*HEADER    DE NOVO PROTEIN                         16-AUG-00   1FME              
*TITLE     SOLUTION STRUCTURE OF FSD-EY, A NOVEL PEPTIDE ASSUMING A              
*TITLE    2 BETA-BETA-ALPHA FOLD                                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: FSD-EY PEPTIDE;                                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: POINT MUTANT OF SEQUENCE GENERATED BY ORBIT           
*SOURCE   4 DESIGN PROCESS                                                       
*KEYWDS    BETA-BETA-ALPHA, ZINC FINGER, FSD-1, DESIGNED PROTEIN                 
*EXPDTA    NMR, 34 STRUCTURES                                                    
*AUTHOR    C.A.SARISKY, S.L.MAYO                                                 
*REVDAT   1   21-APR-01 1FME    0                                                

! ANSIG v3.3 XPLOR distance restraints file
! No distance corrections applied.
! Trivial distances not output.

! residue 1    Glu , intraresidue NOEs

! residue 1    Glu , NOEs forward in sequence
assi (resi 1    and name HA   )  (resi 2    and name HN   )   3.00  1.20  0.30

! residue 2    Gln , intraresidue NOEs
! trivial: assi (resi 2    and name HN   )  (resi 2    and name HA   )   4.00  2.20  1.00
assi (resi 2    and name HN   )  (resi 2    and name HB#  )   4.00  2.20  1.00
assi (resi 2    and name HN   )  (resi 2    and name HG#  )   4.00  2.20  1.00
assi (resi 2    and name HG#  )  (resi 2    and name HE2# )   4.00  2.20  1.00
! trivial: assi (resi 2    and name HE2# )  (resi 2    and name HE2# )   2.50  0.70  0.20

! residue 2    Gln , NOEs forward in sequence
assi (resi 2    and name HN   )  (resi 3    and name HN   )   4.00  2.20  1.00
assi (resi 2    and name HA   )  (resi 3    and name HN   )   2.50  0.70  0.20
assi (resi 2    and name HB#  )  (resi 3    and name HN   )   4.00  2.20  1.00
assi (resi 2    and name HG#  )  (resi 3    and name HN   )   4.00  2.20  1.00
assi (resi 2    and name HG#  )  (resi 3    and name HE#  )   4.00  2.20  1.00

! residue 3    Tyr , intraresidue NOEs
assi (resi 3    and name HN   )  (resi 3    and name HA   )   3.00  1.20  0.30
assi (resi 3    and name HN   )  (resi 3    and name HB#  )   2.50  0.70  0.20
assi (resi 3    and name HN   )  (resi 3    and name HD#  )   4.00  2.20  1.00
assi (resi 3    and name HN   )  (resi 3    and name HE#  )   4.00  2.20  1.00
assi (resi  3   and name HA  ) (resi  3   and name HD#   )  4.00  2.20  1.00
assi (resi  3   and name HA  ) (resi  3   and name HE# )  4.00  2.20  2.00
assi (resi 3    and name HB#  )  (resi 3    and name HD#  )   2.50  0.70  0.20
assi (resi 3    and name HB#  )  (resi 3    and name HE#  )   4.00  2.20  1.00
! trivial: assi (resi 3    and name HD#  )  (resi 3    and name HE#  )   2.50  0.70  0.20

! residue 3    Tyr , NOEs forward in sequence
assi (resi 3    and name HN   )  (resi 4    and name HN   )   4.00  2.20  1.00
assi (resi 3    and name HA   )  (resi 4    and name HN   )   2.50  0.70  0.20
assi (resi 3    and name HB#  )  (resi 4    and name HN   )   4.00  2.20  1.00
assi (resi 3    and name HD#  )  (resi 4    and name HN   )   4.00  2.20  1.00
assi (resi 3    and name HD#  )  (resi 5    and name HN   )   4.00  2.20  1.00
assi (resi 3    and name HD#  )  (resi 5    and name HB#  )   3.00  1.20 0.8
assi (resi 3    and name HE#  )  (resi 5    and name HN   )   4.00  2.20  1.00
assi (resi 3    and name HE#  )  (resi 5    and name HB#  )   4.00  2.20 1.5
assi (resi 3    and name HD#  )  (resi 11   and name HG2# )   4.00  2.20 1.5
assi (resi 3    and name HE#  )  (resi 12   and name HB1  )   4.00  2.20  1.00
assi (resi 3    and name HE#  )  (resi 12   and name HB2  )   4.00  2.20  1.00
assi (resi 3    and name HD#  )  (resi 14   and name HN   )   4.00  2.20  1.00
assi (resi 3    and name HE#  )  (resi 14   and name HN   )   4.00  2.20  1.00
assi (resi 3    and name HE#  )  (resi 15   and name HA   )   4.00  2.20  1.00
assi (resi 3    and name HE#  )  (resi 15   and name HB#  )   4.00  2.20  1.00
assi (resi 3    and name HE#  )  (resi 15   and name HG#  )   4.00  2.20  1.00
assi (resi 3    and name HE#  )  (resi 18   and name HB#  )   4.00  2.20  1.00
assi (resi 3    and name HE#  )  (resi 18   and name HD#  )   4.00  2.20 1.5

! residue 4    Thr , intraresidue NOEs
assi (resi 4    and name HN   )  (resi 4    and name HA   )   3.00  1.20  0.30
assi (resi 4    and name HN   )  (resi 4    and name HB   )   4.00  2.20  1.00
assi (resi 4    and name HN   )  (resi 4    and name HG2# )   4.00  2.20 1.5
! trivial: assi (resi 4    and name HA   )  (resi 4    and name HB   )   4.00  2.20  1.00
assi (resi 4    and name HA   )  (resi 4    and name HG2# )   3.00  1.20 0.8
! trivial: assi (resi 4    and name HB   )  (resi 4    and name HG2# )   2.50  0.70  0.20

! residue 4    Thr , NOEs forward in sequence
assi (resi  4   and name HN  ) (resi  5   and name HN    )  4.00  2.20  1.00
assi (resi 4    and name HB   )  (resi 5    and name HN   )   4.00  2.20  1.00
assi (resi 4    and name HG2# )  (resi 5    and name HN   )   4.00  2.20 1.5
assi (resi 4    and name HA   )  (resi 11   and name HG2# )   4.00  2.20 1.5
assi (resi 4    and name HG2# )  (resi 11   and name HB   )   4.00  2.20 1.5

! residue 5    Ala , intraresidue NOEs
assi (resi 5    and name HN   )  (resi 5    and name HA   )   2.50  0.70  0.20
assi (resi 5    and name HN   )  (resi 5    and name HB#  )   2.50  0.70 0.7
! trivial: assi (resi 5    and name HA   )  (resi 5    and name HB#  )   2.50  0.70  0.20

! residue 5    Ala , NOEs forward in sequence
assi (resi 5    and name HA   )  (resi 6    and name HN   )   2.50  0.70  0.20
assi (resi 5    and name HB#  )  (resi 6    and name HN   )   3.00  1.20 0.8
assi (resi  5   and name HB# ) (resi  7   and name HD#   )  4.00  2.20 1.5
assi (resi 5    and name HN   )  (resi 11   and name HG2# )   4.00  2.20 1.5
assi (resi 5    and name HN   )  (resi 12   and name HN   )   4.00  2.20  1.00
assi (resi 5    and name HN   )  (resi 12   and name HB2  )   4.00  2.20  1.00
assi (resi 5    and name HB#  )  (resi 12   and name HN   )   4.00  2.20 1.5
assi (resi 5    and name HB#  )  (resi 12   and name HB1  )   4.00  2.20 1.5
assi (resi 5    and name HB#  )  (resi 12   and name HD#  )   3.00  1.20 0.8
assi (resi 5    and name HB#  )  (resi 18   and name HD#  )   4.00  2.20 1.5
assi (resi 5    and name HB#  )  (resi 18   and name HD#  )   4.00  2.20 1.5

! residue 6    Lys , intraresidue NOEs
assi (resi  6   and name HN  ) (resi  6   and name HB# )  3.00  1.20  0.30
assi (resi 6    and name HN   )  (resi 6    and name HG#  )   4.00  2.20  1.00

! residue 6    Lys , NOEs forward in sequence
assi (resi 6    and name HA   )  (resi 7    and name HD#  )   4.00  2.20  1.00
assi (resi 6    and name HA   )  (resi 7    and name HE#  )   4.00  2.20  1.00
assi (resi 6    and name HB#  )  (resi 7    and name HN   )   3.00  1.20  0.30
assi (resi 6    and name HG#  )  (resi 7    and name HN   )   4.00  2.20  1.00
assi (resi 6    and name HB#  )  (resi 11   and name HA   )   3.00  1.20  0.30
assi (resi 6    and name HG#  )  (resi 11   and name HA   )   4.00  2.20  1.00

! residue 7    Tyr , intraresidue NOEs
assi (resi 7    and name HN   )  (resi 7    and name HB#  )   3.00  1.20  0.30
assi (resi 7    and name HN   )  (resi 7    and name HD#  )   4.00  2.20  1.00
! trivial: assi (resi 7    and name HA   )  (resi 7    and name HB#  )   4.00  2.20  1.00
assi (resi  7   and name HA  ) (resi  7   and name HD# )  3.00  1.20  0.30
assi (resi 7    and name HA   )  (resi 7    and name HE#  )   4.00  2.20  1.00
! trivial: assi (resi 7    and name HB#  )  (resi 7    and name HB#  )   2.50  0.70  0.20
assi (resi 7    and name HB#  )  (resi 7    and name HD#  )   2.50  0.70  0.20
assi (resi 7    and name HB#  )  (resi 7    and name HE#  )   4.00  2.20  1.00
! trivial: assi (resi 7    and name HD#  )  (resi 7    and name HE#  )   2.50  0.70  0.20

! residue 7    Tyr , NOEs forward in sequence
assi (resi 7    and name HB#  )  (resi 8    and name HN   )   4.00  2.20  1.00
assi (resi  7   and name HD# ) (resi  8   and name HN    )  4.00  2.20  1.00
assi (resi 7    and name HN   )  (resi 10   and name HN   )   4.00  2.20  1.00
assi (resi 7    and name HN   )  (resi 12   and name HD#  )   4.00  2.20  1.00
assi (resi 7    and name HB#  )  (resi 12   and name HE#  )   2.50  0.70  0.20
assi (resi  7   and name HD# ) (resi 12   and name HZ    )  4.00  2.20  1.00
assi (resi 7    and name HE#  )  (resi 12   and name HB2  )   3.00  1.20  0.30
assi (resi 7    and name HB#  )  (resi 18   and name HD#  )   4.00  2.20 1.5
assi (resi  7   and name HD# ) (resi 18   and name HD#   )  4.00  2.20 1.5
assi (resi 7    and name HE#  )  (resi 18   and name HD#  )   4.00  2.20 1.5
assi (resi  7   and name HD# ) (resi 21   and name HD#   )  4.00  2.20  1.00
assi (resi  7   and name HE# ) (resi 21   and name HD#   )  4.00  2.20  1.00
assi (resi 7    and name HB#  )  (resi 22   and name HD1# )   4.00  2.20 1.5
assi (resi 7    and name HD#  )  (resi 22   and name HD1# )   4.00  2.20 1.5
assi (resi 7    and name HE#  )  (resi 22   and name HA   )   4.00  2.20  1.00
assi (resi 7    and name HE#  )  (resi 22   and name HG2# )   4.00  2.20 1.5
assi (resi 7    and name HE#  )  (resi 22   and name HD1# )   4.00  2.20 1.5

! residue 8    Lys , intraresidue NOEs
assi (resi 8    and name HN   )  (resi 8    and name HA   )   3.00  1.20  0.30
assi (resi 8    and name HA   )  (resi 8    and name HB#  )   3.00  1.20  0.30
assi (resi 8    and name HA   )  (resi 8    and name HG#  )   4.00  2.20  1.00
assi (resi 8    and name HA   )  (resi 8    and name HD#  )   2.50  0.70  0.20

! residue 8    Lys , NOEs forward in sequence
assi (resi 8    and name HN   )  (resi 9    and name HN   )   4.00  2.20  1.00

! residue 9    Gly , intraresidue NOEs
assi (resi 9    and name HN   )  (resi 9    and name HA#  )   3.00  1.20  0.30

! residue 9    Gly , NOEs forward in sequence
assi (resi 9    and name HN   )  (resi 10   and name HN   )   4.00  2.20  1.00
assi (resi 9    and name HA#  )  (resi 10   and name HN   )   4.00  2.20  1.00

! residue 10   Arg , intraresidue NOEs
assi (resi 10   and name HN   )  (resi 10   and name HA   )   3.00  1.20  0.30
assi (resi 10   and name HN   )  (resi 10   and name HB#  )   3.00  1.20  0.30
assi (resi 10   and name HN   )  (resi 10   and name HG#  )   3.00  1.20  0.30
assi (resi 10   and name HN   )  (resi 10   and name HD#  )   4.00  2.20  1.00
assi (resi 10   and name HA   )  (resi 10   and name HB#  )   2.50  0.70  0.20
assi (resi 10   and name HE   )  (resi 10   and name HG#  )   3.00  1.20  0.30
assi (resi 10   and name HE   )  (resi 10   and name HD#  )   2.50  0.70  0.20

! residue 10   Arg , NOEs forward in sequence
assi (resi 10   and name HA   )  (resi 11   and name HN   )   2.50  0.70  0.20
assi (resi 10   and name HG# ) (resi 11   and name HN    )  4.00  2.20  1.00
assi (resi 10   and name HN   )  (resi 12   and name HE#  )   4.00  2.20  1.00
assi (resi 10   and name HB#  )  (resi 12   and name HZ   )   4.00  2.20  1.00
assi (resi 10   and name HB#  )  (resi 12   and name HE#  )   3.00  1.20  0.30
assi (resi 10   and name HD#  )  (resi 12   and name HZ   )   4.00  2.20  1.00
assi (resi 10   and name HD#  )  (resi 21   and name HE#  )   4.00  2.20  1.00

! residue 11   Thr , intraresidue NOEs
! trivial: assi (resi 11   and name HN   )  (resi 11   and name HA   )   4.00  2.20  1.00
assi (resi 11   and name HN   )  (resi 11   and name HB   )   2.50  0.70  0.20
assi (resi 11   and name HN   )  (resi 11   and name HG2# )   4.00  2.20 1.5
assi (resi 11   and name HA   )  (resi 11   and name HB   )   3.00  1.20  0.30
assi (resi 11   and name HA   )  (resi 11   and name HG2# )   4.00  2.20 1.5
! trivial: assi (resi 11   and name HB   )  (resi 11   and name HG2# )   2.50  0.70  0.20

! residue 11   Thr , NOEs forward in sequence
assi (resi 11   and name HN   )  (resi 12   and name HN   )   4.00  2.20  1.00
assi (resi 11   and name HA   )  (resi 12   and name HN   )   2.50  0.70  0.20
assi (resi 11   and name HA  ) (resi 12   and name HD#   )  4.00  2.20  1.00
assi (resi 11   and name HB   )  (resi 12   and name HN   )   4.00  2.20  1.00
assi (resi 11   and name HG2# )  (resi 12   and name HN   )   4.00  2.20 1.5
assi (resi 11   and name HG2# )  (resi 12   and name HA   )   4.00  2.20 1.5
assi (resi 11   and name HG2# )  (resi 12   and name HD#  )   4.00  2.20 1.5

! residue 12   Phe , intraresidue NOEs
! trivial: assi (resi 12   and name HN   )  (resi 12   and name HA   )   4.00  2.20  1.00
assi (resi 12   and name HN   )  (resi 12   and name HB1  )   4.00  2.20  1.00
assi (resi 12   and name HN   )  (resi 12   and name HB2  )   3.00  1.20  0.30
assi (resi 12   and name HN   )  (resi 12   and name HD#  )   3.00  1.20  0.30
assi (resi 12   and name HA   )  (resi 12   and name HB1  )   3.00  1.20  0.30
assi (resi 12   and name HA   )  (resi 12   and name HB2  )   3.00  1.20  0.30
assi (resi 12   and name HA   )  (resi 12   and name HD#  )   3.00  1.20  0.30
assi (resi 12   and name HA   )  (resi 12   and name HE#  )   4.00  2.20  1.00
assi (resi 12   and name HB1  )  (resi 12   and name HD#  )   2.50  0.70  0.20
assi (resi 12   and name HB2  )  (resi 12   and name HD#  )   2.50  0.70  0.20
! trivial: assi (resi 12   and name HZ   )  (resi 12   and name HD#  )   3.00  1.20  0.30
! trivial: assi (resi 12   and name HZ   )  (resi 12   and name HE#  )   2.50  0.70  0.20

! residue 12   Phe , NOEs forward in sequence
assi (resi 12   and name HA   )  (resi 13   and name HN   )   3.00  1.20  0.30
assi (resi 12   and name HB2  )  (resi 13   and name HN   )   4.00  2.20  1.00
assi (resi 12   and name HD#  )  (resi 13   and name HN   )   4.00  2.20  1.00
assi (resi 12   and name HA   )  (resi 14   and name HN   )   4.00  2.20  1.00
assi (resi 12   and name HB2  )  (resi 14   and name HN   )   4.00  2.20  1.00
assi (resi 12   and name HD#  )  (resi 14   and name HN   )   4.00  2.20  1.00
assi (resi 12   and name HA   )  (resi 17   and name HB1  )   4.00  2.20  1.00
assi (resi 12   and name HA   )  (resi 17   and name HB2  )   4.00  2.20  1.00
assi (resi 12   and name HB1  )  (resi 17   and name HB2  )   4.00  2.20  1.00
assi (resi 12   and name HD#  )  (resi 17   and name HB1  )   3.00  1.20  0.30
assi (resi 12   and name HD#  )  (resi 17   and name HB2  )   4.00  2.20  1.00
assi (resi 12   and name HD#  )  (resi 17   and name HG#  )   4.00  2.20  1.00
assi (resi 12   and name HB1  )  (resi 18   and name HB#  )   3.00  1.20  0.30
assi (resi 12   and name HB1  )  (resi 18   and name HD#  )   4.00  2.20 1.5
assi (resi 12   and name HB2  )  (resi 18   and name HB#  )   4.00  2.20  1.00
assi (resi 12   and name HD#  )  (resi 18   and name HD#  )   3.00  1.20 0.8
assi (resi 12   and name HE#  )  (resi 18   and name HD#  )   4.00  2.20 1.5
assi (resi 12   and name HZ   )  (resi 21   and name HB2  )   4.00  2.20  1.00
assi (resi 12   and name HZ   )  (resi 21   and name HD#  )   4.00  2.20  1.00
assi (resi 12   and name HE#  )  (resi 21   and name HB1  )   3.00  1.20  0.30
assi (resi 12   and name HE#  )  (resi 21   and name HB2  )   2.50  0.70  0.20
assi (resi 12   and name HE# ) (resi 21   and name HD#   )  4.00  2.20  1.00

! residue 13   Arg , intraresidue NOEs
! trivial: assi (resi 13   and name HN   )  (resi 13   and name HA   )   4.00  2.20  1.00
assi (resi 13   and name HN   )  (resi 13   and name HB#  )   3.00  1.20  0.30
assi (resi 13   and name HN   )  (resi 13   and name HG#  )   4.00  2.20  1.00
assi (resi 13   and name HN   )  (resi 13   and name HD#  )   4.00  2.20  1.00
assi (resi 13   and name HE   )  (resi 13   and name HG#  )   4.00  2.20  1.00
assi (resi 13   and name HE   )  (resi 13   and name HD#  )   2.50  0.70  0.20

! residue 13   Arg , NOEs forward in sequence
assi (resi 13   and name HN   )  (resi 14   and name HN   )   4.00  2.20  1.00
assi (resi 13   and name HA   )  (resi 14   and name HN   )   4.00  2.20  1.00

! residue 14   Asn , intraresidue NOEs
! trivial: assi (resi 14   and name HN   )  (resi 14   and name HA   )   4.00  2.20  1.00
assi (resi 14   and name HN   )  (resi 14   and name HB#  )   3.00  1.20  0.30
! trivial: assi (resi 14   and name HD21 )  (resi 14   and name HD22 )   2.50  0.70  0.20
assi (resi 14   and name HD21 )  (resi 14   and name HB#  )   2.50  0.70  0.20
assi (resi 14   and name HD22 )  (resi 14   and name HB#  )   4.00  2.20  1.00

! residue 14   Asn , NOEs forward in sequence
assi (resi 14   and name HN   )  (resi 15   and name HN   )   4.00  2.20  1.00
assi (resi 14   and name HA   )  (resi 15   and name HN   )   2.50  0.70  0.20
assi (resi 14   and name HD21 )  (resi 15   and name HB#  )   4.00  2.20  1.00
assi (resi 14   and name HB# ) (resi 15   and name HN    )  4.00  2.20  1.00
assi (resi 14   and name HB#  )  (resi 16   and name HN   )   4.00  2.20  1.00
assi (resi 14   and name HN   )  (resi 17   and name HN   )   4.00  2.20  1.00
assi (resi 14   and name HN   )  (resi 17   and name HB1  )   4.00  2.20  1.00
assi (resi 14   and name HN   )  (resi 17   and name HB2  )   4.00  2.20  1.00
assi (resi 14   and name HD22 )  (resi 17   and name HG#  )   4.00  2.20  1.00
assi (resi 14   and name HB#  )  (resi 17   and name HN   )   4.00  2.20  1.00
assi (resi 14   and name HN   )  (resi 18   and name HN   )   4.00  2.20  1.00

! residue 15   Glu , intraresidue NOEs
assi (resi 15   and name HN   )  (resi 15   and name HA   )   3.00  1.20  0.30
assi (resi 15   and name HN   )  (resi 15   and name HB#  )   2.50  0.70  0.20
assi (resi 15   and name HN   )  (resi 15   and name HG#  )   4.00  2.20  1.00
assi (resi 15   and name HA   )  (resi 15   and name HG#  )   3.00  1.20  0.30

! residue 15   Glu , NOEs forward in sequence
assi (resi 15   and name HN   )  (resi 16   and name HN   )   4.00  2.20  1.00
assi (resi 15   and name HN   )  (resi 16   and name HB#  )   4.00  2.20  1.00
assi (resi 15   and name HB#  )  (resi 16   and name HN   )   3.00  1.20  0.30
assi (resi 15   and name HA   )  (resi 18   and name HN   )   4.00  2.20  1.00

! residue 16   Lys , intraresidue NOEs
assi (resi 16   and name HN   )  (resi 16   and name HA   )   2.50  0.70  0.20
assi (resi 16   and name HN   )  (resi 16   and name HB#  )   2.50  0.70  0.20
assi (resi 16   and name HG#  )  (resi 16   and name HE#  )   3.00  1.20  0.30

! residue 16   Lys , NOEs forward in sequence
assi (resi 16   and name HA   )  (resi 17   and name HN   )   3.00  1.20  0.30
assi (resi 16   and name HB#  )  (resi 17   and name HN   )   2.50  0.70  0.20
assi (resi 16   and name HN   )  (resi 18   and name HN   )   4.00  2.20  1.00
assi (resi 16   and name HA   )  (resi 19   and name HN   )   4.00  2.20  1.00
assi (resi 16   and name HA   )  (resi 20   and name HN   )   4.00  2.20  1.00

! residue 17   Glu , intraresidue NOEs
assi (resi 17   and name HN   )  (resi 17   and name HA   )   3.00  1.20  0.30
assi (resi 17   and name HN   )  (resi 17   and name HB1  )   4.00  2.20  1.00
assi (resi 17   and name HN   )  (resi 17   and name HB2  )   3.00  1.20  0.30
assi (resi 17   and name HN   )  (resi 17   and name HG#  )   3.00  1.20  0.30
assi (resi 17   and name HA   )  (resi 17   and name HB1  )   3.00  1.20  0.30
assi (resi 17   and name HA   )  (resi 17   and name HB2  )   3.00  1.20  0.30
assi (resi 17   and name HA   )  (resi 17   and name HG#  )   3.00  1.20  0.30

! residue 17   Glu , NOEs forward in sequence
assi (resi 17   and name HN   )  (resi 18   and name HN   )   3.00  1.20  0.30
assi (resi 17   and name HA   )  (resi 18   and name HN   )   4.00  2.20  1.00
assi (resi 17   and name HB1  )  (resi 18   and name HN   )   4.00  2.20  1.00
assi (resi 17   and name HB2  )  (resi 18   and name HN   )   4.00  2.20  1.00
assi (resi 17   and name HA   )  (resi 20   and name HN   )   4.00  2.20  1.00
assi (resi 17   and name HA   )  (resi 20   and name HB#  )   3.00  1.20  0.30
assi (resi 17   and name HA   )  (resi 21   and name HN   )   4.00  2.20  1.00

! residue 18   Leu , intraresidue NOEs
assi (resi 18   and name HN   )  (resi 18   and name HG   )   4.00  2.20  1.00
assi (resi 18   and name HN   )  (resi 18   and name HB#  )   2.50  0.70  0.20
assi (resi 18   and name HA   )  (resi 18   and name HG   )   4.00  2.20  1.00
assi (resi 18   and name HA   )  (resi 18   and name HB#  )   3.00  1.20  0.30
assi (resi 18   and name HA   )  (resi 18   and name HD#  )   3.00  1.20 0.8
assi (resi 18   and name HB#  )  (resi 18   and name HD#  )   4.00  2.20 1.5

! residue 18   Leu , NOEs forward in sequence
assi (resi 18   and name HN   )  (resi 19   and name HN   )   4.00  2.20  1.00
assi (resi 18   and name HA   )  (resi 19   and name HN   )   4.00  2.20  1.00
assi (resi 18   and name HG   )  (resi 19   and name HN   )   4.00  2.20  1.00
assi (resi 18   and name HG   )  (resi 19   and name HA   )   4.00  2.20  1.00
assi (resi 18   and name HB#  )  (resi 19   and name HN   )   4.00  2.20  1.00
assi (resi 18   and name HN   )  (resi 20   and name HN   )   4.00  2.20  1.00
assi (resi 18   and name HN  ) (resi 21   and name HB1   )  4.00  2.20  1.00
assi (resi 18   and name HN  ) (resi 21   and name HB2   )  4.00  2.20  1.00
assi (resi 18   and name HD#  )  (resi 21   and name HD#  )   4.00  2.20 1.5
assi (resi 18   and name HG   )  (resi 22   and name HD1# )   4.00  2.20 1.5
assi (resi 18   and name HD#  )  (resi 22   and name HN   )   4.00  2.20 1.5
assi (resi 18   and name HD#  )  (resi 22   and name HG1# )   4.00  2.20 1.5

! residue 19   Arg , intraresidue NOEs
assi (resi 19   and name HN   )  (resi 19   and name HA   )   3.00  1.20  0.30
assi (resi 19   and name HN   )  (resi 19   and name HB#  )   2.50  0.70  0.20
assi (resi 19   and name HN   )  (resi 19   and name HG#  )   2.50  0.70  0.20
assi (resi 19   and name HA   )  (resi 19   and name HB#  )   2.50  0.70  0.20
assi (resi 19   and name HA   )  (resi 19   and name HG#  )   2.50  0.70  0.20
assi (resi 19   and name HE   )  (resi 19   and name HG#  )   4.00  2.20  1.00
assi (resi 19   and name HE   )  (resi 19   and name HD#  )   2.50  0.70  0.20

! residue 19   Arg , NOEs forward in sequence
assi (resi 19   and name HN   )  (resi 20   and name HN   )   3.00  1.20  0.30
assi (resi 19   and name HA  ) (resi 20   and name HN    )  4.00  2.20  1.00
assi (resi 19   and name HB#  )  (resi 20   and name HN   )   3.00  1.20  0.30
assi (resi 19   and name HG#  )  (resi 20   and name HN   )   4.00  2.20  1.00
assi (resi 19   and name HA   )  (resi 21   and name HN   )   4.00  2.20  1.00
assi (resi 19   and name HA   )  (resi 22   and name HN   )   4.00  2.20  1.00
assi (resi 19   and name HA   )  (resi 22   and name HD1# )   4.00  2.20 1.5
assi (resi 19   and name HA   )  (resi 23   and name HN   )   4.00  2.20  1.00

! residue 20   Asp , intraresidue NOEs
assi (resi 20   and name HN   )  (resi 20   and name HA   )   3.00  1.20  0.30
assi (resi 20   and name HN   )  (resi 20   and name HB#  )   2.50  0.70  0.20
! trivial: assi (resi 20   and name HB#  )  (resi 20   and name HB#  )   2.50  0.70  0.20

! residue 20   Asp , NOEs forward in sequence
assi (resi 20   and name HN   )  (resi 21   and name HN   )   4.00  2.20  1.00
assi (resi 20   and name HN   )  (resi 21   and name HB2  )   4.00  2.20  1.00
assi (resi 20   and name HB#  )  (resi 21   and name HN   )   4.00  2.20  1.00
assi (resi 20   and name HA   )  (resi 23   and name HB#  )   3.00  1.20  0.30
assi (resi 20   and name HA   )  (resi 23   and name HG#  )   4.00  2.20  1.00
assi (resi 20   and name HA   )  (resi 24   and name HN   )   4.00  2.20  1.00

! residue 21   Phe , intraresidue NOEs
assi (resi 21   and name HN   )  (resi 21   and name HA   )   3.00  1.20  0.30
assi (resi 21   and name HN   )  (resi 21   and name HB1  )   2.50  0.70  0.20
assi (resi 21   and name HN   )  (resi 21   and name HB2  )   2.50  0.70  0.20
assi (resi 21   and name HN   )  (resi 21   and name HD#  )   4.00  2.20  1.00
assi (resi 21   and name HA   )  (resi 21   and name HB1  )   3.00  1.20  0.30
assi (resi 21   and name HA   )  (resi 21   and name HD#  )   2.50  0.70  0.20
assi (resi 21   and name HB1  )  (resi 21   and name HD#  )   2.50  0.70  0.20
assi (resi 21   and name HB2  )  (resi 21   and name HD#  )   2.50  0.70  0.20
! assi (resi 21   and name HD#  )  (resi 21   and name HE#  )  undef

! residue 21   Phe , NOEs forward in sequence
assi (resi 21   and name HN   )  (resi 22   and name HN   )   3.00  1.20  0.30
assi (resi 21   and name HA  ) (resi 22   and name HN    )  4.00  2.20  1.00
assi (resi 21   and name HB1  )  (resi 22   and name HN   )   4.00  2.20  1.00
assi (resi 21   and name HB2  )  (resi 22   and name HN   )   3.00  1.20  0.30
assi (resi 21   and name HD#  )  (resi 22   and name HN   )   4.00  2.20  1.00
assi (resi 21   and name HD#  )  (resi 22   and name HA   )   4.00  2.20  1.00
assi (resi 21   and name HD#  )  (resi 22   and name HG2# )   4.00  2.20 1.5
assi (resi 21   and name HD#  )  (resi 22   and name HD1# )   4.00  2.20 1.5
assi (resi 21   and name HD#  )  (resi 22   and name HG1# )   2.50  0.70  0.20
assi (resi 21   and name HN   )  (resi 23   and name HN   )   4.00  2.20  1.00
assi (resi 21   and name HA   )  (resi 24   and name HN   )   4.00  2.20  1.00
assi (resi 21   and name HD#  )  (resi 25   and name HN   )   4.00  2.20  1.00
assi (resi 21   and name HD#  )  (resi 25   and name HB#  )   4.00  2.20  1.00

! residue 22   Ile , intraresidue NOEs
! trivial: assi (resi 22   and name HN   )  (resi 22   and name HA   )   4.00  2.20  1.00
assi (resi 22   and name HN   )  (resi 22   and name HB   )   2.50  0.70  0.20
assi (resi 22   and name HN   )  (resi 22   and name HG2# )   4.00  2.20 1.5
assi (resi 22   and name HN   )  (resi 22   and name HD1# )   4.00  2.20 1.5
assi (resi 22   and name HN   )  (resi 22   and name HG1# )   2.50  0.70  0.20
assi (resi 22   and name HA   )  (resi 22   and name HB   )   3.00  1.20  0.30
assi (resi 22   and name HA   )  (resi 22   and name HG2# )   2.50  0.70 0.7
assi (resi 22   and name HA   )  (resi 22   and name HD1# )   4.00  2.20 1.5
assi (resi 22   and name HA   )  (resi 22   and name HG1# )   3.00  1.20  0.30

! residue 22   Ile , NOEs forward in sequence
assi (resi 22   and name HN   )  (resi 23   and name HN   )   2.50  0.70  0.20
assi (resi 22   and name HA   )  (resi 23   and name HN   )   4.00  2.20  1.00
assi (resi 22   and name HB   )  (resi 23   and name HN   )   2.50  0.70  0.20
assi (resi 22   and name HG2# )  (resi 23   and name HN   )   4.00  2.20 1.5
assi (resi 22   and name HG2# )  (resi 23   and name HA   )   4.00  2.20 1.5
assi (resi 22   and name HA   )  (resi 25   and name HN   )   4.00  2.20  1.00
assi (resi 22   and name HA   )  (resi 25   and name HB#  )   4.00  2.20  1.00
assi (resi 22   and name HA   )  (resi 25   and name HD#  )   4.00  2.20  1.00

! residue 23   Glu , intraresidue NOEs
assi (resi 23   and name HN   )  (resi 23   and name HA   )   3.00  1.20  0.30
assi (resi 23   and name HN   )  (resi 23   and name HB#  )   2.50  0.70  0.20
assi (resi 23   and name HN   )  (resi 23   and name HG#  )   4.00  2.20  1.00

! residue 23   Glu , NOEs forward in sequence
assi (resi 23   and name HN   )  (resi 24   and name HN   )   3.00  1.20  0.30
assi (resi 23   and name HA   )  (resi 24   and name HN   )   4.00  2.20  1.00
assi (resi 23   and name HB#  )  (resi 24   and name HN   )   3.00  1.20  0.30
assi (resi 23   and name HA   )  (resi 26   and name HN   )   4.00  2.20  1.00

! residue 24   Lys , intraresidue NOEs
assi (resi 24   and name HN   )  (resi 24   and name HA   )   3.00  1.20  0.30
assi (resi 24   and name HN   )  (resi 24   and name HB#  )   2.50  0.70  0.20
assi (resi 24   and name HN   )  (resi 24   and name HG#  )   4.00  2.20  1.00
assi (resi 24   and name HA   )  (resi 24   and name HG#  )   3.00  1.20  0.30

! residue 24   Lys , NOEs forward in sequence
assi (resi 24   and name HN   )  (resi 25   and name HN   )   2.50  0.70  0.20
assi (resi 24   and name HA   )  (resi 25   and name HN   )   4.00  2.20  1.00
assi (resi 24   and name HB#  )  (resi 25   and name HN   )   3.00  1.20  0.30

! residue 25   Phe , intraresidue NOEs
assi (resi 25   and name HN   )  (resi 25   and name HA   )   2.50  0.70  0.20
assi (resi 25   and name HN   )  (resi 25   and name HB#  )   3.00  1.20  0.30
assi (resi 25   and name HN   )  (resi 25   and name HD#  )   4.00  2.20  1.00
assi (resi 25   and name HA   )  (resi 25   and name HD#  )   2.50  0.70  0.20
! trivial: assi (resi 25   and name HB#  )  (resi 25   and name HB#  )   2.50  0.70  0.20
assi (resi 25   and name HB#  )  (resi 25   and name HD#  )   2.50  0.70  0.20
! trivial: assi (resi 25   and name HD#  )  (resi 25   and name HE#  )   2.50  0.70  0.20

! residue 25   Phe , NOEs forward in sequence
assi (resi 25   and name HA  ) (resi 26   and name HN  )  3.00  1.20  0.30
assi (resi 25   and name HB#  )  (resi 26   and name HN   )   4.00  2.20  1.00
assi (resi 25   and name HD#  )  (resi 26   and name HN   )   4.00  2.20  1.00
assi (resi 25   and name HE#  )  (resi 27   and name HA#  )   4.00  2.20  1.00

! residue 26   Lys , intraresidue NOEs
assi (resi 26   and name HN   )  (resi 26   and name HA   )   3.00  1.20  0.30
assi (resi 26   and name HN   )  (resi 26   and name HB#  )   2.50  0.70  0.20
assi (resi 26   and name HN   )  (resi 26   and name HG#  )   3.00  1.20  0.30

! residue 26   Lys , NOEs forward in sequence
assi (resi 26   and name HN   )  (resi 27   and name HN   )   3.00  1.20  0.30
assi (resi 26   and name HA   )  (resi 27   and name HN   )   3.00  1.20  0.30
assi (resi 26   and name HB#  )  (resi 27   and name HN   )   3.00  1.20  0.30

! residue 27   Gly , intraresidue NOEs
assi (resi 27   and name HN   )  (resi 27   and name HA#  )   2.50  0.70  0.20

! residue 27   Gly , NOEs forward in sequence
assi (resi 27   and name HN   )  (resi 28   and name HN   )   3.00  1.20  0.30
assi (resi 27   and name HA#  )  (resi 28   and name HN   )   3.00  1.20  0.30

! residue 28   Arg , intraresidue NOEs
assi (resi 28   and name HN   )  (resi 28   and name HA   )   3.00  1.20  0.30
assi (resi 28   and name HN   )  (resi 28   and name HB#  )   3.00  1.20  0.30
assi (resi 28   and name HN   )  (resi 28   and name HD#  )   4.00  2.20  1.00
!
! number of restraints as function of range
! |i-j| = 0 :    122
! |i-j| = 1 :     91
! |i-j| = 2 :     18
! |i-j| = 3 :     22
! |i-j| = 4 :     10
! |i-j| > 4 :     52
! total     :    315


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLU   1          1HT       GLU   1 -14.723   7.404   5.141
    2   2H    GLU   1          2HT       GLU   1 -14.788   8.339   3.723
    3   3H    GLU   1          3HT       GLU   1 -13.332   8.203   4.588
    4    HA   GLU   1           HA       GLU   1 -13.374   5.753   4.113
    5   1HB   GLU   1          2HB       GLU   1 -15.969   6.351   3.533
    6   2HB   GLU   1          1HB       GLU   1 -15.276   6.336   1.911
    7   1HG   GLU   1          2HG       GLU   1 -15.791   4.090   2.148
    8   2HG   GLU   1          1HG       GLU   1 -14.146   4.095   2.786
    9    H    GLN   2           HN       GLN   2 -11.278   6.556   3.474
   10    HA   GLN   2           HA       GLN   2 -10.887   8.161   1.079
   11   1HB   GLN   2          2HB       GLN   2  -9.448   7.628   3.287
   12   2HB   GLN   2          1HB       GLN   2  -8.744   6.419   2.215
   13   1HG   GLN   2          2HG       GLN   2  -7.484   8.012   1.249
   14   2HG   GLN   2          1HG       GLN   2  -8.947   8.841   0.719
   15   1HE2  GLN   2          1HE2      GLN   2 -10.051   9.886   2.982
   16   2HE2  GLN   2          2HE2      GLN   2  -8.960  10.898   3.797
   17    H    TYR   3           HN       TYR   3  -9.063   7.046  -0.494
   18    HA   TYR   3           HA       TYR   3 -10.391   5.232  -2.170
   19   1HB   TYR   3          2HB       TYR   3  -8.077   4.866  -3.113
   20   2HB   TYR   3          1HB       TYR   3  -8.557   6.552  -2.937
   21    HD1  TYR   3           1HD      TYR   3  -7.137   8.022  -1.889
   22    HD2  TYR   3           2HD      TYR   3  -6.829   3.833  -0.981
   23    HE1  TYR   3           1HE      TYR   3  -5.182   8.475  -0.454
   24    HE2  TYR   3           2HE      TYR   3  -4.873   4.297   0.447
   25    HH   TYR   3           HH       TYR   3  -4.102   7.182   1.645
   26    H    THR   4           HN       THR   4 -10.141   2.979  -2.559
   27    HA   THR   4           HA       THR   4  -9.253   1.416  -0.161
   28    HB   THR   4           HB       THR   4 -10.863  -0.285  -1.255
   29    HG1  THR   4           1HG      THR   4 -11.537   0.322  -3.130
   30   1HG2  THR   4          1HG2      THR   4 -11.313   1.936   0.448
   31   2HG2  THR   4          2HG2      THR   4 -12.289   0.474   0.311
   32   3HG2  THR   4          3HG2      THR   4 -12.671   1.884  -0.676
   33    H    ALA   5           HN       ALA   5  -7.297   2.222  -2.044
   34    HA   ALA   5           HA       ALA   5  -6.690   0.615  -4.236
   35   1HB   ALA   5          1HB       ALA   5  -5.459   2.557  -2.801
   36   2HB   ALA   5          2HB       ALA   5  -4.628   1.595  -4.025
   37   3HB   ALA   5          3HB       ALA   5  -4.489   1.159  -2.316
   38    H    LYS   6           HN       LYS   6  -6.215  -1.559  -4.467
   39    HA   LYS   6           HA       LYS   6  -5.460  -3.073  -1.990
   40   1HB   LYS   6          2HB       LYS   6  -6.496  -5.028  -3.222
   41   2HB   LYS   6          1HB       LYS   6  -7.631  -3.760  -2.759
   42   1HG   LYS   6          2HG       LYS   6  -8.038  -3.152  -4.916
   43   2HG   LYS   6          1HG       LYS   6  -6.371  -3.426  -5.416
   44   1HD   LYS   6          2HD       LYS   6  -6.997  -5.383  -6.339
   45   2HD   LYS   6          1HD       LYS   6  -7.425  -5.975  -4.734
   46   1HE   LYS   6          2HE       LYS   6  -9.516  -6.157  -5.690
   47   2HE   LYS   6          1HE       LYS   6  -9.611  -4.431  -5.284
   48   1HZ   LYS   6          1HZ       LYS   6 -10.075  -4.762  -7.627
   49   2HZ   LYS   6          2HZ       LYS   6  -8.597  -5.574  -7.835
   50   3HZ   LYS   6          3HZ       LYS   6  -8.613  -3.922  -7.440
   51    H    TYR   7           HN       TYR   7  -3.666  -4.392  -2.123
   52    HA   TYR   7           HA       TYR   7  -2.179  -4.405  -4.728
   53   1HB   TYR   7          2HB       TYR   7  -1.318  -3.841  -1.890
   54   2HB   TYR   7          1HB       TYR   7  -0.154  -4.299  -3.125
   55    HD1  TYR   7           1HD      TYR   7   0.709  -2.702  -4.555
   56    HD2  TYR   7           2HD      TYR   7  -2.949  -1.935  -2.468
   57    HE1  TYR   7           1HE      TYR   7   0.731  -0.383  -5.395
   58    HE2  TYR   7           2HE      TYR   7  -2.953   0.398  -3.287
   59    HH   TYR   7           HH       TYR   7  -2.007   1.693  -5.125
   60    H    LYS   8           HN       LYS   8  -1.751  -5.933  -1.520
   61    HA   LYS   8           HA       LYS   8  -1.642  -8.600  -2.896
   62   1HB   LYS   8          2HB       LYS   8   0.010  -7.217  -0.841
   63   2HB   LYS   8          1HB       LYS   8  -0.256  -8.943  -0.590
   64   1HG   LYS   8          2HG       LYS   8   0.671  -7.814  -3.238
   65   2HG   LYS   8          1HG       LYS   8   1.796  -8.328  -1.980
   66   1HD   LYS   8          2HD       LYS   8  -0.398 -10.160  -2.942
   67   2HD   LYS   8          1HD       LYS   8   1.144 -10.062  -3.794
   68   1HE   LYS   8          2HE       LYS   8   2.359 -10.900  -1.951
   69   2HE   LYS   8          1HE       LYS   8   1.057 -10.518  -0.807
   70   1HZ   LYS   8          1HZ       LYS   8  -0.361 -12.117  -1.946
   71   2HZ   LYS   8          2HZ       LYS   8   1.045 -12.874  -1.365
   72   3HZ   LYS   8          3HZ       LYS   8   0.898 -12.502  -3.016
   73    H    GLY   9           HN       GLY   9  -4.142  -7.963  -2.292
   74   1HA   GLY   9          2HA       GLY   9  -6.004  -8.766  -1.099
   75   2HA   GLY   9          1HA       GLY   9  -4.899  -9.790  -0.177
   76    H    ARG  10           HN       ARG  10  -4.452  -6.321  -0.420
   77    HA   ARG  10           HA       ARG  10  -5.541  -5.915   2.329
   78   1HB   ARG  10          2HB       ARG  10  -2.733  -5.250   1.371
   79   2HB   ARG  10          1HB       ARG  10  -3.387  -4.859   2.962
   80   1HG   ARG  10          2HG       ARG  10  -3.790  -7.318   3.326
   81   2HG   ARG  10          1HG       ARG  10  -2.928  -7.627   1.819
   82   1HD   ARG  10          2HD       ARG  10  -0.984  -6.279   2.816
   83   2HD   ARG  10          1HD       ARG  10  -1.831  -6.418   4.369
   84    HE   ARG  10           HE       ARG  10  -1.167  -8.838   2.739
   85   1HH1  ARG  10          1HH1      ARG  10   0.735  -7.576   4.873
   86   2HH1  ARG  10          2HH1      ARG  10   0.428  -8.640   6.205
   87   1HH2  ARG  10          1HH2      ARG  10  -2.437 -10.000   4.804
   88   2HH2  ARG  10          2HH2      ARG  10  -1.366 -10.012   6.166
   89    H    THR  11           HN       THR  11  -7.011  -4.266   1.887
   90    HA   THR  11           HA       THR  11  -6.651  -2.336  -0.237
   91    HB   THR  11           HB       THR  11  -8.404  -2.240   2.244
   92    HG1  THR  11           1HG      THR  11  -9.706  -3.559   1.217
   93   1HG2  THR  11          1HG2      THR  11  -9.487  -0.470   1.297
   94   2HG2  THR  11          2HG2      THR  11  -9.287  -1.097  -0.339
   95   3HG2  THR  11          3HG2      THR  11  -7.959  -0.238   0.443
   96    H    PHE  12           HN       PHE  12  -5.965  -0.120  -0.018
   97    HA   PHE  12           HA       PHE  12  -4.490   0.490   2.517
   98   1HB   PHE  12          2HB       PHE  12  -4.035   1.151  -0.411
   99   2HB   PHE  12          1HB       PHE  12  -3.214   2.042   0.885
  100    HD1  PHE  12           1HD      PHE  12  -1.401   1.040   2.120
  101    HD2  PHE  12           2HD      PHE  12  -3.801  -1.281  -0.568
  102    HE1  PHE  12           1HE      PHE  12   0.215  -0.840   2.313
  103    HE2  PHE  12           2HE      PHE  12  -2.217  -3.186  -0.337
  104    HZ   PHE  12           HZ       PHE  12  -0.203  -2.957   1.091
  105    H    ARG  13           HN       ARG  13  -5.375   2.077   3.719
  106    HA   ARG  13           HA       ARG  13  -7.125   4.116   2.381
  107   1HB   ARG  13          2HB       ARG  13  -7.873   2.234   4.168
  108   2HB   ARG  13          1HB       ARG  13  -7.342   3.489   5.290
  109   1HG   ARG  13          2HG       ARG  13  -9.516   4.185   4.999
  110   2HG   ARG  13          1HG       ARG  13  -8.781   5.026   3.634
  111   1HD   ARG  13          2HD       ARG  13 -10.674   3.906   2.701
  112   2HD   ARG  13          1HD       ARG  13  -9.299   2.862   2.285
  113    HE   ARG  13           HE       ARG  13 -10.033   1.293   3.929
  114   1HH1  ARG  13          1HH1      ARG  13 -12.788   1.970   3.083
  115   2HH1  ARG  13          2HH1      ARG  13 -13.555   2.393   4.577
  116   1HH2  ARG  13          1HH2      ARG  13 -10.571   2.829   6.290
  117   2HH2  ARG  13          2HH2      ARG  13 -12.299   2.879   6.394
  118    H    ASN  14           HN       ASN  14  -4.217   4.258   2.760
  119    HA   ASN  14           HA       ASN  14  -4.050   6.866   4.078
  120   1HB   ASN  14          2HB       ASN  14  -3.964   4.724   5.741
  121   2HB   ASN  14          1HB       ASN  14  -2.256   4.841   5.315
  122   1HD2  ASN  14          1HD2      ASN  14  -1.111   6.836   5.898
  123   2HD2  ASN  14          2HD2      ASN  14  -1.750   7.903   7.052
  124    H    GLU  15           HN       GLU  15  -2.522   7.968   2.928
  125    HA   GLU  15           HA       GLU  15  -0.941   6.811   0.857
  126   1HB   GLU  15          2HB       GLU  15  -1.697   9.300   1.634
  127   2HB   GLU  15          1HB       GLU  15  -0.012   9.315   2.162
  128   1HG   GLU  15          2HG       GLU  15   0.354   8.251  -0.267
  129   2HG   GLU  15          1HG       GLU  15  -1.135   9.137  -0.598
  130    H    LYS  16           HN       LYS  16  -0.192   7.495   4.255
  131    HA   LYS  16           HA       LYS  16   2.607   7.164   4.220
  132   1HB   LYS  16          2HB       LYS  16   1.058   7.943   6.085
  133   2HB   LYS  16          1HB       LYS  16   0.724   6.237   6.387
  134   1HG   LYS  16          2HG       LYS  16   3.394   6.102   6.376
  135   2HG   LYS  16          1HG       LYS  16   3.229   7.791   6.858
  136   1HD   LYS  16          2HD       LYS  16   2.344   7.263   8.898
  137   2HD   LYS  16          1HD       LYS  16   1.446   5.882   8.265
  138   1HE   LYS  16          2HE       LYS  16   3.994   4.974   7.948
  139   2HE   LYS  16          1HE       LYS  16   4.185   5.981   9.398
  140   1HZ   LYS  16          1HZ       LYS  16   3.417   3.699   9.906
  141   2HZ   LYS  16          2HZ       LYS  16   2.008   3.998   9.005
  142   3HZ   LYS  16          3HZ       LYS  16   2.325   4.892  10.414
  143    H    GLU  17           HN       GLU  17   0.047   4.789   4.511
  144    HA   GLU  17           HA       GLU  17   1.739   2.476   4.919
  145   1HB   GLU  17          2HB       GLU  17  -1.100   2.920   3.954
  146   2HB   GLU  17          1HB       GLU  17  -0.428   1.311   4.214
  147   1HG   GLU  17          2HG       GLU  17  -0.504   3.485   6.323
  148   2HG   GLU  17          1HG       GLU  17  -1.690   2.185   6.192
  149    H    LEU  18           HN       LEU  18  -0.142   3.511   2.064
  150    HA   LEU  18           HA       LEU  18   0.872   1.659   0.193
  151   1HB   LEU  18          2HB       LEU  18  -1.000   3.565   0.196
  152   2HB   LEU  18          1HB       LEU  18   0.271   4.491  -0.597
  153    HG   LEU  18           HG       LEU  18   0.478   2.747  -2.318
  154   1HD1  LEU  18          1HD1      LEU  18  -0.814   1.123  -0.438
  155   2HD1  LEU  18          2HD1      LEU  18  -0.413   0.662  -2.077
  156   3HD1  LEU  18          3HD1      LEU  18  -2.001   1.331  -1.706
  157   1HD2  LEU  18          1HD2      LEU  18  -2.346   3.735  -1.847
  158   2HD2  LEU  18          2HD2      LEU  18  -1.756   3.087  -3.378
  159   3HD2  LEU  18          3HD2      LEU  18  -1.073   4.578  -2.729
  160    H    ARG  19           HN       ARG  19   2.142   4.886   1.039
  161    HA   ARG  19           HA       ARG  19   4.270   4.944  -0.874
  162   1HB   ARG  19          2HB       ARG  19   3.803   6.187   1.842
  163   2HB   ARG  19          1HB       ARG  19   5.236   6.557   0.883
  164   1HG   ARG  19          2HG       ARG  19   2.644   6.717  -0.555
  165   2HG   ARG  19          1HG       ARG  19   2.920   7.951   0.675
  166   1HD   ARG  19          2HD       ARG  19   4.693   8.898  -0.477
  167   2HD   ARG  19          1HD       ARG  19   5.156   7.360  -1.231
  168    HE   ARG  19           HE       ARG  19   2.627   8.753  -2.007
  169   1HH1  ARG  19          1HH1      ARG  19   4.562   6.188  -2.802
  170   2HH1  ARG  19          2HH1      ARG  19   4.782   6.614  -4.467
  171   1HH2  ARG  19          1HH2      ARG  19   3.361   9.759  -4.125
  172   2HH2  ARG  19          2HH2      ARG  19   4.100   8.636  -5.216
  173    H    ASP  20           HN       ASP  20   3.882   3.142   2.086
  174    HA   ASP  20           HA       ASP  20   6.794   2.527   2.225
  175   1HB   ASP  20          2HB       ASP  20   5.325   3.256   4.199
  176   2HB   ASP  20          1HB       ASP  20   4.563   1.669   4.082
  177    H    PHE  21           HN       PHE  21   3.659   1.063   1.498
  178    HA   PHE  21           HA       PHE  21   4.496  -1.702   1.602
  179   1HB   PHE  21          2HB       PHE  21   2.165  -0.961   1.678
  180   2HB   PHE  21          1HB       PHE  21   2.271  -0.334   0.047
  181    HD1  PHE  21           1HD      PHE  21   2.171  -1.802  -1.867
  182    HD2  PHE  21           2HD      PHE  21   2.538  -3.370   2.103
  183    HE1  PHE  21           1HE      PHE  21   1.748  -4.089  -2.736
  184    HE2  PHE  21           2HE      PHE  21   2.093  -5.666   1.247
  185    HZ   PHE  21           HZ       PHE  21   1.702  -6.021  -1.179
  186    H    ILE  22           HN       ILE  22   3.521  -0.008  -1.377
  187    HA   ILE  22           HA       ILE  22   4.730  -1.648  -3.270
  188    HB   ILE  22           HB       ILE  22   4.317   1.359  -3.242
  189   1HG1  ILE  22          2HG1      ILE  22   2.455   0.145  -4.888
  190   2HG1  ILE  22          1HG1      ILE  22   2.622  -1.020  -3.582
  191   1HG2  ILE  22          1HG2      ILE  22   4.292   1.096  -5.739
  192   2HG2  ILE  22          2HG2      ILE  22   4.857  -0.560  -5.525
  193   3HG2  ILE  22          3HG2      ILE  22   5.879   0.790  -5.030
  194   1HD1  ILE  22          1HD1      ILE  22   1.555   0.309  -2.116
  195   2HD1  ILE  22          2HD1      ILE  22   1.027   1.226  -3.526
  196   3HD1  ILE  22          3HD1      ILE  22   2.456   1.737  -2.628
  197    H    GLU  23           HN       GLU  23   6.190   0.901  -1.329
  198    HA   GLU  23           HA       GLU  23   8.724   1.053  -2.725
  199   1HB   GLU  23          2HB       GLU  23   7.679   2.724  -1.120
  200   2HB   GLU  23          1HB       GLU  23   8.108   1.624   0.191
  201   1HG   GLU  23          2HG       GLU  23  10.478   1.770  -0.435
  202   2HG   GLU  23          1HG       GLU  23  10.070   2.832  -1.783
  203    H    LYS  24           HN       LYS  24   7.447  -0.970  -0.130
  204    HA   LYS  24           HA       LYS  24  10.068  -2.232   0.388
  205   1HB   LYS  24          2HB       LYS  24   7.371  -2.075   1.576
  206   2HB   LYS  24          1HB       LYS  24   8.119  -3.666   1.719
  207   1HG   LYS  24          2HG       LYS  24   9.517  -1.089   2.483
  208   2HG   LYS  24          1HG       LYS  24   8.638  -2.099   3.631
  209   1HD   LYS  24          2HD       LYS  24  10.264  -3.692   3.674
  210   2HD   LYS  24          1HD       LYS  24  10.573  -3.563   1.943
  211   1HE   LYS  24          2HE       LYS  24  12.559  -2.756   3.050
  212   2HE   LYS  24          1HE       LYS  24  11.707  -1.314   2.463
  213   1HZ   LYS  24          1HZ       LYS  24  10.620  -1.117   4.609
  214   2HZ   LYS  24          2HZ       LYS  24  12.307  -1.087   4.804
  215   3HZ   LYS  24          3HZ       LYS  24  11.431  -2.494   5.178
  216    H    PHE  25           HN       PHE  25   6.822  -3.389  -0.641
  217    HA   PHE  25           HA       PHE  25   7.969  -5.858  -1.688
  218   1HB   PHE  25          2HB       PHE  25   5.777  -5.654  -0.473
  219   2HB   PHE  25          1HB       PHE  25   5.155  -4.753  -1.857
  220    HD1  PHE  25           1HD      PHE  25   3.760  -6.048  -3.173
  221    HD2  PHE  25           2HD      PHE  25   7.274  -7.835  -1.475
  222    HE1  PHE  25           1HE      PHE  25   3.243  -8.175  -4.343
  223    HE2  PHE  25           2HE      PHE  25   6.758  -9.964  -2.642
  224    HZ   PHE  25           HZ       PHE  25   4.743 -10.132  -4.077
  225    H    LYS  26           HN       LYS  26   9.210  -3.937  -3.115
  226    HA   LYS  26           HA       LYS  26   7.871  -2.917  -5.424
  227   1HB   LYS  26          2HB       LYS  26  10.672  -3.415  -4.522
  228   2HB   LYS  26          1HB       LYS  26  10.417  -3.045  -6.227
  229   1HG   LYS  26          2HG       LYS  26   9.024  -1.048  -5.435
  230   2HG   LYS  26          1HG       LYS  26   9.691  -1.351  -3.830
  231   1HD   LYS  26          2HD       LYS  26  11.305   0.099  -4.592
  232   2HD   LYS  26          1HD       LYS  26  11.979  -1.397  -5.235
  233   1HE   LYS  26          2HE       LYS  26  10.776  -0.974  -7.390
  234   2HE   LYS  26          1HE       LYS  26  10.239   0.588  -6.740
  235   1HZ   LYS  26          1HZ       LYS  26  13.043  -0.332  -7.088
  236   2HZ   LYS  26          2HZ       LYS  26  12.603   1.083  -6.255
  237   3HZ   LYS  26          3HZ       LYS  26  12.279   0.936  -7.916
  238    H    GLY  27           HN       GLY  27   9.080  -6.076  -4.688
  239   1HA   GLY  27          2HA       GLY  27   8.386  -8.025  -5.966
  240   2HA   GLY  27          1HA       GLY  27   8.259  -6.996  -7.394
  241    H    ARG  28           HN       ARG  28  10.354  -8.999  -5.523
  242    HA   ARG  28           HA       ARG  28  12.549  -8.518  -7.506
  243   1HB   ARG  28          2HB       ARG  28  12.558  -8.543  -4.495
  244   2HB   ARG  28          1HB       ARG  28  14.019  -8.978  -5.383
  245   1HG   ARG  28          2HG       ARG  28  14.188  -6.850  -6.389
  246   2HG   ARG  28          1HG       ARG  28  12.509  -6.450  -6.026
  247   1HD   ARG  28          2HD       ARG  28  13.006  -5.756  -3.901
  248   2HD   ARG  28          1HD       ARG  28  14.199  -7.048  -3.659
  249    HE   ARG  28           HE       ARG  28  15.410  -5.482  -5.561
  250   1HH1  ARG  28          1HH1      ARG  28  16.502  -5.505  -2.811
  251   2HH1  ARG  28          2HH1      ARG  28  16.352  -3.848  -2.326
  252   1HH2  ARG  28          1HH2      ARG  28  14.087  -3.043  -4.824
  253   2HH2  ARG  28          2HH2      ARG  28  14.984  -2.456  -3.464
  Start of MODEL    2
    1   1H    GLU   1          1HT       GLU   1 -11.529   8.865   5.619
    2   2H    GLU   1          2HT       GLU   1 -10.719   7.381   5.784
    3   3H    GLU   1          3HT       GLU   1 -12.291   7.569   6.403
    4    HA   GLU   1           HA       GLU   1 -12.423   6.320   4.361
    5   1HB   GLU   1          2HB       GLU   1 -13.764   8.653   5.097
    6   2HB   GLU   1          1HB       GLU   1 -13.383   8.923   3.397
    7   1HG   GLU   1          2HG       GLU   1 -14.592   6.326   4.352
    8   2HG   GLU   1          1HG       GLU   1 -15.596   7.712   3.926
    9    H    GLN   2           HN       GLN   2 -10.344   5.926   3.372
   10    HA   GLN   2           HA       GLN   2  -9.464   8.022   1.409
   11   1HB   GLN   2          2HB       GLN   2  -8.117   6.418   3.433
   12   2HB   GLN   2          1HB       GLN   2  -7.399   6.145   1.846
   13   1HG   GLN   2          2HG       GLN   2  -6.244   8.013   2.832
   14   2HG   GLN   2          1HG       GLN   2  -7.293   8.661   1.571
   15   1HE2  GLN   2          1HE2      GLN   2  -7.867   7.697   5.010
   16   2HE2  GLN   2          2HE2      GLN   2  -8.617   9.157   5.442
   17    H    TYR   3           HN       TYR   3  -8.180   6.862  -0.466
   18    HA   TYR   3           HA       TYR   3  -9.883   5.391  -2.085
   19   1HB   TYR   3          2HB       TYR   3  -7.714   4.701  -3.243
   20   2HB   TYR   3          1HB       TYR   3  -7.971   6.426  -2.998
   21    HD1  TYR   3           1HD      TYR   3  -6.250   7.671  -2.126
   22    HD2  TYR   3           2HD      TYR   3  -6.475   3.495  -1.178
   23    HE1  TYR   3           1HE      TYR   3  -4.136   7.843  -0.861
   24    HE2  TYR   3           2HE      TYR   3  -4.368   3.665   0.083
   25    HH   TYR   3           HH       TYR   3  -2.201   5.809  -0.235
   26    H    THR   4           HN       THR   4 -10.027   3.166  -2.693
   27    HA   THR   4           HA       THR   4  -9.512   1.285  -0.444
   28    HB   THR   4           HB       THR   4 -11.087   0.872  -2.997
   29    HG1  THR   4           1HG      THR   4 -11.936   1.964  -0.521
   30   1HG2  THR   4          1HG2      THR   4 -11.104  -0.382  -0.247
   31   2HG2  THR   4          2HG2      THR   4 -10.752  -1.166  -1.787
   32   3HG2  THR   4          3HG2      THR   4 -12.393  -0.633  -1.424
   33    H    ALA   5           HN       ALA   5  -7.358   2.184  -2.298
   34    HA   ALA   5           HA       ALA   5  -6.599   0.492  -4.359
   35   1HB   ALA   5          1HB       ALA   5  -5.469   2.478  -2.864
   36   2HB   ALA   5          2HB       ALA   5  -4.582   1.533  -4.058
   37   3HB   ALA   5          3HB       ALA   5  -4.502   1.087  -2.347
   38    H    LYS   6           HN       LYS   6  -5.943  -1.654  -4.510
   39    HA   LYS   6           HA       LYS   6  -5.328  -3.095  -1.955
   40   1HB   LYS   6          2HB       LYS   6  -6.323  -5.095  -3.127
   41   2HB   LYS   6          1HB       LYS   6  -7.480  -3.821  -2.754
   42   1HG   LYS   6          2HG       LYS   6  -7.909  -3.410  -4.932
   43   2HG   LYS   6          1HG       LYS   6  -6.204  -3.475  -5.371
   44   1HD   LYS   6          2HD       LYS   6  -6.474  -6.056  -5.001
   45   2HD   LYS   6          1HD       LYS   6  -8.195  -5.723  -5.201
   46   1HE   LYS   6          2HE       LYS   6  -7.481  -6.181  -7.411
   47   2HE   LYS   6          1HE       LYS   6  -7.424  -4.408  -7.344
   48   1HZ   LYS   6          1HZ       LYS   6  -5.329  -5.191  -8.161
   49   2HZ   LYS   6          2HZ       LYS   6  -5.168  -6.282  -6.869
   50   3HZ   LYS   6          3HZ       LYS   6  -5.092  -4.612  -6.581
   51    H    TYR   7           HN       TYR   7  -3.484  -4.348  -2.017
   52    HA   TYR   7           HA       TYR   7  -1.980  -4.412  -4.610
   53   1HB   TYR   7          2HB       TYR   7  -1.137  -3.790  -1.777
   54   2HB   TYR   7          1HB       TYR   7   0.034  -4.236  -3.010
   55    HD1  TYR   7           1HD      TYR   7   0.897  -2.612  -4.398
   56    HD2  TYR   7           2HD      TYR   7  -2.849  -1.951  -2.435
   57    HE1  TYR   7           1HE      TYR   7   0.862  -0.305  -5.265
   58    HE2  TYR   7           2HE      TYR   7  -2.913   0.367  -3.288
   59    HH   TYR   7           HH       TYR   7  -0.164   1.804  -4.903
   60    H    LYS   8           HN       LYS   8  -1.563  -5.904  -1.376
   61    HA   LYS   8           HA       LYS   8  -1.328  -8.567  -2.746
   62   1HB   LYS   8          2HB       LYS   8   0.712  -7.576  -1.656
   63   2HB   LYS   8          1HB       LYS   8  -0.145  -7.619  -0.115
   64   1HG   LYS   8          2HG       LYS   8   1.118  -9.626  -0.145
   65   2HG   LYS   8          1HG       LYS   8  -0.514 -10.124  -0.594
   66   1HD   LYS   8          2HD       LYS   8   0.151  -9.929  -3.005
   67   2HD   LYS   8          1HD       LYS   8   1.804  -9.607  -2.479
   68   1HE   LYS   8          2HE       LYS   8   2.054 -11.785  -1.552
   69   2HE   LYS   8          1HE       LYS   8   0.304 -12.085  -1.591
   70   1HZ   LYS   8          1HZ       LYS   8   0.361 -11.896  -4.002
   71   2HZ   LYS   8          2HZ       LYS   8   1.400 -13.132  -3.482
   72   3HZ   LYS   8          3HZ       LYS   8   2.039 -11.633  -3.964
   73    H    GLY   9           HN       GLY   9  -3.880  -8.075  -2.333
   74   1HA   GLY   9          2HA       GLY   9  -5.789  -8.931  -1.259
   75   2HA   GLY   9          1HA       GLY   9  -4.712  -9.925  -0.276
   76    H    ARG  10           HN       ARG  10  -4.428  -6.431  -0.486
   77    HA   ARG  10           HA       ARG  10  -5.687  -6.088   2.195
   78   1HB   ARG  10          2HB       ARG  10  -2.842  -5.342   1.429
   79   2HB   ARG  10          1HB       ARG  10  -3.612  -4.961   2.971
   80   1HG   ARG  10          2HG       ARG  10  -3.979  -7.426   3.322
   81   2HG   ARG  10          1HG       ARG  10  -3.018  -7.722   1.874
   82   1HD   ARG  10          2HD       ARG  10  -1.071  -6.649   2.884
   83   2HD   ARG  10          1HD       ARG  10  -2.026  -6.201   4.311
   84    HE   ARG  10           HE       ARG  10  -1.858  -8.439   5.052
   85   1HH1  ARG  10          1HH1      ARG  10   0.380  -8.290   2.739
   86   2HH1  ARG  10          2HH1      ARG  10   0.165  -9.881   2.089
   87   1HH2  ARG  10          1HH2      ARG  10  -2.816 -10.452   3.765
   88   2HH2  ARG  10          2HH2      ARG  10  -1.644 -11.104   2.670
   89    H    THR  11           HN       THR  11  -6.960  -4.262   2.062
   90    HA   THR  11           HA       THR  11  -6.680  -2.407  -0.187
   91    HB   THR  11           HB       THR  11  -8.410  -2.287   2.309
   92    HG1  THR  11           1HG      THR  11  -8.807  -4.182   1.210
   93   1HG2  THR  11          1HG2      THR  11  -9.639  -0.632   1.247
   94   2HG2  THR  11          2HG2      THR  11  -9.160  -1.167  -0.364
   95   3HG2  THR  11          3HG2      THR  11  -8.025  -0.258   0.636
   96    H    PHE  12           HN       PHE  12  -5.854  -0.268  -0.031
   97    HA   PHE  12           HA       PHE  12  -4.410   0.386   2.508
   98   1HB   PHE  12          2HB       PHE  12  -3.979   1.061  -0.427
   99   2HB   PHE  12          1HB       PHE  12  -3.080   1.856   0.882
  100    HD1  PHE  12           1HD      PHE  12  -1.292   0.724   2.006
  101    HD2  PHE  12           2HD      PHE  12  -3.931  -1.392  -0.624
  102    HE1  PHE  12           1HE      PHE  12   0.193  -1.265   2.132
  103    HE2  PHE  12           2HE      PHE  12  -2.481  -3.407  -0.464
  104    HZ   PHE  12           HZ       PHE  12  -0.410  -3.337   0.903
  105    H    ARG  13           HN       ARG  13  -5.286   2.011   3.695
  106    HA   ARG  13           HA       ARG  13  -7.001   4.046   2.302
  107   1HB   ARG  13          2HB       ARG  13  -7.315   2.344   4.703
  108   2HB   ARG  13          1HB       ARG  13  -7.799   4.025   4.928
  109   1HG   ARG  13          2HG       ARG  13  -9.583   3.840   3.515
  110   2HG   ARG  13          1HG       ARG  13  -8.723   2.772   2.406
  111   1HD   ARG  13          2HD       ARG  13  -9.172   0.848   3.731
  112   2HD   ARG  13          1HD       ARG  13  -9.642   1.827   5.134
  113    HE   ARG  13           HE       ARG  13 -11.212   1.946   2.593
  114   1HH1  ARG  13          1HH1      ARG  13 -11.378   3.177   5.597
  115   2HH1  ARG  13          2HH1      ARG  13 -12.870   2.434   6.066
  116   1HH2  ARG  13          1HH2      ARG  13 -12.949   0.266   3.361
  117   2HH2  ARG  13          2HH2      ARG  13 -13.760   0.786   4.800
  118    H    ASN  14           HN       ASN  14  -4.118   4.238   2.710
  119    HA   ASN  14           HA       ASN  14  -4.025   6.819   4.112
  120   1HB   ASN  14          2HB       ASN  14  -3.897   4.816   5.790
  121   2HB   ASN  14          1HB       ASN  14  -2.259   4.616   5.169
  122   1HD2  ASN  14          1HD2      ASN  14  -0.659   6.053   5.939
  123   2HD2  ASN  14          2HD2      ASN  14  -0.982   7.367   6.963
  124    H    GLU  15           HN       GLU  15  -2.381   8.045   3.233
  125    HA   GLU  15           HA       GLU  15  -0.924   7.150   0.935
  126   1HB   GLU  15          2HB       GLU  15  -1.607   9.517   1.924
  127   2HB   GLU  15          1HB       GLU  15   0.000   9.433   2.647
  128   1HG   GLU  15          2HG       GLU  15   1.071   9.585   0.622
  129   2HG   GLU  15          1HG       GLU  15  -0.201   8.711  -0.232
  130    H    LYS  16           HN       LYS  16   0.077   7.599   4.332
  131    HA   LYS  16           HA       LYS  16   2.822   7.041   4.081
  132   1HB   LYS  16          2HB       LYS  16   1.195   7.744   6.069
  133   2HB   LYS  16          1HB       LYS  16   1.283   6.017   6.421
  134   1HG   LYS  16          2HG       LYS  16   3.769   6.171   6.409
  135   2HG   LYS  16          1HG       LYS  16   3.637   7.912   6.153
  136   1HD   LYS  16          2HD       LYS  16   2.057   7.759   8.285
  137   2HD   LYS  16          1HD       LYS  16   3.002   6.301   8.593
  138   1HE   LYS  16          2HE       LYS  16   5.078   7.560   8.568
  139   2HE   LYS  16          1HE       LYS  16   4.227   9.029   8.050
  140   1HZ   LYS  16          1HZ       LYS  16   3.657   7.525  10.551
  141   2HZ   LYS  16          2HZ       LYS  16   2.916   8.972  10.054
  142   3HZ   LYS  16          3HZ       LYS  16   4.562   8.957  10.473
  143    H    GLU  17           HN       GLU  17   0.132   4.842   4.575
  144    HA   GLU  17           HA       GLU  17   1.588   2.398   4.839
  145   1HB   GLU  17          2HB       GLU  17  -1.172   3.279   4.108
  146   2HB   GLU  17          1HB       GLU  17  -0.741   1.605   3.756
  147   1HG   GLU  17          2HG       GLU  17  -0.216   1.159   6.045
  148   2HG   GLU  17          1HG       GLU  17  -0.277   2.874   6.462
  149    H    LEU  18           HN       LEU  18  -0.153   3.607   1.958
  150    HA   LEU  18           HA       LEU  18   0.844   1.732   0.087
  151   1HB   LEU  18          2HB       LEU  18  -0.940   3.777   0.107
  152   2HB   LEU  18          1HB       LEU  18   0.371   4.542  -0.786
  153    HG   LEU  18           HG       LEU  18   0.376   2.695  -2.402
  154   1HD1  LEU  18          1HD1      LEU  18  -1.047   1.342  -0.336
  155   2HD1  LEU  18          2HD1      LEU  18  -0.508   0.672  -1.871
  156   3HD1  LEU  18          3HD1      LEU  18  -2.107   1.407  -1.734
  157   1HD2  LEU  18          1HD2      LEU  18  -2.227   4.095  -1.822
  158   2HD2  LEU  18          2HD2      LEU  18  -2.072   3.020  -3.211
  159   3HD2  LEU  18          3HD2      LEU  18  -1.043   4.447  -3.081
  160    H    ARG  19           HN       ARG  19   2.101   4.999   0.846
  161    HA   ARG  19           HA       ARG  19   4.312   4.975  -0.955
  162   1HB   ARG  19          2HB       ARG  19   3.824   6.276   1.738
  163   2HB   ARG  19          1HB       ARG  19   5.215   6.662   0.726
  164   1HG   ARG  19          2HG       ARG  19   2.646   6.721  -0.719
  165   2HG   ARG  19          1HG       ARG  19   2.764   7.915   0.574
  166   1HD   ARG  19          2HD       ARG  19   4.351   9.131  -0.536
  167   2HD   ARG  19          1HD       ARG  19   5.178   7.682  -1.136
  168    HE   ARG  19           HE       ARG  19   2.530   8.438  -2.275
  169   1HH1  ARG  19          1HH1      ARG  19   4.549   6.207  -3.136
  170   2HH1  ARG  19          2HH1      ARG  19   5.148   6.906  -4.602
  171   1HH2  ARG  19          1HH2      ARG  19   3.883  10.064  -3.927
  172   2HH2  ARG  19          2HH2      ARG  19   4.769   9.089  -5.051
  173    H    ASP  20           HN       ASP  20   3.806   3.241   2.027
  174    HA   ASP  20           HA       ASP  20   6.708   2.631   2.307
  175   1HB   ASP  20          2HB       ASP  20   4.229   2.436   3.998
  176   2HB   ASP  20          1HB       ASP  20   5.633   1.451   4.407
  177    H    PHE  21           HN       PHE  21   3.578   1.094   1.609
  178    HA   PHE  21           HA       PHE  21   4.433  -1.645   1.739
  179   1HB   PHE  21          2HB       PHE  21   2.098  -0.891   1.706
  180   2HB   PHE  21          1HB       PHE  21   2.269  -0.338   0.053
  181    HD1  PHE  21           1HD      PHE  21   2.320  -1.896  -1.805
  182    HD2  PHE  21           2HD      PHE  21   2.402  -3.266   2.258
  183    HE1  PHE  21           1HE      PHE  21   1.940  -4.223  -2.583
  184    HE2  PHE  21           2HE      PHE  21   2.018  -5.602   1.488
  185    HZ   PHE  21           HZ       PHE  21   1.788  -6.075  -0.937
  186    H    ILE  22           HN       ILE  22   3.579   0.016  -1.294
  187    HA   ILE  22           HA       ILE  22   4.811  -1.661  -3.130
  188    HB   ILE  22           HB       ILE  22   4.471   1.353  -3.141
  189   1HG1  ILE  22          2HG1      ILE  22   2.626   0.152  -4.829
  190   2HG1  ILE  22          1HG1      ILE  22   2.722  -0.985  -3.490
  191   1HG2  ILE  22          1HG2      ILE  22   4.642   1.208  -5.571
  192   2HG2  ILE  22          2HG2      ILE  22   4.848  -0.541  -5.478
  193   3HG2  ILE  22          3HG2      ILE  22   6.109   0.529  -4.864
  194   1HD1  ILE  22          1HD1      ILE  22   1.682   0.424  -2.067
  195   2HD1  ILE  22          2HD1      ILE  22   1.164   1.269  -3.525
  196   3HD1  ILE  22          3HD1      ILE  22   2.588   1.825  -2.647
  197    H    GLU  23           HN       GLU  23   6.278   0.854  -1.158
  198    HA   GLU  23           HA       GLU  23   8.853   0.943  -2.479
  199   1HB   GLU  23          2HB       GLU  23   7.541   2.371  -0.556
  200   2HB   GLU  23          1HB       GLU  23   8.672   1.456   0.440
  201   1HG   GLU  23          2HG       GLU  23  10.381   2.216  -1.469
  202   2HG   GLU  23          1HG       GLU  23   9.222   3.537  -1.629
  203    H    LYS  24           HN       LYS  24   7.488  -0.998   0.149
  204    HA   LYS  24           HA       LYS  24  10.041  -2.401   0.636
  205   1HB   LYS  24          2HB       LYS  24   7.224  -2.499   1.736
  206   2HB   LYS  24          1HB       LYS  24   8.452  -3.666   2.231
  207   1HG   LYS  24          2HG       LYS  24   9.901  -1.874   3.023
  208   2HG   LYS  24          1HG       LYS  24   8.773  -0.657   2.424
  209   1HD   LYS  24          2HD       LYS  24   7.212  -1.078   4.093
  210   2HD   LYS  24          1HD       LYS  24   7.771  -2.734   4.339
  211   1HE   LYS  24          2HE       LYS  24   9.855  -1.876   5.378
  212   2HE   LYS  24          1HE       LYS  24   9.266  -0.216   5.161
  213   1HZ   LYS  24          1HZ       LYS  24   7.215  -0.930   6.363
  214   2HZ   LYS  24          2HZ       LYS  24   8.616  -0.907   7.326
  215   3HZ   LYS  24          3HZ       LYS  24   8.001  -2.383   6.748
  216    H    PHE  25           HN       PHE  25   6.896  -2.984  -0.896
  217    HA   PHE  25           HA       PHE  25   7.973  -5.512  -2.008
  218   1HB   PHE  25          2HB       PHE  25   6.239  -5.813  -0.250
  219   2HB   PHE  25          1HB       PHE  25   5.127  -4.844  -1.217
  220    HD1  PHE  25           1HD      PHE  25   3.700  -5.935  -2.697
  221    HD2  PHE  25           2HD      PHE  25   7.389  -7.819  -1.564
  222    HE1  PHE  25           1HE      PHE  25   3.074  -7.947  -4.005
  223    HE2  PHE  25           2HE      PHE  25   6.764  -9.832  -2.871
  224    HZ   PHE  25           HZ       PHE  25   4.607  -9.896  -4.093
  225    H    LYS  26           HN       LYS  26   8.656  -3.919  -3.772
  226    HA   LYS  26           HA       LYS  26   6.922  -2.387  -5.365
  227   1HB   LYS  26          2HB       LYS  26   9.357  -4.051  -6.039
  228   2HB   LYS  26          1HB       LYS  26   8.648  -2.886  -7.157
  229   1HG   LYS  26          2HG       LYS  26   9.152  -1.858  -4.425
  230   2HG   LYS  26          1HG       LYS  26  10.596  -2.261  -5.355
  231   1HD   LYS  26          2HD       LYS  26   9.107  -0.939  -7.238
  232   2HD   LYS  26          1HD       LYS  26   8.634  -0.089  -5.768
  233   1HE   LYS  26          2HE       LYS  26  11.370  -0.297  -5.442
  234   2HE   LYS  26          1HE       LYS  26  11.210  -0.047  -7.193
  235   1HZ   LYS  26          1HZ       LYS  26  11.180   2.089  -6.181
  236   2HZ   LYS  26          2HZ       LYS  26  10.040   1.606  -5.023
  237   3HZ   LYS  26          3HZ       LYS  26   9.584   1.749  -6.653
  238    H    GLY  27           HN       GLY  27   7.212  -5.842  -5.198
  239   1HA   GLY  27          2HA       GLY  27   5.658  -7.438  -6.039
  240   2HA   GLY  27          1HA       GLY  27   4.893  -6.155  -6.977
  241    H    ARG  28           HN       ARG  28   7.862  -8.124  -6.844
  242    HA   ARG  28           HA       ARG  28   8.084  -7.830  -9.823
  243   1HB   ARG  28          2HB       ARG  28  10.095  -8.146  -7.585
  244   2HB   ARG  28          1HB       ARG  28  10.535  -8.406  -9.273
  245   1HG   ARG  28          2HG       ARG  28   9.051  -5.902  -8.635
  246   2HG   ARG  28          1HG       ARG  28  10.730  -5.995  -8.104
  247   1HD   ARG  28          2HD       ARG  28  10.233  -6.925 -10.880
  248   2HD   ARG  28          1HD       ARG  28  10.026  -5.185 -10.600
  249    HE   ARG  28           HE       ARG  28  12.506  -6.668  -9.802
  250   1HH1  ARG  28          1HH2      ARG  28  11.115  -3.672  -9.553
  251   2HH1  ARG  28          2HH2      ARG  28  12.382  -2.798 -10.347
  252   1HH2  ARG  28          1HH1      ARG  28  14.023  -5.650 -11.442
  253   2HH2  ARG  28          2HH1      ARG  28  14.029  -3.918 -11.417
  Start of MODEL    3
    1   1H    GLU   1          1HT       GLU   1 -10.745   6.484   5.475
    2   2H    GLU   1          2HT       GLU   1 -12.058   7.135   6.333
    3   3H    GLU   1          3HT       GLU   1 -11.020   8.158   5.460
    4    HA   GLU   1           HA       GLU   1 -12.719   6.065   4.201
    5   1HB   GLU   1          2HB       GLU   1 -13.175   8.845   5.145
    6   2HB   GLU   1          1HB       GLU   1 -13.795   8.470   3.536
    7   1HG   GLU   1          2HG       GLU   1 -15.309   6.915   4.327
    8   2HG   GLU   1          1HG       GLU   1 -14.318   6.508   5.729
    9    H    GLN   2           HN       GLN   2 -10.008   6.322   3.561
   10    HA   GLN   2           HA       GLN   2  -9.800   8.197   1.266
   11   1HB   GLN   2          2HB       GLN   2  -8.080   7.505   3.211
   12   2HB   GLN   2          1HB       GLN   2  -7.660   6.261   2.033
   13   1HG   GLN   2          2HG       GLN   2  -6.777   7.767   0.551
   14   2HG   GLN   2          1HG       GLN   2  -7.945   9.021   0.970
   15   1HE2  GLN   2          1HE2      GLN   2  -4.742   7.816   1.617
   16   2HE2  GLN   2          2HE2      GLN   2  -4.339   8.946   2.818
   17    H    TYR   3           HN       TYR   3  -8.407   7.001  -0.615
   18    HA   TYR   3           HA       TYR   3 -10.092   5.352  -2.088
   19   1HB   TYR   3          2HB       TYR   3  -7.941   4.728  -3.302
   20   2HB   TYR   3          1HB       TYR   3  -8.264   6.450  -3.116
   21    HD1  TYR   3           1HD      TYR   3  -6.570   7.804  -2.363
   22    HD2  TYR   3           2HD      TYR   3  -6.569   3.662  -1.237
   23    HE1  TYR   3           1HE      TYR   3  -4.425   8.124  -1.183
   24    HE2  TYR   3           2HE      TYR   3  -4.426   3.984  -0.065
   25    HH   TYR   3           HH       TYR   3  -3.108   7.100   0.560
   26    H    THR   4           HN       THR   4 -10.090   3.068  -2.576
   27    HA   THR   4           HA       THR   4  -9.301   1.390  -0.238
   28    HB   THR   4           HB       THR   4 -10.938  -0.200  -1.467
   29    HG1  THR   4           1HG      THR   4 -11.074   0.715  -3.437
   30   1HG2  THR   4          1HG2      THR   4 -11.616   2.411  -0.150
   31   2HG2  THR   4          2HG2      THR   4 -11.799   0.770   0.471
   32   3HG2  THR   4          3HG2      THR   4 -12.911   1.379  -0.755
   33    H    ALA   5           HN       ALA   5  -7.325   2.194  -2.224
   34    HA   ALA   5           HA       ALA   5  -6.689   0.491  -4.316
   35   1HB   ALA   5          1HB       ALA   5  -5.472   2.487  -2.936
   36   2HB   ALA   5          2HB       ALA   5  -4.625   1.482  -4.115
   37   3HB   ALA   5          3HB       ALA   5  -4.508   1.106  -2.388
   38    H    LYS   6           HN       LYS   6  -6.086  -1.673  -4.481
   39    HA   LYS   6           HA       LYS   6  -5.383  -3.094  -1.934
   40   1HB   LYS   6          2HB       LYS   6  -6.381  -5.103  -3.096
   41   2HB   LYS   6          1HB       LYS   6  -7.541  -3.834  -2.705
   42   1HG   LYS   6          2HG       LYS   6  -7.950  -3.353  -4.886
   43   2HG   LYS   6          1HG       LYS   6  -6.262  -3.554  -5.351
   44   1HD   LYS   6          2HD       LYS   6  -6.503  -5.804  -5.781
   45   2HD   LYS   6          1HD       LYS   6  -7.750  -6.011  -4.552
   46   1HE   LYS   6          2HE       LYS   6  -9.192  -6.076  -6.326
   47   2HE   LYS   6          1HE       LYS   6  -8.982  -4.315  -6.366
   48   1HZ   LYS   6          1HZ       LYS   6  -8.414  -5.215  -8.508
   49   2HZ   LYS   6          2HZ       LYS   6  -7.336  -6.325  -7.808
   50   3HZ   LYS   6          3HZ       LYS   6  -6.994  -4.665  -7.754
   51    H    TYR   7           HN       TYR   7  -3.546  -4.353  -2.010
   52    HA   TYR   7           HA       TYR   7  -2.058  -4.429  -4.613
   53   1HB   TYR   7          2HB       TYR   7  -1.203  -3.794  -1.788
   54   2HB   TYR   7          1HB       TYR   7  -0.036  -4.261  -3.017
   55    HD1  TYR   7           1HD      TYR   7   0.836  -2.660  -4.431
   56    HD2  TYR   7           2HD      TYR   7  -2.889  -1.940  -2.447
   57    HE1  TYR   7           1HE      TYR   7   0.828  -0.355  -5.309
   58    HE2  TYR   7           2HE      TYR   7  -2.923   0.378  -3.310
   59    HH   TYR   7           HH       TYR   7  -0.614   2.022  -4.239
   60    H    LYS   8           HN       LYS   8  -1.761  -5.904  -1.357
   61    HA   LYS   8           HA       LYS   8  -1.524  -8.584  -2.694
   62   1HB   LYS   8          2HB       LYS   8   0.527  -7.503  -1.600
   63   2HB   LYS   8          1HB       LYS   8  -0.303  -7.718  -0.060
   64   1HG   LYS   8          2HG       LYS   8   1.024  -9.664  -0.266
   65   2HG   LYS   8          1HG       LYS   8  -0.579 -10.188  -0.780
   66   1HD   LYS   8          2HD       LYS   8   0.047  -9.887  -3.130
   67   2HD   LYS   8          1HD       LYS   8   1.634  -9.289  -2.648
   68   1HE   LYS   8          2HE       LYS   8   1.970 -11.522  -1.442
   69   2HE   LYS   8          1HE       LYS   8   0.529 -12.090  -2.308
   70   1HZ   LYS   8          1HZ       LYS   8   1.528 -11.496  -4.389
   71   2HZ   LYS   8          2HZ       LYS   8   2.616 -12.494  -3.547
   72   3HZ   LYS   8          3HZ       LYS   8   2.879 -10.820  -3.611
   73    H    GLY   9           HN       GLY   9  -4.056  -8.025  -2.232
   74   1HA   GLY   9          2HA       GLY   9  -5.961  -8.822  -1.107
   75   2HA   GLY   9          1HA       GLY   9  -4.886  -9.829  -0.135
   76    H    ARG  10           HN       ARG  10  -4.467  -6.356  -0.365
   77    HA   ARG  10           HA       ARG  10  -5.686  -5.955   2.330
   78   1HB   ARG  10          2HB       ARG  10  -2.845  -5.265   1.493
   79   2HB   ARG  10          1HB       ARG  10  -3.574  -4.863   3.049
   80   1HG   ARG  10          2HG       ARG  10  -3.938  -7.295   3.474
   81   2HG   ARG  10          1HG       ARG  10  -3.099  -7.655   1.964
   82   1HD   ARG  10          2HD       ARG  10  -1.044  -6.643   2.796
   83   2HD   ARG  10          1HD       ARG  10  -1.870  -6.101   4.271
   84    HE   ARG  10           HE       ARG  10  -1.719  -9.004   3.573
   85   1HH1  ARG  10          1HH2      ARG  10   0.436  -7.355   5.193
   86   2HH1  ARG  10          2HH2      ARG  10   0.039  -7.880   6.794
   87   1HH2  ARG  10          1HH1      ARG  10  -3.005  -9.261   5.873
   88   2HH2  ARG  10          2HH1      ARG  10  -1.909  -8.961   7.179
   89    H    THR  11           HN       THR  11  -7.049  -4.204   2.025
   90    HA   THR  11           HA       THR  11  -6.715  -2.346  -0.186
   91    HB   THR  11           HB       THR  11  -8.435  -2.215   2.318
   92    HG1  THR  11           1HG      THR  11  -9.916  -3.307   1.137
   93   1HG2  THR  11          1HG2      THR  11  -9.400  -0.354   1.461
   94   2HG2  THR  11          2HG2      THR  11  -9.433  -1.025  -0.169
   95   3HG2  THR  11          3HG2      THR  11  -7.973  -0.232   0.429
   96    H    PHE  12           HN       PHE  12  -5.983  -0.147  -0.024
   97    HA   PHE  12           HA       PHE  12  -4.473   0.501   2.481
   98   1HB   PHE  12          2HB       PHE  12  -4.030   1.091  -0.465
   99   2HB   PHE  12          1HB       PHE  12  -3.158   1.960   0.810
  100    HD1  PHE  12           1HD      PHE  12  -1.386   0.899   2.050
  101    HD2  PHE  12           2HD      PHE  12  -3.880  -1.349  -0.615
  102    HE1  PHE  12           1HE      PHE  12   0.152  -1.043   2.260
  103    HE2  PHE  12           2HE      PHE  12  -2.378  -3.316  -0.365
  104    HZ   PHE  12           HZ       PHE  12  -0.353  -3.155   1.058
  105    H    ARG  13           HN       ARG  13  -5.571   1.985   3.667
  106    HA   ARG  13           HA       ARG  13  -7.135   4.109   2.238
  107   1HB   ARG  13          2HB       ARG  13  -8.429   4.184   4.370
  108   2HB   ARG  13          1HB       ARG  13  -8.451   2.577   3.648
  109   1HG   ARG  13          2HG       ARG  13  -6.165   2.943   5.441
  110   2HG   ARG  13          1HG       ARG  13  -7.701   3.192   6.268
  111   1HD   ARG  13          2HD       ARG  13  -7.849   0.868   4.514
  112   2HD   ARG  13          1HD       ARG  13  -6.523   0.709   5.681
  113    HE   ARG  13           HE       ARG  13  -8.174   1.176   7.483
  114   1HH1  ARG  13          1HH1      ARG  13  -9.033  -1.284   5.822
  115   2HH1  ARG  13          2HH1      ARG  13 -10.735  -0.993   5.690
  116   1HH2  ARG  13          1HH2      ARG  13 -10.512   2.324   6.674
  117   2HH2  ARG  13          2HH2      ARG  13 -11.573   1.051   6.172
  118    H    ASN  14           HN       ASN  14  -4.285   4.264   2.645
  119    HA   ASN  14           HA       ASN  14  -4.113   6.821   4.054
  120   1HB   ASN  14          2HB       ASN  14  -4.119   5.321   5.943
  121   2HB   ASN  14          1HB       ASN  14  -2.947   4.252   5.176
  122   1HD2  ASN  14          1HD2      ASN  14  -3.229   7.707   6.131
  123   2HD2  ASN  14          2HD2      ASN  14  -1.632   7.844   6.693
  124    H    GLU  15           HN       GLU  15  -2.516   7.981   3.059
  125    HA   GLU  15           HA       GLU  15  -1.012   6.979   0.845
  126   1HB   GLU  15          2HB       GLU  15  -1.719   9.383   1.657
  127   2HB   GLU  15          1HB       GLU  15  -0.161   9.351   2.485
  128   1HG   GLU  15          2HG       GLU  15   1.019   8.999   0.415
  129   2HG   GLU  15          1HG       GLU  15  -0.489   8.740  -0.462
  130    H    LYS  16           HN       LYS  16  -0.065   7.560   4.239
  131    HA   LYS  16           HA       LYS  16   2.686   7.062   4.081
  132   1HB   LYS  16          2HB       LYS  16   0.566   7.101   6.073
  133   2HB   LYS  16          1HB       LYS  16   1.823   5.940   6.491
  134   1HG   LYS  16          2HG       LYS  16   2.585   7.958   7.449
  135   2HG   LYS  16          1HG       LYS  16   3.483   7.852   5.934
  136   1HD   LYS  16          2HD       LYS  16   1.800   9.308   4.845
  137   2HD   LYS  16          1HD       LYS  16   0.935   9.438   6.377
  138   1HE   LYS  16          2HE       LYS  16   2.238  11.308   6.653
  139   2HE   LYS  16          1HE       LYS  16   3.476  10.135   7.147
  140   1HZ   LYS  16          1HZ       LYS  16   4.207  11.617   5.315
  141   2HZ   LYS  16          2HZ       LYS  16   2.986  10.962   4.336
  142   3HZ   LYS  16          3HZ       LYS  16   4.243   9.969   4.902
  143    H    GLU  17           HN       GLU  17   0.123   4.724   4.720
  144    HA   GLU  17           HA       GLU  17   1.680   2.355   4.896
  145   1HB   GLU  17          2HB       GLU  17  -1.128   2.952   3.929
  146   2HB   GLU  17          1HB       GLU  17  -0.523   1.303   4.092
  147   1HG   GLU  17          2HG       GLU  17  -0.567   3.349   6.328
  148   2HG   GLU  17          1HG       GLU  17  -1.762   2.071   6.110
  149    H    LEU  18           HN       LEU  18  -0.123   3.538   2.044
  150    HA   LEU  18           HA       LEU  18   0.878   1.694   0.141
  151   1HB   LEU  18          2HB       LEU  18  -0.954   3.668   0.183
  152   2HB   LEU  18          1HB       LEU  18   0.343   4.536  -0.633
  153    HG   LEU  18           HG       LEU  18   0.454   2.791  -2.353
  154   1HD1  LEU  18          1HD1      LEU  18  -0.899   1.226  -0.420
  155   2HD1  LEU  18          2HD1      LEU  18  -0.415   0.713  -2.028
  156   3HD1  LEU  18          3HD1      LEU  18  -2.017   1.399  -1.757
  157   1HD2  LEU  18          1HD2      LEU  18  -2.142   4.151  -1.741
  158   2HD2  LEU  18          2HD2      LEU  18  -2.060   3.050  -3.117
  159   3HD2  LEU  18          3HD2      LEU  18  -1.002   4.459  -3.050
  160    H    ARG  19           HN       ARG  19   2.144   4.913   1.039
  161    HA   ARG  19           HA       ARG  19   4.323   4.971  -0.813
  162   1HB   ARG  19          2HB       ARG  19   3.813   6.194   1.907
  163   2HB   ARG  19          1HB       ARG  19   5.247   6.582   0.955
  164   1HG   ARG  19          2HG       ARG  19   2.649   6.728  -0.479
  165   2HG   ARG  19          1HG       ARG  19   2.931   7.966   0.746
  166   1HD   ARG  19          2HD       ARG  19   4.626   8.952  -0.456
  167   2HD   ARG  19          1HD       ARG  19   5.201   7.404  -1.104
  168    HE   ARG  19           HE       ARG  19   2.985   9.021  -2.216
  169   1HH1  ARG  19          1HH2      ARG  19   5.427   7.626  -3.573
  170   2HH1  ARG  19          2HH2      ARG  19   4.601   6.399  -4.474
  171   1HH2  ARG  19          1HH1      ARG  19   1.617   6.763  -2.748
  172   2HH2  ARG  19          2HH1      ARG  19   2.445   5.911  -4.008
  173    H    ASP  20           HN       ASP  20   3.856   3.176   2.146
  174    HA   ASP  20           HA       ASP  20   6.757   2.538   2.356
  175   1HB   ASP  20          2HB       ASP  20   5.298   3.256   4.308
  176   2HB   ASP  20          1HB       ASP  20   4.437   1.726   4.130
  177    H    PHE  21           HN       PHE  21   3.602   1.026   1.702
  178    HA   PHE  21           HA       PHE  21   4.452  -1.715   1.732
  179   1HB   PHE  21          2HB       PHE  21   2.116  -0.965   1.759
  180   2HB   PHE  21          1HB       PHE  21   2.262  -0.348   0.125
  181    HD1  PHE  21           1HD      PHE  21   2.247  -1.831  -1.786
  182    HD2  PHE  21           2HD      PHE  21   2.456  -3.363   2.213
  183    HE1  PHE  21           1HE      PHE  21   1.874  -4.129  -2.649
  184    HE2  PHE  21           2HE      PHE  21   2.056  -5.668   1.360
  185    HZ   PHE  21           HZ       PHE  21   1.771  -6.046  -1.076
  186    H    ILE  22           HN       ILE  22   3.545   0.018  -1.242
  187    HA   ILE  22           HA       ILE  22   4.786  -1.597  -3.135
  188    HB   ILE  22           HB       ILE  22   4.369   1.408  -3.065
  189   1HG1  ILE  22          2HG1      ILE  22   2.535   0.214  -4.763
  190   2HG1  ILE  22          1HG1      ILE  22   2.681  -0.966  -3.467
  191   1HG2  ILE  22          1HG2      ILE  22   4.521   1.337  -5.496
  192   2HG2  ILE  22          2HG2      ILE  22   4.762  -0.410  -5.460
  193   3HG2  ILE  22          3HG2      ILE  22   6.009   0.665  -4.828
  194   1HD1  ILE  22          1HD1      ILE  22   1.709   0.399  -1.933
  195   2HD1  ILE  22          2HD1      ILE  22   1.017   1.164  -3.363
  196   3HD1  ILE  22          3HD1      ILE  22   2.454   1.850  -2.604
  197    H    GLU  23           HN       GLU  23   6.214   0.901  -1.112
  198    HA   GLU  23           HA       GLU  23   8.755   1.165  -2.436
  199   1HB   GLU  23          2HB       GLU  23   7.813   2.699  -0.713
  200   2HB   GLU  23          1HB       GLU  23   8.013   1.433   0.500
  201   1HG   GLU  23          2HG       GLU  23  10.402   2.154  -1.136
  202   2HG   GLU  23          1HG       GLU  23   9.887   3.303   0.100
  203    H    LYS  24           HN       LYS  24   7.487  -1.143  -0.087
  204    HA   LYS  24           HA       LYS  24  10.124  -2.480   0.191
  205   1HB   LYS  24          2HB       LYS  24   8.619  -2.045   2.134
  206   2HB   LYS  24          1HB       LYS  24   7.391  -3.064   1.383
  207   1HG   LYS  24          2HG       LYS  24   8.737  -5.017   1.583
  208   2HG   LYS  24          1HG       LYS  24  10.182  -4.074   1.947
  209   1HD   LYS  24          2HD       LYS  24   7.848  -3.732   3.768
  210   2HD   LYS  24          1HD       LYS  24   8.737  -5.251   3.876
  211   1HE   LYS  24          2HE       LYS  24  10.812  -4.097   4.332
  212   2HE   LYS  24          1HE       LYS  24  10.065  -2.523   3.989
  213   1HZ   LYS  24          1HZ       LYS  24   8.468  -2.955   5.774
  214   2HZ   LYS  24          2HZ       LYS  24  10.059  -2.930   6.361
  215   3HZ   LYS  24          3HZ       LYS  24   9.260  -4.414   6.137
  216    H    PHE  25           HN       PHE  25   6.782  -3.301  -0.820
  217    HA   PHE  25           HA       PHE  25   7.686  -5.807  -2.026
  218   1HB   PHE  25          2HB       PHE  25   5.587  -5.585  -0.714
  219   2HB   PHE  25          1HB       PHE  25   4.978  -4.452  -1.920
  220    HD1  PHE  25           1HD      PHE  25   3.333  -5.447  -3.206
  221    HD2  PHE  25           2HD      PHE  25   6.823  -7.719  -2.165
  222    HE1  PHE  25           1HE      PHE  25   2.510  -7.338  -4.585
  223    HE2  PHE  25           2HE      PHE  25   6.004  -9.612  -3.544
  224    HZ   PHE  25           HZ       PHE  25   3.846  -9.421  -4.754
  225    H    LYS  26           HN       LYS  26   8.969  -3.778  -3.345
  226    HA   LYS  26           HA       LYS  26   7.629  -2.558  -5.538
  227   1HB   LYS  26          2HB       LYS  26  10.487  -3.495  -5.175
  228   2HB   LYS  26          1HB       LYS  26   9.960  -2.383  -6.439
  229   1HG   LYS  26          2HG       LYS  26   9.159  -0.802  -4.721
  230   2HG   LYS  26          1HG       LYS  26   9.683  -1.913  -3.455
  231   1HD   LYS  26          2HD       LYS  26  11.571  -0.828  -5.554
  232   2HD   LYS  26          1HD       LYS  26  11.312  -0.032  -4.002
  233   1HE   LYS  26          2HE       LYS  26  11.855  -2.935  -3.803
  234   2HE   LYS  26          1HE       LYS  26  13.211  -1.958  -4.403
  235   1HZ   LYS  26          1HZ       LYS  26  13.154  -2.001  -1.971
  236   2HZ   LYS  26          2HZ       LYS  26  11.590  -1.345  -1.987
  237   3HZ   LYS  26          3HZ       LYS  26  12.899  -0.430  -2.567
  238    H    GLY  27           HN       GLY  27   8.548  -5.846  -5.054
  239   1HA   GLY  27          2HA       GLY  27   8.980  -6.752  -7.699
  240   2HA   GLY  27          1HA       GLY  27   8.310  -7.748  -6.407
  241    H    ARG  28           HN       ARG  28   5.951  -7.607  -6.044
  242    HA   ARG  28           HA       ARG  28   4.497  -6.998  -8.593
  243   1HB   ARG  28          2HB       ARG  28   4.711  -9.298  -6.970
  244   2HB   ARG  28          1HB       ARG  28   3.096  -8.666  -6.658
  245   1HG   ARG  28          2HG       ARG  28   2.359  -9.168  -8.749
  246   2HG   ARG  28          1HG       ARG  28   3.864  -8.653  -9.508
  247   1HD   ARG  28          2HD       ARG  28   4.446 -10.829  -9.752
  248   2HD   ARG  28          1HD       ARG  28   4.450 -11.006  -7.986
  249    HE   ARG  28           HE       ARG  28   1.782 -11.047  -9.227
  250   1HH1  ARG  28          1HH2      ARG  28   4.326 -13.169  -9.452
  251   2HH1  ARG  28          2HH2      ARG  28   3.555 -14.484  -8.630
  252   1HH2  ARG  28          1HH1      ARG  28   0.854 -12.586  -7.568
  253   2HH2  ARG  28          2HH1      ARG  28   1.589 -14.155  -7.564
  Start of MODEL    4
    1   1H    GLU   1          1HT       GLU   1 -12.632   8.501   5.210
    2   2H    GLU   1          2HT       GLU   1 -12.862   6.879   4.758
    3   3H    GLU   1          3HT       GLU   1 -14.185   7.823   5.251
    4    HA   GLU   1           HA       GLU   1 -14.159   7.563   2.832
    5   1HB   GLU   1          2HB       GLU   1 -14.418   9.846   4.457
    6   2HB   GLU   1          1HB       GLU   1 -13.482  10.394   3.069
    7   1HG   GLU   1          2HG       GLU   1 -15.281   9.084   1.678
    8   2HG   GLU   1          1HG       GLU   1 -16.255   9.242   3.140
    9    H    GLN   2           HN       GLN   2 -12.193   6.406   2.158
   10    HA   GLN   2           HA       GLN   2 -10.230   8.204   0.859
   11   1HB   GLN   2          2HB       GLN   2  -9.788   6.583   3.286
   12   2HB   GLN   2          1HB       GLN   2  -8.571   6.344   2.033
   13   1HG   GLN   2          2HG       GLN   2  -7.604   8.204   2.910
   14   2HG   GLN   2          1HG       GLN   2  -8.842   9.076   2.008
   15   1HE2  GLN   2          1HE2      GLN   2  -7.860  10.261   4.345
   16   2HE2  GLN   2          2HE2      GLN   2  -9.040  10.202   5.563
   17    H    TYR   3           HN       TYR   3  -8.874   6.994  -0.702
   18    HA   TYR   3           HA       TYR   3 -10.262   5.174  -2.324
   19   1HB   TYR   3          2HB       TYR   3  -7.968   4.747  -3.289
   20   2HB   TYR   3          1HB       TYR   3  -8.405   6.447  -3.132
   21    HD1  TYR   3           1HD      TYR   3  -6.943   7.897  -2.100
   22    HD2  TYR   3           2HD      TYR   3  -6.722   3.712  -1.172
   23    HE1  TYR   3           1HE      TYR   3  -4.966   8.313  -0.680
   24    HE2  TYR   3           2HE      TYR   3  -4.753   4.131   0.243
   25    HH   TYR   3           HH       TYR   3  -3.050   7.101   0.199
   26    H    THR   4           HN       THR   4 -10.001   2.893  -2.693
   27    HA   THR   4           HA       THR   4  -9.136   1.375  -0.255
   28    HB   THR   4           HB       THR   4 -10.783  -0.325  -1.264
   29    HG1  THR   4           1HG      THR   4 -12.203   0.538  -2.776
   30   1HG2  THR   4          1HG2      THR   4 -11.475   2.363  -0.141
   31   2HG2  THR   4          2HG2      THR   4 -11.644   0.768   0.593
   32   3HG2  THR   4          3HG2      THR   4 -12.780   1.292  -0.650
   33    H    ALA   5           HN       ALA   5  -7.197   2.108  -2.202
   34    HA   ALA   5           HA       ALA   5  -6.651   0.394  -4.335
   35   1HB   ALA   5          1HB       ALA   5  -5.397   2.433  -3.179
   36   2HB   ALA   5          2HB       ALA   5  -4.514   1.280  -4.183
   37   3HB   ALA   5          3HB       ALA   5  -4.472   1.129  -2.421
   38    H    LYS   6           HN       LYS   6  -6.268  -1.791  -4.445
   39    HA   LYS   6           HA       LYS   6  -5.420  -3.198  -1.932
   40   1HB   LYS   6          2HB       LYS   6  -6.528  -5.182  -2.997
   41   2HB   LYS   6          1HB       LYS   6  -7.640  -3.854  -2.672
   42   1HG   LYS   6          2HG       LYS   6  -8.073  -3.528  -4.867
   43   2HG   LYS   6          1HG       LYS   6  -6.373  -3.662  -5.312
   44   1HD   LYS   6          2HD       LYS   6  -6.961  -6.256  -4.619
   45   2HD   LYS   6          1HD       LYS   6  -8.488  -5.723  -5.323
   46   1HE   LYS   6          2HE       LYS   6  -7.576  -5.448  -7.432
   47   2HE   LYS   6          1HE       LYS   6  -5.971  -5.037  -6.795
   48   1HZ   LYS   6          1HZ       LYS   6  -7.236  -7.719  -6.595
   49   2HZ   LYS   6          2HZ       LYS   6  -5.674  -7.303  -6.083
   50   3HZ   LYS   6          3HZ       LYS   6  -6.053  -7.296  -7.738
   51    H    TYR   7           HN       TYR   7  -3.662  -4.604  -2.080
   52    HA   TYR   7           HA       TYR   7  -2.235  -4.687  -4.719
   53   1HB   TYR   7          2HB       TYR   7  -1.286  -4.170  -1.898
   54   2HB   TYR   7          1HB       TYR   7  -0.170  -4.604  -3.196
   55    HD1  TYR   7           1HD      TYR   7   0.625  -2.968  -4.653
   56    HD2  TYR   7           2HD      TYR   7  -2.913  -2.215  -2.360
   57    HE1  TYR   7           1HE      TYR   7   0.620  -0.628  -5.449
   58    HE2  TYR   7           2HE      TYR   7  -2.941   0.132  -3.151
   59    HH   TYR   7           HH       TYR   7  -1.041   1.202  -5.762
   60    H    LYS   8           HN       LYS   8  -1.487  -6.179  -1.574
   61    HA   LYS   8           HA       LYS   8  -1.580  -8.871  -2.889
   62   1HB   LYS   8          2HB       LYS   8   0.587  -7.932  -1.970
   63   2HB   LYS   8          1HB       LYS   8  -0.152  -7.961  -0.368
   64   1HG   LYS   8          2HG       LYS   8   0.931 -10.024  -0.402
   65   2HG   LYS   8          1HG       LYS   8  -0.676 -10.470  -0.977
   66   1HD   LYS   8          2HD       LYS   8   0.042 -10.843  -3.123
   67   2HD   LYS   8          1HD       LYS   8   1.276  -9.586  -3.039
   68   1HE   LYS   8          2HE       LYS   8   2.383 -11.767  -3.119
   69   2HE   LYS   8          1HE       LYS   8   2.595 -11.092  -1.491
   70   1HZ   LYS   8          1HZ       LYS   8   0.682 -12.315  -0.733
   71   2HZ   LYS   8          2HZ       LYS   8   1.781 -13.401  -1.442
   72   3HZ   LYS   8          3HZ       LYS   8   0.395 -12.921  -2.295
   73    H    GLY   9           HN       GLY   9  -4.048  -7.992  -2.169
   74   1HA   GLY   9          2HA       GLY   9  -5.912  -8.785  -0.954
   75   2HA   GLY   9          1HA       GLY   9  -4.819  -9.820  -0.030
   76    H    ARG  10           HN       ARG  10  -4.345  -6.358  -0.412
   77    HA   ARG  10           HA       ARG  10  -5.271  -5.859   2.384
   78   1HB   ARG  10          2HB       ARG  10  -2.530  -5.195   1.243
   79   2HB   ARG  10          1HB       ARG  10  -3.091  -4.799   2.869
   80   1HG   ARG  10          2HG       ARG  10  -3.432  -7.253   3.290
   81   2HG   ARG  10          1HG       ARG  10  -2.688  -7.578   1.724
   82   1HD   ARG  10          2HD       ARG  10  -0.575  -7.007   2.458
   83   2HD   ARG  10          1HD       ARG  10  -1.189  -5.798   3.604
   84    HE   ARG  10           HE       ARG  10  -1.483  -8.745   4.067
   85   1HH1  ARG  10          1HH1      ARG  10   0.408  -6.224   5.052
   86   2HH1  ARG  10          2HH1      ARG  10  -0.001  -6.306   6.732
   87   1HH2  ARG  10          1HH2      ARG  10  -2.598  -8.556   6.262
   88   2HH2  ARG  10          2HH2      ARG  10  -1.703  -7.627   7.417
   89    H    THR  11           HN       THR  11  -6.817  -4.270   1.886
   90    HA   THR  11           HA       THR  11  -6.493  -2.367  -0.272
   91    HB   THR  11           HB       THR  11  -8.274  -2.248   2.182
   92    HG1  THR  11           1HG      THR  11  -9.743  -3.359   0.861
   93   1HG2  THR  11          1HG2      THR  11  -9.336  -0.512   1.177
   94   2HG2  THR  11          2HG2      THR  11  -9.238  -1.263  -0.415
   95   3HG2  THR  11          3HG2      THR  11  -7.865  -0.353   0.215
   96    H    PHE  12           HN       PHE  12  -5.931  -0.101  -0.063
   97    HA   PHE  12           HA       PHE  12  -4.487   0.578   2.475
   98   1HB   PHE  12          2HB       PHE  12  -4.003   1.172  -0.454
   99   2HB   PHE  12          1HB       PHE  12  -3.223   2.122   0.823
  100    HD1  PHE  12           1HD      PHE  12  -1.521   1.139   2.275
  101    HD2  PHE  12           2HD      PHE  12  -3.585  -1.198  -0.688
  102    HE1  PHE  12           1HE      PHE  12   0.140  -0.689   2.557
  103    HE2  PHE  12           2HE      PHE  12  -1.935  -3.044  -0.380
  104    HZ   PHE  12           HZ       PHE  12  -0.074  -2.777   1.236
  105    H    ARG  13           HN       ARG  13  -5.252   2.281   3.589
  106    HA   ARG  13           HA       ARG  13  -6.985   4.288   2.187
  107   1HB   ARG  13          2HB       ARG  13  -8.324   4.319   4.290
  108   2HB   ARG  13          1HB       ARG  13  -8.303   2.715   3.560
  109   1HG   ARG  13          2HG       ARG  13  -6.486   2.044   5.107
  110   2HG   ARG  13          1HG       ARG  13  -6.539   3.642   5.850
  111   1HD   ARG  13          2HD       ARG  13  -8.079   2.757   7.276
  112   2HD   ARG  13          1HD       ARG  13  -9.207   2.791   5.906
  113    HE   ARG  13           HE       ARG  13  -7.472   0.442   6.571
  114   1HH1  ARG  13          1HH1      ARG  13 -10.636   1.233   6.673
  115   2HH1  ARG  13          2HH1      ARG  13 -11.198   0.048   5.541
  116   1HH2  ARG  13          1HH2      ARG  13  -8.019  -0.806   4.451
  117   2HH2  ARG  13          2HH2      ARG  13  -9.716  -1.106   4.284
  118    H    ASN  14           HN       ASN  14  -4.169   4.479   2.587
  119    HA   ASN  14           HA       ASN  14  -3.984   7.014   4.013
  120   1HB   ASN  14          2HB       ASN  14  -4.012   5.587   5.941
  121   2HB   ASN  14          1HB       ASN  14  -2.911   4.432   5.194
  122   1HD2  ASN  14          1HD2      ASN  14  -2.978   7.920   6.067
  123   2HD2  ASN  14          2HD2      ASN  14  -1.374   7.972   6.622
  124    H    GLU  15           HN       GLU  15  -2.540   8.118   2.786
  125    HA   GLU  15           HA       GLU  15  -0.949   7.057   0.704
  126   1HB   GLU  15          2HB       GLU  15  -1.698   9.494   1.539
  127   2HB   GLU  15          1HB       GLU  15  -0.049   9.499   2.166
  128   1HG   GLU  15          2HG       GLU  15   0.714   8.767  -0.146
  129   2HG   GLU  15          1HG       GLU  15  -0.927   9.096  -0.703
  130    H    LYS  16           HN       LYS  16   0.076   7.974   4.011
  131    HA   LYS  16           HA       LYS  16   2.811   7.366   3.810
  132   1HB   LYS  16          2HB       LYS  16   1.018   8.195   5.739
  133   2HB   LYS  16          1HB       LYS  16   1.540   6.627   6.352
  134   1HG   LYS  16          2HG       LYS  16   3.576   8.603   5.349
  135   2HG   LYS  16          1HG       LYS  16   2.923   8.759   6.980
  136   1HD   LYS  16          2HD       LYS  16   3.859   6.058   6.111
  137   2HD   LYS  16          1HD       LYS  16   5.083   7.271   6.486
  138   1HE   LYS  16          2HE       LYS  16   4.723   7.032   8.712
  139   2HE   LYS  16          1HE       LYS  16   2.976   7.263   8.507
  140   1HZ   LYS  16          1HZ       LYS  16   4.463   4.754   7.932
  141   2HZ   LYS  16          2HZ       LYS  16   2.795   4.983   7.735
  142   3HZ   LYS  16          3HZ       LYS  16   3.477   5.021   9.289
  143    H    GLU  17           HN       GLU  17   0.139   5.281   4.715
  144    HA   GLU  17           HA       GLU  17   1.533   2.888   5.335
  145   1HB   GLU  17          2HB       GLU  17  -1.176   3.746   4.520
  146   2HB   GLU  17          1HB       GLU  17  -0.819   2.062   4.154
  147   1HG   GLU  17          2HG       GLU  17  -0.531   3.374   6.870
  148   2HG   GLU  17          1HG       GLU  17  -1.826   2.283   6.377
  149    H    LEU  18           HN       LEU  18  -0.285   3.359   2.317
  150    HA   LEU  18           HA       LEU  18   0.792   1.263   0.842
  151   1HB   LEU  18          2HB       LEU  18  -1.154   2.772   0.310
  152   2HB   LEU  18          1HB       LEU  18   0.009   3.985  -0.228
  153    HG   LEU  18           HG       LEU  18   0.938   2.249  -1.811
  154   1HD1  LEU  18          1HD1      LEU  18  -0.298   0.387  -0.409
  155   2HD1  LEU  18          2HD1      LEU  18  -0.139   0.206  -2.146
  156   3HD1  LEU  18          3HD1      LEU  18  -1.655   0.780  -1.456
  157   1HD2  LEU  18          1HD2      LEU  18  -1.960   2.597  -2.458
  158   2HD2  LEU  18          2HD2      LEU  18  -0.544   2.894  -3.467
  159   3HD2  LEU  18          3HD2      LEU  18  -0.987   4.048  -2.209
  160    H    ARG  19           HN       ARG  19   2.022   4.653   0.806
  161    HA   ARG  19           HA       ARG  19   4.128   4.261  -1.042
  162   1HB   ARG  19          2HB       ARG  19   3.816   6.019   1.407
  163   2HB   ARG  19          1HB       ARG  19   5.181   6.176   0.299
  164   1HG   ARG  19          2HG       ARG  19   2.448   6.093  -0.889
  165   2HG   ARG  19          1HG       ARG  19   2.927   7.573  -0.058
  166   1HD   ARG  19          2HD       ARG  19   4.649   8.025  -1.577
  167   2HD   ARG  19          1HD       ARG  19   4.809   6.321  -2.050
  168    HE   ARG  19           HE       ARG  19   2.488   8.049  -2.824
  169   1HH1  ARG  19          1HH1      ARG  19   3.380   4.845  -2.791
  170   2HH1  ARG  19          2HH1      ARG  19   3.227   4.585  -4.496
  171   1HH2  ARG  19          1HH2      ARG  19   2.806   7.945  -5.238
  172   2HH2  ARG  19          2HH2      ARG  19   2.902   6.339  -5.881
  173    H    ASP  20           HN       ASP  20   3.895   3.382   2.361
  174    HA   ASP  20           HA       ASP  20   6.714   2.643   2.674
  175   1HB   ASP  20          2HB       ASP  20   5.037   3.348   4.479
  176   2HB   ASP  20          1HB       ASP  20   4.284   1.767   4.275
  177    H    PHE  21           HN       PHE  21   3.635   1.056   2.004
  178    HA   PHE  21           HA       PHE  21   4.495  -1.697   1.908
  179   1HB   PHE  21          2HB       PHE  21   2.163  -1.037   2.007
  180   2HB   PHE  21          1HB       PHE  21   2.299  -0.107   0.529
  181    HD1  PHE  21           1HD      PHE  21   2.121  -1.137  -1.631
  182    HD2  PHE  21           2HD      PHE  21   2.528  -3.487   1.944
  183    HE1  PHE  21           1HE      PHE  21   1.648  -3.213  -2.927
  184    HE2  PHE  21           2HE      PHE  21   2.033  -5.560   0.651
  185    HZ   PHE  21           HZ       PHE  21   1.598  -5.415  -1.788
  186    H    ILE  22           HN       ILE  22   3.712   0.521  -0.703
  187    HA   ILE  22           HA       ILE  22   4.552  -0.816  -2.985
  188    HB   ILE  22           HB       ILE  22   4.777   2.118  -2.227
  189   1HG1  ILE  22          2HG1      ILE  22   2.511   1.045  -2.015
  190   2HG1  ILE  22          1HG1      ILE  22   2.562   2.301  -3.248
  191   1HG2  ILE  22          1HG2      ILE  22   4.720   2.579  -4.634
  192   2HG2  ILE  22          2HG2      ILE  22   4.672   0.849  -4.977
  193   3HG2  ILE  22          3HG2      ILE  22   6.112   1.565  -4.253
  194   1HD1  ILE  22          1HD1      ILE  22   1.904  -0.488  -3.505
  195   2HD1  ILE  22          2HD1      ILE  22   3.279  -0.110  -4.537
  196   3HD1  ILE  22          3HD1      ILE  22   1.777   0.795  -4.707
  197    H    GLU  23           HN       GLU  23   6.532   0.835  -0.592
  198    HA   GLU  23           HA       GLU  23   9.013   0.874  -2.092
  199   1HB   GLU  23          2HB       GLU  23   8.155   2.094   0.103
  200   2HB   GLU  23          1HB       GLU  23   8.877   0.699   0.904
  201   1HG   GLU  23          2HG       GLU  23  10.349   2.407  -1.119
  202   2HG   GLU  23          1HG       GLU  23  10.443   2.664   0.623
  203    H    LYS  24           HN       LYS  24   7.546  -1.419   0.195
  204    HA   LYS  24           HA       LYS  24   9.851  -3.226   0.188
  205   1HB   LYS  24          2HB       LYS  24   7.934  -2.756   1.946
  206   2HB   LYS  24          1HB       LYS  24   7.056  -3.968   1.013
  207   1HG   LYS  24          2HG       LYS  24   8.117  -5.418   2.430
  208   2HG   LYS  24          1HG       LYS  24   9.440  -5.229   1.279
  209   1HD   LYS  24          2HD       LYS  24  10.431  -3.465   2.647
  210   2HD   LYS  24          1HD       LYS  24   9.070  -3.536   3.768
  211   1HE   LYS  24          2HE       LYS  24   9.655  -5.807   4.426
  212   2HE   LYS  24          1HE       LYS  24  10.935  -5.869   3.197
  213   1HZ   LYS  24          1HZ       LYS  24  10.795  -3.818   5.341
  214   2HZ   LYS  24          2HZ       LYS  24  12.068  -4.071   4.249
  215   3HZ   LYS  24          3HZ       LYS  24  11.737  -5.228   5.449
  216    H    PHE  25           HN       PHE  25   6.494  -3.481  -1.039
  217    HA   PHE  25           HA       PHE  25   7.158  -5.803  -2.665
  218   1HB   PHE  25          2HB       PHE  25   5.018  -5.512  -1.436
  219   2HB   PHE  25          1HB       PHE  25   4.649  -4.118  -2.450
  220    HD1  PHE  25           1HD      PHE  25   3.042  -4.604  -4.040
  221    HD2  PHE  25           2HD      PHE  25   6.015  -7.557  -3.108
  222    HE1  PHE  25           1HE      PHE  25   2.092  -6.105  -5.775
  223    HE2  PHE  25           2HE      PHE  25   5.069  -9.059  -4.841
  224    HZ   PHE  25           HZ       PHE  25   3.107  -8.334  -6.174
  225    H    LYS  26           HN       LYS  26   8.817  -3.901  -3.620
  226    HA   LYS  26           HA       LYS  26   7.777  -2.125  -5.613
  227   1HB   LYS  26          2HB       LYS  26  10.371  -3.266  -4.761
  228   2HB   LYS  26          1HB       LYS  26  10.316  -2.689  -6.426
  229   1HG   LYS  26          2HG       LYS  26   9.707  -0.487  -5.756
  230   2HG   LYS  26          1HG       LYS  26   9.318  -1.013  -4.118
  231   1HD   LYS  26          2HD       LYS  26  11.503  -1.000  -3.450
  232   2HD   LYS  26          1HD       LYS  26  12.088  -1.579  -5.010
  233   1HE   LYS  26          2HE       LYS  26  12.867   0.704  -4.751
  234   2HE   LYS  26          1HE       LYS  26  11.549   0.740  -5.938
  235   1HZ   LYS  26          1HZ       LYS  26  11.156   1.127  -3.020
  236   2HZ   LYS  26          2HZ       LYS  26  10.002   1.335  -4.245
  237   3HZ   LYS  26          3HZ       LYS  26  11.313   2.408  -4.124
  238    H    GLY  27           HN       GLY  27   8.361  -5.538  -5.640
  239   1HA   GLY  27          2HA       GLY  27   7.682  -7.116  -7.272
  240   2HA   GLY  27          1HA       GLY  27   7.190  -5.777  -8.310
  241    H    ARG  28           HN       ARG  28  10.380  -6.027  -6.848
  242    HA   ARG  28           HA       ARG  28  11.564  -6.157  -9.588
  243   1HB   ARG  28          2HB       ARG  28  12.034  -4.276  -7.953
  244   2HB   ARG  28          1HB       ARG  28  12.837  -5.462  -6.924
  245   1HG   ARG  28          2HG       ARG  28  13.697  -5.492  -9.756
  246   2HG   ARG  28          1HG       ARG  28  14.104  -4.021  -8.873
  247   1HD   ARG  28          2HD       ARG  28  15.034  -5.546  -7.031
  248   2HD   ARG  28          1HD       ARG  28  14.911  -6.865  -8.213
  249    HE   ARG  28           HE       ARG  28  16.257  -5.233  -9.744
  250   1HH1  ARG  28          1HH1      ARG  28  16.397  -3.438  -7.161
  251   2HH1  ARG  28          2HH1      ARG  28  18.045  -3.717  -6.713
  252   1HH2  ARG  28          1HH2      ARG  28  18.428  -6.454  -8.807
  253   2HH2  ARG  28          2HH2      ARG  28  19.196  -5.425  -7.645
  Start of MODEL    5
    1   1H    GLU   1          1HT       GLU   1 -14.028  10.027   3.692
    2   2H    GLU   1          2HT       GLU   1 -15.519   9.213   3.693
    3   3H    GLU   1          3HT       GLU   1 -14.855   9.777   2.233
    4    HA   GLU   1           HA       GLU   1 -13.684   7.639   3.944
    5   1HB   GLU   1          2HB       GLU   1 -15.922   7.558   2.385
    6   2HB   GLU   1          1HB       GLU   1 -14.683   7.168   1.191
    7   1HG   GLU   1          2HG       GLU   1 -13.818   5.537   3.084
    8   2HG   GLU   1          1HG       GLU   1 -15.484   5.656   3.652
    9    H    GLN   2           HN       GLN   2 -12.173   6.350   2.291
   10    HA   GLN   2           HA       GLN   2 -10.633   8.295   0.611
   11   1HB   GLN   2          2HB       GLN   2  -9.871   6.776   3.038
   12   2HB   GLN   2          1HB       GLN   2  -8.695   6.721   1.726
   13   1HG   GLN   2          2HG       GLN   2  -8.013   8.667   2.775
   14   2HG   GLN   2          1HG       GLN   2  -9.189   9.334   1.642
   15   1HE2  GLN   2          1HE2      GLN   2 -10.621  10.751   2.633
   16   2HE2  GLN   2          2HE2      GLN   2 -11.146  10.646   4.243
   17    H    TYR   3           HN       TYR   3  -9.002   7.040  -0.787
   18    HA   TYR   3           HA       TYR   3 -10.252   5.210  -2.487
   19   1HB   TYR   3          2HB       TYR   3  -7.876   4.698  -3.200
   20   2HB   TYR   3          1HB       TYR   3  -8.305   6.406  -3.156
   21    HD1  TYR   3           1HD      TYR   3  -6.908   7.873  -2.088
   22    HD2  TYR   3           2HD      TYR   3  -6.882   3.747  -0.878
   23    HE1  TYR   3           1HE      TYR   3  -5.080   8.347  -0.500
   24    HE2  TYR   3           2HE      TYR   3  -5.058   4.235   0.704
   25    HH   TYR   3           HH       TYR   3  -3.134   6.150   0.769
   26    H    THR   4           HN       THR   4  -9.801   2.924  -2.875
   27    HA   THR   4           HA       THR   4  -9.281   1.395  -0.345
   28    HB   THR   4           HB       THR   4 -10.992   0.563  -2.702
   29    HG1  THR   4           1HG      THR   4 -12.611   1.659  -1.883
   30   1HG2  THR   4          1HG2      THR   4 -11.185  -0.233   0.207
   31   2HG2  THR   4          2HG2      THR   4 -10.180  -1.107  -0.949
   32   3HG2  THR   4          3HG2      THR   4 -11.925  -1.023  -1.186
   33    H    ALA   5           HN       ALA   5  -7.193   2.154  -2.184
   34    HA   ALA   5           HA       ALA   5  -6.490   0.396  -4.236
   35   1HB   ALA   5          1HB       ALA   5  -5.335   2.466  -2.976
   36   2HB   ALA   5          2HB       ALA   5  -4.418   1.362  -4.004
   37   3HB   ALA   5          3HB       ALA   5  -4.404   1.147  -2.250
   38    H    LYS   6           HN       LYS   6  -6.173  -1.792  -4.257
   39    HA   LYS   6           HA       LYS   6  -5.502  -3.146  -1.673
   40   1HB   LYS   6          2HB       LYS   6  -6.525  -5.148  -2.788
   41   2HB   LYS   6          1HB       LYS   6  -7.649  -3.808  -2.565
   42   1HG   LYS   6          2HG       LYS   6  -7.722  -3.309  -4.823
   43   2HG   LYS   6          1HG       LYS   6  -6.107  -3.949  -5.126
   44   1HD   LYS   6          2HD       LYS   6  -7.714  -5.471  -6.113
   45   2HD   LYS   6          1HD       LYS   6  -7.012  -6.254  -4.697
   46   1HE   LYS   6          2HE       LYS   6  -8.961  -5.756  -3.356
   47   2HE   LYS   6          1HE       LYS   6  -9.637  -4.726  -4.635
   48   1HZ   LYS   6          1HZ       LYS   6 -10.580  -6.957  -4.732
   49   2HZ   LYS   6          2HZ       LYS   6  -9.026  -7.625  -4.888
   50   3HZ   LYS   6          3HZ       LYS   6  -9.656  -6.636  -6.117
   51    H    TYR   7           HN       TYR   7  -3.766  -4.512  -1.573
   52    HA   TYR   7           HA       TYR   7  -2.133  -4.898  -4.058
   53   1HB   TYR   7          2HB       TYR   7  -1.327  -3.967  -1.302
   54   2HB   TYR   7          1HB       TYR   7  -0.165  -4.540  -2.485
   55    HD1  TYR   7           1HD      TYR   7   0.615  -3.164  -4.167
   56    HD2  TYR   7           2HD      TYR   7  -2.904  -2.082  -1.987
   57    HE1  TYR   7           1HE      TYR   7   0.645  -0.946  -5.256
   58    HE2  TYR   7           2HE      TYR   7  -2.914   0.146  -3.055
   59    HH   TYR   7           HH       TYR   7  -1.058   0.853  -5.802
   60    H    LYS   8           HN       LYS   8  -2.144  -7.083  -4.369
   61    HA   LYS   8           HA       LYS   8  -2.047  -9.404  -3.925
   62   1HB   LYS   8          2HB       LYS   8  -0.118  -7.961  -2.232
   63   2HB   LYS   8          1HB       LYS   8  -0.517  -9.569  -1.629
   64   1HG   LYS   8          2HG       LYS   8   0.322  -8.992  -4.485
   65   2HG   LYS   8          1HG       LYS   8   1.426  -9.547  -3.225
   66   1HD   LYS   8          2HD       LYS   8  -1.080 -11.113  -3.580
   67   2HD   LYS   8          1HD       LYS   8   0.125 -11.251  -4.861
   68   1HE   LYS   8          2HE       LYS   8   1.723 -12.199  -3.439
   69   2HE   LYS   8          1HE       LYS   8   0.985 -11.500  -1.984
   70   1HZ   LYS   8          1HZ       LYS   8  -0.881 -12.932  -2.196
   71   2HZ   LYS   8          2HZ       LYS   8   0.496 -13.913  -2.324
   72   3HZ   LYS   8          3HZ       LYS   8  -0.375 -13.488  -3.720
   73    H    GLY   9           HN       GLY   9  -4.178  -7.683  -2.476
   74   1HA   GLY   9          2HA       GLY   9  -6.067  -8.687  -1.312
   75   2HA   GLY   9          1HA       GLY   9  -4.949  -9.805  -0.534
   76    H    ARG  10           HN       ARG  10  -4.297  -6.350  -0.766
   77    HA   ARG  10           HA       ARG  10  -5.019  -5.998   2.117
   78   1HB   ARG  10          2HB       ARG  10  -2.360  -5.352   0.795
   79   2HB   ARG  10          1HB       ARG  10  -2.779  -4.981   2.467
   80   1HG   ARG  10          2HG       ARG  10  -3.212  -7.452   2.810
   81   2HG   ARG  10          1HG       ARG  10  -2.517  -7.724   1.212
   82   1HD   ARG  10          2HD       ARG  10  -0.452  -6.459   2.026
   83   2HD   ARG  10          1HD       ARG  10  -1.139  -6.585   3.657
   84    HE   ARG  10           HE       ARG  10  -1.279  -9.113   3.132
   85   1HH1  ARG  10          1HH2      ARG  10  -0.042  -8.863   0.405
   86   2HH1  ARG  10          2HH2      ARG  10   1.616  -9.244   0.727
   87   1HH2  ARG  10          1HH1      ARG  10   1.330  -8.787   4.153
   88   2HH2  ARG  10          2HH1      ARG  10   2.394  -9.201   2.849
   89    H    THR  11           HN       THR  11  -6.527  -4.338   1.928
   90    HA   THR  11           HA       THR  11  -6.427  -2.346  -0.170
   91    HB   THR  11           HB       THR  11  -7.968  -2.414   2.435
   92    HG1  THR  11           1HG      THR  11  -9.593  -3.286   1.016
   93   1HG2  THR  11          1HG2      THR  11  -9.569  -0.987   1.105
   94   2HG2  THR  11          2HG2      THR  11  -8.332  -0.872  -0.149
   95   3HG2  THR  11          3HG2      THR  11  -8.028  -0.201   1.452
   96    H    PHE  12           HN       PHE  12  -6.291   0.040   0.305
   97    HA   PHE  12           HA       PHE  12  -4.529   0.669   2.641
   98   1HB   PHE  12          2HB       PHE  12  -4.165   1.212  -0.308
   99   2HB   PHE  12          1HB       PHE  12  -3.459   2.315   0.892
  100    HD1  PHE  12           1HD      PHE  12  -1.590   1.608   2.300
  101    HD2  PHE  12           2HD      PHE  12  -3.602  -1.112  -0.348
  102    HE1  PHE  12           1HE      PHE  12   0.243  -0.052   2.616
  103    HE2  PHE  12           2HE      PHE  12  -1.793  -2.779   0.011
  104    HZ   PHE  12           HZ       PHE  12   0.127  -2.247   1.478
  105    H    ARG  13           HN       ARG  13  -5.174   2.424   3.764
  106    HA   ARG  13           HA       ARG  13  -7.075   4.364   2.495
  107   1HB   ARG  13          2HB       ARG  13  -7.197   2.812   5.078
  108   2HB   ARG  13          1HB       ARG  13  -8.026   4.363   4.945
  109   1HG   ARG  13          2HG       ARG  13  -9.404   3.590   3.161
  110   2HG   ARG  13          1HG       ARG  13  -8.403   2.159   2.913
  111   1HD   ARG  13          2HD       ARG  13 -10.177   1.252   4.145
  112   2HD   ARG  13          1HD       ARG  13  -9.054   1.678   5.452
  113    HE   ARG  13           HE       ARG  13 -10.327   3.801   5.727
  114   1HH1  ARG  13          1HH1      ARG  13 -11.609   2.597   2.946
  115   2HH1  ARG  13          2HH1      ARG  13 -13.262   2.595   3.463
  116   1HH2  ARG  13          1HH2      ARG  13 -12.504   3.238   6.784
  117   2HH2  ARG  13          2HH2      ARG  13 -13.769   2.957   5.634
  118    H    ASN  14           HN       ASN  14  -4.203   4.542   2.804
  119    HA   ASN  14           HA       ASN  14  -3.971   7.115   4.145
  120   1HB   ASN  14          2HB       ASN  14  -4.021   5.126   5.904
  121   2HB   ASN  14          1HB       ASN  14  -2.339   4.933   5.411
  122   1HD2  ASN  14          1HD2      ASN  14  -0.879   6.813   5.751
  123   2HD2  ASN  14          2HD2      ASN  14  -1.268   7.992   6.907
  124    H    GLU  15           HN       GLU  15  -2.516   8.124   2.835
  125    HA   GLU  15           HA       GLU  15  -0.892   6.891   0.873
  126   1HB   GLU  15          2HB       GLU  15  -1.641   9.406   1.540
  127   2HB   GLU  15          1HB       GLU  15   0.035   9.440   2.092
  128   1HG   GLU  15          2HG       GLU  15   0.657   8.471  -0.191
  129   2HG   GLU  15          1HG       GLU  15  -0.991   8.851  -0.690
  130    H    LYS  16           HN       LYS  16  -0.073   7.806   4.220
  131    HA   LYS  16           HA       LYS  16   2.707   7.411   4.178
  132   1HB   LYS  16          2HB       LYS  16   1.055   8.242   6.008
  133   2HB   LYS  16          1HB       LYS  16   0.961   6.539   6.462
  134   1HG   LYS  16          2HG       LYS  16   3.218   6.440   7.074
  135   2HG   LYS  16          1HG       LYS  16   3.645   7.848   6.101
  136   1HD   LYS  16          2HD       LYS  16   2.134   9.196   7.683
  137   2HD   LYS  16          1HD       LYS  16   2.170   7.783   8.737
  138   1HE   LYS  16          2HE       LYS  16   4.831   8.054   8.201
  139   2HE   LYS  16          1HE       LYS  16   4.310   9.750   8.165
  140   1HZ   LYS  16          1HZ       LYS  16   4.841   8.929  10.431
  141   2HZ   LYS  16          2HZ       LYS  16   3.557   7.825  10.296
  142   3HZ   LYS  16          3HZ       LYS  16   3.246   9.492  10.272
  143    H    GLU  17           HN       GLU  17   0.138   5.072   4.656
  144    HA   GLU  17           HA       GLU  17   1.823   2.774   5.161
  145   1HB   GLU  17          2HB       GLU  17  -1.034   3.322   4.407
  146   2HB   GLU  17          1HB       GLU  17  -0.439   1.663   4.343
  147   1HG   GLU  17          2HG       GLU  17  -0.255   3.474   6.765
  148   2HG   GLU  17          1HG       GLU  17  -1.468   2.215   6.533
  149    H    LEU  18           HN       LEU  18  -0.182   3.547   2.315
  150    HA   LEU  18           HA       LEU  18   0.852   1.587   0.575
  151   1HB   LEU  18          2HB       LEU  18  -1.177   3.205   0.433
  152   2HB   LEU  18          1HB       LEU  18  -0.040   4.336  -0.297
  153    HG   LEU  18           HG       LEU  18   0.516   2.617  -2.007
  154   1HD1  LEU  18          1HD1      LEU  18  -0.509   0.783  -0.312
  155   2HD1  LEU  18          2HD1      LEU  18  -0.420   0.516  -2.030
  156   3HD1  LEU  18          3HD1      LEU  18  -1.923   1.056  -1.309
  157   1HD2  LEU  18          1HD2      LEU  18  -2.468   3.072  -1.905
  158   2HD2  LEU  18          2HD2      LEU  18  -1.430   2.991  -3.327
  159   3HD2  LEU  18          3HD2      LEU  18  -1.330   4.377  -2.241
  160    H    ARG  19           HN       ARG  19   1.990   4.933   1.070
  161    HA   ARG  19           HA       ARG  19   3.991   4.950  -0.972
  162   1HB   ARG  19          2HB       ARG  19   3.622   6.337   1.684
  163   2HB   ARG  19          1HB       ARG  19   5.010   6.684   0.653
  164   1HG   ARG  19          2HG       ARG  19   2.320   6.702  -0.633
  165   2HG   ARG  19          1HG       ARG  19   2.717   8.053   0.430
  166   1HD   ARG  19          2HD       ARG  19   4.946   8.187  -0.894
  167   2HD   ARG  19          1HD       ARG  19   4.115   7.190  -2.105
  168    HE   ARG  19           HE       ARG  19   3.024   9.808  -1.134
  169   1HH1  ARG  19          1HH1      ARG  19   1.199   7.999  -2.685
  170   2HH1  ARG  19          2HH1      ARG  19   1.406   8.578  -4.304
  171   1HH2  ARG  19          1HH2      ARG  19   4.323  10.312  -3.594
  172   2HH2  ARG  19          2HH2      ARG  19   3.173   9.890  -4.817
  173    H    ASP  20           HN       ASP  20   3.864   3.306   2.093
  174    HA   ASP  20           HA       ASP  20   6.798   2.795   2.081
  175   1HB   ASP  20          2HB       ASP  20   5.648   3.603   4.130
  176   2HB   ASP  20          1HB       ASP  20   4.609   2.178   4.094
  177    H    PHE  21           HN       PHE  21   3.691   1.223   1.556
  178    HA   PHE  21           HA       PHE  21   4.575  -1.516   1.829
  179   1HB   PHE  21          2HB       PHE  21   2.240  -0.824   1.919
  180   2HB   PHE  21          1HB       PHE  21   2.288  -0.274   0.257
  181    HD1  PHE  21           1HD      PHE  21   2.149  -1.839  -1.575
  182    HD2  PHE  21           2HD      PHE  21   2.668  -3.201   2.452
  183    HE1  PHE  21           1HE      PHE  21   1.747  -4.171  -2.320
  184    HE2  PHE  21           2HE      PHE  21   2.243  -5.544   1.724
  185    HZ   PHE  21           HZ       PHE  21   1.786  -6.026  -0.669
  186    H    ILE  22           HN       ILE  22   3.502  -0.052  -1.237
  187    HA   ILE  22           HA       ILE  22   4.702  -1.800  -3.041
  188    HB   ILE  22           HB       ILE  22   4.259   1.197  -3.227
  189   1HG1  ILE  22          2HG1      ILE  22   2.347  -0.136  -4.723
  190   2HG1  ILE  22          1HG1      ILE  22   2.568  -1.209  -3.346
  191   1HG2  ILE  22          1HG2      ILE  22   4.232   0.823  -5.671
  192   2HG2  ILE  22          2HG2      ILE  22   4.652  -0.870  -5.411
  193   3HG2  ILE  22          3HG2      ILE  22   5.804   0.399  -4.992
  194   1HD1  ILE  22          1HD1      ILE  22   1.535   0.204  -1.944
  195   2HD1  ILE  22          2HD1      ILE  22   0.969   1.040  -3.391
  196   3HD1  ILE  22          3HD1      ILE  22   2.422   1.601  -2.562
  197    H    GLU  23           HN       GLU  23   6.161   0.879  -1.290
  198    HA   GLU  23           HA       GLU  23   8.651   1.066  -2.721
  199   1HB   GLU  23          2HB       GLU  23   7.397   2.060  -0.291
  200   2HB   GLU  23          1HB       GLU  23   9.084   1.653   0.017
  201   1HG   GLU  23          2HG       GLU  23   8.173   3.359  -2.316
  202   2HG   GLU  23          1HG       GLU  23   8.721   4.021  -0.775
  203    H    LYS  24           HN       LYS  24   7.525  -1.003  -0.084
  204    HA   LYS  24           HA       LYS  24  10.160  -2.315   0.207
  205   1HB   LYS  24          2HB       LYS  24   7.606  -2.071   1.646
  206   2HB   LYS  24          1HB       LYS  24   8.257  -3.710   1.678
  207   1HG   LYS  24          2HG       LYS  24   9.471  -2.924   3.443
  208   2HG   LYS  24          1HG       LYS  24  10.516  -2.272   2.181
  209   1HD   LYS  24          2HD       LYS  24   9.006  -0.196   2.224
  210   2HD   LYS  24          1HD       LYS  24   8.353  -0.841   3.730
  211   1HE   LYS  24          2HE       LYS  24  10.569  -0.820   4.758
  212   2HE   LYS  24          1HE       LYS  24  11.302  -0.300   3.228
  213   1HZ   LYS  24          1HZ       LYS  24   9.954   1.676   3.254
  214   2HZ   LYS  24          2HZ       LYS  24  10.811   1.582   4.715
  215   3HZ   LYS  24          3HZ       LYS  24   9.162   1.173   4.670
  216    H    PHE  25           HN       PHE  25   6.812  -3.431  -0.479
  217    HA   PHE  25           HA       PHE  25   7.812  -5.891  -1.686
  218   1HB   PHE  25          2HB       PHE  25   5.803  -5.770  -0.232
  219   2HB   PHE  25          1HB       PHE  25   5.023  -4.733  -1.427
  220    HD1  PHE  25           1HD      PHE  25   3.403  -5.868  -2.626
  221    HD2  PHE  25           2HD      PHE  25   7.054  -7.889  -1.624
  222    HE1  PHE  25           1HE      PHE  25   2.635  -7.870  -3.877
  223    HE2  PHE  25           2HE      PHE  25   6.290  -9.893  -2.873
  224    HZ   PHE  25           HZ       PHE  25   4.079  -9.883  -3.999
  225    H    LYS  26           HN       LYS  26   8.879  -3.930  -3.220
  226    HA   LYS  26           HA       LYS  26   7.317  -2.841  -5.329
  227   1HB   LYS  26          2HB       LYS  26  10.167  -3.458  -4.764
  228   2HB   LYS  26          1HB       LYS  26   9.753  -3.172  -6.455
  229   1HG   LYS  26          2HG       LYS  26   8.430  -1.108  -5.397
  230   2HG   LYS  26          1HG       LYS  26   9.648  -1.294  -4.135
  231   1HD   LYS  26          2HD       LYS  26  10.843   0.075  -5.542
  232   2HD   LYS  26          1HD       LYS  26  11.251  -1.473  -6.286
  233   1HE   LYS  26          2HE       LYS  26   8.999  -1.036  -7.641
  234   2HE   LYS  26          1HE       LYS  26   9.380   0.655  -7.258
  235   1HZ   LYS  26          1HZ       LYS  26  11.166  -1.329  -8.560
  236   2HZ   LYS  26          2HZ       LYS  26  11.680   0.197  -8.018
  237   3HZ   LYS  26          3HZ       LYS  26  10.527   0.077  -9.260
  238    H    GLY  27           HN       GLY  27   8.432  -6.074  -4.797
  239   1HA   GLY  27          2HA       GLY  27   7.059  -7.747  -6.169
  240   2HA   GLY  27          1HA       GLY  27   7.627  -6.836  -7.570
  241    H    ARG  28           HN       ARG  28  10.163  -6.548  -7.507
  242    HA   ARG  28           HA       ARG  28  11.301  -9.259  -7.438
  243   1HB   ARG  28          2HB       ARG  28  12.182  -6.502  -8.298
  244   2HB   ARG  28          1HB       ARG  28  13.314  -7.855  -8.287
  245   1HG   ARG  28          2HG       ARG  28  11.265  -9.036  -9.569
  246   2HG   ARG  28          1HG       ARG  28  10.963  -7.366 -10.047
  247   1HD   ARG  28          2HD       ARG  28  13.805  -8.092 -10.244
  248   2HD   ARG  28          1HD       ARG  28  12.761  -9.067 -11.297
  249    HE   ARG  28           HE       ARG  28  11.877  -6.961 -12.246
  250   1HH1  ARG  28          1HH1      ARG  28  12.631  -5.122 -10.001
  251   2HH1  ARG  28          2HH1      ARG  28  14.003  -4.294 -10.657
  252   1HH2  ARG  28          1HH2      ARG  28  14.521  -6.605 -13.190
  253   2HH2  ARG  28          2HH2      ARG  28  15.074  -5.133 -12.462
  Start of MODEL    6
    1   1H    GLU   1          1HT       GLU   1 -12.549   9.059   4.074
    2   2H    GLU   1          2HT       GLU   1 -11.927   7.649   4.790
    3   3H    GLU   1          3HT       GLU   1 -13.553   8.078   5.027
    4    HA   GLU   1           HA       GLU   1 -13.313   6.262   3.396
    5   1HB   GLU   1          2HB       GLU   1 -14.511   8.947   3.005
    6   2HB   GLU   1          1HB       GLU   1 -14.466   7.926   1.569
    7   1HG   GLU   1          2HG       GLU   1 -16.491   7.276   2.523
    8   2HG   GLU   1          1HG       GLU   1 -15.388   6.081   3.207
    9    H    GLN   2           HN       GLN   2 -10.619   7.057   3.395
   10    HA   GLN   2           HA       GLN   2  -9.690   8.322   1.001
   11   1HB   GLN   2          2HB       GLN   2  -8.662   6.664   3.213
   12   2HB   GLN   2          1HB       GLN   2  -7.748   6.485   1.715
   13   1HG   GLN   2          2HG       GLN   2  -6.663   8.331   2.565
   14   2HG   GLN   2          1HG       GLN   2  -7.974   9.157   1.722
   15   1HE2  GLN   2          1HE2      GLN   2  -8.684  10.821   3.068
   16   2HE2  GLN   2          2HE2      GLN   2  -8.986  10.661   4.731
   17    H    TYR   3           HN       TYR   3  -8.323   6.968  -0.661
   18    HA   TYR   3           HA       TYR   3  -9.988   5.401  -2.267
   19   1HB   TYR   3          2HB       TYR   3  -7.792   4.653  -3.296
   20   2HB   TYR   3          1HB       TYR   3  -8.022   6.391  -3.145
   21    HD1  TYR   3           1HD      TYR   3  -6.269   7.620  -2.349
   22    HD2  TYR   3           2HD      TYR   3  -6.680   3.548  -1.043
   23    HE1  TYR   3           1HE      TYR   3  -4.196   7.829  -1.027
   24    HE2  TYR   3           2HE      TYR   3  -4.618   3.763   0.271
   25    HH   TYR   3           HH       TYR   3  -2.524   5.200   0.196
   26    H    THR   4           HN       THR   4  -9.799   3.076  -2.829
   27    HA   THR   4           HA       THR   4  -9.377   1.407  -0.374
   28    HB   THR   4           HB       THR   4 -11.031   0.807  -2.842
   29    HG1  THR   4           1HG      THR   4 -11.824   1.992  -0.391
   30   1HG2  THR   4          1HG2      THR   4 -11.713  -0.207  -0.138
   31   2HG2  THR   4          2HG2      THR   4 -10.252  -0.871  -0.870
   32   3HG2  THR   4          3HG2      THR   4 -11.800  -1.019  -1.701
   33    H    ALA   5           HN       ALA   5  -7.258   2.176  -2.306
   34    HA   ALA   5           HA       ALA   5  -6.553   0.341  -4.271
   35   1HB   ALA   5          1HB       ALA   5  -5.388   2.445  -3.086
   36   2HB   ALA   5          2HB       ALA   5  -4.466   1.291  -4.055
   37   3HB   ALA   5          3HB       ALA   5  -4.473   1.152  -2.293
   38    H    LYS   6           HN       LYS   6  -6.184  -1.843  -4.232
   39    HA   LYS   6           HA       LYS   6  -5.494  -3.105  -1.603
   40   1HB   LYS   6          2HB       LYS   6  -6.618  -5.119  -2.551
   41   2HB   LYS   6          1HB       LYS   6  -7.703  -3.737  -2.396
   42   1HG   LYS   6          2HG       LYS   6  -7.489  -3.231  -4.758
   43   2HG   LYS   6          1HG       LYS   6  -6.248  -4.470  -4.953
   44   1HD   LYS   6          2HD       LYS   6  -8.914  -5.263  -3.836
   45   2HD   LYS   6          1HD       LYS   6  -8.771  -4.990  -5.573
   46   1HE   LYS   6          2HE       LYS   6  -7.187  -6.728  -5.840
   47   2HE   LYS   6          1HE       LYS   6  -6.809  -6.764  -4.105
   48   1HZ   LYS   6          1HZ       LYS   6  -8.982  -7.556  -3.612
   49   2HZ   LYS   6          2HZ       LYS   6  -8.364  -8.550  -4.844
   50   3HZ   LYS   6          3HZ       LYS   6  -9.501  -7.343  -5.212
   51    H    TYR   7           HN       TYR   7  -3.747  -4.440  -1.525
   52    HA   TYR   7           HA       TYR   7  -2.252  -4.951  -4.075
   53   1HB   TYR   7          2HB       TYR   7  -1.286  -4.036  -1.362
   54   2HB   TYR   7          1HB       TYR   7  -0.208  -4.614  -2.622
   55    HD1  TYR   7           1HD      TYR   7   0.549  -3.194  -4.254
   56    HD2  TYR   7           2HD      TYR   7  -2.947  -2.173  -2.015
   57    HE1  TYR   7           1HE      TYR   7   0.537  -0.969  -5.327
   58    HE2  TYR   7           2HE      TYR   7  -3.004   0.065  -3.066
   59    HH   TYR   7           HH       TYR   7  -2.166   1.123  -5.163
   60    H    LYS   8           HN       LYS   8  -2.253  -7.134  -4.367
   61    HA   LYS   8           HA       LYS   8  -2.202  -9.455  -3.901
   62   1HB   LYS   8          2HB       LYS   8   0.022  -8.266  -3.000
   63   2HB   LYS   8          1HB       LYS   8  -0.600  -8.847  -1.454
   64   1HG   LYS   8          2HG       LYS   8   0.742 -10.630  -2.238
   65   2HG   LYS   8          1HG       LYS   8  -0.903 -11.119  -2.648
   66   1HD   LYS   8          2HD       LYS   8  -0.583 -10.211  -4.936
   67   2HD   LYS   8          1HD       LYS   8   1.081  -9.797  -4.523
   68   1HE   LYS   8          2HE       LYS   8   1.789 -11.965  -4.699
   69   2HE   LYS   8          1HE       LYS   8   0.313 -12.605  -3.949
   70   1HZ   LYS   8          1HZ       LYS   8  -0.900 -12.042  -5.981
   71   2HZ   LYS   8          2HZ       LYS   8   0.348 -13.152  -6.295
   72   3HZ   LYS   8          3HZ       LYS   8   0.546 -11.520  -6.707
   73    H    GLY   9           HN       GLY   9  -4.288  -7.712  -2.457
   74   1HA   GLY   9          2HA       GLY   9  -6.161  -8.623  -1.217
   75   2HA   GLY   9          1HA       GLY   9  -5.065  -9.789  -0.476
   76    H    ARG  10           HN       ARG  10  -4.463  -6.305  -0.743
   77    HA   ARG  10           HA       ARG  10  -4.989  -5.968   2.176
   78   1HB   ARG  10          2HB       ARG  10  -2.387  -5.375   0.725
   79   2HB   ARG  10          1HB       ARG  10  -2.715  -4.980   2.412
   80   1HG   ARG  10          2HG       ARG  10  -3.138  -7.415   2.842
   81   2HG   ARG  10          1HG       ARG  10  -2.627  -7.751   1.187
   82   1HD   ARG  10          2HD       ARG  10  -0.434  -6.597   1.718
   83   2HD   ARG  10          1HD       ARG  10  -0.950  -6.559   3.416
   84    HE   ARG  10           HE       ARG  10  -0.226  -8.973   1.892
   85   1HH1  ARG  10          1HH1      ARG  10   0.172  -7.967   4.878
   86   2HH1  ARG  10          2HH1      ARG  10  -0.672  -9.236   5.702
   87   1HH2  ARG  10          1HH2      ARG  10  -2.182 -10.458   2.829
   88   2HH2  ARG  10          2HH2      ARG  10  -2.003 -10.647   4.542
   89    H    THR  11           HN       THR  11  -6.550  -4.344   1.952
   90    HA   THR  11           HA       THR  11  -6.481  -2.326  -0.105
   91    HB   THR  11           HB       THR  11  -7.942  -2.362   2.545
   92    HG1  THR  11           1HG      THR  11  -8.938  -3.978   1.677
   93   1HG2  THR  11          1HG2      THR  11  -9.608  -1.035   1.081
   94   2HG2  THR  11          2HG2      THR  11  -8.252  -0.816  -0.029
   95   3HG2  THR  11          3HG2      THR  11  -8.153  -0.192   1.617
   96    H    PHE  12           HN       PHE  12  -6.316   0.049   0.355
   97    HA   PHE  12           HA       PHE  12  -4.500   0.688   2.647
   98   1HB   PHE  12          2HB       PHE  12  -4.195   1.208  -0.319
   99   2HB   PHE  12          1HB       PHE  12  -3.427   2.284   0.869
  100    HD1  PHE  12           1HD      PHE  12  -1.578   1.498   2.274
  101    HD2  PHE  12           2HD      PHE  12  -3.666  -1.110  -0.428
  102    HE1  PHE  12           1HE      PHE  12   0.223  -0.211   2.528
  103    HE2  PHE  12           2HE      PHE  12  -1.895  -2.821  -0.134
  104    HZ   PHE  12           HZ       PHE  12   0.050  -2.373   1.331
  105    H    ARG  13           HN       ARG  13  -5.296   2.342   3.829
  106    HA   ARG  13           HA       ARG  13  -7.154   4.301   2.517
  107   1HB   ARG  13          2HB       ARG  13  -7.320   2.617   4.951
  108   2HB   ARG  13          1HB       ARG  13  -7.847   4.287   5.166
  109   1HG   ARG  13          2HG       ARG  13  -9.433   4.081   3.343
  110   2HG   ARG  13          1HG       ARG  13  -8.829   2.472   2.945
  111   1HD   ARG  13          2HD       ARG  13 -10.893   2.255   4.253
  112   2HD   ARG  13          1HD       ARG  13  -9.526   1.713   5.249
  113    HE   ARG  13           HE       ARG  13  -9.539   3.972   6.312
  114   1HH1  ARG  13          1HH2      ARG  13 -11.737   4.235   3.846
  115   2HH1  ARG  13          2HH2      ARG  13 -13.053   4.809   4.814
  116   1HH2  ARG  13          1HH1      ARG  13 -11.455   4.181   7.829
  117   2HH2  ARG  13          2HH1      ARG  13 -12.894   4.778   7.071
  118    H    ASN  14           HN       ASN  14  -4.266   4.512   2.789
  119    HA   ASN  14           HA       ASN  14  -4.085   7.127   4.077
  120   1HB   ASN  14          2HB       ASN  14  -3.928   5.016   5.776
  121   2HB   ASN  14          1HB       ASN  14  -2.234   5.144   5.300
  122   1HD2  ASN  14          1HD2      ASN  14  -1.093   7.162   5.824
  123   2HD2  ASN  14          2HD2      ASN  14  -1.716   8.243   6.974
  124    H    GLU  15           HN       GLU  15  -2.363   8.242   3.167
  125    HA   GLU  15           HA       GLU  15  -0.951   7.124   0.922
  126   1HB   GLU  15          2HB       GLU  15  -1.607   9.573   1.628
  127   2HB   GLU  15          1HB       GLU  15  -0.043   9.553   2.444
  128   1HG   GLU  15          2HG       GLU  15   0.721   8.548   0.073
  129   2HG   GLU  15          1HG       GLU  15  -0.661   9.500  -0.470
  130    H    LYS  16           HN       LYS  16   0.072   7.855   4.265
  131    HA   LYS  16           HA       LYS  16   2.808   7.292   4.067
  132   1HB   LYS  16          2HB       LYS  16   0.835   7.714   6.073
  133   2HB   LYS  16          1HB       LYS  16   1.753   6.288   6.547
  134   1HG   LYS  16          2HG       LYS  16   3.664   8.168   5.621
  135   2HG   LYS  16          1HG       LYS  16   2.544   9.072   6.637
  136   1HD   LYS  16          2HD       LYS  16   2.851   7.430   8.450
  137   2HD   LYS  16          1HD       LYS  16   3.965   6.515   7.435
  138   1HE   LYS  16          2HE       LYS  16   5.048   9.046   7.297
  139   2HE   LYS  16          1HE       LYS  16   4.445   8.986   8.965
  140   1HZ   LYS  16          1HZ       LYS  16   6.591   7.993   8.965
  141   2HZ   LYS  16          2HZ       LYS  16   6.221   7.023   7.621
  142   3HZ   LYS  16          3HZ       LYS  16   5.466   6.728   9.111
  143    H    GLU  17           HN       GLU  17   0.218   5.052   4.894
  144    HA   GLU  17           HA       GLU  17   1.728   2.668   5.196
  145   1HB   GLU  17          2HB       GLU  17  -1.079   3.271   4.236
  146   2HB   GLU  17          1HB       GLU  17  -0.515   1.622   4.480
  147   1HG   GLU  17          2HG       GLU  17  -0.541   3.797   6.588
  148   2HG   GLU  17          1HG       GLU  17  -1.699   2.474   6.464
  149    H    LEU  18           HN       LEU  18  -0.279   3.406   2.352
  150    HA   LEU  18           HA       LEU  18   0.778   1.479   0.615
  151   1HB   LEU  18          2HB       LEU  18  -1.262   3.036   0.434
  152   2HB   LEU  18          1HB       LEU  18  -0.145   4.233  -0.220
  153    HG   LEU  18           HG       LEU  18   0.540   2.549  -1.946
  154   1HD1  LEU  18          1HD1      LEU  18  -0.538   0.662  -0.389
  155   2HD1  LEU  18          2HD1      LEU  18  -0.474   0.474  -2.113
  156   3HD1  LEU  18          3HD1      LEU  18  -1.959   1.013  -1.355
  157   1HD2  LEU  18          1HD2      LEU  18  -2.214   3.686  -1.694
  158   2HD2  LEU  18          2HD2      LEU  18  -1.884   2.601  -3.044
  159   3HD2  LEU  18          3HD2      LEU  18  -0.942   4.079  -2.852
  160    H    ARG  19           HN       ARG  19   1.908   4.837   1.085
  161    HA   ARG  19           HA       ARG  19   3.902   4.860  -0.956
  162   1HB   ARG  19          2HB       ARG  19   3.538   6.234   1.704
  163   2HB   ARG  19          1HB       ARG  19   4.942   6.570   0.691
  164   1HG   ARG  19          2HG       ARG  19   2.243   6.630  -0.589
  165   2HG   ARG  19          1HG       ARG  19   2.706   7.990   0.434
  166   1HD   ARG  19          2HD       ARG  19   4.543   8.560  -0.944
  167   2HD   ARG  19          1HD       ARG  19   4.564   6.964  -1.721
  168    HE   ARG  19           HE       ARG  19   2.810   9.175  -2.444
  169   1HH1  ARG  19          1HH2      ARG  19   3.954   6.271  -3.495
  170   2HH1  ARG  19          2HH2      ARG  19   2.475   5.709  -4.200
  171   1HH2  ARG  19          1HH1      ARG  19   0.545   8.239  -2.822
  172   2HH2  ARG  19          2HH1      ARG  19   0.546   6.823  -3.820
  173    H    ASP  20           HN       ASP  20   3.792   3.213   2.113
  174    HA   ASP  20           HA       ASP  20   6.718   2.677   2.085
  175   1HB   ASP  20          2HB       ASP  20   5.592   3.440   4.154
  176   2HB   ASP  20          1HB       ASP  20   4.508   2.051   4.077
  177    H    PHE  21           HN       PHE  21   3.621   1.143   1.439
  178    HA   PHE  21           HA       PHE  21   4.502  -1.608   1.682
  179   1HB   PHE  21          2HB       PHE  21   2.166  -0.901   1.786
  180   2HB   PHE  21          1HB       PHE  21   2.213  -0.354   0.123
  181    HD1  PHE  21           1HD      PHE  21   2.116  -1.934  -1.711
  182    HD2  PHE  21           2HD      PHE  21   2.570  -3.267   2.335
  183    HE1  PHE  21           1HE      PHE  21   1.708  -4.270  -2.440
  184    HE2  PHE  21           2HE      PHE  21   2.159  -5.615   1.617
  185    HZ   PHE  21           HZ       PHE  21   1.728  -6.113  -0.776
  186    H    ILE  22           HN       ILE  22   3.413  -0.112  -1.368
  187    HA   ILE  22           HA       ILE  22   4.648  -1.819  -3.186
  188    HB   ILE  22           HB       ILE  22   4.165   1.174  -3.354
  189   1HG1  ILE  22          2HG1      ILE  22   2.270  -0.175  -4.857
  190   2HG1  ILE  22          1HG1      ILE  22   2.496  -1.248  -3.481
  191   1HG2  ILE  22          1HG2      ILE  22   4.089   0.741  -5.818
  192   2HG2  ILE  22          2HG2      ILE  22   4.663  -0.898  -5.510
  193   3HG2  ILE  22          3HG2      ILE  22   5.695   0.482  -5.131
  194   1HD1  ILE  22          1HD1      ILE  22   1.476   0.166  -2.067
  195   2HD1  ILE  22          2HD1      ILE  22   0.868   0.965  -3.514
  196   3HD1  ILE  22          3HD1      ILE  22   2.320   1.573  -2.719
  197    H    GLU  23           HN       GLU  23   6.042   0.887  -1.418
  198    HA   GLU  23           HA       GLU  23   8.552   1.092  -2.827
  199   1HB   GLU  23          2HB       GLU  23   7.608   2.788  -1.272
  200   2HB   GLU  23          1HB       GLU  23   7.814   1.662   0.068
  201   1HG   GLU  23          2HG       GLU  23   9.858   2.600   0.340
  202   2HG   GLU  23          1HG       GLU  23  10.332   1.685  -1.091
  203    H    LYS  24           HN       LYS  24   7.442  -0.823  -0.052
  204    HA   LYS  24           HA       LYS  24  10.054  -2.108   0.354
  205   1HB   LYS  24          2HB       LYS  24   7.388  -1.947   1.608
  206   2HB   LYS  24          1HB       LYS  24   8.139  -3.536   1.749
  207   1HG   LYS  24          2HG       LYS  24   9.900  -1.204   2.292
  208   2HG   LYS  24          1HG       LYS  24   8.637  -1.519   3.482
  209   1HD   LYS  24          2HD       LYS  24   9.501  -4.027   3.191
  210   2HD   LYS  24          1HD       LYS  24  10.986  -3.201   2.719
  211   1HE   LYS  24          2HE       LYS  24   9.920  -1.912   5.074
  212   2HE   LYS  24          1HE       LYS  24  10.046  -3.657   5.364
  213   1HZ   LYS  24          1HZ       LYS  24  12.161  -2.601   5.806
  214   2HZ   LYS  24          2HZ       LYS  24  12.179  -1.906   4.260
  215   3HZ   LYS  24          3HZ       LYS  24  12.295  -3.593   4.433
  216    H    PHE  25           HN       PHE  25   6.789  -3.235  -0.636
  217    HA   PHE  25           HA       PHE  25   7.873  -5.751  -1.636
  218   1HB   PHE  25          2HB       PHE  25   5.719  -5.583  -0.434
  219   2HB   PHE  25          1HB       PHE  25   5.100  -4.528  -1.704
  220    HD1  PHE  25           1HD      PHE  25   3.565  -5.631  -3.040
  221    HD2  PHE  25           2HD      PHE  25   7.063  -7.736  -1.713
  222    HE1  PHE  25           1HE      PHE  25   2.878  -7.609  -4.372
  223    HE2  PHE  25           2HE      PHE  25   6.381  -9.715  -3.045
  224    HZ   PHE  25           HZ       PHE  25   4.286  -9.652  -4.373
  225    H    LYS  26           HN       LYS  26   9.151  -3.864  -3.106
  226    HA   LYS  26           HA       LYS  26   7.714  -3.029  -5.486
  227   1HB   LYS  26          2HB       LYS  26  10.469  -2.967  -4.379
  228   2HB   LYS  26          1HB       LYS  26  10.332  -2.829  -6.133
  229   1HG   LYS  26          2HG       LYS  26   8.393  -1.103  -5.430
  230   2HG   LYS  26          1HG       LYS  26   9.423  -0.950  -4.007
  231   1HD   LYS  26          2HD       LYS  26  11.372  -0.529  -5.510
  232   2HD   LYS  26          1HD       LYS  26  10.277  -0.567  -6.892
  233   1HE   LYS  26          2HE       LYS  26   9.815   1.305  -4.555
  234   2HE   LYS  26          1HE       LYS  26  10.806   1.766  -5.954
  235   1HZ   LYS  26          1HZ       LYS  26   8.945   1.070  -7.393
  236   2HZ   LYS  26          2HZ       LYS  26   8.536   2.377  -6.385
  237   3HZ   LYS  26          3HZ       LYS  26   7.993   0.810  -6.013
  238    H    GLY  27           HN       GLY  27   9.384  -5.907  -4.538
  239   1HA   GLY  27          2HA       GLY  27   9.011  -7.991  -5.766
  240   2HA   GLY  27          1HA       GLY  27   8.912  -7.044  -7.252
  241    H    ARG  28           HN       ARG  28  11.366  -6.602  -4.753
  242    HA   ARG  28           HA       ARG  28  13.475  -7.098  -6.782
  243   1HB   ARG  28          2HB       ARG  28  13.128  -5.156  -4.963
  244   2HB   ARG  28          1HB       ARG  28  14.032  -6.292  -3.959
  245   1HG   ARG  28          2HG       ARG  28  15.939  -6.152  -5.272
  246   2HG   ARG  28          1HG       ARG  28  15.035  -5.715  -6.722
  247   1HD   ARG  28          2HD       ARG  28  14.603  -3.650  -4.773
  248   2HD   ARG  28          1HD       ARG  28  16.347  -3.953  -4.890
  249    HE   ARG  28           HE       ARG  28  14.756  -3.664  -7.395
  250   1HH1  ARG  28          1HH1      ARG  28  16.093  -1.522  -5.291
  251   2HH1  ARG  28          2HH1      ARG  28  17.303  -0.903  -6.363
  252   1HH2  ARG  28          1HH2      ARG  28  16.811  -3.352  -8.766
  253   2HH2  ARG  28          2HH2      ARG  28  17.712  -1.939  -8.330
  Start of MODEL    7
    1   1H    GLU   1          1HT       GLU   1 -11.484   9.312   5.093
    2   2H    GLU   1          2HT       GLU   1 -13.155   9.595   5.208
    3   3H    GLU   1          3HT       GLU   1 -12.186  10.599   4.239
    4    HA   GLU   1           HA       GLU   1 -12.737   7.714   3.745
    5   1HB   GLU   1          2HB       GLU   1 -14.047  10.255   3.121
    6   2HB   GLU   1          1HB       GLU   1 -13.644   9.354   1.659
    7   1HG   GLU   1          2HG       GLU   1 -14.959   7.512   2.276
    8   2HG   GLU   1          1HG       GLU   1 -14.952   7.956   3.982
    9    H    GLN   2           HN       GLN   2 -11.409   6.803   2.193
   10    HA   GLN   2           HA       GLN   2  -9.724   8.522   0.463
   11   1HB   GLN   2          2HB       GLN   2  -8.824   7.693   2.939
   12   2HB   GLN   2          1HB       GLN   2  -8.204   6.427   1.880
   13   1HG   GLN   2          2HG       GLN   2  -6.486   7.984   1.738
   14   2HG   GLN   2          1HG       GLN   2  -7.487   8.479   0.372
   15   1HE2  GLN   2          1HE2      GLN   2  -8.112  10.644   0.368
   16   2HE2  GLN   2          2HE2      GLN   2  -8.105  11.661   1.726
   17    H    TYR   3           HN       TYR   3  -8.397   7.048  -1.052
   18    HA   TYR   3           HA       TYR   3 -10.036   5.283  -2.483
   19   1HB   TYR   3          2HB       TYR   3  -7.845   4.534  -3.492
   20   2HB   TYR   3          1HB       TYR   3  -8.106   6.275  -3.464
   21    HD1  TYR   3           1HD      TYR   3  -6.405   7.615  -2.724
   22    HD2  TYR   3           2HD      TYR   3  -6.643   3.588  -1.239
   23    HE1  TYR   3           1HE      TYR   3  -4.321   7.956  -1.446
   24    HE2  TYR   3           2HE      TYR   3  -4.566   3.938   0.028
   25    HH   TYR   3           HH       TYR   3  -2.508   5.484  -0.190
   26    H    THR   4           HN       THR   4  -9.551   2.910  -2.895
   27    HA   THR   4           HA       THR   4  -8.969   1.489  -0.319
   28    HB   THR   4           HB       THR   4 -10.661  -0.199  -1.473
   29    HG1  THR   4           1HG      THR   4 -11.535   2.282  -2.516
   30   1HG2  THR   4          1HG2      THR   4 -11.092   2.245   0.161
   31   2HG2  THR   4          2HG2      THR   4 -11.450   0.559   0.537
   32   3HG2  THR   4          3HG2      THR   4 -12.533   1.480  -0.508
   33    H    ALA   5           HN       ALA   5  -7.035   2.060  -2.393
   34    HA   ALA   5           HA       ALA   5  -6.543   0.136  -4.352
   35   1HB   ALA   5          1HB       ALA   5  -5.244   2.249  -3.493
   36   2HB   ALA   5          2HB       ALA   5  -4.344   0.934  -4.254
   37   3HB   ALA   5          3HB       ALA   5  -4.380   1.074  -2.492
   38    H    LYS   6           HN       LYS   6  -6.240  -2.060  -4.238
   39    HA   LYS   6           HA       LYS   6  -5.485  -3.241  -1.591
   40   1HB   LYS   6          2HB       LYS   6  -6.588  -5.293  -2.522
   41   2HB   LYS   6          1HB       LYS   6  -7.678  -3.917  -2.371
   42   1HG   LYS   6          2HG       LYS   6  -7.651  -3.491  -4.696
   43   2HG   LYS   6          1HG       LYS   6  -6.202  -4.464  -4.944
   44   1HD   LYS   6          2HD       LYS   6  -7.734  -6.402  -3.985
   45   2HD   LYS   6          1HD       LYS   6  -9.035  -5.353  -4.549
   46   1HE   LYS   6          2HE       LYS   6  -6.769  -5.800  -6.440
   47   2HE   LYS   6          1HE       LYS   6  -7.887  -7.154  -6.180
   48   1HZ   LYS   6          1HZ       LYS   6  -9.737  -5.580  -6.515
   49   2HZ   LYS   6          2HZ       LYS   6  -8.770  -5.743  -7.898
   50   3HZ   LYS   6          3HZ       LYS   6  -8.617  -4.367  -6.913
   51    H    TYR   7           HN       TYR   7  -3.769  -4.644  -1.469
   52    HA   TYR   7           HA       TYR   7  -2.216  -5.164  -3.985
   53   1HB   TYR   7          2HB       TYR   7  -1.319  -4.284  -1.239
   54   2HB   TYR   7          1HB       TYR   7  -0.209  -4.865  -2.477
   55    HD1  TYR   7           1HD      TYR   7   0.571  -3.449  -4.130
   56    HD2  TYR   7           2HD      TYR   7  -2.903  -2.371  -1.887
   57    HE1  TYR   7           1HE      TYR   7   0.612  -1.202  -5.174
   58    HE2  TYR   7           2HE      TYR   7  -2.900  -0.122  -2.919
   59    HH   TYR   7           HH       TYR   7  -1.533   0.660  -5.587
   60    H    LYS   8           HN       LYS   8  -2.406  -7.349  -4.261
   61    HA   LYS   8           HA       LYS   8  -2.442  -9.672  -3.778
   62   1HB   LYS   8          2HB       LYS   8  -0.440  -8.459  -1.868
   63   2HB   LYS   8          1HB       LYS   8  -0.691 -10.203  -1.950
   64   1HG   LYS   8          2HG       LYS   8  -0.093  -8.519  -4.392
   65   2HG   LYS   8          1HG       LYS   8   1.169  -9.298  -3.437
   66   1HD   LYS   8          2HD       LYS   8  -0.102 -11.482  -3.763
   67   2HD   LYS   8          1HD       LYS   8  -1.086 -10.628  -4.953
   68   1HE   LYS   8          2HE       LYS   8   1.943 -10.693  -5.104
   69   2HE   LYS   8          1HE       LYS   8   0.912 -11.881  -5.926
   70   1HZ   LYS   8          1HZ       LYS   8   0.867  -8.930  -6.252
   71   2HZ   LYS   8          2HZ       LYS   8  -0.342  -9.957  -6.860
   72   3HZ   LYS   8          3HZ       LYS   8   1.252 -10.086  -7.431
   73    H    GLY   9           HN       GLY   9  -4.355  -7.819  -2.229
   74   1HA   GLY   9          2HA       GLY   9  -6.192  -8.703  -0.887
   75   2HA   GLY   9          1HA       GLY   9  -5.055  -9.817  -0.132
   76    H    ARG  10           HN       ARG  10  -4.470  -6.344  -0.616
   77    HA   ARG  10           HA       ARG  10  -4.882  -5.858   2.303
   78   1HB   ARG  10          2HB       ARG  10  -2.345  -5.317   0.722
   79   2HB   ARG  10          1HB       ARG  10  -2.607  -4.864   2.405
   80   1HG   ARG  10          2HG       ARG  10  -3.007  -7.300   2.919
   81   2HG   ARG  10          1HG       ARG  10  -2.513  -7.671   1.266
   82   1HD   ARG  10          2HD       ARG  10  -0.312  -6.624   1.673
   83   2HD   ARG  10          1HD       ARG  10  -0.802  -6.244   3.337
   84    HE   ARG  10           HE       ARG  10  -1.025  -8.693   3.730
   85   1HH1  ARG  10          1HH2      ARG  10  -0.884  -9.035   0.582
   86   2HH1  ARG  10          2HH2      ARG  10   0.622  -9.882   0.470
   87   1HH2  ARG  10          1HH1      ARG  10   1.569  -9.174   3.730
   88   2HH2  ARG  10          2HH1      ARG  10   2.011  -9.961   2.251
   89    H    THR  11           HN       THR  11  -6.490  -4.254   2.010
   90    HA   THR  11           HA       THR  11  -6.374  -2.299  -0.124
   91    HB   THR  11           HB       THR  11  -7.958  -2.294   2.457
   92    HG1  THR  11           1HG      THR  11  -9.337  -3.580   1.450
   93   1HG2  THR  11          1HG2      THR  11  -8.365  -0.191   1.619
   94   2HG2  THR  11          2HG2      THR  11  -9.525  -1.086   0.635
   95   3HG2  THR  11          3HG2      THR  11  -7.949  -0.657  -0.030
   96    H    PHE  12           HN       PHE  12  -6.144   0.060   0.226
   97    HA   PHE  12           HA       PHE  12  -4.469   0.763   2.605
   98   1HB   PHE  12          2HB       PHE  12  -4.067   1.241  -0.355
   99   2HB   PHE  12          1HB       PHE  12  -3.317   2.313   0.846
  100    HD1  PHE  12           1HD      PHE  12  -1.608   1.464   2.407
  101    HD2  PHE  12           2HD      PHE  12  -3.484  -1.047  -0.529
  102    HE1  PHE  12           1HE      PHE  12   0.144  -0.267   2.770
  103    HE2  PHE  12           2HE      PHE  12  -1.750  -2.783  -0.151
  104    HZ   PHE  12           HZ       PHE  12   0.066  -2.394   1.494
  105    H    ARG  13           HN       ARG  13  -5.452   2.342   3.752
  106    HA   ARG  13           HA       ARG  13  -7.280   4.247   2.328
  107   1HB   ARG  13          2HB       ARG  13  -8.377   4.417   4.570
  108   2HB   ARG  13          1HB       ARG  13  -8.382   2.767   3.950
  109   1HG   ARG  13          2HG       ARG  13  -7.007   2.010   5.597
  110   2HG   ARG  13          1HG       ARG  13  -5.994   3.452   5.545
  111   1HD   ARG  13          2HD       ARG  13  -6.974   4.020   7.522
  112   2HD   ARG  13          1HD       ARG  13  -8.424   4.390   6.568
  113    HE   ARG  13           HE       ARG  13  -9.234   2.121   7.017
  114   1HH1  ARG  13          1HH1      ARG  13  -7.901   3.520   9.591
  115   2HH1  ARG  13          2HH1      ARG  13  -7.309   2.090  10.368
  116   1HH2  ARG  13          1HH2      ARG  13  -7.798   0.061   7.601
  117   2HH2  ARG  13          2HH2      ARG  13  -7.251   0.133   9.242
  118    H    ASN  14           HN       ASN  14  -4.344   4.474   2.622
  119    HA   ASN  14           HA       ASN  14  -4.213   7.212   3.630
  120   1HB   ASN  14          2HB       ASN  14  -4.023   5.212   5.507
  121   2HB   ASN  14          1HB       ASN  14  -2.327   5.464   5.093
  122   1HD2  ASN  14          1HD2      ASN  14  -1.312   7.348   5.899
  123   2HD2  ASN  14          2HD2      ASN  14  -2.121   8.556   6.773
  124    H    GLU  15           HN       GLU  15  -2.317   8.239   2.858
  125    HA   GLU  15           HA       GLU  15  -0.920   6.937   0.667
  126   1HB   GLU  15          2HB       GLU  15  -1.574   9.454   1.227
  127   2HB   GLU  15          1HB       GLU  15   0.025   9.465   1.972
  128   1HG   GLU  15          2HG       GLU  15   1.105   8.939  -0.071
  129   2HG   GLU  15          1HG       GLU  15  -0.403   8.431  -0.832
  130    H    LYS  16           HN       LYS  16   0.090   8.040   3.920
  131    HA   LYS  16           HA       LYS  16   2.808   7.391   3.841
  132   1HB   LYS  16          2HB       LYS  16   0.682   7.447   5.948
  133   2HB   LYS  16          1HB       LYS  16   2.310   6.921   6.381
  134   1HG   LYS  16          2HG       LYS  16   2.007   9.443   4.795
  135   2HG   LYS  16          1HG       LYS  16   1.637   9.485   6.520
  136   1HD   LYS  16          2HD       LYS  16   3.844   8.665   7.080
  137   2HD   LYS  16          1HD       LYS  16   4.220   8.389   5.379
  138   1HE   LYS  16          2HE       LYS  16   3.359  11.152   6.011
  139   2HE   LYS  16          1HE       LYS  16   4.916  10.669   6.713
  140   1HZ   LYS  16          1HZ       LYS  16   5.593   9.832   4.548
  141   2HZ   LYS  16          2HZ       LYS  16   5.206  11.483   4.450
  142   3HZ   LYS  16          3HZ       LYS  16   4.115  10.316   3.872
  143    H    GLU  17           HN       GLU  17   0.109   5.312   4.696
  144    HA   GLU  17           HA       GLU  17   1.533   2.952   5.408
  145   1HB   GLU  17          2HB       GLU  17  -1.175   3.394   4.113
  146   2HB   GLU  17          1HB       GLU  17  -0.653   1.850   4.779
  147   1HG   GLU  17          2HG       GLU  17  -0.858   4.445   6.326
  148   2HG   GLU  17          1HG       GLU  17  -2.026   3.125   6.382
  149    H    LEU  18           HN       LEU  18  -0.248   3.404   2.364
  150    HA   LEU  18           HA       LEU  18   0.810   1.249   0.949
  151   1HB   LEU  18          2HB       LEU  18  -1.131   2.743   0.377
  152   2HB   LEU  18          1HB       LEU  18   0.032   3.945  -0.186
  153    HG   LEU  18           HG       LEU  18   0.975   2.153  -1.709
  154   1HD1  LEU  18          1HD1      LEU  18  -0.332   0.362  -0.267
  155   2HD1  LEU  18          2HD1      LEU  18  -0.111   0.114  -1.991
  156   3HD1  LEU  18          3HD1      LEU  18  -1.641   0.735  -1.376
  157   1HD2  LEU  18          1HD2      LEU  18  -1.948   2.766  -2.204
  158   2HD2  LEU  18          2HD2      LEU  18  -0.679   2.537  -3.408
  159   3HD2  LEU  18          3HD2      LEU  18  -0.672   3.972  -2.382
  160    H    ARG  19           HN       ARG  19   2.051   4.634   0.784
  161    HA   ARG  19           HA       ARG  19   4.139   4.159  -1.062
  162   1HB   ARG  19          2HB       ARG  19   3.876   6.004   1.334
  163   2HB   ARG  19          1HB       ARG  19   5.221   6.116   0.201
  164   1HG   ARG  19          2HG       ARG  19   2.645   5.979  -1.179
  165   2HG   ARG  19          1HG       ARG  19   2.728   7.350  -0.073
  166   1HD   ARG  19          2HD       ARG  19   4.437   8.377  -1.257
  167   2HD   ARG  19          1HD       ARG  19   5.095   6.836  -1.843
  168    HE   ARG  19           HE       ARG  19   3.443   6.822  -3.574
  169   1HH1  ARG  19          1HH1      ARG  19   3.998   9.892  -2.991
  170   2HH1  ARG  19          2HH1      ARG  19   2.387  10.497  -3.184
  171   1HH2  ARG  19          1HH2      ARG  19   0.913   7.360  -3.088
  172   2HH2  ARG  19          2HH2      ARG  19   0.640   9.063  -3.239
  173    H    ASP  20           HN       ASP  20   4.020   3.525   2.428
  174    HA   ASP  20           HA       ASP  20   6.825   2.763   2.694
  175   1HB   ASP  20          2HB       ASP  20   4.295   2.703   4.280
  176   2HB   ASP  20          1HB       ASP  20   5.548   1.559   4.761
  177    H    PHE  21           HN       PHE  21   3.751   1.141   2.113
  178    HA   PHE  21           HA       PHE  21   4.643  -1.609   2.143
  179   1HB   PHE  21          2HB       PHE  21   2.302  -0.957   2.277
  180   2HB   PHE  21          1HB       PHE  21   2.386  -0.129   0.737
  181    HD1  PHE  21           1HD      PHE  21   2.185  -1.307  -1.347
  182    HD2  PHE  21           2HD      PHE  21   2.690  -3.400   2.373
  183    HE1  PHE  21           1HE      PHE  21   1.711  -3.472  -2.485
  184    HE2  PHE  21           2HE      PHE  21   2.195  -5.562   1.238
  185    HZ   PHE  21           HZ       PHE  21   1.709  -5.592  -1.197
  186    H    ILE  22           HN       ILE  22   3.754   0.466  -0.556
  187    HA   ILE  22           HA       ILE  22   4.582  -0.995  -2.774
  188    HB   ILE  22           HB       ILE  22   4.720   1.989  -2.217
  189   1HG1  ILE  22          2HG1      ILE  22   2.498   0.861  -1.868
  190   2HG1  ILE  22          1HG1      ILE  22   2.476   2.029  -3.185
  191   1HG2  ILE  22          1HG2      ILE  22   4.580   2.276  -4.651
  192   2HG2  ILE  22          2HG2      ILE  22   4.597   0.525  -4.868
  193   3HG2  ILE  22          3HG2      ILE  22   6.023   1.350  -4.235
  194   1HD1  ILE  22          1HD1      ILE  22   1.882  -0.775  -3.241
  195   2HD1  ILE  22          2HD1      ILE  22   3.246  -0.457  -4.305
  196   3HD1  ILE  22          3HD1      ILE  22   1.730   0.409  -4.536
  197    H    GLU  23           HN       GLU  23   6.552   0.895  -0.547
  198    HA   GLU  23           HA       GLU  23   8.991   0.988  -2.068
  199   1HB   GLU  23          2HB       GLU  23   8.006   1.795   0.457
  200   2HB   GLU  23          1HB       GLU  23   9.381   0.751   0.810
  201   1HG   GLU  23          2HG       GLU  23   9.453   3.073  -1.139
  202   2HG   GLU  23          1HG       GLU  23  10.031   3.148   0.526
  203    H    LYS  24           HN       LYS  24   7.658  -1.404   0.190
  204    HA   LYS  24           HA       LYS  24  10.008  -3.156   0.010
  205   1HB   LYS  24          2HB       LYS  24   7.850  -2.745   1.742
  206   2HB   LYS  24          1HB       LYS  24   7.493  -4.302   0.997
  207   1HG   LYS  24          2HG       LYS  24   8.863  -5.077   2.662
  208   2HG   LYS  24          1HG       LYS  24  10.125  -4.649   1.507
  209   1HD   LYS  24          2HD       LYS  24  10.791  -2.812   2.705
  210   2HD   LYS  24          1HD       LYS  24   9.156  -2.458   3.267
  211   1HE   LYS  24          2HE       LYS  24   9.284  -4.035   5.021
  212   2HE   LYS  24          1HE       LYS  24  10.647  -4.890   4.270
  213   1HZ   LYS  24          1HZ       LYS  24  10.654  -2.156   5.429
  214   2HZ   LYS  24          2HZ       LYS  24  11.917  -2.767   4.476
  215   3HZ   LYS  24          3HZ       LYS  24  11.543  -3.502   5.961
  216    H    PHE  25           HN       PHE  25   6.603  -3.294  -1.087
  217    HA   PHE  25           HA       PHE  25   7.159  -5.591  -2.805
  218   1HB   PHE  25          2HB       PHE  25   5.086  -5.299  -1.424
  219   2HB   PHE  25          1HB       PHE  25   4.660  -3.920  -2.439
  220    HD1  PHE  25           1HD      PHE  25   3.050  -4.408  -4.028
  221    HD2  PHE  25           2HD      PHE  25   5.976  -7.385  -3.041
  222    HE1  PHE  25           1HE      PHE  25   2.052  -5.940  -5.706
  223    HE2  PHE  25           2HE      PHE  25   4.982  -8.922  -4.718
  224    HZ   PHE  25           HZ       PHE  25   3.018  -8.199  -6.050
  225    H    LYS  26           HN       LYS  26   8.782  -3.737  -3.796
  226    HA   LYS  26           HA       LYS  26   7.813  -1.738  -5.540
  227   1HB   LYS  26          2HB       LYS  26  10.253  -3.501  -5.472
  228   2HB   LYS  26          1HB       LYS  26  10.054  -2.284  -6.734
  229   1HG   LYS  26          2HG       LYS  26   9.680  -1.523  -3.848
  230   2HG   LYS  26          1HG       LYS  26  11.305  -1.632  -4.526
  231   1HD   LYS  26          2HD       LYS  26   9.223  -0.119  -6.056
  232   2HD   LYS  26          1HD       LYS  26   9.950   0.645  -4.641
  233   1HE   LYS  26          2HE       LYS  26  11.985   0.892  -5.667
  234   2HE   LYS  26          1HE       LYS  26  11.856  -0.664  -6.510
  235   1HZ   LYS  26          1HZ       LYS  26  11.614   1.165  -8.071
  236   2HZ   LYS  26          2HZ       LYS  26  10.324   1.798  -7.164
  237   3HZ   LYS  26          3HZ       LYS  26  10.156   0.303  -7.945
  238    H    GLY  27           HN       GLY  27   7.718  -5.175  -5.917
  239   1HA   GLY  27          2HA       GLY  27   7.704  -5.480  -8.721
  240   2HA   GLY  27          1HA       GLY  27   6.816  -6.525  -7.612
  241    H    ARG  28           HN       ARG  28   4.651  -5.717  -6.893
  242    HA   ARG  28           HA       ARG  28   3.370  -3.985  -8.987
  243   1HB   ARG  28          2HB       ARG  28   2.462  -6.523  -7.603
  244   2HB   ARG  28          1HB       ARG  28   1.373  -5.510  -8.550
  245   1HG   ARG  28          2HG       ARG  28   3.972  -6.378  -9.770
  246   2HG   ARG  28          1HG       ARG  28   2.637  -7.528  -9.696
  247   1HD   ARG  28          2HD       ARG  28   1.835  -4.847 -10.641
  248   2HD   ARG  28          1HD       ARG  28   2.968  -5.691 -11.715
  249    HE   ARG  28           HE       ARG  28   1.180  -7.674 -11.057
  250   1HH1  ARG  28          1HH2      ARG  28   1.219  -6.542 -13.810
  251   2HH1  ARG  28          2HH2      ARG  28  -0.389  -5.923 -13.982
  252   1HH2  ARG  28          1HH1      ARG  28  -1.056  -5.970 -10.580
  253   2HH2  ARG  28          2HH1      ARG  28  -1.677  -5.597 -12.154
  Start of MODEL    8
    1   1H    GLU   1          1HT       GLU   1 -11.398  12.342   1.311
    2   2H    GLU   1          2HT       GLU   1 -12.614  12.564   0.145
    3   3H    GLU   1          3HT       GLU   1 -11.068  12.042  -0.325
    4    HA   GLU   1           HA       GLU   1 -12.913  10.481   1.413
    5   1HB   GLU   1          2HB       GLU   1 -12.364  10.623  -1.549
    6   2HB   GLU   1          1HB       GLU   1 -12.944   9.124  -0.821
    7   1HG   GLU   1          2HG       GLU   1 -14.674  10.885   0.302
    8   2HG   GLU   1          1HG       GLU   1 -14.362  11.699  -1.232
    9    H    GLN   2           HN       GLN   2 -12.111   8.027   0.760
   10    HA   GLN   2           HA       GLN   2  -9.123   7.971   1.014
   11   1HB   GLN   2          2HB       GLN   2 -10.203   7.753   3.211
   12   2HB   GLN   2          1HB       GLN   2 -11.218   6.448   2.602
   13   1HG   GLN   2          2HG       GLN   2  -8.448   5.835   2.041
   14   2HG   GLN   2          1HG       GLN   2  -8.624   6.235   3.750
   15   1HE2  GLN   2          1HE2      GLN   2 -10.335   4.984   4.974
   16   2HE2  GLN   2          2HE2      GLN   2 -10.722   3.414   4.459
   17    H    TYR   3           HN       TYR   3  -8.630   7.067  -0.985
   18    HA   TYR   3           HA       TYR   3 -10.112   5.322  -2.566
   19   1HB   TYR   3          2HB       TYR   3  -7.812   4.610  -3.413
   20   2HB   TYR   3          1HB       TYR   3  -8.158   6.336  -3.418
   21    HD1  TYR   3           1HD      TYR   3  -6.556   7.739  -2.625
   22    HD2  TYR   3           2HD      TYR   3  -6.767   3.755  -1.018
   23    HE1  TYR   3           1HE      TYR   3  -4.600   8.207  -1.200
   24    HE2  TYR   3           2HE      TYR   3  -4.819   4.240   0.407
   25    HH   TYR   3           HH       TYR   3  -2.881   5.772   0.422
   26    H    THR   4           HN       THR   4  -9.515   2.976  -3.057
   27    HA   THR   4           HA       THR   4  -9.178   1.441  -0.500
   28    HB   THR   4           HB       THR   4 -10.803   0.635  -2.924
   29    HG1  THR   4           1HG      THR   4 -12.482   1.703  -2.111
   30   1HG2  THR   4          1HG2      THR   4 -11.188  -0.112  -0.024
   31   2HG2  THR   4          2HG2      THR   4 -10.102  -1.013  -1.082
   32   3HG2  THR   4          3HG2      THR   4 -11.824  -0.925  -1.454
   33    H    ALA   5           HN       ALA   5  -6.976   2.134  -2.213
   34    HA   ALA   5           HA       ALA   5  -6.245   0.353  -4.243
   35   1HB   ALA   5          1HB       ALA   5  -5.067   2.399  -3.033
   36   2HB   ALA   5          2HB       ALA   5  -4.115   1.188  -3.894
   37   3HB   ALA   5          3HB       ALA   5  -4.262   1.104  -2.136
   38    H    LYS   6           HN       LYS   6  -6.101  -1.839  -4.218
   39    HA   LYS   6           HA       LYS   6  -5.474  -3.199  -1.624
   40   1HB   LYS   6          2HB       LYS   6  -6.667  -5.138  -2.679
   41   2HB   LYS   6          1HB       LYS   6  -7.687  -3.717  -2.464
   42   1HG   LYS   6          2HG       LYS   6  -7.620  -3.173  -4.755
   43   2HG   LYS   6          1HG       LYS   6  -6.204  -4.180  -5.046
   44   1HD   LYS   6          2HD       LYS   6  -8.555  -5.627  -3.981
   45   2HD   LYS   6          1HD       LYS   6  -8.770  -4.955  -5.596
   46   1HE   LYS   6          2HE       LYS   6  -6.190  -6.096  -5.630
   47   2HE   LYS   6          1HE       LYS   6  -7.218  -7.275  -4.792
   48   1HZ   LYS   6          1HZ       LYS   6  -8.825  -7.132  -6.553
   49   2HZ   LYS   6          2HZ       LYS   6  -7.313  -7.498  -7.234
   50   3HZ   LYS   6          3HZ       LYS   6  -7.935  -5.921  -7.338
   51    H    TYR   7           HN       TYR   7  -3.844  -4.713  -1.567
   52    HA   TYR   7           HA       TYR   7  -2.294  -5.184  -4.092
   53   1HB   TYR   7          2HB       TYR   7  -1.361  -4.428  -1.316
   54   2HB   TYR   7          1HB       TYR   7  -0.275  -4.972  -2.595
   55    HD1  TYR   7           1HD      TYR   7   0.397  -3.543  -4.324
   56    HD2  TYR   7           2HD      TYR   7  -2.807  -2.401  -1.731
   57    HE1  TYR   7           1HE      TYR   7   0.449  -1.260  -5.281
   58    HE2  TYR   7           2HE      TYR   7  -2.788  -0.112  -2.681
   59    HH   TYR   7           HH       TYR   7  -2.065   0.985  -4.793
   60    H    LYS   8           HN       LYS   8  -2.567  -7.344  -4.440
   61    HA   LYS   8           HA       LYS   8  -2.662  -9.677  -4.046
   62   1HB   LYS   8          2HB       LYS   8  -0.324  -8.637  -3.152
   63   2HB   LYS   8          1HB       LYS   8  -0.925  -9.353  -1.655
   64   1HG   LYS   8          2HG       LYS   8   0.289 -11.109  -2.663
   65   2HG   LYS   8          1HG       LYS   8  -1.386 -11.461  -3.089
   66   1HD   LYS   8          2HD       LYS   8  -0.955 -10.118  -5.236
   67   2HD   LYS   8          1HD       LYS   8   0.758 -10.233  -4.826
   68   1HE   LYS   8          2HE       LYS   8   0.565 -12.165  -6.095
   69   2HE   LYS   8          1HE       LYS   8   0.075 -12.830  -4.523
   70   1HZ   LYS   8          1HZ       LYS   8  -2.220 -12.279  -5.040
   71   2HZ   LYS   8          2HZ       LYS   8  -1.582 -13.316  -6.225
   72   3HZ   LYS   8          3HZ       LYS   8  -1.757 -11.657  -6.549
   73    H    GLY   9           HN       GLY   9  -4.519  -7.805  -2.417
   74   1HA   GLY   9          2HA       GLY   9  -6.404  -8.704  -1.146
   75   2HA   GLY   9          1HA       GLY   9  -5.307  -9.878  -0.425
   76    H    ARG  10           HN       ARG  10  -4.567  -6.426  -0.746
   77    HA   ARG  10           HA       ARG  10  -5.061  -6.035   2.174
   78   1HB   ARG  10          2HB       ARG  10  -2.449  -5.542   0.701
   79   2HB   ARG  10          1HB       ARG  10  -2.754  -5.142   2.392
   80   1HG   ARG  10          2HG       ARG  10  -3.294  -7.584   2.779
   81   2HG   ARG  10          1HG       ARG  10  -2.713  -7.901   1.143
   82   1HD   ARG  10          2HD       ARG  10  -0.514  -6.904   1.750
   83   2HD   ARG  10          1HD       ARG  10  -1.100  -6.681   3.408
   84    HE   ARG  10           HE       ARG  10  -1.635  -9.286   3.090
   85   1HH1  ARG  10          1HH2      ARG  10   0.668  -8.288   0.950
   86   2HH1  ARG  10          2HH2      ARG  10   1.971  -9.225   1.600
   87   1HH2  ARG  10          1HH1      ARG  10   0.236 -10.149   4.455
   88   2HH2  ARG  10          2HH1      ARG  10   1.727 -10.279   3.582
   89    H    THR  11           HN       THR  11  -6.551  -4.343   1.959
   90    HA   THR  11           HA       THR  11  -6.342  -2.318  -0.105
   91    HB   THR  11           HB       THR  11  -7.942  -2.398   2.466
   92    HG1  THR  11           1HG      THR  11  -8.681  -4.065   1.359
   93   1HG2  THR  11          1HG2      THR  11  -8.159  -0.194   1.750
   94   2HG2  THR  11          2HG2      THR  11  -9.466  -0.960   0.846
   95   3HG2  THR  11          3HG2      THR  11  -7.927  -0.613   0.053
   96    H    PHE  12           HN       PHE  12  -6.083   0.035   0.403
   97    HA   PHE  12           HA       PHE  12  -4.364   0.553   2.801
   98   1HB   PHE  12          2HB       PHE  12  -3.938   1.170  -0.128
   99   2HB   PHE  12          1HB       PHE  12  -3.162   2.157   1.123
  100    HD1  PHE  12           1HD      PHE  12  -1.396   1.235   2.544
  101    HD2  PHE  12           2HD      PHE  12  -3.467  -1.176  -0.340
  102    HE1  PHE  12           1HE      PHE  12   0.315  -0.551   2.810
  103    HE2  PHE  12           2HE      PHE  12  -1.772  -2.978  -0.056
  104    HZ   PHE  12           HZ       PHE  12   0.121  -2.657   1.515
  105    H    ARG  13           HN       ARG  13  -5.181   2.202   3.994
  106    HA   ARG  13           HA       ARG  13  -7.055   4.138   2.674
  107   1HB   ARG  13          2HB       ARG  13  -8.074   4.275   4.948
  108   2HB   ARG  13          1HB       ARG  13  -8.100   2.633   4.308
  109   1HG   ARG  13          2HG       ARG  13  -6.620   1.857   5.869
  110   2HG   ARG  13          1HG       ARG  13  -5.685   3.353   5.878
  111   1HD   ARG  13          2HD       ARG  13  -7.834   4.359   7.032
  112   2HD   ARG  13          1HD       ARG  13  -8.158   2.663   7.443
  113    HE   ARG  13           HE       ARG  13  -5.502   3.899   8.037
  114   1HH1  ARG  13          1HH1      ARG  13  -7.919   4.134   9.973
  115   2HH1  ARG  13          2HH1      ARG  13  -7.543   2.860  11.084
  116   1HH2  ARG  13          1HH2      ARG  13  -5.177   1.396   9.017
  117   2HH2  ARG  13          2HH2      ARG  13  -5.991   1.310  10.543
  118    H    ASN  14           HN       ASN  14  -4.181   4.490   2.716
  119    HA   ASN  14           HA       ASN  14  -3.988   7.173   3.780
  120   1HB   ASN  14          2HB       ASN  14  -3.917   5.490   5.799
  121   2HB   ASN  14          1HB       ASN  14  -2.266   5.191   5.258
  122   1HD2  ASN  14          1HD2      ASN  14  -0.687   6.845   5.616
  123   2HD2  ASN  14          2HD2      ASN  14  -1.033   8.282   6.451
  124    H    GLU  15           HN       GLU  15  -2.423   8.162   2.576
  125    HA   GLU  15           HA       GLU  15  -0.905   6.831   0.572
  126   1HB   GLU  15          2HB       GLU  15  -1.596   9.340   1.025
  127   2HB   GLU  15          1HB       GLU  15  -0.021   9.418   1.816
  128   1HG   GLU  15          2HG       GLU  15   0.916   8.352  -0.334
  129   2HG   GLU  15          1HG       GLU  15  -0.632   8.771  -1.069
  130    H    LYS  16           HN       LYS  16   0.144   8.057   3.767
  131    HA   LYS  16           HA       LYS  16   2.864   7.423   3.668
  132   1HB   LYS  16          2HB       LYS  16   1.099   8.420   5.483
  133   2HB   LYS  16          1HB       LYS  16   1.455   6.850   6.199
  134   1HG   LYS  16          2HG       LYS  16   3.377   7.706   7.009
  135   2HG   LYS  16          1HG       LYS  16   3.951   7.888   5.352
  136   1HD   LYS  16          2HD       LYS  16   3.103  10.126   5.209
  137   2HD   LYS  16          1HD       LYS  16   2.194   9.946   6.709
  138   1HE   LYS  16          2HE       LYS  16   4.014  10.942   7.677
  139   2HE   LYS  16          1HE       LYS  16   4.776   9.348   7.516
  140   1HZ   LYS  16          1HZ       LYS  16   6.100  11.076   6.434
  141   2HZ   LYS  16          2HZ       LYS  16   4.781  11.476   5.440
  142   3HZ   LYS  16          3HZ       LYS  16   5.519   9.952   5.304
  143    H    GLU  17           HN       GLU  17   0.188   5.359   4.618
  144    HA   GLU  17           HA       GLU  17   1.651   3.036   5.398
  145   1HB   GLU  17          2HB       GLU  17  -1.102   3.761   4.556
  146   2HB   GLU  17          1HB       GLU  17  -0.693   2.057   4.399
  147   1HG   GLU  17          2HG       GLU  17  -0.378   3.703   6.923
  148   2HG   GLU  17          1HG       GLU  17  -1.678   2.555   6.601
  149    H    LEU  18           HN       LEU  18  -0.270   3.270   2.413
  150    HA   LEU  18           HA       LEU  18   0.869   1.104   1.079
  151   1HB   LEU  18          2HB       LEU  18  -1.200   2.261   0.439
  152   2HB   LEU  18          1HB       LEU  18  -0.272   3.679  -0.041
  153    HG   LEU  18           HG       LEU  18   0.868   2.365  -1.781
  154   1HD1  LEU  18          1HD1      LEU  18   0.680   0.163  -0.519
  155   2HD1  LEU  18          2HD1      LEU  18   0.315   0.072  -2.230
  156   3HD1  LEU  18          3HD1      LEU  18  -0.994   0.090  -1.052
  157   1HD2  LEU  18          1HD2      LEU  18  -1.993   1.664  -2.232
  158   2HD2  LEU  18          2HD2      LEU  18  -0.870   2.529  -3.280
  159   3HD2  LEU  18          3HD2      LEU  18  -1.624   3.359  -1.919
  160    H    ARG  19           HN       ARG  19   1.907   4.549   0.808
  161    HA   ARG  19           HA       ARG  19   3.906   4.187  -1.167
  162   1HB   ARG  19          2HB       ARG  19   3.598   6.019   1.221
  163   2HB   ARG  19          1HB       ARG  19   4.978   6.165   0.134
  164   1HG   ARG  19          2HG       ARG  19   3.055   6.089  -1.716
  165   2HG   ARG  19          1HG       ARG  19   2.094   6.730  -0.384
  166   1HD   ARG  19          2HD       ARG  19   2.999   8.649  -1.510
  167   2HD   ARG  19          1HD       ARG  19   4.000   8.443  -0.059
  168    HE   ARG  19           HE       ARG  19   5.641   7.220  -1.512
  169   1HH1  ARG  19          1HH2      ARG  19   5.130  10.164  -2.394
  170   2HH1  ARG  19          2HH2      ARG  19   5.132   9.965  -4.114
  171   1HH2  ARG  19          1HH1      ARG  19   4.815   6.513  -3.980
  172   2HH2  ARG  19          2HH1      ARG  19   4.955   7.896  -5.013
  173    H    ASP  20           HN       ASP  20   3.972   3.493   2.301
  174    HA   ASP  20           HA       ASP  20   6.821   2.857   2.434
  175   1HB   ASP  20          2HB       ASP  20   4.386   2.770   4.137
  176   2HB   ASP  20          1HB       ASP  20   5.605   1.553   4.522
  177    H    PHE  21           HN       PHE  21   3.780   1.112   2.016
  178    HA   PHE  21           HA       PHE  21   4.768  -1.599   1.942
  179   1HB   PHE  21          2HB       PHE  21   2.413  -1.032   2.183
  180   2HB   PHE  21          1HB       PHE  21   2.404  -0.172   0.660
  181    HD1  PHE  21           1HD      PHE  21   2.112  -1.309  -1.428
  182    HD2  PHE  21           2HD      PHE  21   2.914  -3.468   2.201
  183    HE1  PHE  21           1HE      PHE  21   1.645  -3.461  -2.592
  184    HE2  PHE  21           2HE      PHE  21   2.430  -5.620   1.041
  185    HZ   PHE  21           HZ       PHE  21   1.799  -5.610  -1.361
  186    H    ILE  22           HN       ILE  22   3.687   0.478  -0.683
  187    HA   ILE  22           HA       ILE  22   4.478  -0.905  -2.964
  188    HB   ILE  22           HB       ILE  22   4.522   2.071  -2.342
  189   1HG1  ILE  22          2HG1      ILE  22   2.360   0.860  -1.928
  190   2HG1  ILE  22          1HG1      ILE  22   2.240   2.044  -3.225
  191   1HG2  ILE  22          1HG2      ILE  22   4.271   2.412  -4.756
  192   2HG2  ILE  22          2HG2      ILE  22   4.336   0.669  -5.019
  193   3HG2  ILE  22          3HG2      ILE  22   5.761   1.525  -4.428
  194   1HD1  ILE  22          1HD1      ILE  22   1.769  -0.790  -3.302
  195   2HD1  ILE  22          2HD1      ILE  22   3.058  -0.379  -4.429
  196   3HD1  ILE  22          3HD1      ILE  22   1.488   0.412  -4.559
  197    H    GLU  23           HN       GLU  23   6.458   1.012  -0.772
  198    HA   GLU  23           HA       GLU  23   8.835   1.139  -2.435
  199   1HB   GLU  23          2HB       GLU  23   7.974   1.765   0.333
  200   2HB   GLU  23          1HB       GLU  23   9.696   1.433   0.143
  201   1HG   GLU  23          2HG       GLU  23   9.932   3.166  -1.507
  202   2HG   GLU  23          1HG       GLU  23   8.185   3.377  -1.620
  203    H    LYS  24           HN       LYS  24   7.953  -0.880   0.392
  204    HA   LYS  24           HA       LYS  24  10.307  -2.566   0.206
  205   1HB   LYS  24          2HB       LYS  24   8.027  -2.153   1.906
  206   2HB   LYS  24          1HB       LYS  24   8.105  -3.869   1.515
  207   1HG   LYS  24          2HG       LYS  24   9.492  -3.731   3.394
  208   2HG   LYS  24          1HG       LYS  24  10.653  -3.613   2.071
  209   1HD   LYS  24          2HD       LYS  24  10.505  -1.116   2.235
  210   2HD   LYS  24          1HD       LYS  24   9.476  -1.310   3.655
  211   1HE   LYS  24          2HE       LYS  24  11.225  -1.995   4.996
  212   2HE   LYS  24          1HE       LYS  24  12.076  -2.787   3.655
  213   1HZ   LYS  24          1HZ       LYS  24  11.710   0.151   3.871
  214   2HZ   LYS  24          2HZ       LYS  24  12.674  -0.685   2.749
  215   3HZ   LYS  24          3HZ       LYS  24  13.108  -0.656   4.391
  216    H    PHE  25           HN       PHE  25   6.860  -3.182  -0.550
  217    HA   PHE  25           HA       PHE  25   7.561  -5.567  -2.090
  218   1HB   PHE  25          2HB       PHE  25   5.617  -5.334  -0.478
  219   2HB   PHE  25          1HB       PHE  25   4.876  -4.244  -1.651
  220    HD1  PHE  25           1HD      PHE  25   3.254  -5.242  -2.964
  221    HD2  PHE  25           2HD      PHE  25   6.692  -7.533  -1.795
  222    HE1  PHE  25           1HE      PHE  25   2.389  -7.188  -4.238
  223    HE2  PHE  25           2HE      PHE  25   5.828  -9.481  -3.066
  224    HZ   PHE  25           HZ       PHE  25   3.677  -9.308  -4.288
  225    H    LYS  26           HN       LYS  26   8.798  -3.761  -3.514
  226    HA   LYS  26           HA       LYS  26   7.406  -2.036  -5.269
  227   1HB   LYS  26          2HB       LYS  26  10.007  -3.479  -5.205
  228   2HB   LYS  26          1HB       LYS  26   9.522  -2.781  -6.750
  229   1HG   LYS  26          2HG       LYS  26   9.684  -0.622  -5.988
  230   2HG   LYS  26          1HG       LYS  26   9.197  -1.054  -4.350
  231   1HD   LYS  26          2HD       LYS  26  11.348  -1.140  -3.693
  232   2HD   LYS  26          1HD       LYS  26  11.708  -2.339  -4.933
  233   1HE   LYS  26          2HE       LYS  26  11.511   0.600  -5.625
  234   2HE   LYS  26          1HE       LYS  26  13.028  -0.118  -5.050
  235   1HZ   LYS  26          1HZ       LYS  26  12.790  -1.841  -6.756
  236   2HZ   LYS  26          2HZ       LYS  26  12.900  -0.293  -7.446
  237   3HZ   LYS  26          3HZ       LYS  26  11.396  -1.070  -7.345
  238    H    GLY  27           HN       GLY  27   7.615  -5.491  -5.300
  239   1HA   GLY  27          2HA       GLY  27   5.788  -6.615  -6.626
  240   2HA   GLY  27          1HA       GLY  27   6.231  -5.538  -7.952
  241    H    ARG  28           HN       ARG  28   8.876  -5.655  -8.173
  242    HA   ARG  28           HA       ARG  28   9.415  -8.244  -9.313
  243   1HB   ARG  28          2HB       ARG  28  10.732  -5.636  -8.911
  244   2HB   ARG  28          1HB       ARG  28  11.855  -6.993  -8.978
  245   1HG   ARG  28          2HG       ARG  28  11.597  -6.298 -11.238
  246   2HG   ARG  28          1HG       ARG  28  10.586  -7.736 -11.083
  247   1HD   ARG  28          2HD       ARG  28   8.966  -6.395 -12.000
  248   2HD   ARG  28          1HD       ARG  28   8.826  -5.743 -10.354
  249    HE   ARG  28           HE       ARG  28  10.857  -4.566 -12.189
  250   1HH1  ARG  28          1HH2      ARG  28   9.681  -3.694  -9.381
  251   2HH1  ARG  28          2HH2      ARG  28   8.830  -2.268  -9.873
  252   1HH2  ARG  28          1HH1      ARG  28   9.015  -3.004 -13.256
  253   2HH2  ARG  28          2HH1      ARG  28   8.454  -1.878 -12.066
  Start of MODEL    9
    1   1H    GLU   1          1HT       GLU   1 -12.243   9.552   5.190
    2   2H    GLU   1          2HT       GLU   1 -13.386   8.590   5.998
    3   3H    GLU   1          3HT       GLU   1 -13.738   9.220   4.460
    4    HA   GLU   1           HA       GLU   1 -11.792   7.085   5.147
    5   1HB   GLU   1          2HB       GLU   1 -14.527   7.234   4.380
    6   2HB   GLU   1          1HB       GLU   1 -13.650   6.653   2.966
    7   1HG   GLU   1          2HG       GLU   1 -12.460   5.124   4.818
    8   2HG   GLU   1          1HG       GLU   1 -14.004   5.371   5.635
    9    H    GLN   2           HN       GLN   2 -10.380   6.442   3.433
   10    HA   GLN   2           HA       GLN   2  -9.980   8.521   1.310
   11   1HB   GLN   2          2HB       GLN   2  -8.263   7.047   3.185
   12   2HB   GLN   2          1HB       GLN   2  -7.660   7.003   1.528
   13   1HG   GLN   2          2HG       GLN   2  -6.719   8.964   2.547
   14   2HG   GLN   2          1HG       GLN   2  -7.989   9.522   1.457
   15   1HE2  GLN   2          1HE2      GLN   2  -8.098  11.494   2.890
   16   2HE2  GLN   2          2HE2      GLN   2  -8.978  11.411   4.339
   17    H    TYR   3           HN       TYR   3  -8.471   7.247  -0.500
   18    HA   TYR   3           HA       TYR   3 -10.185   5.701  -2.065
   19   1HB   TYR   3          2HB       TYR   3  -8.029   5.010  -3.217
   20   2HB   TYR   3          1HB       TYR   3  -8.273   6.741  -3.003
   21    HD1  TYR   3           1HD      TYR   3  -6.566   8.003  -2.128
   22    HD2  TYR   3           2HD      TYR   3  -6.762   3.823  -1.172
   23    HE1  TYR   3           1HE      TYR   3  -4.449   8.192  -0.874
   24    HE2  TYR   3           2HE      TYR   3  -4.643   4.018   0.081
   25    HH   TYR   3           HH       TYR   3  -2.577   6.653  -0.182
   26    H    THR   4           HN       THR   4 -10.312   3.450  -2.556
   27    HA   THR   4           HA       THR   4  -9.573   1.669  -0.266
   28    HB   THR   4           HB       THR   4 -11.552   1.172  -2.504
   29    HG1  THR   4           1HG      THR   4 -12.529   2.840  -1.671
   30   1HG2  THR   4          1HG2      THR   4 -11.075   0.055   0.256
   31   2HG2  THR   4          2HG2      THR   4 -11.164  -0.811  -1.277
   32   3HG2  THR   4          3HG2      THR   4 -12.627  -0.136  -0.558
   33    H    ALA   5           HN       ALA   5  -7.427   2.117  -1.853
   34    HA   ALA   5           HA       ALA   5  -7.057   0.612  -4.210
   35   1HB   ALA   5          1HB       ALA   5  -5.576   2.259  -2.561
   36   2HB   ALA   5          2HB       ALA   5  -4.928   1.396  -3.955
   37   3HB   ALA   5          3HB       ALA   5  -4.774   0.696  -2.338
   38    H    LYS   6           HN       LYS   6  -4.942  -1.061  -3.730
   39    HA   LYS   6           HA       LYS   6  -5.108  -2.964  -1.674
   40   1HB   LYS   6          2HB       LYS   6  -7.300  -3.160  -3.410
   41   2HB   LYS   6          1HB       LYS   6  -6.209  -4.448  -3.920
   42   1HG   LYS   6          2HG       LYS   6  -6.046  -4.871  -1.306
   43   2HG   LYS   6          1HG       LYS   6  -7.624  -4.085  -1.315
   44   1HD   LYS   6          2HD       LYS   6  -8.244  -5.717  -3.201
   45   2HD   LYS   6          1HD       LYS   6  -6.792  -6.610  -2.748
   46   1HE   LYS   6          2HE       LYS   6  -7.638  -7.157  -0.618
   47   2HE   LYS   6          1HE       LYS   6  -8.837  -5.849  -0.659
   48   1HZ   LYS   6          1HZ       LYS   6  -9.903  -7.943  -1.168
   49   2HZ   LYS   6          2HZ       LYS   6  -8.792  -8.246  -2.419
   50   3HZ   LYS   6          3HZ       LYS   6  -9.892  -6.961  -2.555
   51    H    TYR   7           HN       TYR   7  -3.573  -4.619  -2.007
   52    HA   TYR   7           HA       TYR   7  -2.029  -4.531  -4.564
   53   1HB   TYR   7          2HB       TYR   7  -1.166  -3.797  -1.771
   54   2HB   TYR   7          1HB       TYR   7   0.014  -4.425  -2.913
   55    HD1  TYR   7           1HD      TYR   7   0.895  -3.051  -4.616
   56    HD2  TYR   7           2HD      TYR   7  -2.550  -1.812  -2.404
   57    HE1  TYR   7           1HE      TYR   7   1.042  -0.810  -5.646
   58    HE2  TYR   7           2HE      TYR   7  -2.460   0.408  -3.428
   59    HH   TYR   7           HH       TYR   7  -0.678   1.864  -4.499
   60    H    LYS   8           HN       LYS   8  -2.369  -6.081  -1.360
   61    HA   LYS   8           HA       LYS   8  -1.996  -8.737  -2.652
   62   1HB   LYS   8          2HB       LYS   8   0.083  -7.393  -1.449
   63   2HB   LYS   8          1HB       LYS   8  -0.534  -8.358  -0.109
   64   1HG   LYS   8          2HG       LYS   8   0.155  -9.474  -2.842
   65   2HG   LYS   8          1HG       LYS   8   1.222  -9.545  -1.440
   66   1HD   LYS   8          2HD       LYS   8  -0.218 -10.996  -0.266
   67   2HD   LYS   8          1HD       LYS   8  -1.597 -10.599  -1.290
   68   1HE   LYS   8          2HE       LYS   8  -1.040 -12.615  -2.269
   69   2HE   LYS   8          1HE       LYS   8   0.096 -11.589  -3.169
   70   1HZ   LYS   8          1HZ       LYS   8   0.670 -12.959  -0.592
   71   2HZ   LYS   8          2HZ       LYS   8   1.748 -11.959  -1.443
   72   3HZ   LYS   8          3HZ       LYS   8   1.251 -13.441  -2.111
   73    H    GLY   9           HN       GLY   9  -4.412  -8.487  -2.063
   74   1HA   GLY   9          2HA       GLY   9  -6.203  -9.177  -0.714
   75   2HA   GLY   9          1HA       GLY   9  -5.018 -10.048   0.260
   76    H    ARG  10           HN       ARG  10  -4.548  -6.634  -0.192
   77    HA   ARG  10           HA       ARG  10  -5.798  -5.995   2.440
   78   1HB   ARG  10          2HB       ARG  10  -2.910  -5.527   1.616
   79   2HB   ARG  10          1HB       ARG  10  -3.642  -4.925   3.104
   80   1HG   ARG  10          2HG       ARG  10  -4.147  -7.260   3.781
   81   2HG   ARG  10          1HG       ARG  10  -3.349  -7.840   2.319
   82   1HD   ARG  10          2HD       ARG  10  -1.499  -7.929   3.675
   83   2HD   ARG  10          1HD       ARG  10  -1.416  -6.185   3.352
   84    HE   ARG  10           HE       ARG  10  -3.015  -7.226   5.650
   85   1HH1  ARG  10          1HH2      ARG  10   0.096  -6.255   5.104
   86   2HH1  ARG  10          2HH2      ARG  10   0.075  -4.895   6.176
   87   1HH2  ARG  10          1HH1      ARG  10  -3.352  -5.016   6.689
   88   2HH2  ARG  10          2HH1      ARG  10  -1.876  -4.194   7.072
   89    H    THR  11           HN       THR  11  -7.100  -4.247   1.940
   90    HA   THR  11           HA       THR  11  -6.576  -2.535  -0.364
   91    HB   THR  11           HB       THR  11  -8.510  -2.355   1.979
   92    HG1  THR  11           1HG      THR  11  -9.124  -4.071   0.866
   93   1HG2  THR  11          1HG2      THR  11  -9.328  -0.429   1.127
   94   2HG2  THR  11          2HG2      THR  11  -9.340  -1.085  -0.509
   95   3HG2  THR  11          3HG2      THR  11  -7.872  -0.345   0.132
   96    H    PHE  12           HN       PHE  12  -5.630  -0.461  -0.316
   97    HA   PHE  12           HA       PHE  12  -4.408   0.363   2.280
   98   1HB   PHE  12          2HB       PHE  12  -3.775   0.890  -0.643
   99   2HB   PHE  12          1HB       PHE  12  -2.970   1.753   0.682
  100    HD1  PHE  12           1HD      PHE  12  -1.189   0.721   1.874
  101    HD2  PHE  12           2HD      PHE  12  -3.811  -1.605  -0.590
  102    HE1  PHE  12           1HE      PHE  12   0.283  -1.253   2.198
  103    HE2  PHE  12           2HE      PHE  12  -2.366  -3.606  -0.236
  104    HZ   PHE  12           HZ       PHE  12  -0.315  -3.423   1.149
  105    H    ARG  13           HN       ARG  13  -5.292   2.084   3.309
  106    HA   ARG  13           HA       ARG  13  -6.905   4.055   1.716
  107   1HB   ARG  13          2HB       ARG  13  -7.343   2.727   4.399
  108   2HB   ARG  13          1HB       ARG  13  -8.200   4.201   3.947
  109   1HG   ARG  13          2HG       ARG  13  -9.490   3.135   2.379
  110   2HG   ARG  13          1HG       ARG  13  -8.206   2.006   1.941
  111   1HD   ARG  13          2HD       ARG  13  -8.858   0.466   3.508
  112   2HD   ARG  13          1HD       ARG  13  -9.271   1.714   4.701
  113    HE   ARG  13           HE       ARG  13 -10.998   1.200   2.310
  114   1HH1  ARG  13          1HH1      ARG  13 -11.314   3.432   4.474
  115   2HH1  ARG  13          2HH1      ARG  13 -12.623   2.768   5.393
  116   1HH2  ARG  13          1HH2      ARG  13 -12.339  -0.397   4.005
  117   2HH2  ARG  13          2HH2      ARG  13 -13.204   0.600   5.126
  118    H    ASN  14           HN       ASN  14  -4.043   4.116   2.503
  119    HA   ASN  14           HA       ASN  14  -4.015   6.775   3.768
  120   1HB   ASN  14          2HB       ASN  14  -4.040   4.614   5.418
  121   2HB   ASN  14          1HB       ASN  14  -2.305   4.767   5.138
  122   1HD2  ASN  14          1HD2      ASN  14  -1.228   6.695   5.931
  123   2HD2  ASN  14          2HD2      ASN  14  -1.992   7.770   6.997
  124    H    GLU  15           HN       GLU  15  -2.335   7.901   2.857
  125    HA   GLU  15           HA       GLU  15  -0.635   6.809   0.845
  126   1HB   GLU  15          2HB       GLU  15  -1.367   9.267   1.639
  127   2HB   GLU  15          1HB       GLU  15   0.213   9.201   2.422
  128   1HG   GLU  15          2HG       GLU  15   1.127   8.413   0.156
  129   2HG   GLU  15          1HG       GLU  15  -0.420   8.926  -0.520
  130    H    LYS  16           HN       LYS  16  -0.147   7.245   4.326
  131    HA   LYS  16           HA       LYS  16   2.632   6.813   4.500
  132   1HB   LYS  16          2HB       LYS  16   1.006   7.544   6.291
  133   2HB   LYS  16          1HB       LYS  16   0.509   5.856   6.424
  134   1HG   LYS  16          2HG       LYS  16   2.175   6.217   8.116
  135   2HG   LYS  16          1HG       LYS  16   2.944   5.280   6.834
  136   1HD   LYS  16          2HD       LYS  16   4.168   7.116   6.045
  137   2HD   LYS  16          1HD       LYS  16   3.074   8.285   6.787
  138   1HE   LYS  16          2HE       LYS  16   5.101   8.250   8.119
  139   2HE   LYS  16          1HE       LYS  16   3.855   7.398   9.052
  140   1HZ   LYS  16          1HZ       LYS  16   5.835   6.124   7.238
  141   2HZ   LYS  16          2HZ       LYS  16   4.623   5.308   8.104
  142   3HZ   LYS  16          3HZ       LYS  16   5.887   6.084   8.933
  143    H    GLU  17           HN       GLU  17  -0.014   4.503   4.460
  144    HA   GLU  17           HA       GLU  17   1.613   2.128   4.815
  145   1HB   GLU  17          2HB       GLU  17  -1.141   2.537   3.596
  146   2HB   GLU  17          1HB       GLU  17  -0.489   0.997   4.151
  147   1HG   GLU  17          2HG       GLU  17  -0.707   3.389   5.982
  148   2HG   GLU  17          1HG       GLU  17  -2.034   2.245   5.773
  149    H    LEU  18           HN       LEU  18  -0.095   3.424   1.961
  150    HA   LEU  18           HA       LEU  18   0.941   1.647   0.021
  151   1HB   LEU  18          2HB       LEU  18  -0.817   3.743   0.129
  152   2HB   LEU  18          1HB       LEU  18   0.510   4.479  -0.765
  153    HG   LEU  18           HG       LEU  18   0.412   2.727  -2.446
  154   1HD1  LEU  18          1HD1      LEU  18  -0.979   1.300  -0.372
  155   2HD1  LEU  18          2HD1      LEU  18  -0.365   0.662  -1.888
  156   3HD1  LEU  18          3HD1      LEU  18  -1.993   1.338  -1.801
  157   1HD2  LEU  18          1HD2      LEU  18  -2.130   4.127  -1.693
  158   2HD2  LEU  18          2HD2      LEU  18  -2.126   3.022  -3.067
  159   3HD2  LEU  18          3HD2      LEU  18  -1.057   4.424  -3.061
  160    H    ARG  19           HN       ARG  19   2.186   4.874   0.951
  161    HA   ARG  19           HA       ARG  19   4.439   4.907  -0.798
  162   1HB   ARG  19          2HB       ARG  19   3.846   6.133   1.905
  163   2HB   ARG  19          1HB       ARG  19   5.304   6.520   0.994
  164   1HG   ARG  19          2HG       ARG  19   2.766   6.667  -0.533
  165   2HG   ARG  19          1HG       ARG  19   2.974   7.888   0.722
  166   1HD   ARG  19          2HD       ARG  19   3.920   8.772  -1.338
  167   2HD   ARG  19          1HD       ARG  19   5.275   8.360  -0.267
  168    HE   ARG  19           HE       ARG  19   4.289   6.407  -2.303
  169   1HH1  ARG  19          1HH1      ARG  19   6.271   8.329  -3.393
  170   2HH1  ARG  19          2HH1      ARG  19   7.778   7.533  -3.089
  171   1HH2  ARG  19          1HH2      ARG  19   6.446   5.325  -0.770
  172   2HH2  ARG  19          2HH2      ARG  19   7.878   5.833  -1.602
  173    H    ASP  20           HN       ASP  20   3.856   3.094   2.121
  174    HA   ASP  20           HA       ASP  20   6.746   2.469   2.459
  175   1HB   ASP  20          2HB       ASP  20   5.130   3.161   4.328
  176   2HB   ASP  20          1HB       ASP  20   4.384   1.575   4.126
  177    H    PHE  21           HN       PHE  21   3.653   0.975   1.566
  178    HA   PHE  21           HA       PHE  21   4.561  -1.769   1.628
  179   1HB   PHE  21          2HB       PHE  21   2.203  -1.054   1.676
  180   2HB   PHE  21          1HB       PHE  21   2.329  -0.459   0.033
  181    HD1  PHE  21           1HD      PHE  21   2.291  -1.971  -1.856
  182    HD2  PHE  21           2HD      PHE  21   2.637  -3.439   2.161
  183    HE1  PHE  21           1HE      PHE  21   1.960  -4.292  -2.674
  184    HE2  PHE  21           2HE      PHE  21   2.280  -5.765   1.350
  185    HZ   PHE  21           HZ       PHE  21   1.948  -6.186  -1.073
  186    H    ILE  22           HN       ILE  22   3.595  -0.017  -1.318
  187    HA   ILE  22           HA       ILE  22   4.905  -1.600  -3.211
  188    HB   ILE  22           HB       ILE  22   4.370   1.391  -3.198
  189   1HG1  ILE  22          2HG1      ILE  22   2.510   0.109  -4.803
  190   2HG1  ILE  22          1HG1      ILE  22   2.721  -1.031  -3.481
  191   1HG2  ILE  22          1HG2      ILE  22   4.471   1.250  -5.620
  192   2HG2  ILE  22          2HG2      ILE  22   4.722  -0.493  -5.543
  193   3HG2  ILE  22          3HG2      ILE  22   5.980   0.604  -4.973
  194   1HD1  ILE  22          1HD1      ILE  22   1.613   0.295  -2.038
  195   2HD1  ILE  22          2HD1      ILE  22   1.095   1.206  -3.454
  196   3HD1  ILE  22          3HD1      ILE  22   2.512   1.727  -2.546
  197    H    GLU  23           HN       GLU  23   6.202   1.018  -1.234
  198    HA   GLU  23           HA       GLU  23   8.747   1.295  -2.580
  199   1HB   GLU  23          2HB       GLU  23   7.729   2.937  -1.002
  200   2HB   GLU  23          1HB       GLU  23   7.950   1.785   0.314
  201   1HG   GLU  23          2HG       GLU  23  10.351   1.862   0.072
  202   2HG   GLU  23          1HG       GLU  23  10.221   2.819  -1.403
  203    H    LYS  24           HN       LYS  24   7.506  -0.812  -0.038
  204    HA   LYS  24           HA       LYS  24  10.131  -2.049   0.484
  205   1HB   LYS  24          2HB       LYS  24   8.132  -1.597   2.096
  206   2HB   LYS  24          1HB       LYS  24   7.415  -3.033   1.366
  207   1HG   LYS  24          2HG       LYS  24  10.247  -3.164   2.342
  208   2HG   LYS  24          1HG       LYS  24   8.933  -3.256   3.516
  209   1HD   LYS  24          2HD       LYS  24   7.966  -5.013   1.765
  210   2HD   LYS  24          1HD       LYS  24   9.672  -5.174   1.345
  211   1HE   LYS  24          2HE       LYS  24   9.980  -5.331   3.978
  212   2HE   LYS  24          1HE       LYS  24   8.286  -5.859   3.917
  213   1HZ   LYS  24          1HZ       LYS  24   9.630  -7.779   3.594
  214   2HZ   LYS  24          2HZ       LYS  24  10.584  -7.001   2.423
  215   3HZ   LYS  24          3HZ       LYS  24   8.964  -7.386   2.085
  216    H    PHE  25           HN       PHE  25   6.949  -3.181  -0.729
  217    HA   PHE  25           HA       PHE  25   8.250  -5.499  -1.986
  218   1HB   PHE  25          2HB       PHE  25   6.192  -5.640  -0.530
  219   2HB   PHE  25          1HB       PHE  25   5.324  -4.752  -1.784
  220    HD1  PHE  25           1HD      PHE  25   4.095  -6.045  -3.259
  221    HD2  PHE  25           2HD      PHE  25   7.716  -7.646  -1.599
  222    HE1  PHE  25           1HE      PHE  25   3.736  -8.155  -4.514
  223    HE2  PHE  25           2HE      PHE  25   7.361  -9.757  -2.854
  224    HZ   PHE  25           HZ       PHE  25   5.369 -10.011  -4.311
  225    H    LYS  26           HN       LYS  26   9.229  -3.646  -3.468
  226    HA   LYS  26           HA       LYS  26   7.746  -2.219  -5.381
  227   1HB   LYS  26          2HB       LYS  26  10.457  -3.540  -5.402
  228   2HB   LYS  26          1HB       LYS  26   9.907  -2.545  -6.750
  229   1HG   LYS  26          2HG       LYS  26   9.364  -0.779  -4.904
  230   2HG   LYS  26          1HG       LYS  26  10.470  -1.727  -3.910
  231   1HD   LYS  26          2HD       LYS  26  11.955  -1.544  -6.154
  232   2HD   LYS  26          1HD       LYS  26  11.039  -0.044  -6.295
  233   1HE   LYS  26          2HE       LYS  26  12.117   0.919  -4.522
  234   2HE   LYS  26          1HE       LYS  26  12.127  -0.592  -3.590
  235   1HZ   LYS  26          1HZ       LYS  26  13.809  -1.455  -5.132
  236   2HZ   LYS  26          2HZ       LYS  26  14.361  -0.078  -4.309
  237   3HZ   LYS  26          3HZ       LYS  26  13.852   0.046  -5.925
  238    H    GLY  27           HN       GLY  27   8.371  -5.629  -5.237
  239   1HA   GLY  27          2HA       GLY  27   6.828  -7.116  -6.496
  240   2HA   GLY  27          1HA       GLY  27   6.930  -5.970  -7.833
  241    H    ARG  28           HN       ARG  28   9.581  -7.225  -5.830
  242    HA   ARG  28           HA       ARG  28  11.055  -7.979  -8.281
  243   1HB   ARG  28          2HB       ARG  28  12.909  -8.276  -6.658
  244   2HB   ARG  28          1HB       ARG  28  12.127  -6.710  -6.462
  245   1HG   ARG  28          2HG       ARG  28  11.717  -7.194  -4.302
  246   2HG   ARG  28          1HG       ARG  28  10.710  -8.549  -4.807
  247   1HD   ARG  28          2HD       ARG  28  12.950  -9.849  -5.071
  248   2HD   ARG  28          1HD       ARG  28  13.636  -8.559  -4.063
  249    HE   ARG  28           HE       ARG  28  11.408  -9.188  -2.646
  250   1HH1  ARG  28          1HH2      ARG  28  11.861 -11.805  -4.370
  251   2HH1  ARG  28          2HH2      ARG  28  12.572 -12.812  -3.153
  252   1HH2  ARG  28          1HH1      ARG  28  13.175 -10.191  -0.962
  253   2HH2  ARG  28          2HH1      ARG  28  13.316 -11.898  -1.223
  Start of MODEL   10
    1   1H    GLU   1          1HT       GLU   1 -12.325   8.282   5.587
    2   2H    GLU   1          2HT       GLU   1 -10.781   7.833   6.135
    3   3H    GLU   1          3HT       GLU   1 -12.166   7.135   6.827
    4    HA   GLU   1           HA       GLU   1 -11.072   5.600   5.271
    5   1HB   GLU   1          2HB       GLU   1 -13.688   6.165   5.714
    6   2HB   GLU   1          1HB       GLU   1 -13.621   6.400   3.967
    7   1HG   GLU   1          2HG       GLU   1 -12.264   4.105   4.080
    8   2HG   GLU   1          1HG       GLU   1 -13.202   3.910   5.561
    9    H    GLN   2           HN       GLN   2  -9.598   5.783   3.635
   10    HA   GLN   2           HA       GLN   2  -9.985   7.889   1.545
   11   1HB   GLN   2          2HB       GLN   2  -7.851   7.197   3.144
   12   2HB   GLN   2          1HB       GLN   2  -7.479   6.331   1.653
   13   1HG   GLN   2          2HG       GLN   2  -7.959   8.520   0.424
   14   2HG   GLN   2          1HG       GLN   2  -7.944   9.298   2.006
   15   1HE2  GLN   2          1HE2      GLN   2  -5.984   9.900  -0.025
   16   2HE2  GLN   2          2HE2      GLN   2  -4.471   9.368   0.533
   17    H    TYR   3           HN       TYR   3  -8.434   6.790  -0.461
   18    HA   TYR   3           HA       TYR   3 -10.133   5.256  -2.009
   19   1HB   TYR   3          2HB       TYR   3  -7.975   4.567  -3.193
   20   2HB   TYR   3          1HB       TYR   3  -8.254   6.292  -2.982
   21    HD1  TYR   3           1HD      TYR   3  -6.469   7.546  -2.299
   22    HD2  TYR   3           2HD      TYR   3  -6.732   3.465  -0.993
   23    HE1  TYR   3           1HE      TYR   3  -4.337   7.793  -1.080
   24    HE2  TYR   3           2HE      TYR   3  -4.612   3.716   0.219
   25    HH   TYR   3           HH       TYR   3  -2.449   5.480  -0.190
   26    H    THR   4           HN       THR   4  -9.993   2.974  -2.717
   27    HA   THR   4           HA       THR   4  -9.518   1.161  -0.390
   28    HB   THR   4           HB       THR   4 -11.061   0.655  -2.948
   29    HG1  THR   4           1HG      THR   4 -11.958   1.747  -0.490
   30   1HG2  THR   4          1HG2      THR   4 -11.102  -0.549  -0.171
   31   2HG2  THR   4          2HG2      THR   4 -10.628  -1.348  -1.670
   32   3HG2  THR   4          3HG2      THR   4 -12.312  -0.897  -1.405
   33    H    ALA   5           HN       ALA   5  -7.348   2.094  -2.217
   34    HA   ALA   5           HA       ALA   5  -6.553   0.348  -4.238
   35   1HB   ALA   5          1HB       ALA   5  -5.471   2.445  -2.925
   36   2HB   ALA   5          2HB       ALA   5  -4.529   1.390  -3.981
   37   3HB   ALA   5          3HB       ALA   5  -4.505   1.135  -2.231
   38    H    LYS   6           HN       LYS   6  -6.192  -1.824  -4.239
   39    HA   LYS   6           HA       LYS   6  -5.496  -3.148  -1.643
   40   1HB   LYS   6          2HB       LYS   6  -6.483  -5.181  -2.758
   41   2HB   LYS   6          1HB       LYS   6  -7.634  -3.872  -2.499
   42   1HG   LYS   6          2HG       LYS   6  -7.777  -3.364  -4.750
   43   2HG   LYS   6          1HG       LYS   6  -6.148  -3.941  -5.094
   44   1HD   LYS   6          2HD       LYS   6  -7.090  -6.288  -4.489
   45   2HD   LYS   6          1HD       LYS   6  -8.672  -5.544  -4.730
   46   1HE   LYS   6          2HE       LYS   6  -7.981  -4.839  -7.015
   47   2HE   LYS   6          1HE       LYS   6  -6.424  -5.657  -6.775
   48   1HZ   LYS   6          1HZ       LYS   6  -9.125  -6.892  -6.677
   49   2HZ   LYS   6          2HZ       LYS   6  -7.700  -7.690  -6.208
   50   3HZ   LYS   6          3HZ       LYS   6  -7.909  -7.194  -7.820
   51    H    TYR   7           HN       TYR   7  -3.714  -4.462  -1.565
   52    HA   TYR   7           HA       TYR   7  -2.110  -4.797  -4.078
   53   1HB   TYR   7          2HB       TYR   7  -1.291  -3.913  -1.311
   54   2HB   TYR   7          1HB       TYR   7  -0.133  -4.456  -2.509
   55    HD1  TYR   7           1HD      TYR   7   0.667  -3.024  -4.107
   56    HD2  TYR   7           2HD      TYR   7  -2.938  -2.064  -2.019
   57    HE1  TYR   7           1HE      TYR   7   0.673  -0.793  -5.161
   58    HE2  TYR   7           2HE      TYR   7  -2.975   0.182  -3.055
   59    HH   TYR   7           HH       TYR   7  -1.569   1.008  -5.657
   60    H    LYS   8           HN       LYS   8  -2.114  -6.969  -4.446
   61    HA   LYS   8           HA       LYS   8  -2.013  -9.303  -4.062
   62   1HB   LYS   8          2HB       LYS   8   0.146  -8.002  -2.945
   63   2HB   LYS   8          1HB       LYS   8  -0.446  -8.956  -1.587
   64   1HG   LYS   8          2HG       LYS   8   0.144 -10.066  -4.348
   65   2HG   LYS   8          1HG       LYS   8   1.225 -10.197  -2.961
   66   1HD   LYS   8          2HD       LYS   8  -0.802 -11.259  -1.742
   67   2HD   LYS   8          1HD       LYS   8  -1.484 -11.464  -3.355
   68   1HE   LYS   8          2HE       LYS   8  -0.293 -13.402  -3.460
   69   2HE   LYS   8          1HE       LYS   8   1.154 -12.387  -3.611
   70   1HZ   LYS   8          1HZ       LYS   8  -0.110 -13.216  -1.049
   71   2HZ   LYS   8          2HZ       LYS   8   1.283 -12.255  -1.206
   72   3HZ   LYS   8          3HZ       LYS   8   1.314 -13.878  -1.698
   73    H    GLY   9           HN       GLY   9  -4.121  -7.630  -2.563
   74   1HA   GLY   9          2HA       GLY   9  -5.987  -8.621  -1.367
   75   2HA   GLY   9          1HA       GLY   9  -4.868  -9.773  -0.640
   76    H    ARG  10           HN       ARG  10  -4.337  -6.274  -0.838
   77    HA   ARG  10           HA       ARG  10  -4.894  -6.002   2.082
   78   1HB   ARG  10          2HB       ARG  10  -2.295  -5.299   0.674
   79   2HB   ARG  10          1HB       ARG  10  -2.648  -4.988   2.373
   80   1HG   ARG  10          2HG       ARG  10  -2.993  -7.449   2.697
   81   2HG   ARG  10          1HG       ARG  10  -2.475  -7.701   1.030
   82   1HD   ARG  10          2HD       ARG  10  -0.360  -6.331   1.733
   83   2HD   ARG  10          1HD       ARG  10  -0.849  -6.758   3.384
   84    HE   ARG  10           HE       ARG  10  -0.146  -8.711   1.246
   85   1HH1  ARG  10          1HH1      ARG  10   1.074  -8.195   4.095
   86   2HH1  ARG  10          2HH1      ARG  10   0.541  -9.634   4.898
   87   1HH2  ARG  10          1HH2      ARG  10  -1.757 -10.472   2.441
   88   2HH2  ARG  10          2HH2      ARG  10  -1.062 -10.923   3.962
   89    H    THR  11           HN       THR  11  -6.470  -4.406   1.906
   90    HA   THR  11           HA       THR  11  -6.479  -2.355  -0.119
   91    HB   THR  11           HB       THR  11  -7.883  -2.479   2.562
   92    HG1  THR  11           1HG      THR  11  -8.723  -4.172   1.643
   93   1HG2  THR  11          1HG2      THR  11  -8.345  -0.340   1.812
   94   2HG2  THR  11          2HG2      THR  11  -9.612  -1.229   0.966
   95   3HG2  THR  11          3HG2      THR  11  -8.134  -0.777   0.115
   96    H    PHE  12           HN       PHE  12  -6.329   0.025   0.370
   97    HA   PHE  12           HA       PHE  12  -4.529   0.660   2.675
   98   1HB   PHE  12          2HB       PHE  12  -4.181   1.205  -0.282
   99   2HB   PHE  12          1HB       PHE  12  -3.440   2.277   0.924
  100    HD1  PHE  12           1HD      PHE  12  -1.578   1.518   2.305
  101    HD2  PHE  12           2HD      PHE  12  -3.674  -1.134  -0.342
  102    HE1  PHE  12           1HE      PHE  12   0.207  -0.195   2.611
  103    HE2  PHE  12           2HE      PHE  12  -1.918  -2.851   0.004
  104    HZ   PHE  12           HZ       PHE  12   0.021  -2.384   1.467
  105    H    ARG  13           HN       ARG  13  -5.238   2.384   3.822
  106    HA   ARG  13           HA       ARG  13  -7.190   4.266   2.533
  107   1HB   ARG  13          2HB       ARG  13  -7.079   3.085   5.327
  108   2HB   ARG  13          1HB       ARG  13  -8.198   4.358   4.844
  109   1HG   ARG  13          2HG       ARG  13  -9.227   2.918   3.192
  110   2HG   ARG  13          1HG       ARG  13  -8.012   1.667   3.463
  111   1HD   ARG  13          2HD       ARG  13  -8.799   1.456   5.827
  112   2HD   ARG  13          1HD       ARG  13 -10.081   2.630   5.472
  113    HE   ARG  13           HE       ARG  13  -9.804   0.107   3.887
  114   1HH1  ARG  13          1HH2      ARG  13 -11.479   0.016   6.406
  115   2HH1  ARG  13          2HH2      ARG  13 -13.062   0.335   5.780
  116   1HH2  ARG  13          1HH1      ARG  13 -11.906   1.562   2.750
  117   2HH2  ARG  13          2HH1      ARG  13 -13.304   1.213   3.711
  118    H    ASN  14           HN       ASN  14  -4.263   4.515   2.750
  119    HA   ASN  14           HA       ASN  14  -4.117   7.190   3.912
  120   1HB   ASN  14          2HB       ASN  14  -3.915   5.144   5.696
  121   2HB   ASN  14          1HB       ASN  14  -2.224   5.315   5.224
  122   1HD2  ASN  14          1HD2      ASN  14  -1.152   7.372   5.694
  123   2HD2  ASN  14          2HD2      ASN  14  -1.820   8.479   6.791
  124    H    GLU  15           HN       GLU  15  -2.299   8.281   3.094
  125    HA   GLU  15           HA       GLU  15  -0.908   7.088   0.846
  126   1HB   GLU  15          2HB       GLU  15  -1.607   9.544   1.378
  127   2HB   GLU  15          1HB       GLU  15  -0.101   9.607   2.295
  128   1HG   GLU  15          2HG       GLU  15   0.905   8.559   0.077
  129   2HG   GLU  15          1HG       GLU  15  -0.513   9.309  -0.656
  130    H    LYS  16           HN       LYS  16   0.052   7.935   4.177
  131    HA   LYS  16           HA       LYS  16   2.806   7.422   4.040
  132   1HB   LYS  16          2HB       LYS  16   0.752   7.010   6.213
  133   2HB   LYS  16          1HB       LYS  16   2.487   6.886   6.509
  134   1HG   LYS  16          2HG       LYS  16   1.674   9.325   5.051
  135   2HG   LYS  16          1HG       LYS  16   1.048   9.217   6.696
  136   1HD   LYS  16          2HD       LYS  16   3.373   8.729   7.495
  137   2HD   LYS  16          1HD       LYS  16   3.953   9.013   5.852
  138   1HE   LYS  16          2HE       LYS  16   4.237  11.136   6.804
  139   2HE   LYS  16          1HE       LYS  16   2.603  11.293   6.129
  140   1HZ   LYS  16          1HZ       LYS  16   3.311  10.499   8.905
  141   2HZ   LYS  16          2HZ       LYS  16   1.736  10.458   8.270
  142   3HZ   LYS  16          3HZ       LYS  16   2.546  11.939   8.428
  143    H    GLU  17           HN       GLU  17   0.170   5.183   4.637
  144    HA   GLU  17           HA       GLU  17   1.733   2.817   5.102
  145   1HB   GLU  17          2HB       GLU  17  -1.074   3.319   4.069
  146   2HB   GLU  17          1HB       GLU  17  -0.474   1.715   4.480
  147   1HG   GLU  17          2HG       GLU  17  -0.362   4.015   6.433
  148   2HG   GLU  17          1HG       GLU  17  -1.766   2.953   6.309
  149    H    LEU  18           HN       LEU  18  -0.199   3.624   2.214
  150    HA   LEU  18           HA       LEU  18   0.825   1.655   0.485
  151   1HB   LEU  18          2HB       LEU  18  -1.139   3.369   0.316
  152   2HB   LEU  18          1HB       LEU  18   0.061   4.428  -0.421
  153    HG   LEU  18           HG       LEU  18   0.552   2.655  -2.092
  154   1HD1  LEU  18          1HD1      LEU  18  -0.670   0.951  -0.325
  155   2HD1  LEU  18          2HD1      LEU  18  -0.384   0.567  -1.998
  156   3HD1  LEU  18          3HD1      LEU  18  -1.948   1.190  -1.497
  157   1HD2  LEU  18          1HD2      LEU  18  -2.415   3.199  -2.066
  158   2HD2  LEU  18          2HD2      LEU  18  -1.325   3.132  -3.452
  159   3HD2  LEU  18          3HD2      LEU  18  -1.248   4.494  -2.334
  160    H    ARG  19           HN       ARG  19   2.033   4.980   0.983
  161    HA   ARG  19           HA       ARG  19   4.077   4.943  -1.005
  162   1HB   ARG  19          2HB       ARG  19   3.708   6.335   1.649
  163   2HB   ARG  19          1HB       ARG  19   5.108   6.657   0.626
  164   1HG   ARG  19          2HG       ARG  19   2.470   6.720  -0.736
  165   2HG   ARG  19          1HG       ARG  19   2.776   8.021   0.415
  166   1HD   ARG  19          2HD       ARG  19   3.684   8.916  -1.559
  167   2HD   ARG  19          1HD       ARG  19   5.114   8.155  -0.833
  168    HE   ARG  19           HE       ARG  19   4.807   6.254  -2.339
  169   1HH1  ARG  19          1HH1      ARG  19   1.812   7.592  -2.472
  170   2HH1  ARG  19          2HH1      ARG  19   1.703   7.700  -4.197
  171   1HH2  ARG  19          1HH2      ARG  19   5.051   6.962  -4.719
  172   2HH2  ARG  19          2HH2      ARG  19   3.538   7.343  -5.470
  173    H    ASP  20           HN       ASP  20   3.869   3.302   2.060
  174    HA   ASP  20           HA       ASP  20   6.793   2.732   2.080
  175   1HB   ASP  20          2HB       ASP  20   4.530   2.786   4.016
  176   2HB   ASP  20          1HB       ASP  20   5.797   1.595   4.320
  177    H    PHE  21           HN       PHE  21   3.637   1.188   1.646
  178    HA   PHE  21           HA       PHE  21   4.469  -1.551   1.901
  179   1HB   PHE  21          2HB       PHE  21   2.144  -0.791   1.926
  180   2HB   PHE  21          1HB       PHE  21   2.243  -0.308   0.245
  181    HD1  PHE  21           1HD      PHE  21   2.187  -1.963  -1.541
  182    HD2  PHE  21           2HD      PHE  21   2.474  -3.135   2.575
  183    HE1  PHE  21           1HE      PHE  21   1.780  -4.326  -2.186
  184    HE2  PHE  21           2HE      PHE  21   2.038  -5.502   1.940
  185    HZ   PHE  21           HZ       PHE  21   1.698  -6.095  -0.446
  186    H    ILE  22           HN       ILE  22   3.505  -0.065  -1.192
  187    HA   ILE  22           HA       ILE  22   4.690  -1.857  -2.962
  188    HB   ILE  22           HB       ILE  22   4.339   1.149  -3.176
  189   1HG1  ILE  22          2HG1      ILE  22   2.420  -0.145  -4.694
  190   2HG1  ILE  22          1HG1      ILE  22   2.578  -1.207  -3.299
  191   1HG2  ILE  22          1HG2      ILE  22   4.410   0.805  -5.596
  192   2HG2  ILE  22          2HG2      ILE  22   4.633  -0.929  -5.367
  193   3HG2  ILE  22          3HG2      ILE  22   5.907   0.196  -4.891
  194   1HD1  ILE  22          1HD1      ILE  22   1.568   0.257  -1.935
  195   2HD1  ILE  22          2HD1      ILE  22   1.046   1.082  -3.402
  196   3HD1  ILE  22          3HD1      ILE  22   2.500   1.619  -2.560
  197    H    GLU  23           HN       GLU  23   6.182   0.795  -1.196
  198    HA   GLU  23           HA       GLU  23   8.704   0.928  -2.562
  199   1HB   GLU  23          2HB       GLU  23   7.574   2.425  -0.730
  200   2HB   GLU  23          1HB       GLU  23   8.345   1.318   0.408
  201   1HG   GLU  23          2HG       GLU  23  10.480   1.779  -1.088
  202   2HG   GLU  23          1HG       GLU  23   9.604   3.255  -1.500
  203    H    LYS  24           HN       LYS  24   7.525  -1.078   0.116
  204    HA   LYS  24           HA       LYS  24  10.097  -2.488   0.405
  205   1HB   LYS  24          2HB       LYS  24   8.591  -1.944   2.313
  206   2HB   LYS  24          1HB       LYS  24   7.336  -2.952   1.591
  207   1HG   LYS  24          2HG       LYS  24   8.422  -4.320   3.224
  208   2HG   LYS  24          1HG       LYS  24   9.016  -4.868   1.656
  209   1HD   LYS  24          2HD       LYS  24  10.854  -2.963   2.171
  210   2HD   LYS  24          1HD       LYS  24  10.450  -3.421   3.825
  211   1HE   LYS  24          2HE       LYS  24  10.678  -5.889   2.713
  212   2HE   LYS  24          1HE       LYS  24  11.851  -4.990   1.730
  213   1HZ   LYS  24          1HZ       LYS  24  11.707  -5.017   4.699
  214   2HZ   LYS  24          2HZ       LYS  24  12.776  -4.068   3.786
  215   3HZ   LYS  24          3HZ       LYS  24  12.904  -5.761   3.750
  216    H    PHE  25           HN       PHE  25   6.752  -3.332  -0.561
  217    HA   PHE  25           HA       PHE  25   7.699  -5.837  -1.768
  218   1HB   PHE  25          2HB       PHE  25   5.701  -5.723  -0.278
  219   2HB   PHE  25          1HB       PHE  25   4.927  -4.654  -1.446
  220    HD1  PHE  25           1HD      PHE  25   3.221  -5.802  -2.511
  221    HD2  PHE  25           2HD      PHE  25   6.975  -7.780  -1.862
  222    HE1  PHE  25           1HE      PHE  25   2.406  -7.766  -3.788
  223    HE2  PHE  25           2HE      PHE  25   6.164  -9.744  -3.142
  224    HZ   PHE  25           HZ       PHE  25   3.877  -9.737  -4.105
  225    H    LYS  26           HN       LYS  26   8.855  -4.047  -3.281
  226    HA   LYS  26           HA       LYS  26   7.430  -2.614  -5.254
  227   1HB   LYS  26          2HB       LYS  26  10.126  -3.959  -5.150
  228   2HB   LYS  26          1HB       LYS  26   9.626  -3.020  -6.557
  229   1HG   LYS  26          2HG       LYS  26   8.982  -1.260  -4.623
  230   2HG   LYS  26          1HG       LYS  26  10.303  -2.099  -3.810
  231   1HD   LYS  26          2HD       LYS  26  10.492  -0.938  -6.604
  232   2HD   LYS  26          1HD       LYS  26  11.058  -0.115  -5.150
  233   1HE   LYS  26          2HE       LYS  26  12.426  -2.294  -4.713
  234   2HE   LYS  26          1HE       LYS  26  12.144  -2.620  -6.434
  235   1HZ   LYS  26          1HZ       LYS  26  14.115  -1.324  -6.287
  236   2HZ   LYS  26          2HZ       LYS  26  13.385  -0.202  -5.241
  237   3HZ   LYS  26          3HZ       LYS  26  12.894  -0.293  -6.862
  238    H    GLY  27           HN       GLY  27   7.856  -6.031  -4.961
  239   1HA   GLY  27          2HA       GLY  27   7.249  -6.558  -7.794
  240   2HA   GLY  27          1HA       GLY  27   7.560  -7.779  -6.560
  241    H    ARG  28           HN       ARG  28   5.185  -5.115  -6.777
  242    HA   ARG  28           HA       ARG  28   3.069  -6.712  -5.597
  243   1HB   ARG  28          2HB       ARG  28   1.720  -4.694  -6.143
  244   2HB   ARG  28          1HB       ARG  28   3.244  -4.271  -5.368
  245   1HG   ARG  28          2HG       ARG  28   3.600  -2.879  -7.114
  246   2HG   ARG  28          1HG       ARG  28   3.895  -4.326  -8.078
  247   1HD   ARG  28          2HD       ARG  28   1.882  -4.163  -9.161
  248   2HD   ARG  28          1HD       ARG  28   1.034  -3.614  -7.701
  249    HE   ARG  28           HE       ARG  28   1.885  -1.363  -8.108
  250   1HH1  ARG  28          1HH1      ARG  28   0.725  -2.252 -10.793
  251   2HH1  ARG  28          2HH1      ARG  28   1.974  -1.738 -11.879
  252   1HH2  ARG  28          1HH2      ARG  28   4.343  -1.326  -9.380
  253   2HH2  ARG  28          2HH2      ARG  28   4.022  -1.215 -11.079
  Start of MODEL   11
    1   1H    GLU   1          1HT       GLU   1 -10.174   5.272   5.806
    2   2H    GLU   1          2HT       GLU   1 -11.062   5.922   7.101
    3   3H    GLU   1          3HT       GLU   1  -9.974   6.901   6.236
    4    HA   GLU   1           HA       GLU   1 -12.379   5.655   5.010
    5   1HB   GLU   1          2HB       GLU   1 -11.934   8.022   6.728
    6   2HB   GLU   1          1HB       GLU   1 -12.866   8.338   5.266
    7   1HG   GLU   1          2HG       GLU   1 -13.743   5.865   6.525
    8   2HG   GLU   1          1HG       GLU   1 -13.819   7.208   7.665
    9    H    GLN   2           HN       GLN   2  -9.732   5.692   3.895
   10    HA   GLN   2           HA       GLN   2  -9.859   7.940   1.918
   11   1HB   GLN   2          2HB       GLN   2  -7.790   6.688   3.482
   12   2HB   GLN   2          1HB       GLN   2  -7.431   6.424   1.776
   13   1HG   GLN   2          2HG       GLN   2  -6.486   8.501   1.960
   14   2HG   GLN   2          1HG       GLN   2  -8.146   9.030   1.683
   15   1HE2  GLN   2          1HE2      GLN   2  -5.575   9.584   3.707
   16   2HE2  GLN   2          2HE2      GLN   2  -6.410  10.075   5.099
   17    H    TYR   3           HN       TYR   3  -8.441   6.880  -0.151
   18    HA   TYR   3           HA       TYR   3 -10.213   5.443  -1.714
   19   1HB   TYR   3          2HB       TYR   3  -8.090   4.766  -2.982
   20   2HB   TYR   3          1HB       TYR   3  -8.356   6.484  -2.709
   21    HD1  TYR   3           1HD      TYR   3  -6.526   7.699  -2.075
   22    HD2  TYR   3           2HD      TYR   3  -6.812   3.604  -0.818
   23    HE1  TYR   3           1HE      TYR   3  -4.355   7.899  -0.911
   24    HE2  TYR   3           2HE      TYR   3  -4.653   3.807   0.337
   25    HH   TYR   3           HH       TYR   3  -3.094   6.850   0.831
   26    H    THR   4           HN       THR   4 -10.113   3.178  -2.527
   27    HA   THR   4           HA       THR   4  -9.612   1.277  -0.275
   28    HB   THR   4           HB       THR   4 -11.214   0.849  -2.806
   29    HG1  THR   4           1HG      THR   4 -12.381   2.418  -2.020
   30   1HG2  THR   4          1HG2      THR   4 -11.799  -0.299  -0.098
   31   2HG2  THR   4          2HG2      THR   4 -10.504  -1.000  -1.070
   32   3HG2  THR   4          3HG2      THR   4 -12.154  -0.963  -1.693
   33    H    ALA   5           HN       ALA   5  -7.435   2.204  -2.034
   34    HA   ALA   5           HA       ALA   5  -6.723   0.531  -4.164
   35   1HB   ALA   5          1HB       ALA   5  -5.575   2.549  -2.770
   36   2HB   ALA   5          2HB       ALA   5  -4.675   1.528  -3.895
   37   3HB   ALA   5          3HB       ALA   5  -4.626   1.184  -2.160
   38    H    LYS   6           HN       LYS   6  -6.324  -1.658  -4.257
   39    HA   LYS   6           HA       LYS   6  -5.672  -3.058  -1.687
   40   1HB   LYS   6          2HB       LYS   6  -6.695  -5.048  -2.834
   41   2HB   LYS   6          1HB       LYS   6  -7.824  -3.726  -2.547
   42   1HG   LYS   6          2HG       LYS   6  -7.928  -3.145  -4.797
   43   2HG   LYS   6          1HG       LYS   6  -6.344  -3.827  -5.156
   44   1HD   LYS   6          2HD       LYS   6  -7.187  -5.901  -5.548
   45   2HD   LYS   6          1HD       LYS   6  -8.307  -5.806  -4.189
   46   1HE   LYS   6          2HE       LYS   6  -9.597  -5.891  -6.271
   47   2HE   LYS   6          1HE       LYS   6  -9.747  -4.261  -5.584
   48   1HZ   LYS   6          1HZ       LYS   6  -9.130  -4.263  -7.970
   49   2HZ   LYS   6          2HZ       LYS   6  -7.681  -5.052  -7.566
   50   3HZ   LYS   6          3HZ       LYS   6  -7.984  -3.489  -6.982
   51    H    TYR   7           HN       TYR   7  -3.904  -4.387  -1.635
   52    HA   TYR   7           HA       TYR   7  -2.340  -4.744  -4.168
   53   1HB   TYR   7          2HB       TYR   7  -1.431  -3.851  -1.427
   54   2HB   TYR   7          1HB       TYR   7  -0.321  -4.400  -2.666
   55    HD1  TYR   7           1HD      TYR   7   0.418  -2.972  -4.309
   56    HD2  TYR   7           2HD      TYR   7  -3.073  -1.992  -2.044
   57    HE1  TYR   7           1HE      TYR   7   0.399  -0.727  -5.341
   58    HE2  TYR   7           2HE      TYR   7  -3.130   0.262  -3.054
   59    HH   TYR   7           HH       TYR   7  -1.986   1.143  -5.615
   60    H    LYS   8           HN       LYS   8  -2.325  -6.913  -4.518
   61    HA   LYS   8           HA       LYS   8  -2.179  -9.238  -4.134
   62   1HB   LYS   8          2HB       LYS   8  -0.515  -8.122  -1.856
   63   2HB   LYS   8          1HB       LYS   8  -0.480  -9.804  -2.390
   64   1HG   LYS   8          2HG       LYS   8   0.086  -7.457  -4.218
   65   2HG   LYS   8          1HG       LYS   8   1.345  -8.361  -3.378
   66   1HD   LYS   8          2HD       LYS   8  -0.518 -10.143  -4.753
   67   2HD   LYS   8          1HD       LYS   8   0.226  -8.997  -5.866
   68   1HE   LYS   8          2HE       LYS   8   2.411  -9.723  -4.418
   69   2HE   LYS   8          1HE       LYS   8   1.470 -11.227  -4.359
   70   1HZ   LYS   8          1HZ       LYS   8   1.105 -10.974  -6.780
   71   2HZ   LYS   8          2HZ       LYS   8   2.737 -11.220  -6.375
   72   3HZ   LYS   8          3HZ       LYS   8   2.184  -9.665  -6.783
   73    H    GLY   9           HN       GLY   9  -4.333  -7.581  -2.620
   74   1HA   GLY   9          2HA       GLY   9  -6.212  -8.672  -1.509
   75   2HA   GLY   9          1HA       GLY   9  -5.075  -9.795  -0.768
   76    H    ARG  10           HN       ARG  10  -4.561  -6.302  -0.865
   77    HA   ARG  10           HA       ARG  10  -5.327  -6.075   2.011
   78   1HB   ARG  10          2HB       ARG  10  -2.614  -5.447   0.799
   79   2HB   ARG  10          1HB       ARG  10  -3.083  -5.076   2.459
   80   1HG   ARG  10          2HG       ARG  10  -3.560  -7.517   2.804
   81   2HG   ARG  10          1HG       ARG  10  -2.896  -7.824   1.199
   82   1HD   ARG  10          2HD       ARG  10  -0.759  -6.708   1.944
   83   2HD   ARG  10          1HD       ARG  10  -1.430  -6.661   3.587
   84    HE   ARG  10           HE       ARG  10  -1.649  -9.164   3.429
   85   1HH1  ARG  10          1HH1      ARG  10   1.263  -8.479   3.492
   86   2HH1  ARG  10          2HH1      ARG  10   1.882  -9.389   2.155
   87   1HH2  ARG  10          1HH2      ARG  10  -1.233  -9.911   0.725
   88   2HH2  ARG  10          2HH2      ARG  10   0.469 -10.199   0.589
   89    H    THR  11           HN       THR  11  -6.785  -4.388   1.879
   90    HA   THR  11           HA       THR  11  -6.680  -2.330  -0.139
   91    HB   THR  11           HB       THR  11  -8.128  -2.350   2.521
   92    HG1  THR  11           1HG      THR  11  -8.965  -4.080   1.653
   93   1HG2  THR  11          1HG2      THR  11  -9.765  -0.959   1.270
   94   2HG2  THR  11          2HG2      THR  11  -8.690  -0.982  -0.128
   95   3HG2  THR  11          3HG2      THR  11  -8.180  -0.189   1.364
   96    H    PHE  12           HN       PHE  12  -6.442   0.056   0.411
   97    HA   PHE  12           HA       PHE  12  -4.576   0.523   2.708
   98   1HB   PHE  12          2HB       PHE  12  -4.279   1.182  -0.230
   99   2HB   PHE  12          1HB       PHE  12  -3.461   2.166   1.000
  100    HD1  PHE  12           1HD      PHE  12  -1.553   1.296   2.220
  101    HD2  PHE  12           2HD      PHE  12  -3.919  -1.211  -0.334
  102    HE1  PHE  12           1HE      PHE  12   0.156  -0.507   2.413
  103    HE2  PHE  12           2HE      PHE  12  -2.256  -3.028  -0.083
  104    HZ   PHE  12           HZ       PHE  12  -0.211  -2.678   1.272
  105    H    ARG  13           HN       ARG  13  -5.386   2.067   4.010
  106    HA   ARG  13           HA       ARG  13  -7.191   4.159   2.837
  107   1HB   ARG  13          2HB       ARG  13  -7.130   2.674   5.475
  108   2HB   ARG  13          1HB       ARG  13  -8.057   4.161   5.273
  109   1HG   ARG  13          2HG       ARG  13  -9.467   3.195   3.632
  110   2HG   ARG  13          1HG       ARG  13  -8.367   1.843   3.365
  111   1HD   ARG  13          2HD       ARG  13  -8.938   0.824   5.443
  112   2HD   ARG  13          1HD       ARG  13  -9.717   2.304   6.040
  113    HE   ARG  13           HE       ARG  13 -11.413   1.975   4.188
  114   1HH1  ARG  13          1HH1      ARG  13 -10.982  -0.342   6.372
  115   2HH1  ARG  13          2HH1      ARG  13 -11.397  -1.699   5.378
  116   1HH2  ARG  13          1HH2      ARG  13 -11.286   0.100   2.415
  117   2HH2  ARG  13          2HH2      ARG  13 -11.569  -1.448   3.138
  118    H    ASN  14           HN       ASN  14  -4.295   4.323   2.951
  119    HA   ASN  14           HA       ASN  14  -4.008   6.857   4.391
  120   1HB   ASN  14          2HB       ASN  14  -3.779   5.267   6.216
  121   2HB   ASN  14          1HB       ASN  14  -2.617   4.311   5.295
  122   1HD2  ASN  14          1HD2      ASN  14  -3.043   7.694   6.437
  123   2HD2  ASN  14          2HD2      ASN  14  -1.408   7.933   6.827
  124    H    GLU  15           HN       GLU  15  -2.271   8.028   3.547
  125    HA   GLU  15           HA       GLU  15  -1.117   7.128   1.038
  126   1HB   GLU  15          2HB       GLU  15  -1.794   9.482   1.898
  127   2HB   GLU  15          1HB       GLU  15  -0.221   9.483   2.698
  128   1HG   GLU  15          2HG       GLU  15   0.954   9.461   0.682
  129   2HG   GLU  15          1HG       GLU  15  -0.395   8.757  -0.211
  130    H    LYS  16           HN       LYS  16   0.280   7.807   4.270
  131    HA   LYS  16           HA       LYS  16   2.972   7.252   3.733
  132   1HB   LYS  16          2HB       LYS  16   1.280   6.728   6.180
  133   2HB   LYS  16          1HB       LYS  16   3.044   6.714   6.187
  134   1HG   LYS  16          2HG       LYS  16   3.043   9.057   5.353
  135   2HG   LYS  16          1HG       LYS  16   1.282   9.067   5.436
  136   1HD   LYS  16          2HD       LYS  16   1.649   9.903   7.529
  137   2HD   LYS  16          1HD       LYS  16   1.871   8.204   7.943
  138   1HE   LYS  16          2HE       LYS  16   4.313   9.449   6.866
  139   2HE   LYS  16          1HE       LYS  16   3.755  10.175   8.386
  140   1HZ   LYS  16          1HZ       LYS  16   5.171   8.128   8.635
  141   2HZ   LYS  16          2HZ       LYS  16   3.892   7.244   7.959
  142   3HZ   LYS  16          3HZ       LYS  16   3.668   8.074   9.425
  143    H    GLU  17           HN       GLU  17   0.397   5.028   4.581
  144    HA   GLU  17           HA       GLU  17   1.921   2.622   4.832
  145   1HB   GLU  17          2HB       GLU  17  -0.920   3.336   4.122
  146   2HB   GLU  17          1HB       GLU  17  -0.400   1.651   4.097
  147   1HG   GLU  17          2HG       GLU  17   0.055   3.447   6.483
  148   2HG   GLU  17          1HG       GLU  17  -1.405   2.476   6.290
  149    H    LEU  18           HN       LEU  18  -0.093   3.630   2.064
  150    HA   LEU  18           HA       LEU  18   0.791   1.697   0.205
  151   1HB   LEU  18          2HB       LEU  18  -1.106   3.543   0.235
  152   2HB   LEU  18          1HB       LEU  18   0.101   4.507  -0.612
  153    HG   LEU  18           HG       LEU  18   0.311   2.735  -2.318
  154   1HD1  LEU  18          1HD1      LEU  18  -0.883   1.109  -0.387
  155   2HD1  LEU  18          2HD1      LEU  18  -0.571   0.650  -2.043
  156   3HD1  LEU  18          3HD1      LEU  18  -2.138   1.305  -1.590
  157   1HD2  LEU  18          1HD2      LEU  18  -2.484   3.753  -1.760
  158   2HD2  LEU  18          2HD2      LEU  18  -2.005   3.003  -3.283
  159   3HD2  LEU  18          3HD2      LEU  18  -1.254   4.515  -2.770
  160    H    ARG  19           HN       ARG  19   2.034   5.023   0.675
  161    HA   ARG  19           HA       ARG  19   4.043   4.948  -1.342
  162   1HB   ARG  19          2HB       ARG  19   3.813   6.367   1.325
  163   2HB   ARG  19          1HB       ARG  19   5.090   6.720   0.163
  164   1HG   ARG  19          2HG       ARG  19   2.775   6.776  -1.388
  165   2HG   ARG  19          1HG       ARG  19   2.273   7.521   0.128
  166   1HD   ARG  19          2HD       ARG  19   3.330   9.434  -0.460
  167   2HD   ARG  19          1HD       ARG  19   4.869   8.558  -0.571
  168    HE   ARG  19           HE       ARG  19   4.386   8.096  -2.916
  169   1HH1  ARG  19          1HH2      ARG  19   1.395   8.870  -1.724
  170   2HH1  ARG  19          2HH2      ARG  19   0.973  10.004  -2.963
  171   1HH2  ARG  19          1HH1      ARG  19   4.156  10.086  -4.339
  172   2HH2  ARG  19          2HH1      ARG  19   2.537  10.692  -4.445
  173    H    ASP  20           HN       ASP  20   3.893   3.353   1.753
  174    HA   ASP  20           HA       ASP  20   6.814   2.777   1.732
  175   1HB   ASP  20          2HB       ASP  20   4.541   2.537   3.705
  176   2HB   ASP  20          1HB       ASP  20   6.083   1.731   3.997
  177    H    PHE  21           HN       PHE  21   3.642   1.194   1.424
  178    HA   PHE  21           HA       PHE  21   4.533  -1.533   1.577
  179   1HB   PHE  21          2HB       PHE  21   2.196  -0.840   1.737
  180   2HB   PHE  21          1HB       PHE  21   2.200  -0.278   0.077
  181    HD1  PHE  21           1HD      PHE  21   2.019  -1.833  -1.765
  182    HD2  PHE  21           2HD      PHE  21   2.647  -3.218   2.242
  183    HE1  PHE  21           1HE      PHE  21   1.613  -4.166  -2.512
  184    HE2  PHE  21           2HE      PHE  21   2.217  -5.559   1.510
  185    HZ   PHE  21           HZ       PHE  21   1.706  -6.029  -0.874
  186    H    ILE  22           HN       ILE  22   3.373  -0.031  -1.436
  187    HA   ILE  22           HA       ILE  22   4.501  -1.743  -3.311
  188    HB   ILE  22           HB       ILE  22   4.094   1.263  -3.405
  189   1HG1  ILE  22          2HG1      ILE  22   2.130  -0.014  -4.884
  190   2HG1  ILE  22          1HG1      ILE  22   2.366  -1.114  -3.532
  191   1HG2  ILE  22          1HG2      ILE  22   4.072   1.037  -5.828
  192   2HG2  ILE  22          2HG2      ILE  22   4.295  -0.708  -5.698
  193   3HG2  ILE  22          3HG2      ILE  22   5.597   0.386  -5.228
  194   1HD1  ILE  22          1HD1      ILE  22   1.400   0.300  -2.074
  195   2HD1  ILE  22          2HD1      ILE  22   0.789   1.142  -3.496
  196   3HD1  ILE  22          3HD1      ILE  22   2.271   1.696  -2.717
  197    H    GLU  23           HN       GLU  23   6.047   0.856  -1.527
  198    HA   GLU  23           HA       GLU  23   8.548   0.820  -3.056
  199   1HB   GLU  23          2HB       GLU  23   7.438   2.723  -1.693
  200   2HB   GLU  23          1HB       GLU  23   8.085   1.905  -0.271
  201   1HG   GLU  23          2HG       GLU  23  10.298   1.944  -1.851
  202   2HG   GLU  23          1HG       GLU  23   9.502   3.426  -2.384
  203    H    LYS  24           HN       LYS  24   7.335  -0.574  -0.027
  204    HA   LYS  24           HA       LYS  24   9.908  -1.718   0.758
  205   1HB   LYS  24          2HB       LYS  24   8.120  -1.062   2.346
  206   2HB   LYS  24          1HB       LYS  24   7.051  -2.272   1.637
  207   1HG   LYS  24          2HG       LYS  24   8.468  -4.073   2.369
  208   2HG   LYS  24          1HG       LYS  24   9.742  -2.950   2.851
  209   1HD   LYS  24          2HD       LYS  24   8.653  -2.321   4.778
  210   2HD   LYS  24          1HD       LYS  24   7.052  -2.573   4.082
  211   1HE   LYS  24          2HE       LYS  24   7.144  -4.919   4.422
  212   2HE   LYS  24          1HE       LYS  24   8.904  -4.899   4.656
  213   1HZ   LYS  24          1HZ       LYS  24   6.907  -3.571   6.414
  214   2HZ   LYS  24          2HZ       LYS  24   8.589  -3.528   6.625
  215   3HZ   LYS  24          3HZ       LYS  24   7.752  -4.998   6.786
  216    H    PHE  25           HN       PHE  25   6.823  -3.106  -0.436
  217    HA   PHE  25           HA       PHE  25   8.046  -5.701  -0.918
  218   1HB   PHE  25          2HB       PHE  25   5.705  -5.307  -0.124
  219   2HB   PHE  25          1HB       PHE  25   5.336  -4.594  -1.695
  220    HD1  PHE  25           1HD      PHE  25   4.127  -6.027  -3.048
  221    HD2  PHE  25           2HD      PHE  25   7.232  -7.631  -0.557
  222    HE1  PHE  25           1HE      PHE  25   3.711  -8.285  -3.987
  223    HE2  PHE  25           2HE      PHE  25   6.818  -9.892  -1.492
  224    HZ   PHE  25           HZ       PHE  25   5.057 -10.219  -3.209
  225    H    LYS  26           HN       LYS  26   9.578  -4.072  -2.420
  226    HA   LYS  26           HA       LYS  26   8.628  -3.462  -5.062
  227   1HB   LYS  26          2HB       LYS  26  11.282  -3.790  -3.695
  228   2HB   LYS  26          1HB       LYS  26  11.232  -3.560  -5.442
  229   1HG   LYS  26          2HG       LYS  26   9.517  -1.694  -3.922
  230   2HG   LYS  26          1HG       LYS  26  11.243  -1.515  -3.611
  231   1HD   LYS  26          2HD       LYS  26  11.491  -1.598  -6.200
  232   2HD   LYS  26          1HD       LYS  26   9.765  -1.232  -6.220
  233   1HE   LYS  26          2HE       LYS  26  10.482   0.660  -4.491
  234   2HE   LYS  26          1HE       LYS  26  12.051   0.478  -5.302
  235   1HZ   LYS  26          1HZ       LYS  26  10.962   0.719  -7.433
  236   2HZ   LYS  26          2HZ       LYS  26  10.613   2.069  -6.461
  237   3HZ   LYS  26          3HZ       LYS  26   9.446   0.854  -6.684
  238    H    GLY  27           HN       GLY  27   9.663  -6.415  -3.592
  239   1HA   GLY  27          2HA       GLY  27   9.580  -8.609  -4.463
  240   2HA   GLY  27          1HA       GLY  27   9.022  -7.934  -5.994
  241    H    ARG  28           HN       ARG  28  11.964  -6.988  -4.279
  242    HA   ARG  28           HA       ARG  28  13.568  -7.456  -6.698
  243   1HB   ARG  28          2HB       ARG  28  13.622  -5.572  -4.842
  244   2HB   ARG  28          1HB       ARG  28  14.658  -6.722  -3.997
  245   1HG   ARG  28          2HG       ARG  28  16.151  -6.828  -5.954
  246   2HG   ARG  28          1HG       ARG  28  15.113  -5.688  -6.813
  247   1HD   ARG  28          2HD       ARG  28  16.017  -4.808  -4.121
  248   2HD   ARG  28          1HD       ARG  28  17.272  -4.892  -5.374
  249    HE   ARG  28           HE       ARG  28  15.339  -3.644  -6.761
  250   1HH1  ARG  28          1HH2      ARG  28  13.831  -2.922  -4.311
  251   2HH1  ARG  28          2HH2      ARG  28  14.511  -1.388  -3.885
  252   1HH2  ARG  28          1HH1      ARG  28  17.326  -1.784  -5.872
  253   2HH2  ARG  28          2HH1      ARG  28  16.490  -0.742  -4.769
  Start of MODEL   12
    1   1H    GLU   1          1HT       GLU   1 -12.916   7.443   6.348
    2   2H    GLU   1          2HT       GLU   1 -13.110   8.582   5.103
    3   3H    GLU   1          3HT       GLU   1 -11.552   8.096   5.578
    4    HA   GLU   1           HA       GLU   1 -12.089   5.800   4.827
    5   1HB   GLU   1          2HB       GLU   1 -14.586   6.469   5.156
    6   2HB   GLU   1          1HB       GLU   1 -14.463   7.131   3.525
    7   1HG   GLU   1          2HG       GLU   1 -13.400   4.381   3.926
    8   2HG   GLU   1          1HG       GLU   1 -15.153   4.569   3.994
    9    H    GLN   2           HN       GLN   2 -10.144   6.419   3.711
   10    HA   GLN   2           HA       GLN   2 -10.304   8.215   1.374
   11   1HB   GLN   2          2HB       GLN   2  -8.407   7.586   3.251
   12   2HB   GLN   2          1HB       GLN   2  -7.885   6.590   1.892
   13   1HG   GLN   2          2HG       GLN   2  -7.317   8.396   0.612
   14   2HG   GLN   2          1HG       GLN   2  -8.659   9.371   1.209
   15   1HE2  GLN   2          1HE2      GLN   2  -5.522   9.733   1.081
   16   2HE2  GLN   2          2HE2      GLN   2  -5.157  10.321   2.631
   17    H    TYR   3           HN       TYR   3  -8.679   7.055  -0.473
   18    HA   TYR   3           HA       TYR   3 -10.274   5.348  -1.983
   19   1HB   TYR   3          2HB       TYR   3  -8.077   4.773  -3.124
   20   2HB   TYR   3          1HB       TYR   3  -8.448   6.486  -2.963
   21    HD1  TYR   3           1HD      TYR   3  -6.791   7.875  -2.225
   22    HD2  TYR   3           2HD      TYR   3  -6.747   3.765  -0.961
   23    HE1  TYR   3           1HE      TYR   3  -4.678   8.269  -1.010
   24    HE2  TYR   3           2HE      TYR   3  -4.633   4.174   0.243
   25    HH   TYR   3           HH       TYR   3  -2.762   5.707   0.227
   26    H    THR   4           HN       THR   4 -10.070   3.060  -2.515
   27    HA   THR   4           HA       THR   4  -9.300   1.415  -0.135
   28    HB   THR   4           HB       THR   4 -10.882  -0.222  -1.483
   29    HG1  THR   4           1HG      THR   4 -11.323   0.827  -3.292
   30   1HG2  THR   4          1HG2      THR   4 -11.857   2.241  -0.013
   31   2HG2  THR   4          2HG2      THR   4 -11.421   0.692   0.711
   32   3HG2  THR   4          3HG2      THR   4 -12.835   0.809  -0.335
   33    H    ALA   5           HN       ALA   5  -7.256   2.194  -1.961
   34    HA   ALA   5           HA       ALA   5  -6.618   0.526  -4.112
   35   1HB   ALA   5          1HB       ALA   5  -5.392   2.486  -2.660
   36   2HB   ALA   5          2HB       ALA   5  -4.559   1.509  -3.870
   37   3HB   ALA   5          3HB       ALA   5  -4.452   1.073  -2.157
   38    H    LYS   6           HN       LYS   6  -6.101  -1.671  -4.251
   39    HA   LYS   6           HA       LYS   6  -5.513  -3.067  -1.669
   40   1HB   LYS   6          2HB       LYS   6  -6.557  -5.057  -2.801
   41   2HB   LYS   6          1HB       LYS   6  -7.671  -3.731  -2.473
   42   1HG   LYS   6          2HG       LYS   6  -7.952  -3.233  -4.684
   43   2HG   LYS   6          1HG       LYS   6  -6.293  -3.658  -5.099
   44   1HD   LYS   6          2HD       LYS   6  -7.409  -5.432  -6.088
   45   2HD   LYS   6          1HD       LYS   6  -7.130  -6.106  -4.482
   46   1HE   LYS   6          2HE       LYS   6  -9.363  -5.666  -3.787
   47   2HE   LYS   6          1HE       LYS   6  -9.650  -4.558  -5.144
   48   1HZ   LYS   6          1HZ       LYS   6 -10.550  -6.849  -5.479
   49   2HZ   LYS   6          2HZ       LYS   6  -8.951  -7.422  -5.488
   50   3HZ   LYS   6          3HZ       LYS   6  -9.469  -6.338  -6.684
   51    H    TYR   7           HN       TYR   7  -3.747  -4.297  -1.581
   52    HA   TYR   7           HA       TYR   7  -2.191  -4.767  -4.096
   53   1HB   TYR   7          2HB       TYR   7  -1.307  -3.826  -1.359
   54   2HB   TYR   7          1HB       TYR   7  -0.186  -4.427  -2.568
   55    HD1  TYR   7           1HD      TYR   7   0.619  -3.030  -4.206
   56    HD2  TYR   7           2HD      TYR   7  -2.937  -1.991  -2.077
   57    HE1  TYR   7           1HE      TYR   7   0.636  -0.812  -5.293
   58    HE2  TYR   7           2HE      TYR   7  -2.954   0.240  -3.141
   59    HH   TYR   7           HH       TYR   7  -0.255   1.410  -4.967
   60    H    LYS   8           HN       LYS   8  -2.272  -6.936  -4.398
   61    HA   LYS   8           HA       LYS   8  -2.249  -9.255  -3.960
   62   1HB   LYS   8          2HB       LYS   8  -0.574  -8.157  -1.679
   63   2HB   LYS   8          1HB       LYS   8  -0.674  -9.870  -2.087
   64   1HG   LYS   8          2HG       LYS   8   0.194  -7.703  -4.021
   65   2HG   LYS   8          1HG       LYS   8   1.305  -8.734  -3.118
   66   1HD   LYS   8          2HD       LYS   8  -0.297 -10.633  -4.182
   67   2HD   LYS   8          1HD       LYS   8  -0.436  -9.399  -5.435
   68   1HE   LYS   8          2HE       LYS   8   1.508 -10.315  -6.228
   69   2HE   LYS   8          1HE       LYS   8   2.279  -9.389  -4.926
   70   1HZ   LYS   8          1HZ       LYS   8   1.122 -12.100  -4.564
   71   2HZ   LYS   8          2HZ       LYS   8   2.049 -11.220  -3.443
   72   3HZ   LYS   8          3HZ       LYS   8   2.767 -11.818  -4.863
   73    H    GLY   9           HN       GLY   9  -4.344  -7.415  -2.603
   74   1HA   GLY   9          2HA       GLY   9  -6.302  -8.632  -1.585
   75   2HA   GLY   9          1HA       GLY   9  -5.146  -9.352  -0.469
   76    H    ARG  10           HN       ARG  10  -3.759  -7.520   0.684
   77    HA   ARG  10           HA       ARG  10  -5.402  -6.129   2.494
   78   1HB   ARG  10          2HB       ARG  10  -2.567  -5.903   1.553
   79   2HB   ARG  10          1HB       ARG  10  -3.191  -4.721   2.702
   80   1HG   ARG  10          2HG       ARG  10  -3.973  -6.657   4.132
   81   2HG   ARG  10          1HG       ARG  10  -3.082  -7.727   3.050
   82   1HD   ARG  10          2HD       ARG  10  -1.334  -5.569   3.796
   83   2HD   ARG  10          1HD       ARG  10  -2.051  -6.251   5.269
   84    HE   ARG  10           HE       ARG  10  -0.483  -7.792   3.256
   85   1HH1  ARG  10          1HH1      ARG  10  -2.777  -9.263   4.662
   86   2HH1  ARG  10          2HH1      ARG  10  -1.931  -9.998   5.982
   87   1HH2  ARG  10          1HH2      ARG  10   0.879  -7.997   5.643
   88   2HH2  ARG  10          2HH2      ARG  10   0.140  -9.283   6.536
   89    H    THR  11           HN       THR  11  -6.434  -4.149   2.491
   90    HA   THR  11           HA       THR  11  -6.325  -2.521   0.010
   91    HB   THR  11           HB       THR  11  -8.050  -2.284   2.498
   92    HG1  THR  11           1HG      THR  11  -8.528  -3.496  -0.022
   93   1HG2  THR  11          1HG2      THR  11  -9.506  -0.937   0.997
   94   2HG2  THR  11          2HG2      THR  11  -8.298  -1.084  -0.278
   95   3HG2  THR  11          3HG2      THR  11  -7.915  -0.197   1.196
   96    H    PHE  12           HN       PHE  12  -6.073  -0.102   0.299
   97    HA   PHE  12           HA       PHE  12  -4.406   0.584   2.692
   98   1HB   PHE  12          2HB       PHE  12  -3.970   1.109  -0.270
   99   2HB   PHE  12          1HB       PHE  12  -3.094   1.994   0.996
  100    HD1  PHE  12           1HD      PHE  12  -1.266   0.966   2.156
  101    HD2  PHE  12           2HD      PHE  12  -3.917  -1.355  -0.281
  102    HE1  PHE  12           1HE      PHE  12   0.232  -1.000   2.422
  103    HE2  PHE  12           2HE      PHE  12  -2.459  -3.349   0.031
  104    HZ   PHE  12           HZ       PHE  12  -0.373  -3.163   1.364
  105    H    ARG  13           HN       ARG  13  -5.464   2.109   3.835
  106    HA   ARG  13           HA       ARG  13  -7.180   4.102   2.397
  107   1HB   ARG  13          2HB       ARG  13  -8.006   2.383   4.187
  108   2HB   ARG  13          1HB       ARG  13  -7.213   3.453   5.343
  109   1HG   ARG  13          2HG       ARG  13  -8.576   5.331   4.619
  110   2HG   ARG  13          1HG       ARG  13  -9.293   4.358   3.333
  111   1HD   ARG  13          2HD       ARG  13 -10.935   3.925   4.865
  112   2HD   ARG  13          1HD       ARG  13  -9.758   2.802   5.577
  113    HE   ARG  13           HE       ARG  13 -10.144   5.632   6.467
  114   1HH1  ARG  13          1HH1      ARG  13 -11.011   3.441   8.268
  115   2HH1  ARG  13          2HH1      ARG  13  -9.634   3.229   9.297
  116   1HH2  ARG  13          1HH2      ARG  13  -7.465   4.929   7.193
  117   2HH2  ARG  13          2HH2      ARG  13  -7.627   4.071   8.689
  118    H    ASN  14           HN       ASN  14  -4.223   4.239   2.783
  119    HA   ASN  14           HA       ASN  14  -4.081   6.946   3.915
  120   1HB   ASN  14          2HB       ASN  14  -4.009   5.573   5.921
  121   2HB   ASN  14          1HB       ASN  14  -2.774   4.530   5.217
  122   1HD2  ASN  14          1HD2      ASN  14  -3.297   8.010   5.955
  123   2HD2  ASN  14          2HD2      ASN  14  -1.699   8.306   6.446
  124    H    GLU  15           HN       GLU  15  -2.357   8.045   3.011
  125    HA   GLU  15           HA       GLU  15  -0.954   6.904   0.763
  126   1HB   GLU  15          2HB       GLU  15  -1.628   9.373   1.570
  127   2HB   GLU  15          1HB       GLU  15   0.031   9.349   2.168
  128   1HG   GLU  15          2HG       GLU  15   0.941   9.094   0.027
  129   2HG   GLU  15          1HG       GLU  15  -0.558   8.441  -0.637
  130    H    LYS  16           HN       LYS  16  -0.012   7.582   4.130
  131    HA   LYS  16           HA       LYS  16   2.752   7.102   3.981
  132   1HB   LYS  16          2HB       LYS  16   0.952   7.736   5.899
  133   2HB   LYS  16          1HB       LYS  16   1.282   6.056   6.328
  134   1HG   LYS  16          2HG       LYS  16   2.911   7.272   7.531
  135   2HG   LYS  16          1HG       LYS  16   3.781   6.702   6.106
  136   1HD   LYS  16          2HD       LYS  16   3.878   8.803   5.151
  137   2HD   LYS  16          1HD       LYS  16   2.386   9.339   5.924
  138   1HE   LYS  16          2HE       LYS  16   3.563   9.444   8.110
  139   2HE   LYS  16          1HE       LYS  16   5.068   8.960   7.304
  140   1HZ   LYS  16          1HZ       LYS  16   4.812  11.400   7.466
  141   2HZ   LYS  16          2HZ       LYS  16   3.413  11.297   6.512
  142   3HZ   LYS  16          3HZ       LYS  16   4.917  10.853   5.861
  143    H    GLU  17           HN       GLU  17   0.125   4.830   4.489
  144    HA   GLU  17           HA       GLU  17   1.704   2.450   4.807
  145   1HB   GLU  17          2HB       GLU  17  -1.107   2.876   3.733
  146   2HB   GLU  17          1HB       GLU  17  -0.463   1.338   4.307
  147   1HG   GLU  17          2HG       GLU  17  -0.405   3.768   6.086
  148   2HG   GLU  17          1HG       GLU  17  -1.866   2.791   5.953
  149    H    LEU  18           HN       LEU  18  -0.135   3.604   1.968
  150    HA   LEU  18           HA       LEU  18   0.816   1.707   0.086
  151   1HB   LEU  18          2HB       LEU  18  -0.992   3.730   0.141
  152   2HB   LEU  18          1HB       LEU  18   0.287   4.514  -0.782
  153    HG   LEU  18           HG       LEU  18   0.260   2.704  -2.421
  154   1HD1  LEU  18          1HD1      LEU  18  -1.034   1.267  -0.326
  155   2HD1  LEU  18          2HD1      LEU  18  -0.543   0.643  -1.891
  156   3HD1  LEU  18          3HD1      LEU  18  -2.155   1.324  -1.674
  157   1HD2  LEU  18          1HD2      LEU  18  -2.312   4.075  -1.711
  158   2HD2  LEU  18          2HD2      LEU  18  -2.279   2.942  -3.062
  159   3HD2  LEU  18          3HD2      LEU  18  -1.238   4.366  -3.078
  160    H    ARG  19           HN       ARG  19   2.058   4.984   0.803
  161    HA   ARG  19           HA       ARG  19   4.215   4.977  -1.063
  162   1HB   ARG  19          2HB       ARG  19   3.668   6.320   1.583
  163   2HB   ARG  19          1HB       ARG  19   5.152   6.643   0.685
  164   1HG   ARG  19          2HG       ARG  19   2.581   6.780  -0.822
  165   2HG   ARG  19          1HG       ARG  19   2.939   8.095   0.297
  166   1HD   ARG  19          2HD       ARG  19   4.973   8.647  -0.842
  167   2HD   ARG  19          1HD       ARG  19   4.932   7.141  -1.780
  168    HE   ARG  19           HE       ARG  19   2.908   8.013  -2.928
  169   1HH1  ARG  19          1HH1      ARG  19   5.300   9.985  -3.195
  170   2HH1  ARG  19          2HH1      ARG  19   4.469  11.493  -3.001
  171   1HH2  ARG  19          1HH2      ARG  19   1.587  10.048  -1.728
  172   2HH2  ARG  19          2HH2      ARG  19   2.370  11.528  -2.171
  173    H    ASP  20           HN       ASP  20   3.819   3.274   1.951
  174    HA   ASP  20           HA       ASP  20   6.739   2.705   2.138
  175   1HB   ASP  20          2HB       ASP  20   5.218   3.490   4.065
  176   2HB   ASP  20          1HB       ASP  20   4.528   1.868   4.022
  177    H    PHE  21           HN       PHE  21   3.600   1.123   1.607
  178    HA   PHE  21           HA       PHE  21   4.508  -1.604   1.758
  179   1HB   PHE  21          2HB       PHE  21   2.158  -0.892   1.846
  180   2HB   PHE  21          1HB       PHE  21   2.227  -0.363   0.178
  181    HD1  PHE  21           1HD      PHE  21   2.139  -1.944  -1.649
  182    HD2  PHE  21           2HD      PHE  21   2.583  -3.260   2.408
  183    HE1  PHE  21           1HE      PHE  21   1.763  -4.289  -2.371
  184    HE2  PHE  21           2HE      PHE  21   2.183  -5.613   1.697
  185    HZ   PHE  21           HZ       PHE  21   1.779  -6.123  -0.699
  186    H    ILE  22           HN       ILE  22   3.450  -0.009  -1.245
  187    HA   ILE  22           HA       ILE  22   4.646  -1.699  -3.111
  188    HB   ILE  22           HB       ILE  22   4.176   1.300  -3.182
  189   1HG1  ILE  22          2HG1      ILE  22   2.269  -0.007  -4.712
  190   2HG1  ILE  22          1HG1      ILE  22   2.498  -1.110  -3.361
  191   1HG2  ILE  22          1HG2      ILE  22   4.227   1.107  -5.600
  192   2HG2  ILE  22          2HG2      ILE  22   4.445  -0.640  -5.493
  193   3HG2  ILE  22          3HG2      ILE  22   5.737   0.444  -4.977
  194   1HD1  ILE  22          1HD1      ILE  22   1.557   0.315  -1.872
  195   2HD1  ILE  22          2HD1      ILE  22   0.828   1.031  -3.309
  196   3HD1  ILE  22          3HD1      ILE  22   2.290   1.737  -2.621
  197    H    GLU  23           HN       GLU  23   6.093   0.932  -1.277
  198    HA   GLU  23           HA       GLU  23   8.606   1.067  -2.721
  199   1HB   GLU  23          2HB       GLU  23   7.337   2.139  -0.293
  200   2HB   GLU  23          1HB       GLU  23   9.073   1.892  -0.106
  201   1HG   GLU  23          2HG       GLU  23   7.964   3.273  -2.546
  202   2HG   GLU  23          1HG       GLU  23   8.270   4.168  -1.058
  203    H    LYS  24           HN       LYS  24   7.400  -0.812   0.023
  204    HA   LYS  24           HA       LYS  24  10.003  -2.058   0.578
  205   1HB   LYS  24          2HB       LYS  24   7.235  -2.010   1.652
  206   2HB   LYS  24          1HB       LYS  24   8.126  -3.508   1.923
  207   1HG   LYS  24          2HG       LYS  24  10.052  -2.025   2.753
  208   2HG   LYS  24          1HG       LYS  24   8.874  -0.712   2.793
  209   1HD   LYS  24          2HD       LYS  24   8.759  -1.586   4.974
  210   2HD   LYS  24          1HD       LYS  24   7.410  -2.377   4.160
  211   1HE   LYS  24          2HE       LYS  24   8.380  -4.440   4.309
  212   2HE   LYS  24          1HE       LYS  24   9.992  -3.808   3.920
  213   1HZ   LYS  24          1HZ       LYS  24   8.583  -3.378   6.503
  214   2HZ   LYS  24          2HZ       LYS  24  10.163  -2.883   6.117
  215   3HZ   LYS  24          3HZ       LYS  24   9.803  -4.535   6.254
  216    H    PHE  25           HN       PHE  25   6.821  -3.221  -0.612
  217    HA   PHE  25           HA       PHE  25   7.980  -5.744  -1.507
  218   1HB   PHE  25          2HB       PHE  25   5.737  -5.532  -0.468
  219   2HB   PHE  25          1HB       PHE  25   5.222  -4.531  -1.827
  220    HD1  PHE  25           1HD      PHE  25   3.853  -5.675  -3.297
  221    HD2  PHE  25           2HD      PHE  25   7.155  -7.735  -1.489
  222    HE1  PHE  25           1HE      PHE  25   3.291  -7.710  -4.597
  223    HE2  PHE  25           2HE      PHE  25   6.596  -9.776  -2.787
  224    HZ   PHE  25           HZ       PHE  25   4.663  -9.763  -4.341
  225    H    LYS  26           HN       LYS  26   9.370  -3.892  -2.889
  226    HA   LYS  26           HA       LYS  26   8.213  -2.908  -5.316
  227   1HB   LYS  26          2HB       LYS  26  10.888  -3.307  -4.109
  228   2HB   LYS  26          1HB       LYS  26  10.863  -3.169  -5.867
  229   1HG   LYS  26          2HG       LYS  26   9.209  -1.134  -5.268
  230   2HG   LYS  26          1HG       LYS  26  10.185  -1.139  -3.798
  231   1HD   LYS  26          2HD       LYS  26  11.480  -1.234  -6.519
  232   2HD   LYS  26          1HD       LYS  26  11.014   0.302  -5.786
  233   1HE   LYS  26          2HE       LYS  26  12.337  -0.414  -3.722
  234   2HE   LYS  26          1HE       LYS  26  12.988  -1.735  -4.714
  235   1HZ   LYS  26          1HZ       LYS  26  14.408   0.196  -4.903
  236   2HZ   LYS  26          2HZ       LYS  26  13.093   1.165  -5.360
  237   3HZ   LYS  26          3HZ       LYS  26  13.626  -0.079  -6.386
  238    H    GLY  27           HN       GLY  27   9.364  -6.051  -4.424
  239   1HA   GLY  27          2HA       GLY  27   8.478  -7.902  -5.903
  240   2HA   GLY  27          1HA       GLY  27   9.072  -6.948  -7.264
  241    H    ARG  28           HN       ARG  28  10.269  -8.391  -4.218
  242    HA   ARG  28           HA       ARG  28  12.800  -9.100  -5.672
  243   1HB   ARG  28          2HB       ARG  28  12.520  -7.244  -3.695
  244   2HB   ARG  28          1HB       ARG  28  12.842  -8.687  -2.733
  245   1HG   ARG  28          2HG       ARG  28  14.984  -8.908  -3.527
  246   2HG   ARG  28          1HG       ARG  28  14.572  -8.268  -5.117
  247   1HD   ARG  28          2HD       ARG  28  14.669  -6.012  -4.361
  248   2HD   ARG  28          1HD       ARG  28  14.620  -6.503  -2.656
  249    HE   ARG  28           HE       ARG  28  16.931  -7.106  -4.468
  250   1HH1  ARG  28          1HH2      ARG  28  17.323  -4.793  -2.699
  251   2HH1  ARG  28          2HH2      ARG  28  18.029  -5.493  -1.282
  252   1HH2  ARG  28          1HH1      ARG  28  17.065  -8.727  -2.076
  253   2HH2  ARG  28          2HH1      ARG  28  17.883  -7.721  -0.929
  Start of MODEL   13
    1   1H    GLU   1          1HT       GLU   1 -12.810   8.944   5.091
    2   2H    GLU   1          2HT       GLU   1 -12.033   7.451   5.329
    3   3H    GLU   1          3HT       GLU   1 -13.640   7.668   5.839
    4    HA   GLU   1           HA       GLU   1 -13.649   6.392   3.807
    5   1HB   GLU   1          2HB       GLU   1 -15.160   8.509   4.467
    6   2HB   GLU   1          1HB       GLU   1 -14.469   9.142   2.973
    7   1HG   GLU   1          2HG       GLU   1 -15.127   6.700   2.092
    8   2HG   GLU   1          1HG       GLU   1 -16.327   6.844   3.376
    9    H    GLN   2           HN       GLN   2 -11.226   6.244   3.308
   10    HA   GLN   2           HA       GLN   2 -10.393   8.162   1.164
   11   1HB   GLN   2          2HB       GLN   2  -9.147   7.292   3.473
   12   2HB   GLN   2          1HB       GLN   2  -8.440   6.236   2.251
   13   1HG   GLN   2          2HG       GLN   2  -7.008   8.007   1.987
   14   2HG   GLN   2          1HG       GLN   2  -8.297   8.590   0.934
   15   1HE2  GLN   2          1HE2      GLN   2 -10.220   9.501   2.711
   16   2HE2  GLN   2          2HE2      GLN   2  -9.586  10.736   3.688
   17    H    TYR   3           HN       TYR   3  -8.906   6.980  -0.519
   18    HA   TYR   3           HA       TYR   3 -10.397   5.145  -2.032
   19   1HB   TYR   3          2HB       TYR   3  -8.185   4.766  -3.193
   20   2HB   TYR   3          1HB       TYR   3  -8.642   6.455  -2.991
   21    HD1  TYR   3           1HD      TYR   3  -7.124   7.934  -2.082
   22    HD2  TYR   3           2HD      TYR   3  -6.746   3.751  -1.199
   23    HE1  TYR   3           1HE      TYR   3  -5.041   8.385  -0.834
   24    HE2  TYR   3           2HE      TYR   3  -4.667   4.205   0.042
   25    HH   TYR   3           HH       TYR   3  -2.808   6.345  -0.186
   26    H    THR   4           HN       THR   4 -10.200   2.877  -2.400
   27    HA   THR   4           HA       THR   4  -9.107   1.352  -0.063
   28    HB   THR   4           HB       THR   4 -10.783  -0.374  -1.011
   29    HG1  THR   4           1HG      THR   4 -10.946   0.740  -3.040
   30   1HG2  THR   4          1HG2      THR   4 -11.137   1.913   0.664
   31   2HG2  THR   4          2HG2      THR   4 -12.031   0.393   0.692
   32   3HG2  THR   4          3HG2      THR   4 -12.594   1.728  -0.312
   33    H    ALA   5           HN       ALA   5  -7.301   2.118  -2.123
   34    HA   ALA   5           HA       ALA   5  -6.919   0.345  -4.272
   35   1HB   ALA   5          1HB       ALA   5  -5.630   2.491  -3.208
   36   2HB   ALA   5          2HB       ALA   5  -4.921   1.451  -4.445
   37   3HB   ALA   5          3HB       ALA   5  -4.519   1.193  -2.741
   38    H    LYS   6           HN       LYS   6  -6.391  -1.818  -4.321
   39    HA   LYS   6           HA       LYS   6  -5.224  -3.008  -1.827
   40   1HB   LYS   6          2HB       LYS   6  -7.570  -3.653  -2.831
   41   2HB   LYS   6          1HB       LYS   6  -6.593  -4.607  -3.954
   42   1HG   LYS   6          2HG       LYS   6  -5.827  -6.025  -2.302
   43   2HG   LYS   6          1HG       LYS   6  -5.983  -4.804  -1.040
   44   1HD   LYS   6          2HD       LYS   6  -8.298  -5.132  -0.826
   45   2HD   LYS   6          1HD       LYS   6  -8.430  -5.892  -2.413
   46   1HE   LYS   6          2HE       LYS   6  -7.233  -7.875  -1.608
   47   2HE   LYS   6          1HE       LYS   6  -6.997  -7.108  -0.023
   48   1HZ   LYS   6          1HZ       LYS   6  -9.367  -6.929   0.245
   49   2HZ   LYS   6          2HZ       LYS   6  -8.978  -8.550  -0.081
   50   3HZ   LYS   6          3HZ       LYS   6  -9.640  -7.569  -1.301
   51    H    TYR   7           HN       TYR   7  -3.787  -4.916  -2.360
   52    HA   TYR   7           HA       TYR   7  -2.345  -4.576  -4.962
   53   1HB   TYR   7          2HB       TYR   7  -1.349  -4.295  -2.127
   54   2HB   TYR   7          1HB       TYR   7  -0.239  -4.729  -3.426
   55    HD1  TYR   7           1HD      TYR   7   0.530  -3.116  -4.974
   56    HD2  TYR   7           2HD      TYR   7  -2.711  -2.173  -2.331
   57    HE1  TYR   7           1HE      TYR   7   0.675  -0.740  -5.651
   58    HE2  TYR   7           2HE      TYR   7  -2.598   0.204  -3.012
   59    HH   TYR   7           HH       TYR   7  -1.562   1.360  -5.445
   60    H    LYS   8           HN       LYS   8  -1.991  -6.435  -1.923
   61    HA   LYS   8           HA       LYS   8  -2.200  -8.972  -3.497
   62   1HB   LYS   8          2HB       LYS   8   0.187  -8.106  -2.978
   63   2HB   LYS   8          1HB       LYS   8  -0.175  -8.502  -1.298
   64   1HG   LYS   8          2HG       LYS   8   0.873 -10.450  -2.162
   65   2HG   LYS   8          1HG       LYS   8  -0.850 -10.828  -2.168
   66   1HD   LYS   8          2HD       LYS   8  -1.026 -10.371  -4.522
   67   2HD   LYS   8          1HD       LYS   8   0.604  -9.697  -4.570
   68   1HE   LYS   8          2HE       LYS   8   1.203 -11.803  -5.246
   69   2HE   LYS   8          1HE       LYS   8   1.063 -12.210  -3.524
   70   1HZ   LYS   8          1HZ       LYS   8  -1.305 -12.643  -3.876
   71   2HZ   LYS   8          2HZ       LYS   8  -0.342 -13.667  -4.830
   72   3HZ   LYS   8          3HZ       LYS   8  -1.121 -12.337  -5.537
   73    H    GLY   9           HN       GLY   9  -4.250  -7.795  -1.967
   74   1HA   GLY   9          2HA       GLY   9  -5.848  -8.882  -0.514
   75   2HA   GLY   9          1HA       GLY   9  -4.521  -9.786   0.222
   76    H    ARG  10           HN       ARG  10  -4.298  -6.336  -0.384
   77    HA   ARG  10           HA       ARG  10  -4.830  -5.704   2.480
   78   1HB   ARG  10          2HB       ARG  10  -2.250  -5.108   0.981
   79   2HB   ARG  10          1HB       ARG  10  -2.607  -4.645   2.647
   80   1HG   ARG  10          2HG       ARG  10  -2.924  -7.101   3.173
   81   2HG   ARG  10          1HG       ARG  10  -2.304  -7.457   1.560
   82   1HD   ARG  10          2HD       ARG  10  -0.181  -7.248   2.316
   83   2HD   ARG  10          1HD       ARG  10  -0.519  -5.590   2.854
   84    HE   ARG  10           HE       ARG  10  -1.092  -8.020   4.512
   85   1HH1  ARG  10          1HH1      ARG  10  -1.803  -4.785   4.473
   86   2HH1  ARG  10          2HH1      ARG  10  -1.062  -4.403   5.991
   87   1HH2  ARG  10          1HH2      ARG  10   0.484  -7.489   6.317
   88   2HH2  ARG  10          2HH2      ARG  10   0.234  -5.933   7.034
   89    H    THR  11           HN       THR  11  -6.507  -4.215   1.940
   90    HA   THR  11           HA       THR  11  -6.278  -2.334  -0.262
   91    HB   THR  11           HB       THR  11  -8.029  -2.281   2.221
   92    HG1  THR  11           1HG      THR  11  -9.504  -3.356   0.821
   93   1HG2  THR  11          1HG2      THR  11  -9.030  -0.475   1.315
   94   2HG2  THR  11          2HG2      THR  11  -9.180  -1.279  -0.246
   95   3HG2  THR  11          3HG2      THR  11  -7.705  -0.396   0.151
   96    H    PHE  12           HN       PHE  12  -5.786  -0.036  -0.056
   97    HA   PHE  12           HA       PHE  12  -4.362   0.698   2.479
   98   1HB   PHE  12          2HB       PHE  12  -3.879   1.347  -0.448
   99   2HB   PHE  12          1HB       PHE  12  -3.075   2.221   0.868
  100    HD1  PHE  12           1HD      PHE  12  -1.461   1.094   2.339
  101    HD2  PHE  12           2HD      PHE  12  -3.433  -0.963  -0.880
  102    HE1  PHE  12           1HE      PHE  12   0.156  -0.783   2.546
  103    HE2  PHE  12           2HE      PHE  12  -1.832  -2.864  -0.643
  104    HZ   PHE  12           HZ       PHE  12  -0.040  -2.758   1.062
  105    H    ARG  13           HN       ARG  13  -5.299   2.322   3.597
  106    HA   ARG  13           HA       ARG  13  -7.104   4.226   2.142
  107   1HB   ARG  13          2HB       ARG  13  -8.317   4.341   4.316
  108   2HB   ARG  13          1HB       ARG  13  -8.269   2.699   3.683
  109   1HG   ARG  13          2HG       ARG  13  -7.048   1.943   5.436
  110   2HG   ARG  13          1HG       ARG  13  -5.953   3.324   5.375
  111   1HD   ARG  13          2HD       ARG  13  -8.143   4.576   6.333
  112   2HD   ARG  13          1HD       ARG  13  -8.429   2.951   6.989
  113    HE   ARG  13           HE       ARG  13  -5.721   4.114   7.301
  114   1HH1  ARG  13          1HH1      ARG  13  -7.418   1.752   8.648
  115   2HH1  ARG  13          2HH1      ARG  13  -7.460   2.366  10.267
  116   1HH2  ARG  13          1HH2      ARG  13  -6.342   5.526   9.381
  117   2HH2  ARG  13          2HH2      ARG  13  -6.853   4.502  10.682
  118    H    ASN  14           HN       ASN  14  -4.201   4.454   2.545
  119    HA   ASN  14           HA       ASN  14  -4.087   7.163   3.615
  120   1HB   ASN  14          2HB       ASN  14  -4.158   5.402   5.569
  121   2HB   ASN  14          1HB       ASN  14  -2.476   5.116   5.127
  122   1HD2  ASN  14          1HD2      ASN  14  -0.922   6.755   5.630
  123   2HD2  ASN  14          2HD2      ASN  14  -1.314   8.153   6.506
  124    H    GLU  15           HN       GLU  15  -2.490   8.147   2.443
  125    HA   GLU  15           HA       GLU  15  -0.867   6.821   0.530
  126   1HB   GLU  15          2HB       GLU  15  -1.554   9.379   1.150
  127   2HB   GLU  15          1HB       GLU  15   0.125   9.364   1.694
  128   1HG   GLU  15          2HG       GLU  15   0.674   8.299  -0.585
  129   2HG   GLU  15          1HG       GLU  15  -0.947   8.797  -1.073
  130    H    LYS  16           HN       LYS  16  -0.003   7.977   3.805
  131    HA   LYS  16           HA       LYS  16   2.735   7.371   3.811
  132   1HB   LYS  16          2HB       LYS  16   1.107   8.488   5.536
  133   2HB   LYS  16          1HB       LYS  16   0.988   6.854   6.190
  134   1HG   LYS  16          2HG       LYS  16   3.442   6.765   6.427
  135   2HG   LYS  16          1HG       LYS  16   3.566   8.399   5.775
  136   1HD   LYS  16          2HD       LYS  16   1.854   7.802   8.187
  137   2HD   LYS  16          1HD       LYS  16   3.576   8.145   8.348
  138   1HE   LYS  16          2HE       LYS  16   3.316  10.366   7.815
  139   2HE   LYS  16          1HE       LYS  16   2.015  10.036   6.653
  140   1HZ   LYS  16          1HZ       LYS  16   1.797   9.866   9.613
  141   2HZ   LYS  16          2HZ       LYS  16   0.561   9.473   8.515
  142   3HZ   LYS  16          3HZ       LYS  16   1.117  11.074   8.637
  143    H    GLU  17           HN       GLU  17   0.011   5.286   4.531
  144    HA   GLU  17           HA       GLU  17   1.448   2.952   5.368
  145   1HB   GLU  17          2HB       GLU  17  -1.266   3.702   4.430
  146   2HB   GLU  17          1HB       GLU  17  -0.854   2.003   4.224
  147   1HG   GLU  17          2HG       GLU  17  -0.675   3.553   6.820
  148   2HG   GLU  17          1HG       GLU  17  -1.934   2.397   6.389
  149    H    LEU  18           HN       LEU  18  -0.322   3.274   2.302
  150    HA   LEU  18           HA       LEU  18   0.850   1.127   0.962
  151   1HB   LEU  18          2HB       LEU  18  -1.154   2.321   0.238
  152   2HB   LEU  18          1HB       LEU  18  -0.199   3.763  -0.105
  153    HG   LEU  18           HG       LEU  18   1.069   2.509  -1.818
  154   1HD1  LEU  18          1HD1      LEU  18   0.725   0.253  -0.718
  155   2HD1  LEU  18          2HD1      LEU  18   0.449   0.262  -2.450
  156   3HD1  LEU  18          3HD1      LEU  18  -0.917   0.269  -1.342
  157   1HD2  LEU  18          1HD2      LEU  18  -1.434   3.566  -2.045
  158   2HD2  LEU  18          2HD2      LEU  18  -1.724   1.923  -2.615
  159   3HD2  LEU  18          3HD2      LEU  18  -0.515   2.930  -3.408
  160    H    ARG  19           HN       ARG  19   1.997   4.543   0.942
  161    HA   ARG  19           HA       ARG  19   4.077   4.242  -0.962
  162   1HB   ARG  19          2HB       ARG  19   3.747   5.925   1.539
  163   2HB   ARG  19          1HB       ARG  19   5.139   6.112   0.473
  164   1HG   ARG  19          2HG       ARG  19   3.637   6.556  -1.429
  165   2HG   ARG  19          1HG       ARG  19   2.238   6.362  -0.372
  166   1HD   ARG  19          2HD       ARG  19   2.760   8.755  -0.635
  167   2HD   ARG  19          1HD       ARG  19   3.096   8.257   1.035
  168    HE   ARG  19           HE       ARG  19   5.490   8.113   0.430
  169   1HH1  ARG  19          1HH1      ARG  19   3.753  10.640  -0.760
  170   2HH1  ARG  19          2HH1      ARG  19   4.809  11.016  -2.081
  171   1HH2  ARG  19          1HH2      ARG  19   6.692   8.125  -1.746
  172   2HH2  ARG  19          2HH2      ARG  19   6.472   9.593  -2.639
  173    H    ASP  20           HN       ASP  20   3.916   3.278   2.426
  174    HA   ASP  20           HA       ASP  20   6.747   2.546   2.651
  175   1HB   ASP  20          2HB       ASP  20   4.258   2.536   4.262
  176   2HB   ASP  20          1HB       ASP  20   5.355   1.199   4.619
  177    H    PHE  21           HN       PHE  21   3.659   0.984   1.988
  178    HA   PHE  21           HA       PHE  21   4.506  -1.773   1.848
  179   1HB   PHE  21          2HB       PHE  21   2.177  -1.103   1.977
  180   2HB   PHE  21          1HB       PHE  21   2.304  -0.154   0.512
  181    HD1  PHE  21           1HD      PHE  21   2.071  -1.148  -1.658
  182    HD2  PHE  21           2HD      PHE  21   2.552  -3.557   1.873
  183    HE1  PHE  21           1HE      PHE  21   1.562  -3.202  -2.971
  184    HE2  PHE  21           2HE      PHE  21   2.025  -5.608   0.558
  185    HZ   PHE  21           HZ       PHE  21   1.535  -5.423  -1.868
  186    H    ILE  22           HN       ILE  22   3.706   0.487  -0.722
  187    HA   ILE  22           HA       ILE  22   4.527  -0.816  -3.031
  188    HB   ILE  22           HB       ILE  22   4.743   2.103  -2.215
  189   1HG1  ILE  22          2HG1      ILE  22   2.484   1.027  -2.029
  190   2HG1  ILE  22          1HG1      ILE  22   2.532   2.286  -3.258
  191   1HG2  ILE  22          1HG2      ILE  22   4.666   2.608  -4.620
  192   2HG2  ILE  22          2HG2      ILE  22   4.669   0.882  -4.984
  193   3HG2  ILE  22          3HG2      ILE  22   6.086   1.628  -4.245
  194   1HD1  ILE  22          1HD1      ILE  22   1.915  -0.520  -3.534
  195   2HD1  ILE  22          2HD1      ILE  22   3.277  -0.097  -4.567
  196   3HD1  ILE  22          3HD1      ILE  22   1.753   0.775  -4.718
  197    H    GLU  23           HN       GLU  23   6.527   0.797  -0.628
  198    HA   GLU  23           HA       GLU  23   8.998   0.819  -2.157
  199   1HB   GLU  23          2HB       GLU  23   8.016   1.402   0.563
  200   2HB   GLU  23          1HB       GLU  23   9.682   0.825   0.521
  201   1HG   GLU  23          2HG       GLU  23   9.405   2.696  -1.611
  202   2HG   GLU  23          1HG       GLU  23   8.662   3.427  -0.190
  203    H    LYS  24           HN       LYS  24   7.819  -1.284   0.501
  204    HA   LYS  24           HA       LYS  24  10.003  -3.168   0.324
  205   1HB   LYS  24          2HB       LYS  24   7.164  -3.395   1.389
  206   2HB   LYS  24          1HB       LYS  24   8.460  -4.541   1.734
  207   1HG   LYS  24          2HG       LYS  24   9.637  -3.024   3.055
  208   2HG   LYS  24          1HG       LYS  24   8.904  -1.622   2.273
  209   1HD   LYS  24          2HD       LYS  24   6.690  -2.803   3.326
  210   2HD   LYS  24          1HD       LYS  24   7.898  -3.272   4.520
  211   1HE   LYS  24          2HE       LYS  24   8.454  -0.566   4.016
  212   2HE   LYS  24          1HE       LYS  24   6.683  -0.659   4.082
  213   1HZ   LYS  24          1HZ       LYS  24   7.499  -0.448   6.308
  214   2HZ   LYS  24          2HZ       LYS  24   8.601  -1.718   6.088
  215   3HZ   LYS  24          3HZ       LYS  24   6.933  -2.038   6.108
  216    H    PHE  25           HN       PHE  25   6.619  -3.314  -0.822
  217    HA   PHE  25           HA       PHE  25   7.158  -5.701  -2.413
  218   1HB   PHE  25          2HB       PHE  25   5.072  -5.197  -1.053
  219   2HB   PHE  25          1HB       PHE  25   4.674  -3.980  -2.264
  220    HD1  PHE  25           1HD      PHE  25   2.927  -4.757  -3.571
  221    HD2  PHE  25           2HD      PHE  25   6.119  -7.439  -2.549
  222    HE1  PHE  25           1HE      PHE  25   1.920  -6.505  -5.017
  223    HE2  PHE  25           2HE      PHE  25   5.115  -9.189  -3.992
  224    HZ   PHE  25           HZ       PHE  25   3.015  -8.721  -5.226
  225    H    LYS  26           HN       LYS  26   8.848  -4.030  -3.525
  226    HA   LYS  26           HA       LYS  26   7.980  -2.074  -5.378
  227   1HB   LYS  26          2HB       LYS  26  10.315  -4.001  -5.408
  228   2HB   LYS  26          1HB       LYS  26  10.185  -2.599  -6.471
  229   1HG   LYS  26          2HG       LYS  26   9.760  -1.323  -4.184
  230   2HG   LYS  26          1HG       LYS  26  10.636  -2.699  -3.514
  231   1HD   LYS  26          2HD       LYS  26  12.539  -2.272  -4.941
  232   2HD   LYS  26          1HD       LYS  26  11.654  -1.029  -5.828
  233   1HE   LYS  26          2HE       LYS  26  11.796  -0.630  -2.887
  234   2HE   LYS  26          1HE       LYS  26  13.324  -0.442  -3.770
  235   1HZ   LYS  26          1HZ       LYS  26  12.202   1.004  -5.346
  236   2HZ   LYS  26          2HZ       LYS  26  12.054   1.627  -3.772
  237   3HZ   LYS  26          3HZ       LYS  26  10.740   0.837  -4.495
  238    H    GLY  27           HN       GLY  27   7.672  -5.516  -5.548
  239   1HA   GLY  27          2HA       GLY  27   7.681  -5.990  -8.330
  240   2HA   GLY  27          1HA       GLY  27   6.716  -6.907  -7.174
  241    H    ARG  28           HN       ARG  28   4.567  -6.086  -6.646
  242    HA   ARG  28           HA       ARG  28   3.405  -4.449  -8.871
  243   1HB   ARG  28          2HB       ARG  28   2.793  -6.911  -8.478
  244   2HB   ARG  28          1HB       ARG  28   1.989  -6.365  -7.005
  245   1HG   ARG  28          2HG       ARG  28   0.347  -5.213  -8.161
  246   2HG   ARG  28          1HG       ARG  28   1.379  -4.943  -9.567
  247   1HD   ARG  28          2HD       ARG  28   0.991  -7.083 -10.430
  248   2HD   ARG  28          1HD       ARG  28   0.556  -7.747  -8.842
  249    HE   ARG  28           HE       ARG  28  -1.426  -5.985  -9.083
  250   1HH1  ARG  28          1HH1      ARG  28  -0.050  -6.520 -12.035
  251   2HH1  ARG  28          2HH1      ARG  28  -1.437  -7.245 -12.777
  252   1HH2  ARG  28          1HH2      ARG  28  -3.204  -7.538  -9.809
  253   2HH2  ARG  28          2HH2      ARG  28  -3.221  -7.822 -11.518
  Start of MODEL   14
    1   1H    GLU   1          1HT       GLU   1  -9.954   6.959   7.018
    2   2H    GLU   1          2HT       GLU   1 -11.329   6.932   8.017
    3   3H    GLU   1          3HT       GLU   1 -10.764   8.404   7.383
    4    HA   GLU   1           HA       GLU   1 -12.032   6.168   5.889
    5   1HB   GLU   1          2HB       GLU   1 -13.248   7.991   7.318
    6   2HB   GLU   1          1HB       GLU   1 -12.791   9.082   6.008
    7   1HG   GLU   1          2HG       GLU   1 -14.841   8.351   5.216
    8   2HG   GLU   1          1HG       GLU   1 -13.786   7.131   4.501
    9    H    GLN   2           HN       GLN   2 -10.757   5.839   4.087
   10    HA   GLN   2           HA       GLN   2 -10.190   8.181   2.343
   11   1HB   GLN   2          2HB       GLN   2  -8.307   7.260   4.094
   12   2HB   GLN   2          1HB       GLN   2  -7.960   6.255   2.686
   13   1HG   GLN   2          2HG       GLN   2  -7.484   8.110   1.321
   14   2HG   GLN   2          1HG       GLN   2  -8.341   9.228   2.383
   15   1HE2  GLN   2          1HE2      GLN   2  -7.310   9.295   4.734
   16   2HE2  GLN   2          2HE2      GLN   2  -5.613   9.330   4.786
   17    H    TYR   3           HN       TYR   3  -8.919   7.086   0.286
   18    HA   TYR   3           HA       TYR   3 -10.765   5.491  -1.105
   19   1HB   TYR   3          2HB       TYR   3  -8.803   5.079  -2.636
   20   2HB   TYR   3          1HB       TYR   3  -9.076   6.770  -2.222
   21    HD1  TYR   3           1HD      TYR   3  -7.311   8.041  -1.455
   22    HD2  TYR   3           2HD      TYR   3  -7.163   3.775  -0.989
   23    HE1  TYR   3           1HE      TYR   3  -5.026   8.218  -0.534
   24    HE2  TYR   3           2HE      TYR   3  -4.885   3.957  -0.074
   25    HH   TYR   3           HH       TYR   3  -2.927   5.747  -0.338
   26    H    THR   4           HN       THR   4  -9.981   3.245  -2.110
   27    HA   THR   4           HA       THR   4  -8.970   1.488   0.095
   28    HB   THR   4           HB       THR   4 -10.819  -0.103  -0.697
   29    HG1  THR   4           1HG      THR   4 -11.841   0.574  -2.383
   30   1HG2  THR   4          1HG2      THR   4 -10.987   1.155   1.399
   31   2HG2  THR   4          2HG2      THR   4 -12.559   1.096   0.602
   32   3HG2  THR   4          3HG2      THR   4 -11.585   2.564   0.522
   33    H    ALA   5           HN       ALA   5  -7.054   1.908  -1.536
   34    HA   ALA   5           HA       ALA   5  -7.097   0.527  -4.078
   35   1HB   ALA   5          1HB       ALA   5  -5.632   2.503  -3.112
   36   2HB   ALA   5          2HB       ALA   5  -4.919   1.359  -4.251
   37   3HB   ALA   5          3HB       ALA   5  -4.622   1.180  -2.518
   38    H    LYS   6           HN       LYS   6  -6.683  -1.666  -4.375
   39    HA   LYS   6           HA       LYS   6  -5.618  -3.181  -2.014
   40   1HB   LYS   6          2HB       LYS   6  -6.785  -5.117  -3.097
   41   2HB   LYS   6          1HB       LYS   6  -7.880  -3.805  -2.664
   42   1HG   LYS   6          2HG       LYS   6  -8.092  -3.083  -4.896
   43   2HG   LYS   6          1HG       LYS   6  -6.648  -3.955  -5.409
   44   1HD   LYS   6          2HD       LYS   6  -7.756  -5.954  -5.597
   45   2HD   LYS   6          1HD       LYS   6  -8.826  -5.604  -4.239
   46   1HE   LYS   6          2HE       LYS   6 -10.187  -4.127  -5.612
   47   2HE   LYS   6          1HE       LYS   6  -9.048  -4.278  -6.965
   48   1HZ   LYS   6          1HZ       LYS   6 -10.421  -6.579  -5.683
   49   2HZ   LYS   6          2HZ       LYS   6  -9.463  -6.611  -7.086
   50   3HZ   LYS   6          3HZ       LYS   6 -10.967  -5.828  -7.106
   51    H    TYR   7           HN       TYR   7  -3.887  -4.602  -2.336
   52    HA   TYR   7           HA       TYR   7  -2.581  -4.513  -5.037
   53   1HB   TYR   7          2HB       TYR   7  -1.519  -4.191  -2.229
   54   2HB   TYR   7          1HB       TYR   7  -0.452  -4.602  -3.575
   55    HD1  TYR   7           1HD      TYR   7   0.386  -2.920  -4.946
   56    HD2  TYR   7           2HD      TYR   7  -3.103  -2.175  -2.579
   57    HE1  TYR   7           1HE      TYR   7   0.436  -0.548  -5.643
   58    HE2  TYR   7           2HE      TYR   7  -3.085   0.204  -3.274
   59    HH   TYR   7           HH       TYR   7  -2.210   1.558  -5.146
   60    H    LYS   8           HN       LYS   8  -1.727  -6.254  -2.050
   61    HA   LYS   8           HA       LYS   8  -2.058  -8.845  -3.534
   62   1HB   LYS   8          2HB       LYS   8   0.022  -7.674  -1.729
   63   2HB   LYS   8          1HB       LYS   8  -0.252  -9.414  -1.632
   64   1HG   LYS   8          2HG       LYS   8   0.038  -8.151  -4.334
   65   2HG   LYS   8          1HG       LYS   8   1.487  -8.434  -3.369
   66   1HD   LYS   8          2HD       LYS   8   0.328 -10.826  -3.040
   67   2HD   LYS   8          1HD       LYS   8  -0.386 -10.403  -4.596
   68   1HE   LYS   8          2HE       LYS   8   1.587 -11.386  -5.338
   69   2HE   LYS   8          1HE       LYS   8   2.165  -9.721  -5.127
   70   1HZ   LYS   8          1HZ       LYS   8   2.278 -11.888  -3.095
   71   2HZ   LYS   8          2HZ       LYS   8   2.742 -10.279  -2.826
   72   3HZ   LYS   8          3HZ       LYS   8   3.602 -11.237  -3.935
   73    H    GLY   9           HN       GLY   9  -4.320  -7.971  -2.330
   74   1HA   GLY   9          2HA       GLY   9  -5.951  -8.877  -0.865
   75   2HA   GLY   9          1HA       GLY   9  -4.692  -9.876  -0.131
   76    H    ARG  10           HN       ARG  10  -4.387  -6.405  -0.574
   77    HA   ARG  10           HA       ARG  10  -4.919  -5.901   2.316
   78   1HB   ARG  10          2HB       ARG  10  -2.333  -5.238   0.854
   79   2HB   ARG  10          1HB       ARG  10  -2.691  -4.870   2.542
   80   1HG   ARG  10          2HG       ARG  10  -3.004  -7.345   2.938
   81   2HG   ARG  10          1HG       ARG  10  -2.400  -7.620   1.304
   82   1HD   ARG  10          2HD       ARG  10  -0.460  -7.825   2.659
   83   2HD   ARG  10          1HD       ARG  10  -0.369  -6.154   2.064
   84    HE   ARG  10           HE       ARG  10  -1.242  -6.961   4.794
   85   1HH1  ARG  10          1HH2      ARG  10   0.923  -4.964   3.516
   86   2HH1  ARG  10          2HH2      ARG  10   0.295  -3.479   4.146
   87   1HH2  ARG  10          1HH1      ARG  10  -2.720  -4.870   5.144
   88   2HH2  ARG  10          2HH1      ARG  10  -1.768  -3.425   5.069
   89    H    THR  11           HN       THR  11  -6.604  -4.404   1.816
   90    HA   THR  11           HA       THR  11  -6.441  -2.470  -0.307
   91    HB   THR  11           HB       THR  11  -8.026  -2.417   2.283
   92    HG1  THR  11           1HG      THR  11  -8.616  -4.239   1.278
   93   1HG2  THR  11          1HG2      THR  11  -8.413  -0.314   1.424
   94   2HG2  THR  11          2HG2      THR  11  -9.596  -1.210   0.469
   95   3HG2  THR  11          3HG2      THR  11  -8.025  -0.803  -0.224
   96    H    PHE  12           HN       PHE  12  -6.208  -0.072   0.059
   97    HA   PHE  12           HA       PHE  12  -4.473   0.579   2.413
   98   1HB   PHE  12          2HB       PHE  12  -4.148   1.156  -0.545
   99   2HB   PHE  12          1HB       PHE  12  -3.319   2.127   0.682
  100    HD1  PHE  12           1HD      PHE  12  -1.606   1.128   2.152
  101    HD2  PHE  12           2HD      PHE  12  -3.610  -1.150  -0.893
  102    HE1  PHE  12           1HE      PHE  12   0.115  -0.661   2.348
  103    HE2  PHE  12           2HE      PHE  12  -1.911  -2.955  -0.669
  104    HZ   PHE  12           HZ       PHE  12  -0.050  -2.698   0.939
  105    H    ARG  13           HN       ARG  13  -5.210   2.292   3.548
  106    HA   ARG  13           HA       ARG  13  -7.083   4.220   2.214
  107   1HB   ARG  13          2HB       ARG  13  -8.239   4.297   4.426
  108   2HB   ARG  13          1HB       ARG  13  -8.243   2.672   3.745
  109   1HG   ARG  13          2HG       ARG  13  -6.337   2.046   5.158
  110   2HG   ARG  13          1HG       ARG  13  -6.256   3.684   5.803
  111   1HD   ARG  13          2HD       ARG  13  -7.668   2.971   7.438
  112   2HD   ARG  13          1HD       ARG  13  -8.932   2.911   6.195
  113    HE   ARG  13           HE       ARG  13  -8.479   0.551   5.896
  114   1HH1  ARG  13          1HH2      ARG  13  -5.591   1.561   7.107
  115   2HH1  ARG  13          2HH2      ARG  13  -5.438   0.341   8.326
  116   1HH2  ARG  13          1HH1      ARG  13  -8.692  -0.801   7.970
  117   2HH2  ARG  13          2HH1      ARG  13  -7.193  -0.997   8.816
  118    H    ASN  14           HN       ASN  14  -4.196   4.420   2.476
  119    HA   ASN  14           HA       ASN  14  -3.987   7.057   3.703
  120   1HB   ASN  14          2HB       ASN  14  -3.961   5.722   5.715
  121   2HB   ASN  14          1HB       ASN  14  -2.811   4.583   5.017
  122   1HD2  ASN  14          1HD2      ASN  14  -3.060   8.098   5.735
  123   2HD2  ASN  14          2HD2      ASN  14  -1.446   8.268   6.234
  124    H    GLU  15           HN       GLU  15  -2.350   8.128   2.651
  125    HA   GLU  15           HA       GLU  15  -0.875   6.910   0.506
  126   1HB   GLU  15          2HB       GLU  15  -1.554   9.427   1.314
  127   2HB   GLU  15          1HB       GLU  15   0.154   9.397   1.754
  128   1HG   GLU  15          2HG       GLU  15   0.436   8.359  -0.663
  129   2HG   GLU  15          1HG       GLU  15  -1.109   9.156  -0.956
  130    H    LYS  16           HN       LYS  16   0.091   7.904   3.798
  131    HA   LYS  16           HA       LYS  16   2.836   7.301   3.684
  132   1HB   LYS  16          2HB       LYS  16   1.187   8.323   5.506
  133   2HB   LYS  16          1HB       LYS  16   1.238   6.672   6.125
  134   1HG   LYS  16          2HG       LYS  16   3.607   6.752   6.420
  135   2HG   LYS  16          1HG       LYS  16   3.744   8.239   5.479
  136   1HD   LYS  16          2HD       LYS  16   2.067   8.154   7.982
  137   2HD   LYS  16          1HD       LYS  16   3.809   8.420   8.074
  138   1HE   LYS  16          2HE       LYS  16   3.630  10.554   7.291
  139   2HE   LYS  16          1HE       LYS  16   2.463  10.084   6.039
  140   1HZ   LYS  16          1HZ       LYS  16   1.804  10.197   8.931
  141   2HZ   LYS  16          2HZ       LYS  16   0.726   9.997   7.634
  142   3HZ   LYS  16          3HZ       LYS  16   1.516  11.483   7.865
  143    H    GLU  17           HN       GLU  17   0.109   5.234   4.432
  144    HA   GLU  17           HA       GLU  17   1.512   2.845   5.142
  145   1HB   GLU  17          2HB       GLU  17  -1.203   3.626   4.158
  146   2HB   GLU  17          1HB       GLU  17  -0.786   1.916   4.100
  147   1HG   GLU  17          2HG       GLU  17  -0.652   3.675   6.563
  148   2HG   GLU  17          1HG       GLU  17  -1.908   2.489   6.205
  149    H    LEU  18           HN       LEU  18  -0.305   3.321   2.135
  150    HA   LEU  18           HA       LEU  18   0.762   1.224   0.652
  151   1HB   LEU  18          2HB       LEU  18  -1.199   2.733   0.159
  152   2HB   LEU  18          1HB       LEU  18  -0.047   3.942  -0.406
  153    HG   LEU  18           HG       LEU  18   0.844   2.206  -2.005
  154   1HD1  LEU  18          1HD1      LEU  18  -0.352   0.342  -0.573
  155   2HD1  LEU  18          2HD1      LEU  18  -0.236   0.158  -2.315
  156   3HD1  LEU  18          3HD1      LEU  18  -1.733   0.731  -1.586
  157   1HD2  LEU  18          1HD2      LEU  18  -2.023   2.459  -2.705
  158   2HD2  LEU  18          2HD2      LEU  18  -0.597   2.973  -3.604
  159   3HD2  LEU  18          3HD2      LEU  18  -1.213   3.968  -2.286
  160    H    ARG  19           HN       ARG  19   1.995   4.613   0.651
  161    HA   ARG  19           HA       ARG  19   4.063   4.276  -1.247
  162   1HB   ARG  19          2HB       ARG  19   3.739   5.952   1.249
  163   2HB   ARG  19          1HB       ARG  19   5.177   6.095   0.241
  164   1HG   ARG  19          2HG       ARG  19   3.350   6.262  -1.699
  165   2HG   ARG  19          1HG       ARG  19   2.357   6.859  -0.368
  166   1HD   ARG  19          2HD       ARG  19   5.092   7.962  -1.114
  167   2HD   ARG  19          1HD       ARG  19   3.539   8.728  -1.505
  168    HE   ARG  19           HE       ARG  19   4.418   8.185   1.309
  169   1HH1  ARG  19          1HH1      ARG  19   4.139  10.710  -0.793
  170   2HH1  ARG  19          2HH1      ARG  19   3.015  11.635   0.147
  171   1HH2  ARG  19          1HH2      ARG  19   2.380   9.075   2.397
  172   2HH2  ARG  19          2HH2      ARG  19   2.019  10.709   1.951
  173    H    ASP  20           HN       ASP  20   3.957   3.354   2.170
  174    HA   ASP  20           HA       ASP  20   6.765   2.563   2.351
  175   1HB   ASP  20          2HB       ASP  20   4.278   2.514   3.973
  176   2HB   ASP  20          1HB       ASP  20   5.417   1.214   4.325
  177    H    PHE  21           HN       PHE  21   3.654   0.988   1.786
  178    HA   PHE  21           HA       PHE  21   4.493  -1.757   1.590
  179   1HB   PHE  21          2HB       PHE  21   2.168  -1.081   1.761
  180   2HB   PHE  21          1HB       PHE  21   2.273  -0.127   0.297
  181    HD1  PHE  21           1HD      PHE  21   1.999  -1.113  -1.868
  182    HD2  PHE  21           2HD      PHE  21   2.541  -3.539   1.637
  183    HE1  PHE  21           1HE      PHE  21   1.449  -3.155  -3.184
  184    HE2  PHE  21           2HE      PHE  21   1.991  -5.584   0.320
  185    HZ   PHE  21           HZ       PHE  21   1.445  -5.383  -2.093
  186    H    ILE  22           HN       ILE  22   3.653   0.505  -0.970
  187    HA   ILE  22           HA       ILE  22   4.439  -0.808  -3.288
  188    HB   ILE  22           HB       ILE  22   4.691   2.118  -2.509
  189   1HG1  ILE  22          2HG1      ILE  22   2.429   1.050  -2.243
  190   2HG1  ILE  22          1HG1      ILE  22   2.451   2.318  -3.462
  191   1HG2  ILE  22          1HG2      ILE  22   4.558   2.592  -4.914
  192   2HG2  ILE  22          2HG2      ILE  22   4.512   0.862  -5.260
  193   3HG2  ILE  22          3HG2      ILE  22   5.967   1.585  -4.573
  194   1HD1  ILE  22          1HD1      ILE  22   1.745  -0.446  -3.734
  195   2HD1  ILE  22          2HD1      ILE  22   3.124  -0.103  -4.774
  196   3HD1  ILE  22          3HD1      ILE  22   1.646   0.842  -4.934
  197    H    GLU  23           HN       GLU  23   6.468   0.819  -0.919
  198    HA   GLU  23           HA       GLU  23   8.921   0.532  -2.557
  199   1HB   GLU  23          2HB       GLU  23   8.305   2.515  -1.075
  200   2HB   GLU  23          1HB       GLU  23   8.585   1.461   0.310
  201   1HG   GLU  23          2HG       GLU  23  10.635   2.659  -0.081
  202   2HG   GLU  23          1HG       GLU  23  10.892   1.003  -0.632
  203    H    LYS  24           HN       LYS  24   7.485  -0.804   0.417
  204    HA   LYS  24           HA       LYS  24   9.694  -2.476   1.177
  205   1HB   LYS  24          2HB       LYS  24   7.558  -1.751   2.451
  206   2HB   LYS  24          1HB       LYS  24   6.763  -3.083   1.612
  207   1HG   LYS  24          2HG       LYS  24   7.474  -4.244   3.463
  208   2HG   LYS  24          1HG       LYS  24   8.941  -4.390   2.496
  209   1HD   LYS  24          2HD       LYS  24   9.671  -3.626   4.632
  210   2HD   LYS  24          1HD       LYS  24   9.702  -2.202   3.590
  211   1HE   LYS  24          2HE       LYS  24   7.604  -1.402   4.490
  212   2HE   LYS  24          1HE       LYS  24   7.354  -2.917   5.380
  213   1HZ   LYS  24          1HZ       LYS  24   8.317  -1.312   6.862
  214   2HZ   LYS  24          2HZ       LYS  24   9.573  -0.980   5.766
  215   3HZ   LYS  24          3HZ       LYS  24   9.487  -2.496   6.520
  216    H    PHE  25           HN       PHE  25   6.739  -3.158  -0.709
  217    HA   PHE  25           HA       PHE  25   7.270  -5.874  -1.291
  218   1HB   PHE  25          2HB       PHE  25   5.086  -4.932  -1.596
  219   2HB   PHE  25          1HB       PHE  25   5.705  -3.685  -2.671
  220    HD1  PHE  25           1HD      PHE  25   4.986  -3.978  -4.840
  221    HD2  PHE  25           2HD      PHE  25   6.052  -7.436  -2.529
  222    HE1  PHE  25           1HE      PHE  25   4.572  -5.411  -6.814
  223    HE2  PHE  25           2HE      PHE  25   5.631  -8.882  -4.503
  224    HZ   PHE  25           HZ       PHE  25   4.892  -7.871  -6.646
  225    H    LYS  26           HN       LYS  26   7.198  -3.914  -4.165
  226    HA   LYS  26           HA       LYS  26  10.055  -4.272  -4.743
  227   1HB   LYS  26          2HB       LYS  26   7.718  -5.542  -6.163
  228   2HB   LYS  26          1HB       LYS  26   9.351  -5.507  -6.841
  229   1HG   LYS  26          2HG       LYS  26  10.085  -6.589  -4.622
  230   2HG   LYS  26          1HG       LYS  26   8.369  -6.896  -4.352
  231   1HD   LYS  26          2HD       LYS  26   8.290  -8.049  -6.584
  232   2HD   LYS  26          1HD       LYS  26  10.043  -7.874  -6.683
  233   1HE   LYS  26          2HE       LYS  26  10.342  -9.221  -4.669
  234   2HE   LYS  26          1HE       LYS  26   8.586  -9.306  -4.431
  235   1HZ   LYS  26          1HZ       LYS  26   9.369 -11.264  -5.609
  236   2HZ   LYS  26          2HZ       LYS  26  10.067 -10.289  -6.813
  237   3HZ   LYS  26          3HZ       LYS  26   8.382 -10.324  -6.624
  238    H    GLY  27           HN       GLY  27   7.156  -3.773  -6.685
  239   1HA   GLY  27          2HA       GLY  27   6.332  -1.717  -7.598
  240   2HA   GLY  27          1HA       GLY  27   7.861  -0.943  -7.170
  241    H    ARG  28           HN       ARG  28   9.516  -3.070  -8.343
  242    HA   ARG  28           HA       ARG  28   9.560  -2.110 -11.100
  243   1HB   ARG  28          2HB       ARG  28  11.468  -2.812  -9.452
  244   2HB   ARG  28          1HB       ARG  28  11.108  -4.450  -9.998
  245   1HG   ARG  28          2HG       ARG  28  11.294  -3.469 -12.391
  246   2HG   ARG  28          1HG       ARG  28  12.109  -2.111 -11.614
  247   1HD   ARG  28          2HD       ARG  28  13.653  -3.831 -10.513
  248   2HD   ARG  28          1HD       ARG  28  12.969  -5.016 -11.644
  249    HE   ARG  28           HE       ARG  28  14.729  -2.783 -12.363
  250   1HH1  ARG  28          1HH2      ARG  28  12.377  -2.433 -14.131
  251   2HH1  ARG  28          2HH2      ARG  28  12.746  -3.472 -15.467
  252   1HH2  ARG  28          1HH1      ARG  28  15.186  -5.247 -13.757
  253   2HH2  ARG  28          2HH1      ARG  28  14.335  -5.066 -15.255
  Start of MODEL   15
    1   1H    GLU   1          1HT       GLU   1 -10.934   9.355   6.457
    2   2H    GLU   1          2HT       GLU   1 -10.033   7.920   6.579
    3   3H    GLU   1          3HT       GLU   1 -11.527   8.059   7.376
    4    HA   GLU   1           HA       GLU   1 -11.810   6.714   5.399
    5   1HB   GLU   1          2HB       GLU   1 -13.543   8.309   6.251
    6   2HB   GLU   1          1HB       GLU   1 -12.917   9.529   5.140
    7   1HG   GLU   1          2HG       GLU   1 -13.793   8.494   3.290
    8   2HG   GLU   1          1HG       GLU   1 -13.580   6.878   3.964
    9    H    GLN   2           HN       GLN   2 -10.561   6.217   3.645
   10    HA   GLN   2           HA       GLN   2  -9.865   8.384   1.716
   11   1HB   GLN   2          2HB       GLN   2  -8.087   6.951   3.536
   12   2HB   GLN   2          1HB       GLN   2  -7.607   6.713   1.858
   13   1HG   GLN   2          2HG       GLN   2  -8.118   9.409   3.152
   14   2HG   GLN   2          1HG       GLN   2  -6.526   8.713   2.854
   15   1HE2  GLN   2          1HE2      GLN   2  -6.748  11.047   1.596
   16   2HE2  GLN   2          2HE2      GLN   2  -7.109  10.880  -0.054
   17    H    TYR   3           HN       TYR   3  -8.675   7.175  -0.233
   18    HA   TYR   3           HA       TYR   3 -10.490   5.541  -1.586
   19   1HB   TYR   3          2HB       TYR   3  -8.467   4.975  -3.000
   20   2HB   TYR   3          1HB       TYR   3  -8.730   6.695  -2.715
   21    HD1  TYR   3           1HD      TYR   3  -6.975   7.990  -1.958
   22    HD2  TYR   3           2HD      TYR   3  -6.930   3.770  -1.178
   23    HE1  TYR   3           1HE      TYR   3  -4.735   8.199  -0.935
   24    HE2  TYR   3           2HE      TYR   3  -4.696   3.981  -0.170
   25    HH   TYR   3           HH       TYR   3  -2.761   6.729  -0.525
   26    H    THR   4           HN       THR   4  -9.833   3.231  -2.430
   27    HA   THR   4           HA       THR   4  -8.947   1.536  -0.120
   28    HB   THR   4           HB       THR   4 -10.787  -0.042  -1.009
   29    HG1  THR   4           1HG      THR   4 -11.736   0.659  -2.723
   30   1HG2  THR   4          1HG2      THR   4 -11.104   2.507   0.488
   31   2HG2  THR   4          2HG2      THR   4 -11.427   0.852   1.002
   32   3HG2  THR   4          3HG2      THR   4 -12.587   1.700  -0.021
   33    H    ALA   5           HN       ALA   5  -6.960   1.932  -1.721
   34    HA   ALA   5           HA       ALA   5  -6.875   0.461  -4.195
   35   1HB   ALA   5          1HB       ALA   5  -5.433   2.433  -3.255
   36   2HB   ALA   5          2HB       ALA   5  -4.640   1.199  -4.236
   37   3HB   ALA   5          3HB       ALA   5  -4.506   1.146  -2.475
   38    H    LYS   6           HN       LYS   6  -6.500  -1.738  -4.423
   39    HA   LYS   6           HA       LYS   6  -5.568  -3.226  -1.989
   40   1HB   LYS   6          2HB       LYS   6  -6.725  -5.167  -3.099
   41   2HB   LYS   6          1HB       LYS   6  -7.807  -3.841  -2.675
   42   1HG   LYS   6          2HG       LYS   6  -8.252  -3.335  -4.851
   43   2HG   LYS   6          1HG       LYS   6  -6.599  -3.657  -5.369
   44   1HD   LYS   6          2HD       LYS   6  -6.982  -6.022  -5.432
   45   2HD   LYS   6          1HD       LYS   6  -8.529  -5.857  -4.600
   46   1HE   LYS   6          2HE       LYS   6  -8.982  -6.173  -6.975
   47   2HE   LYS   6          1HE       LYS   6  -9.337  -4.480  -6.579
   48   1HZ   LYS   6          1HZ       LYS   6  -7.897  -4.708  -8.554
   49   2HZ   LYS   6          2HZ       LYS   6  -6.721  -5.464  -7.592
   50   3HZ   LYS   6          3HZ       LYS   6  -7.148  -3.846  -7.296
   51    H    TYR   7           HN       TYR   7  -3.841  -4.648  -2.208
   52    HA   TYR   7           HA       TYR   7  -2.459  -4.690  -4.872
   53   1HB   TYR   7          2HB       TYR   7  -1.455  -4.268  -2.051
   54   2HB   TYR   7          1HB       TYR   7  -0.366  -4.707  -3.372
   55    HD1  TYR   7           1HD      TYR   7   0.473  -3.057  -4.784
   56    HD2  TYR   7           2HD      TYR   7  -3.042  -2.271  -2.468
   57    HE1  TYR   7           1HE      TYR   7   0.515  -0.704  -5.542
   58    HE2  TYR   7           2HE      TYR   7  -3.026   0.091  -3.219
   59    HH   TYR   7           HH       TYR   7  -2.102   1.357  -5.256
   60    H    LYS   8           HN       LYS   8  -1.760  -6.284  -1.763
   61    HA   LYS   8           HA       LYS   8  -2.049  -8.942  -3.130
   62   1HB   LYS   8          2HB       LYS   8   0.258  -7.972  -2.387
   63   2HB   LYS   8          1HB       LYS   8  -0.289  -8.343  -0.751
   64   1HG   LYS   8          2HG       LYS   8   0.948 -10.255  -1.534
   65   2HG   LYS   8          1HG       LYS   8  -0.759 -10.700  -1.544
   66   1HD   LYS   8          2HD       LYS   8  -0.868 -10.781  -3.830
   67   2HD   LYS   8          1HD       LYS   8   0.284  -9.462  -4.035
   68   1HE   LYS   8          2HE       LYS   8   1.787 -11.534  -2.861
   69   2HE   LYS   8          1HE       LYS   8   0.776 -12.329  -4.083
   70   1HZ   LYS   8          1HZ       LYS   8   1.413 -10.556  -5.648
   71   2HZ   LYS   8          2HZ       LYS   8   2.748 -11.473  -5.134
   72   3HZ   LYS   8          3HZ       LYS   8   2.478  -9.926  -4.488
   73    H    GLY   9           HN       GLY   9  -4.361  -8.037  -2.106
   74   1HA   GLY   9          2HA       GLY   9  -6.070  -8.827  -0.672
   75   2HA   GLY   9          1HA       GLY   9  -4.867  -9.821   0.156
   76    H    ARG  10           HN       ARG  10  -4.419  -6.378  -0.369
   77    HA   ARG  10           HA       ARG  10  -5.099  -5.790   2.479
   78   1HB   ARG  10          2HB       ARG  10  -2.452  -5.192   1.104
   79   2HB   ARG  10          1HB       ARG  10  -2.874  -4.762   2.762
   80   1HG   ARG  10          2HG       ARG  10  -3.265  -7.243   3.188
   81   2HG   ARG  10          1HG       ARG  10  -2.514  -7.542   1.620
   82   1HD   ARG  10          2HD       ARG  10  -0.413  -6.766   2.332
   83   2HD   ARG  10          1HD       ARG  10  -1.107  -5.833   3.672
   84    HE   ARG  10           HE       ARG  10  -0.477  -8.673   3.742
   85   1HH1  ARG  10          1HH1      ARG  10  -0.846  -6.348   5.883
   86   2HH1  ARG  10          2HH1      ARG  10  -2.036  -7.103   6.890
   87   1HH2  ARG  10          1HH2      ARG  10  -2.776  -9.598   4.597
   88   2HH2  ARG  10          2HH2      ARG  10  -3.131  -8.942   6.160
   89    H    THR  11           HN       THR  11  -6.770  -4.317   1.838
   90    HA   THR  11           HA       THR  11  -6.492  -2.412  -0.294
   91    HB   THR  11           HB       THR  11  -8.198  -2.336   2.220
   92    HG1  THR  11           1HG      THR  11  -8.744  -3.318  -0.385
   93   1HG2  THR  11          1HG2      THR  11  -8.646  -0.251   1.407
   94   2HG2  THR  11          2HG2      THR  11  -9.625  -1.121   0.226
   95   3HG2  THR  11          3HG2      THR  11  -7.983  -0.621  -0.185
   96    H    PHE  12           HN       PHE  12  -6.105  -0.054  -0.028
   97    HA   PHE  12           HA       PHE  12  -4.507   0.606   2.423
   98   1HB   PHE  12          2HB       PHE  12  -4.094   1.164  -0.524
   99   2HB   PHE  12          1HB       PHE  12  -3.298   2.148   0.715
  100    HD1  PHE  12           1HD      PHE  12  -1.579   1.194   2.187
  101    HD2  PHE  12           2HD      PHE  12  -3.604  -1.180  -0.772
  102    HE1  PHE  12           1HE      PHE  12   0.128  -0.601   2.445
  103    HE2  PHE  12           2HE      PHE  12  -1.917  -2.987  -0.486
  104    HZ   PHE  12           HZ       PHE  12  -0.052  -2.687   1.109
  105    H    ARG  13           HN       ARG  13  -5.439   2.199   3.593
  106    HA   ARG  13           HA       ARG  13  -7.241   4.151   2.199
  107   1HB   ARG  13          2HB       ARG  13  -8.348   4.300   4.430
  108   2HB   ARG  13          1HB       ARG  13  -8.356   2.653   3.801
  109   1HG   ARG  13          2HG       ARG  13  -6.553   1.997   5.238
  110   2HG   ARG  13          1HG       ARG  13  -6.220   3.670   5.691
  111   1HD   ARG  13          2HD       ARG  13  -8.873   3.432   6.394
  112   2HD   ARG  13          1HD       ARG  13  -8.244   1.816   6.770
  113    HE   ARG  13           HE       ARG  13  -6.922   4.317   7.758
  114   1HH1  ARG  13          1HH2      ARG  13  -9.005   2.153   9.007
  115   2HH1  ARG  13          2HH2      ARG  13  -7.945   1.477  10.199
  116   1HH2  ARG  13          1HH1      ARG  13  -5.101   2.980   8.902
  117   2HH2  ARG  13          2HH1      ARG  13  -5.734   1.947  10.141
  118    H    ASN  14           HN       ASN  14  -4.286   4.317   2.538
  119    HA   ASN  14           HA       ASN  14  -4.150   7.044   3.596
  120   1HB   ASN  14          2HB       ASN  14  -4.111   5.715   5.651
  121   2HB   ASN  14          1HB       ASN  14  -2.804   4.716   5.013
  122   1HD2  ASN  14          1HD2      ASN  14  -3.532   8.183   5.624
  123   2HD2  ASN  14          2HD2      ASN  14  -1.962   8.586   6.132
  124    H    GLU  15           HN       GLU  15  -2.203   8.073   2.943
  125    HA   GLU  15           HA       GLU  15  -0.839   6.858   0.665
  126   1HB   GLU  15          2HB       GLU  15  -1.524   9.359   1.389
  127   2HB   GLU  15          1HB       GLU  15   0.136   9.347   1.990
  128   1HG   GLU  15          2HG       GLU  15   1.002   8.789  -0.190
  129   2HG   GLU  15          1HG       GLU  15  -0.623   8.511  -0.821
  130    H    LYS  16           HN       LYS  16   0.036   7.673   4.018
  131    HA   LYS  16           HA       LYS  16   2.802   7.122   3.902
  132   1HB   LYS  16          2HB       LYS  16   1.127   8.070   5.744
  133   2HB   LYS  16          1HB       LYS  16   1.201   6.401   6.312
  134   1HG   LYS  16          2HG       LYS  16   3.756   7.830   5.650
  135   2HG   LYS  16          1HG       LYS  16   2.957   8.172   7.185
  136   1HD   LYS  16          2HD       LYS  16   3.200   5.300   6.480
  137   2HD   LYS  16          1HD       LYS  16   4.714   6.128   6.841
  138   1HE   LYS  16          2HE       LYS  16   3.336   7.070   8.910
  139   2HE   LYS  16          1HE       LYS  16   2.374   5.602   8.641
  140   1HZ   LYS  16          1HZ       LYS  16   5.333   5.713   8.902
  141   2HZ   LYS  16          2HZ       LYS  16   4.423   4.312   8.607
  142   3HZ   LYS  16          3HZ       LYS  16   4.259   5.135  10.084
  143    H    GLU  17           HN       GLU  17   0.092   5.000   4.596
  144    HA   GLU  17           HA       GLU  17   1.540   2.611   5.211
  145   1HB   GLU  17          2HB       GLU  17  -1.183   3.084   3.951
  146   2HB   GLU  17          1HB       GLU  17  -0.644   1.532   4.585
  147   1HG   GLU  17          2HG       GLU  17  -0.843   4.090   6.192
  148   2HG   GLU  17          1HG       GLU  17  -2.028   2.784   6.206
  149    H    LEU  18           HN       LEU  18  -0.263   3.259   2.211
  150    HA   LEU  18           HA       LEU  18   0.801   1.166   0.683
  151   1HB   LEU  18          2HB       LEU  18  -1.183   2.675   0.235
  152   2HB   LEU  18          1HB       LEU  18  -0.038   3.889  -0.335
  153    HG   LEU  18           HG       LEU  18   0.843   2.172  -1.953
  154   1HD1  LEU  18          1HD1      LEU  18  -0.333   0.296  -0.502
  155   2HD1  LEU  18          2HD1      LEU  18  -0.194   0.106  -2.239
  156   3HD1  LEU  18          3HD1      LEU  18  -1.708   0.661  -1.531
  157   1HD2  LEU  18          1HD2      LEU  18  -2.054   2.418  -2.568
  158   2HD2  LEU  18          2HD2      LEU  18  -0.656   2.874  -3.541
  159   3HD2  LEU  18          3HD2      LEU  18  -1.197   3.921  -2.229
  160    H    ARG  19           HN       ARG  19   1.946   4.589   0.664
  161    HA   ARG  19           HA       ARG  19   4.042   4.275  -1.203
  162   1HB   ARG  19          2HB       ARG  19   3.629   5.990   1.249
  163   2HB   ARG  19          1HB       ARG  19   5.095   6.144   0.280
  164   1HG   ARG  19          2HG       ARG  19   2.487   6.138  -1.168
  165   2HG   ARG  19          1HG       ARG  19   2.910   7.588  -0.257
  166   1HD   ARG  19          2HD       ARG  19   4.889   7.947  -1.526
  167   2HD   ARG  19          1HD       ARG  19   4.856   6.300  -2.188
  168    HE   ARG  19           HE       ARG  19   3.156   8.545  -3.065
  169   1HH1  ARG  19          1HH2      ARG  19   1.262   6.333  -2.738
  170   2HH1  ARG  19          2HH2      ARG  19   1.396   5.466  -4.232
  171   1HH2  ARG  19          1HH1      ARG  19   4.419   6.920  -5.111
  172   2HH2  ARG  19          2HH1      ARG  19   3.183   5.799  -5.575
  173    H    ASP  20           HN       ASP  20   3.911   3.366   2.208
  174    HA   ASP  20           HA       ASP  20   6.747   2.661   2.423
  175   1HB   ASP  20          2HB       ASP  20   5.317   3.325   4.347
  176   2HB   ASP  20          1HB       ASP  20   4.290   1.918   4.065
  177    H    PHE  21           HN       PHE  21   3.670   1.017   1.867
  178    HA   PHE  21           HA       PHE  21   4.570  -1.717   1.722
  179   1HB   PHE  21          2HB       PHE  21   2.233  -1.102   1.880
  180   2HB   PHE  21          1HB       PHE  21   2.316  -0.147   0.415
  181    HD1  PHE  21           1HD      PHE  21   2.070  -1.148  -1.749
  182    HD2  PHE  21           2HD      PHE  21   2.654  -3.547   1.764
  183    HE1  PHE  21           1HE      PHE  21   1.580  -3.206  -3.063
  184    HE2  PHE  21           2HE      PHE  21   2.145  -5.607   0.457
  185    HZ   PHE  21           HZ       PHE  21   1.613  -5.430  -1.961
  186    H    ILE  22           HN       ILE  22   3.679   0.487  -0.872
  187    HA   ILE  22           HA       ILE  22   4.500  -0.827  -3.172
  188    HB   ILE  22           HB       ILE  22   4.695   2.111  -2.423
  189   1HG1  ILE  22          2HG1      ILE  22   2.447   1.018  -2.149
  190   2HG1  ILE  22          1HG1      ILE  22   2.455   2.262  -3.392
  191   1HG2  ILE  22          1HG2      ILE  22   4.586   2.570  -4.822
  192   2HG2  ILE  22          2HG2      ILE  22   4.524   0.841  -5.168
  193   3HG2  ILE  22          3HG2      ILE  22   5.985   1.550  -4.483
  194   1HD1  ILE  22          1HD1      ILE  22   1.803  -0.526  -3.616
  195   2HD1  ILE  22          2HD1      ILE  22   3.167  -0.160  -4.668
  196   3HD1  ILE  22          3HD1      ILE  22   1.662   0.743  -4.828
  197    H    GLU  23           HN       GLU  23   6.487   0.869  -0.817
  198    HA   GLU  23           HA       GLU  23   8.952   0.779  -2.404
  199   1HB   GLU  23          2HB       GLU  23   8.073   2.329  -0.407
  200   2HB   GLU  23          1HB       GLU  23   8.893   1.111   0.572
  201   1HG   GLU  23          2HG       GLU  23  10.552   2.755   0.137
  202   2HG   GLU  23          1HG       GLU  23  10.904   1.446  -0.993
  203    H    LYS  24           HN       LYS  24   7.675  -0.944   0.456
  204    HA   LYS  24           HA       LYS  24   9.884  -2.770   0.747
  205   1HB   LYS  24          2HB       LYS  24   8.157  -2.225   2.467
  206   2HB   LYS  24          1HB       LYS  24   6.950  -3.057   1.488
  207   1HG   LYS  24          2HG       LYS  24   8.984  -4.935   1.680
  208   2HG   LYS  24          1HG       LYS  24   9.000  -4.173   3.270
  209   1HD   LYS  24          2HD       LYS  24   6.347  -4.909   2.108
  210   2HD   LYS  24          1HD       LYS  24   7.365  -6.210   2.726
  211   1HE   LYS  24          2HE       LYS  24   7.525  -5.089   4.908
  212   2HE   LYS  24          1HE       LYS  24   6.554  -3.736   4.297
  213   1HZ   LYS  24          1HZ       LYS  24   4.754  -5.233   3.821
  214   2HZ   LYS  24          2HZ       LYS  24   5.199  -5.423   5.451
  215   3HZ   LYS  24          3HZ       LYS  24   5.678  -6.575   4.302
  216    H    PHE  25           HN       PHE  25   6.770  -2.972  -0.967
  217    HA   PHE  25           HA       PHE  25   6.867  -5.641  -1.842
  218   1HB   PHE  25          2HB       PHE  25   4.883  -4.310  -2.048
  219   2HB   PHE  25          1HB       PHE  25   5.721  -3.097  -3.008
  220    HD1  PHE  25           1HD      PHE  25   5.017  -3.066  -5.202
  221    HD2  PHE  25           2HD      PHE  25   5.373  -6.846  -3.197
  222    HE1  PHE  25           1HE      PHE  25   4.368  -4.224  -7.291
  223    HE2  PHE  25           2HE      PHE  25   4.716  -8.013  -5.287
  224    HZ   PHE  25           HZ       PHE  25   4.212  -6.704  -7.334
  225    H    LYS  26           HN       LYS  26   7.173  -3.419  -4.509
  226    HA   LYS  26           HA       LYS  26   9.921  -4.260  -5.152
  227   1HB   LYS  26          2HB       LYS  26   7.399  -4.850  -6.694
  228   2HB   LYS  26          1HB       LYS  26   9.019  -5.086  -7.360
  229   1HG   LYS  26          2HG       LYS  26   9.457  -6.529  -5.268
  230   2HG   LYS  26          1HG       LYS  26   7.706  -6.511  -5.051
  231   1HD   LYS  26          2HD       LYS  26   7.652  -7.236  -7.571
  232   2HD   LYS  26          1HD       LYS  26   9.321  -7.728  -7.279
  233   1HE   LYS  26          2HE       LYS  26   8.417  -8.997  -5.224
  234   2HE   LYS  26          1HE       LYS  26   6.811  -8.762  -5.944
  235   1HZ   LYS  26          1HZ       LYS  26   7.733 -10.798  -6.785
  236   2HZ   LYS  26          2HZ       LYS  26   9.172 -10.019  -7.239
  237   3HZ   LYS  26          3HZ       LYS  26   7.719  -9.659  -8.041
  238    H    GLY  27           HN       GLY  27   7.103  -2.904  -6.775
  239   1HA   GLY  27          2HA       GLY  27   6.733  -0.848  -7.832
  240   2HA   GLY  27          1HA       GLY  27   8.093  -0.205  -6.907
  241    H    ARG  28           HN       ARG  28   7.562  -2.529  -9.580
  242    HA   ARG  28           HA       ARG  28  10.016  -1.417 -10.903
  243   1HB   ARG  28          2HB       ARG  28  10.068  -3.790 -10.117
  244   2HB   ARG  28          1HB       ARG  28   8.686  -4.136 -11.154
  245   1HG   ARG  28          2HG       ARG  28  10.771  -2.784 -12.662
  246   2HG   ARG  28          1HG       ARG  28  11.412  -4.224 -11.874
  247   1HD   ARG  28          2HD       ARG  28   8.767  -4.460 -13.265
  248   2HD   ARG  28          1HD       ARG  28  10.240  -4.412 -14.256
  249    HE   ARG  28           HE       ARG  28  11.074  -6.246 -12.603
  250   1HH1  ARG  28          1HH2      ARG  28   9.040  -6.928 -14.879
  251   2HH1  ARG  28          2HH2      ARG  28   8.009  -8.029 -14.028
  252   1HH2  ARG  28          1HH1      ARG  28   9.208  -7.149 -10.896
  253   2HH2  ARG  28          2HH1      ARG  28   8.105  -8.155 -11.774
  Start of MODEL   16
    1   1H    GLU   1          1HT       GLU   1 -15.844   8.649   1.695
    2   2H    GLU   1          2HT       GLU   1 -14.856   8.332   0.349
    3   3H    GLU   1          3HT       GLU   1 -14.757   9.830   1.146
    4    HA   GLU   1           HA       GLU   1 -13.765   8.867   3.061
    5   1HB   GLU   1          2HB       GLU   1 -13.597   6.378   3.183
    6   2HB   GLU   1          1HB       GLU   1 -15.268   6.931   3.098
    7   1HG   GLU   1          2HG       GLU   1 -15.566   6.145   0.941
    8   2HG   GLU   1          1HG       GLU   1 -13.860   6.317   0.527
    9    H    GLN   2           HN       GLN   2 -11.726   7.023   2.847
   10    HA   GLN   2           HA       GLN   2  -9.959   8.293   0.858
   11   1HB   GLN   2          2HB       GLN   2  -9.421   7.762   3.290
   12   2HB   GLN   2          1HB       GLN   2  -9.399   6.061   2.829
   13   1HG   GLN   2          2HG       GLN   2  -7.280   6.278   2.105
   14   2HG   GLN   2          1HG       GLN   2  -7.801   7.481   0.928
   15   1HE2  GLN   2          1HE2      GLN   2  -6.757   9.451   1.178
   16   2HE2  GLN   2          2HE2      GLN   2  -6.169  10.070   2.645
   17    H    TYR   3           HN       TYR   3  -8.790   7.064  -0.749
   18    HA   TYR   3           HA       TYR   3 -10.232   5.223  -2.287
   19   1HB   TYR   3          2HB       TYR   3  -7.968   4.739  -3.298
   20   2HB   TYR   3          1HB       TYR   3  -8.380   6.448  -3.171
   21    HD1  TYR   3           1HD      TYR   3  -6.878   7.905  -2.205
   22    HD2  TYR   3           2HD      TYR   3  -6.683   3.739  -1.187
   23    HE1  TYR   3           1HE      TYR   3  -4.863   8.328  -0.844
   24    HE2  TYR   3           2HE      TYR   3  -4.675   4.166   0.170
   25    HH   TYR   3           HH       TYR   3  -2.816   6.835  -0.075
   26    H    THR   4           HN       THR   4 -10.058   2.948  -2.597
   27    HA   THR   4           HA       THR   4  -9.152   1.447  -0.167
   28    HB   THR   4           HB       THR   4 -10.829  -0.245  -1.185
   29    HG1  THR   4           1HG      THR   4 -11.330   0.406  -3.134
   30   1HG2  THR   4          1HG2      THR   4 -11.237   1.305   0.775
   31   2HG2  THR   4          2HG2      THR   4 -12.686   0.855  -0.124
   32   3HG2  THR   4          3HG2      THR   4 -11.955   2.442  -0.367
   33    H    ALA   5           HN       ALA   5  -7.265   2.174  -2.191
   34    HA   ALA   5           HA       ALA   5  -6.733   0.455  -4.306
   35   1HB   ALA   5          1HB       ALA   5  -5.459   2.483  -3.155
   36   2HB   ALA   5          2HB       ALA   5  -4.591   1.330  -4.172
   37   3HB   ALA   5          3HB       ALA   5  -4.531   1.173  -2.412
   38    H    LYS   6           HN       LYS   6  -6.376  -1.720  -4.434
   39    HA   LYS   6           HA       LYS   6  -5.476  -3.160  -1.959
   40   1HB   LYS   6          2HB       LYS   6  -6.644  -5.126  -3.035
   41   2HB   LYS   6          1HB       LYS   6  -7.721  -3.802  -2.592
   42   1HG   LYS   6          2HG       LYS   6  -7.895  -3.052  -4.837
   43   2HG   LYS   6          1HG       LYS   6  -6.522  -4.029  -5.354
   44   1HD   LYS   6          2HD       LYS   6  -7.997  -5.628  -5.957
   45   2HD   LYS   6          1HD       LYS   6  -8.316  -5.881  -4.243
   46   1HE   LYS   6          2HE       LYS   6  -9.746  -3.557  -5.372
   47   2HE   LYS   6          1HE       LYS   6 -10.227  -5.115  -6.072
   48   1HZ   LYS   6          1HZ       LYS   6 -10.077  -4.428  -3.185
   49   2HZ   LYS   6          2HZ       LYS   6 -10.342  -5.999  -3.778
   50   3HZ   LYS   6          3HZ       LYS   6 -11.480  -4.778  -4.077
   51    H    TYR   7           HN       TYR   7  -3.735  -4.558  -2.174
   52    HA   TYR   7           HA       TYR   7  -2.397  -4.642  -4.859
   53   1HB   TYR   7          2HB       TYR   7  -1.354  -4.224  -2.053
   54   2HB   TYR   7          1HB       TYR   7  -0.291  -4.632  -3.402
   55    HD1  TYR   7           1HD      TYR   7   0.509  -2.948  -4.798
   56    HD2  TYR   7           2HD      TYR   7  -2.991  -2.242  -2.430
   57    HE1  TYR   7           1HE      TYR   7   0.501  -0.587  -5.534
   58    HE2  TYR   7           2HE      TYR   7  -3.029   0.125  -3.165
   59    HH   TYR   7           HH       TYR   7  -2.184   1.454  -5.103
   60    H    LYS   8           HN       LYS   8  -2.381  -6.240  -1.657
   61    HA   LYS   8           HA       LYS   8  -2.480  -8.901  -2.998
   62   1HB   LYS   8          2HB       LYS   8  -0.115  -7.805  -2.249
   63   2HB   LYS   8          1HB       LYS   8  -0.584  -8.562  -0.727
   64   1HG   LYS   8          2HG       LYS   8   0.604 -10.268  -1.836
   65   2HG   LYS   8          1HG       LYS   8  -1.083 -10.661  -2.172
   66   1HD   LYS   8          2HD       LYS   8  -0.130 -10.806  -4.301
   67   2HD   LYS   8          1HD       LYS   8  -0.729  -9.147  -4.287
   68   1HE   LYS   8          2HE       LYS   8   1.427  -8.668  -4.939
   69   2HE   LYS   8          1HE       LYS   8   1.753  -8.791  -3.199
   70   1HZ   LYS   8          1HZ       LYS   8   1.797 -11.097  -5.068
   71   2HZ   LYS   8          2HZ       LYS   8   2.252 -11.102  -3.432
   72   3HZ   LYS   8          3HZ       LYS   8   3.185 -10.258  -4.573
   73    H    GLY   9           HN       GLY   9  -4.721  -8.138  -1.925
   74   1HA   GLY   9          2HA       GLY   9  -6.326  -8.762  -0.319
   75   2HA   GLY   9          1HA       GLY   9  -5.089  -9.764   0.448
   76    H    ARG  10           HN       ARG  10  -4.626  -6.344  -0.200
   77    HA   ARG  10           HA       ARG  10  -5.094  -5.660   2.665
   78   1HB   ARG  10          2HB       ARG  10  -2.513  -5.197   1.124
   79   2HB   ARG  10          1HB       ARG  10  -2.826  -4.690   2.784
   80   1HG   ARG  10          2HG       ARG  10  -3.214  -7.097   3.389
   81   2HG   ARG  10          1HG       ARG  10  -2.702  -7.540   1.759
   82   1HD   ARG  10          2HD       ARG  10  -0.488  -6.683   2.119
   83   2HD   ARG  10          1HD       ARG  10  -0.975  -5.886   3.628
   84    HE   ARG  10           HE       ARG  10  -1.413  -8.194   4.545
   85   1HH1  ARG  10          1HH1      ARG  10   1.358  -7.429   2.890
   86   2HH1  ARG  10          2HH1      ARG  10   1.856  -9.058   2.578
   87   1HH2  ARG  10          1HH2      ARG  10  -1.128 -10.458   3.656
   88   2HH2  ARG  10          2HH2      ARG  10   0.449 -10.773   3.011
   89    H    THR  11           HN       THR  11  -6.822  -4.253   1.896
   90    HA   THR  11           HA       THR  11  -6.483  -2.341  -0.222
   91    HB   THR  11           HB       THR  11  -8.273  -2.262   2.230
   92    HG1  THR  11           1HG      THR  11  -9.679  -3.421   1.005
   93   1HG2  THR  11          1HG2      THR  11  -9.209  -0.407   1.349
   94   2HG2  THR  11          2HG2      THR  11  -9.337  -1.161  -0.239
   95   3HG2  THR  11          3HG2      THR  11  -7.851  -0.331   0.224
   96    H    PHE  12           HN       PHE  12  -5.916  -0.072  -0.044
   97    HA   PHE  12           HA       PHE  12  -4.466   0.629   2.485
   98   1HB   PHE  12          2HB       PHE  12  -4.021   1.230  -0.450
   99   2HB   PHE  12          1HB       PHE  12  -3.225   2.174   0.822
  100    HD1  PHE  12           1HD      PHE  12  -1.504   1.178   2.252
  101    HD2  PHE  12           2HD      PHE  12  -3.600  -1.134  -0.711
  102    HE1  PHE  12           1HE      PHE  12   0.169  -0.646   2.484
  103    HE2  PHE  12           2HE      PHE  12  -1.939  -2.974  -0.449
  104    HZ   PHE  12           HZ       PHE  12  -0.055  -2.717   1.137
  105    H    ARG  13           HN       ARG  13  -5.387   2.227   3.646
  106    HA   ARG  13           HA       ARG  13  -7.164   4.205   2.252
  107   1HB   ARG  13          2HB       ARG  13  -7.239   2.810   4.928
  108   2HB   ARG  13          1HB       ARG  13  -8.128   4.312   4.675
  109   1HG   ARG  13          2HG       ARG  13  -9.552   3.361   3.089
  110   2HG   ARG  13          1HG       ARG  13  -8.415   2.070   2.696
  111   1HD   ARG  13          2HD       ARG  13 -10.161   1.041   3.994
  112   2HD   ARG  13          1HD       ARG  13  -8.789   1.229   5.105
  113    HE   ARG  13           HE       ARG  13  -9.882   3.298   5.955
  114   1HH1  ARG  13          1HH1      ARG  13 -11.748   3.043   3.376
  115   2HH1  ARG  13          2HH1      ARG  13 -13.262   2.787   4.177
  116   1HH2  ARG  13          1HH2      ARG  13 -11.822   2.154   7.268
  117   2HH2  ARG  13          2HH2      ARG  13 -13.304   2.284   6.380
  118    H    ASN  14           HN       ASN  14  -4.243   4.372   2.639
  119    HA   ASN  14           HA       ASN  14  -4.085   7.046   3.791
  120   1HB   ASN  14          2HB       ASN  14  -4.157   5.169   5.666
  121   2HB   ASN  14          1HB       ASN  14  -2.456   4.981   5.237
  122   1HD2  ASN  14          1HD2      ASN  14  -1.010   6.804   5.646
  123   2HD2  ASN  14          2HD2      ASN  14  -1.473   8.086   6.656
  124    H    GLU  15           HN       GLU  15  -2.470   8.052   2.673
  125    HA   GLU  15           HA       GLU  15  -0.841   6.759   0.728
  126   1HB   GLU  15          2HB       GLU  15  -1.543   9.310   1.411
  127   2HB   GLU  15          1HB       GLU  15   0.144   9.285   1.926
  128   1HG   GLU  15          2HG       GLU  15   0.679   8.292  -0.372
  129   2HG   GLU  15          1HG       GLU  15  -0.964   8.734  -0.833
  130    H    LYS  16           HN       LYS  16  -0.115   7.700   4.089
  131    HA   LYS  16           HA       LYS  16   2.655   7.221   4.139
  132   1HB   LYS  16          2HB       LYS  16   0.980   8.164   5.893
  133   2HB   LYS  16          1HB       LYS  16   0.810   6.482   6.392
  134   1HG   LYS  16          2HG       LYS  16   2.628   6.832   7.691
  135   2HG   LYS  16          1HG       LYS  16   3.564   6.797   6.197
  136   1HD   LYS  16          2HD       LYS  16   2.257   9.384   6.843
  137   2HD   LYS  16          1HD       LYS  16   3.578   8.903   7.907
  138   1HE   LYS  16          2HE       LYS  16   4.836   8.378   5.648
  139   2HE   LYS  16          1HE       LYS  16   3.653   9.509   4.963
  140   1HZ   LYS  16          1HZ       LYS  16   5.356  10.033   7.343
  141   2HZ   LYS  16          2HZ       LYS  16   4.228  11.110   6.670
  142   3HZ   LYS  16          3HZ       LYS  16   5.619  10.675   5.796
  143    H    GLU  17           HN       GLU  17  -0.003   4.985   4.618
  144    HA   GLU  17           HA       GLU  17   1.560   2.656   5.282
  145   1HB   GLU  17          2HB       GLU  17  -1.217   3.247   4.286
  146   2HB   GLU  17          1HB       GLU  17  -0.668   1.575   4.365
  147   1HG   GLU  17          2HG       GLU  17  -0.666   3.526   6.682
  148   2HG   GLU  17          1HG       GLU  17  -1.851   2.247   6.417
  149    H    LEU  18           HN       LEU  18  -0.319   3.198   2.313
  150    HA   LEU  18           HA       LEU  18   0.778   1.172   0.754
  151   1HB   LEU  18          2HB       LEU  18  -1.205   2.673   0.309
  152   2HB   LEU  18          1HB       LEU  18  -0.065   3.908  -0.229
  153    HG   LEU  18           HG       LEU  18   0.847   2.222  -1.867
  154   1HD1  LEU  18          1HD1      LEU  18  -0.323   0.311  -0.471
  155   2HD1  LEU  18          2HD1      LEU  18  -0.197   0.164  -2.212
  156   3HD1  LEU  18          3HD1      LEU  18  -1.707   0.699  -1.480
  157   1HD2  LEU  18          1HD2      LEU  18  -2.058   2.496  -2.473
  158   2HD2  LEU  18          2HD2      LEU  18  -0.661   2.909  -3.467
  159   3HD2  LEU  18          3HD2      LEU  18  -1.157   3.980  -2.157
  160    H    ARG  19           HN       ARG  19   1.948   4.584   0.822
  161    HA   ARG  19           HA       ARG  19   4.024   4.305  -1.077
  162   1HB   ARG  19          2HB       ARG  19   3.797   5.929   1.482
  163   2HB   ARG  19          1HB       ARG  19   5.074   6.183   0.291
  164   1HG   ARG  19          2HG       ARG  19   3.438   6.702  -1.430
  165   2HG   ARG  19          1HG       ARG  19   2.111   6.307  -0.337
  166   1HD   ARG  19          2HD       ARG  19   2.296   8.290   0.817
  167   2HD   ARG  19          1HD       ARG  19   4.058   8.357   0.619
  168    HE   ARG  19           HE       ARG  19   2.215   8.841  -1.688
  169   1HH1  ARG  19          1HH1      ARG  19   2.788  11.318  -0.236
  170   2HH1  ARG  19          2HH1      ARG  19   4.246  11.889  -0.975
  171   1HH2  ARG  19          1HH2      ARG  19   5.023   8.834  -2.420
  172   2HH2  ARG  19          2HH2      ARG  19   5.511  10.483  -2.213
  173    H    ASP  20           HN       ASP  20   3.924   3.330   2.327
  174    HA   ASP  20           HA       ASP  20   6.752   2.601   2.497
  175   1HB   ASP  20          2HB       ASP  20   5.343   3.214   4.451
  176   2HB   ASP  20          1HB       ASP  20   4.307   1.821   4.140
  177    H    PHE  21           HN       PHE  21   3.671   0.985   1.891
  178    HA   PHE  21           HA       PHE  21   4.569  -1.746   1.680
  179   1HB   PHE  21          2HB       PHE  21   2.232  -1.128   1.860
  180   2HB   PHE  21          1HB       PHE  21   2.313  -0.154   0.406
  181    HD1  PHE  21           1HD      PHE  21   2.103  -1.125  -1.774
  182    HD2  PHE  21           2HD      PHE  21   2.641  -3.570   1.714
  183    HE1  PHE  21           1HE      PHE  21   1.622  -3.165  -3.119
  184    HE2  PHE  21           2HE      PHE  21   2.141  -5.612   0.376
  185    HZ   PHE  21           HZ       PHE  21   1.637  -5.403  -2.046
  186    H    ILE  22           HN       ILE  22   3.686   0.539  -0.846
  187    HA   ILE  22           HA       ILE  22   4.489  -0.737  -3.181
  188    HB   ILE  22           HB       ILE  22   4.683   2.183  -2.366
  189   1HG1  ILE  22          2HG1      ILE  22   2.442   1.067  -2.120
  190   2HG1  ILE  22          1HG1      ILE  22   2.442   2.349  -3.327
  191   1HG2  ILE  22          1HG2      ILE  22   4.565   2.696  -4.757
  192   2HG2  ILE  22          2HG2      ILE  22   4.528   0.975  -5.140
  193   3HG2  ILE  22          3HG2      ILE  22   5.978   1.690  -4.436
  194   1HD1  ILE  22          1HD1      ILE  22   1.819  -0.442  -3.628
  195   2HD1  ILE  22          2HD1      ILE  22   3.164  -0.021  -4.684
  196   3HD1  ILE  22          3HD1      ILE  22   1.645   0.865  -4.798
  197    H    GLU  23           HN       GLU  23   6.491   0.897  -0.795
  198    HA   GLU  23           HA       GLU  23   8.952   0.835  -2.389
  199   1HB   GLU  23          2HB       GLU  23   8.145   2.378  -0.405
  200   2HB   GLU  23          1HB       GLU  23   8.806   1.092   0.607
  201   1HG   GLU  23          2HG       GLU  23  10.645   2.525   0.327
  202   2HG   GLU  23          1HG       GLU  23  10.913   1.301  -0.914
  203    H    LYS  24           HN       LYS  24   7.439  -1.119   0.149
  204    HA   LYS  24           HA       LYS  24   9.695  -2.910   0.544
  205   1HB   LYS  24          2HB       LYS  24   7.342  -2.306   1.827
  206   2HB   LYS  24          1HB       LYS  24   6.948  -3.863   1.100
  207   1HG   LYS  24          2HG       LYS  24   8.101  -4.896   2.735
  208   2HG   LYS  24          1HG       LYS  24   9.574  -4.110   2.172
  209   1HD   LYS  24          2HD       LYS  24   9.383  -2.357   3.709
  210   2HD   LYS  24          1HD       LYS  24   7.648  -2.598   3.919
  211   1HE   LYS  24          2HE       LYS  24   8.331  -3.630   5.865
  212   2HE   LYS  24          1HE       LYS  24   8.584  -5.013   4.781
  213   1HZ   LYS  24          1HZ       LYS  24  10.585  -2.953   5.546
  214   2HZ   LYS  24          2HZ       LYS  24  10.835  -4.116   4.333
  215   3HZ   LYS  24          3HZ       LYS  24  10.620  -4.605   5.943
  216    H    PHE  25           HN       PHE  25   6.735  -2.963  -1.432
  217    HA   PHE  25           HA       PHE  25   6.753  -5.575  -2.415
  218   1HB   PHE  25          2HB       PHE  25   4.945  -4.100  -2.892
  219   2HB   PHE  25          1HB       PHE  25   6.016  -2.898  -3.602
  220    HD1  PHE  25           1HD      PHE  25   5.730  -2.661  -5.874
  221    HD2  PHE  25           2HD      PHE  25   5.403  -6.579  -4.149
  222    HE1  PHE  25           1HE      PHE  25   5.372  -3.610  -8.130
  223    HE2  PHE  25           2HE      PHE  25   5.033  -7.539  -6.409
  224    HZ   PHE  25           HZ       PHE  25   5.016  -6.056  -8.400
  225    H    LYS  26           HN       LYS  26   7.693  -3.319  -4.902
  226    HA   LYS  26           HA       LYS  26  10.377  -4.501  -5.214
  227   1HB   LYS  26          2HB       LYS  26   8.049  -4.578  -7.135
  228   2HB   LYS  26          1HB       LYS  26   9.704  -4.933  -7.634
  229   1HG   LYS  26          2HG       LYS  26   8.161  -6.401  -5.479
  230   2HG   LYS  26          1HG       LYS  26   8.427  -6.993  -7.114
  231   1HD   LYS  26          2HD       LYS  26  10.916  -6.788  -6.684
  232   2HD   LYS  26          1HD       LYS  26  10.526  -6.480  -4.991
  233   1HE   LYS  26          2HE       LYS  26   9.451  -8.651  -4.777
  234   2HE   LYS  26          1HE       LYS  26   9.636  -8.954  -6.517
  235   1HZ   LYS  26          1HZ       LYS  26  11.449  -9.978  -5.304
  236   2HZ   LYS  26          2HZ       LYS  26  11.841  -8.494  -4.576
  237   3HZ   LYS  26          3HZ       LYS  26  12.041  -8.702  -6.251
  238    H    GLY  27           HN       GLY  27   8.105  -2.623  -7.141
  239   1HA   GLY  27          2HA       GLY  27   8.262  -0.551  -8.198
  240   2HA   GLY  27          1HA       GLY  27   9.170  -0.040  -6.774
  241    H    ARG  28           HN       ARG  28   9.867  -2.333  -9.441
  242    HA   ARG  28           HA       ARG  28  12.218  -0.679 -10.219
  243   1HB   ARG  28          2HB       ARG  28  12.777  -2.376  -8.394
  244   2HB   ARG  28          1HB       ARG  28  12.414  -3.634  -9.576
  245   1HG   ARG  28          2HG       ARG  28  14.251  -1.491 -10.494
  246   2HG   ARG  28          1HG       ARG  28  14.889  -2.569  -9.253
  247   1HD   ARG  28          2HD       ARG  28  13.557  -4.237 -11.133
  248   2HD   ARG  28          1HD       ARG  28  14.542  -3.098 -12.070
  249    HE   ARG  28           HE       ARG  28  15.656  -4.718  -9.808
  250   1HH1  ARG  28          1HH2      ARG  28  16.563  -2.309 -11.877
  251   2HH1  ARG  28          2HH2      ARG  28  17.878  -3.161 -12.615
  252   1HH2  ARG  28          1HH1      ARG  28  17.051  -6.211 -11.192
  253   2HH2  ARG  28          2HH1      ARG  28  18.154  -5.370 -12.228
  Start of MODEL   17
    1   1H    GLU   1          1HT       GLU   1 -10.108   8.065   6.413
    2   2H    GLU   1          2HT       GLU   1 -10.096   6.498   5.755
    3   3H    GLU   1          3HT       GLU   1 -11.360   6.982   6.782
    4    HA   GLU   1           HA       GLU   1 -12.217   7.062   4.572
    5   1HB   GLU   1          2HB       GLU   1 -12.742   8.866   6.208
    6   2HB   GLU   1          1HB       GLU   1 -11.388   9.805   5.577
    7   1HG   GLU   1          2HG       GLU   1 -13.047  10.699   4.262
    8   2HG   GLU   1          1HG       GLU   1 -12.656   9.299   3.261
    9    H    GLN   2           HN       GLN   2 -10.805   6.258   2.929
   10    HA   GLN   2           HA       GLN   2  -9.574   8.303   1.233
   11   1HB   GLN   2          2HB       GLN   2  -8.052   7.350   3.300
   12   2HB   GLN   2          1HB       GLN   2  -7.625   6.217   2.018
   13   1HG   GLN   2          2HG       GLN   2  -6.113   7.855   1.486
   14   2HG   GLN   2          1HG       GLN   2  -7.497   8.530   0.626
   15   1HE2  GLN   2          1HE2      GLN   2  -7.476  10.754   1.011
   16   2HE2  GLN   2          2HE2      GLN   2  -7.259  11.472   2.535
   17    H    TYR   3           HN       TYR   3  -8.248   6.979  -0.581
   18    HA   TYR   3           HA       TYR   3 -10.010   5.467  -2.100
   19   1HB   TYR   3          2HB       TYR   3  -7.872   4.632  -3.218
   20   2HB   TYR   3          1HB       TYR   3  -8.072   6.376  -3.085
   21    HD1  TYR   3           1HD      TYR   3  -6.248   7.573  -2.440
   22    HD2  TYR   3           2HD      TYR   3  -6.699   3.568  -0.946
   23    HE1  TYR   3           1HE      TYR   3  -4.119   7.787  -1.215
   24    HE2  TYR   3           2HE      TYR   3  -4.574   3.791   0.273
   25    HH   TYR   3           HH       TYR   3  -2.477   5.148   0.098
   26    H    THR   4           HN       THR   4  -9.860   3.149  -2.746
   27    HA   THR   4           HA       THR   4  -9.501   1.404  -0.339
   28    HB   THR   4           HB       THR   4 -11.055   0.822  -2.869
   29    HG1  THR   4           1HG      THR   4 -11.850   2.242  -0.549
   30   1HG2  THR   4          1HG2      THR   4 -11.171  -0.154  -0.007
   31   2HG2  THR   4          2HG2      THR   4 -10.756  -1.090  -1.443
   32   3HG2  THR   4          3HG2      THR   4 -12.408  -0.522  -1.208
   33    H    ALA   5           HN       ALA   5  -7.342   2.230  -2.232
   34    HA   ALA   5           HA       ALA   5  -6.590   0.445  -4.219
   35   1HB   ALA   5          1HB       ALA   5  -5.455   2.509  -2.892
   36   2HB   ALA   5          2HB       ALA   5  -4.538   1.438  -3.955
   37   3HB   ALA   5          3HB       ALA   5  -4.522   1.167  -2.207
   38    H    LYS   6           HN       LYS   6  -6.160  -1.738  -4.247
   39    HA   LYS   6           HA       LYS   6  -5.541  -3.063  -1.629
   40   1HB   LYS   6          2HB       LYS   6  -6.575  -5.081  -2.701
   41   2HB   LYS   6          1HB       LYS   6  -7.700  -3.742  -2.490
   42   1HG   LYS   6          2HG       LYS   6  -7.710  -3.220  -4.777
   43   2HG   LYS   6          1HG       LYS   6  -6.179  -4.041  -5.070
   44   1HD   LYS   6          2HD       LYS   6  -7.533  -5.698  -5.875
   45   2HD   LYS   6          1HD       LYS   6  -7.661  -6.127  -4.169
   46   1HE   LYS   6          2HE       LYS   6  -9.773  -5.076  -3.940
   47   2HE   LYS   6          1HE       LYS   6  -9.560  -4.136  -5.430
   48   1HZ   LYS   6          1HZ       LYS   6 -10.985  -6.131  -5.720
   49   2HZ   LYS   6          2HZ       LYS   6  -9.648  -7.105  -5.333
   50   3HZ   LYS   6          3HZ       LYS   6  -9.613  -6.131  -6.721
   51    H    TYR   7           HN       TYR   7  -3.772  -4.387  -1.540
   52    HA   TYR   7           HA       TYR   7  -2.207  -4.829  -4.061
   53   1HB   TYR   7          2HB       TYR   7  -1.278  -3.873  -1.346
   54   2HB   TYR   7          1HB       TYR   7  -0.188  -4.436  -2.593
   55    HD1  TYR   7           1HD      TYR   7   0.559  -3.021  -4.225
   56    HD2  TYR   7           2HD      TYR   7  -2.955  -2.033  -2.002
   57    HE1  TYR   7           1HE      TYR   7   0.532  -0.797  -5.290
   58    HE2  TYR   7           2HE      TYR   7  -3.020   0.204  -3.044
   59    HH   TYR   7           HH       TYR   7  -1.881   1.052  -5.605
   60    H    LYS   8           HN       LYS   8  -2.032  -7.021  -4.332
   61    HA   LYS   8           HA       LYS   8  -1.898  -9.333  -3.832
   62   1HB   LYS   8          2HB       LYS   8  -0.207  -7.832  -1.887
   63   2HB   LYS   8          1HB       LYS   8  -0.488  -9.539  -1.543
   64   1HG   LYS   8          2HG       LYS   8   0.482  -8.506  -4.221
   65   2HG   LYS   8          1HG       LYS   8   1.556  -9.100  -2.955
   66   1HD   LYS   8          2HD       LYS   8  -0.025 -11.202  -2.995
   67   2HD   LYS   8          1HD       LYS   8  -0.440 -10.617  -4.607
   68   1HE   LYS   8          2HE       LYS   8   2.193 -10.444  -4.884
   69   2HE   LYS   8          1HE       LYS   8   2.184 -11.662  -3.593
   70   1HZ   LYS   8          1HZ       LYS   8   0.479 -12.876  -4.907
   71   2HZ   LYS   8          2HZ       LYS   8   1.998 -12.803  -5.667
   72   3HZ   LYS   8          3HZ       LYS   8   0.737 -11.789  -6.184
   73    H    GLY   9           HN       GLY   9  -4.175  -7.655  -2.605
   74   1HA   GLY   9          2HA       GLY   9  -6.120  -8.551  -1.503
   75   2HA   GLY   9          1HA       GLY   9  -5.097  -9.762  -0.734
   76    H    ARG  10           HN       ARG  10  -4.516  -6.260  -0.827
   77    HA   ARG  10           HA       ARG  10  -5.192  -6.044   2.072
   78   1HB   ARG  10          2HB       ARG  10  -2.515  -5.385   0.793
   79   2HB   ARG  10          1HB       ARG  10  -2.940  -5.059   2.473
   80   1HG   ARG  10          2HG       ARG  10  -3.370  -7.512   2.780
   81   2HG   ARG  10          1HG       ARG  10  -2.764  -7.778   1.145
   82   1HD   ARG  10          2HD       ARG  10  -0.783  -8.078   2.305
   83   2HD   ARG  10          1HD       ARG  10  -0.714  -6.314   2.132
   84    HE   ARG  10           HE       ARG  10  -2.172  -7.366   4.475
   85   1HH1  ARG  10          1HH1      ARG  10   1.038  -7.368   3.856
   86   2HH1  ARG  10          2HH1      ARG  10   1.488  -6.172   5.025
   87   1HH2  ARG  10          1HH2      ARG  10  -1.776  -5.198   5.677
   88   2HH2  ARG  10          2HH2      ARG  10  -0.105  -4.944   6.058
   89    H    THR  11           HN       THR  11  -6.721  -4.397   1.867
   90    HA   THR  11           HA       THR  11  -6.623  -2.328  -0.124
   91    HB   THR  11           HB       THR  11  -8.056  -2.427   2.544
   92    HG1  THR  11           1HG      THR  11  -9.040  -4.012   1.602
   93   1HG2  THR  11          1HG2      THR  11  -9.719  -1.048   1.024
   94   2HG2  THR  11          2HG2      THR  11  -8.254  -0.679   0.111
   95   3HG2  THR  11          3HG2      THR  11  -8.367  -0.238   1.813
   96    H    PHE  12           HN       PHE  12  -6.417   0.050   0.413
   97    HA   PHE  12           HA       PHE  12  -4.555   0.580   2.695
   98   1HB   PHE  12          2HB       PHE  12  -4.255   1.179  -0.257
   99   2HB   PHE  12          1HB       PHE  12  -3.459   2.207   0.953
  100    HD1  PHE  12           1HD      PHE  12  -1.561   1.383   2.233
  101    HD2  PHE  12           2HD      PHE  12  -3.828  -1.187  -0.345
  102    HE1  PHE  12           1HE      PHE  12   0.188  -0.377   2.458
  103    HE2  PHE  12           2HE      PHE  12  -2.118  -2.955  -0.077
  104    HZ   PHE  12           HZ       PHE  12  -0.101  -2.553   1.306
  105    H    ARG  13           HN       ARG  13  -5.520   2.045   3.981
  106    HA   ARG  13           HA       ARG  13  -7.306   4.121   2.755
  107   1HB   ARG  13          2HB       ARG  13  -7.197   2.868   5.524
  108   2HB   ARG  13          1HB       ARG  13  -8.336   4.124   5.040
  109   1HG   ARG  13          2HG       ARG  13  -9.659   2.655   3.931
  110   2HG   ARG  13          1HG       ARG  13  -8.283   1.850   3.181
  111   1HD   ARG  13          2HD       ARG  13  -9.398   0.252   4.653
  112   2HD   ARG  13          1HD       ARG  13  -7.854   0.704   5.403
  113    HE   ARG  13           HE       ARG  13  -9.269   2.484   6.642
  114   1HH1  ARG  13          1HH1      ARG  13 -11.449   0.629   5.034
  115   2HH1  ARG  13          2HH1      ARG  13 -12.267   0.005   6.427
  116   1HH2  ARG  13          1HH2      ARG  13  -9.899   1.178   8.672
  117   2HH2  ARG  13          2HH2      ARG  13 -11.390   0.319   8.487
  118    H    ASN  14           HN       ASN  14  -4.378   4.275   2.949
  119    HA   ASN  14           HA       ASN  14  -4.152   6.857   4.329
  120   1HB   ASN  14          2HB       ASN  14  -3.935   5.316   6.189
  121   2HB   ASN  14          1HB       ASN  14  -2.774   4.329   5.300
  122   1HD2  ASN  14          1HD2      ASN  14  -3.183   7.723   6.416
  123   2HD2  ASN  14          2HD2      ASN  14  -1.544   7.959   6.798
  124    H    GLU  15           HN       GLU  15  -2.397   8.028   3.513
  125    HA   GLU  15           HA       GLU  15  -1.194   7.119   1.031
  126   1HB   GLU  15          2HB       GLU  15  -1.873   9.475   1.783
  127   2HB   GLU  15          1HB       GLU  15  -0.396   9.479   2.748
  128   1HG   GLU  15          2HG       GLU  15   0.879   8.916   0.638
  129   2HG   GLU  15          1HG       GLU  15  -0.616   9.189  -0.258
  130    H    LYS  16           HN       LYS  16   0.178   7.885   4.258
  131    HA   LYS  16           HA       LYS  16   2.862   7.292   3.798
  132   1HB   LYS  16          2HB       LYS  16   1.107   6.810   6.208
  133   2HB   LYS  16          1HB       LYS  16   2.869   6.751   6.261
  134   1HG   LYS  16          2HG       LYS  16   2.980   9.081   5.461
  135   2HG   LYS  16          1HG       LYS  16   1.219   9.146   5.398
  136   1HD   LYS  16          2HD       LYS  16   1.000   9.260   7.682
  137   2HD   LYS  16          1HD       LYS  16   2.439   8.282   7.973
  138   1HE   LYS  16          2HE       LYS  16   2.922  10.924   6.695
  139   2HE   LYS  16          1HE       LYS  16   2.400  10.958   8.392
  140   1HZ   LYS  16          1HZ       LYS  16   4.799  10.694   8.248
  141   2HZ   LYS  16          2HZ       LYS  16   4.611   9.308   7.284
  142   3HZ   LYS  16          3HZ       LYS  16   4.090   9.297   8.902
  143    H    GLU  17           HN       GLU  17   0.285   5.055   4.643
  144    HA   GLU  17           HA       GLU  17   1.831   2.671   4.931
  145   1HB   GLU  17          2HB       GLU  17  -1.010   3.356   4.209
  146   2HB   GLU  17          1HB       GLU  17  -0.481   1.675   4.158
  147   1HG   GLU  17          2HG       GLU  17  -0.197   3.500   6.562
  148   2HG   GLU  17          1HG       GLU  17  -1.468   2.296   6.357
  149    H    LEU  18           HN       LEU  18  -0.123   3.672   2.105
  150    HA   LEU  18           HA       LEU  18   0.816   1.704   0.296
  151   1HB   LEU  18          2HB       LEU  18  -1.105   3.520   0.241
  152   2HB   LEU  18          1HB       LEU  18   0.117   4.502  -0.565
  153    HG   LEU  18           HG       LEU  18   0.416   2.726  -2.256
  154   1HD1  LEU  18          1HD1      LEU  18  -0.793   1.076  -0.378
  155   2HD1  LEU  18          2HD1      LEU  18  -0.476   0.637  -2.036
  156   3HD1  LEU  18          3HD1      LEU  18  -2.049   1.277  -1.580
  157   1HD2  LEU  18          1HD2      LEU  18  -2.200   4.058  -1.752
  158   2HD2  LEU  18          2HD2      LEU  18  -2.148   2.845  -3.031
  159   3HD2  LEU  18          3HD2      LEU  18  -1.084   4.249  -3.105
  160    H    ARG  19           HN       ARG  19   2.055   5.004   0.873
  161    HA   ARG  19           HA       ARG  19   4.107   4.982  -1.112
  162   1HB   ARG  19          2HB       ARG  19   3.756   6.353   1.563
  163   2HB   ARG  19          1HB       ARG  19   5.120   6.704   0.500
  164   1HG   ARG  19          2HG       ARG  19   3.347   7.088  -1.338
  165   2HG   ARG  19          1HG       ARG  19   2.183   7.158  -0.015
  166   1HD   ARG  19          2HD       ARG  19   2.963   9.185   0.738
  167   2HD   ARG  19          1HD       ARG  19   4.646   8.806   0.315
  168    HE   ARG  19           HE       ARG  19   2.558   9.617  -1.672
  169   1HH1  ARG  19          1HH2      ARG  19   5.154  11.066  -0.526
  170   2HH1  ARG  19          2HH2      ARG  19   6.135  11.011  -1.952
  171   1HH2  ARG  19          1HH1      ARG  19   4.104   8.720  -3.582
  172   2HH2  ARG  19          2HH1      ARG  19   5.540   9.683  -3.683
  173    H    ASP  20           HN       ASP  20   3.878   3.334   1.952
  174    HA   ASP  20           HA       ASP  20   6.802   2.761   1.985
  175   1HB   ASP  20          2HB       ASP  20   5.434   3.590   3.985
  176   2HB   ASP  20          1HB       ASP  20   4.670   2.000   3.995
  177    H    PHE  21           HN       PHE  21   3.668   1.246   1.429
  178    HA   PHE  21           HA       PHE  21   4.522  -1.506   1.697
  179   1HB   PHE  21          2HB       PHE  21   2.191  -0.767   1.797
  180   2HB   PHE  21          1HB       PHE  21   2.239  -0.263   0.120
  181    HD1  PHE  21           1HD      PHE  21   2.125  -1.879  -1.678
  182    HD2  PHE  21           2HD      PHE  21   2.572  -3.125   2.398
  183    HE1  PHE  21           1HE      PHE  21   1.725  -4.232  -2.357
  184    HE2  PHE  21           2HE      PHE  21   2.141  -5.486   1.733
  185    HZ   PHE  21           HZ       PHE  21   1.724  -6.036  -0.652
  186    H    ILE  22           HN       ILE  22   3.459  -0.004  -1.349
  187    HA   ILE  22           HA       ILE  22   4.601  -1.770  -3.171
  188    HB   ILE  22           HB       ILE  22   4.216   1.234  -3.353
  189   1HG1  ILE  22          2HG1      ILE  22   2.248  -0.054  -4.806
  190   2HG1  ILE  22          1HG1      ILE  22   2.466  -1.133  -3.434
  191   1HG2  ILE  22          1HG2      ILE  22   4.205   0.915  -5.771
  192   2HG2  ILE  22          2HG2      ILE  22   4.435  -0.821  -5.570
  193   3HG2  ILE  22          3HG2      ILE  22   5.727   0.295  -5.129
  194   1HD1  ILE  22          1HD1      ILE  22   1.483   0.304  -2.019
  195   2HD1  ILE  22          2HD1      ILE  22   0.926   1.163  -3.456
  196   3HD1  ILE  22          3HD1      ILE  22   2.405   1.675  -2.640
  197    H    GLU  23           HN       GLU  23   6.135   0.903  -1.463
  198    HA   GLU  23           HA       GLU  23   8.626   0.895  -2.958
  199   1HB   GLU  23          2HB       GLU  23   7.657   1.946  -0.296
  200   2HB   GLU  23          1HB       GLU  23   9.347   2.117  -0.771
  201   1HG   GLU  23          2HG       GLU  23   8.258   3.019  -3.026
  202   2HG   GLU  23          1HG       GLU  23   6.910   3.390  -1.948
  203    H    LYS  24           HN       LYS  24   7.399  -0.817  -0.132
  204    HA   LYS  24           HA       LYS  24  10.012  -2.058   0.459
  205   1HB   LYS  24          2HB       LYS  24   8.369  -1.346   2.202
  206   2HB   LYS  24          1HB       LYS  24   7.221  -2.525   1.568
  207   1HG   LYS  24          2HG       LYS  24   8.349  -4.306   2.458
  208   2HG   LYS  24          1HG       LYS  24   9.928  -3.565   2.204
  209   1HD   LYS  24          2HD       LYS  24   9.953  -2.614   4.266
  210   2HD   LYS  24          1HD       LYS  24   8.255  -2.150   4.175
  211   1HE   LYS  24          2HE       LYS  24   7.598  -3.984   5.344
  212   2HE   LYS  24          1HE       LYS  24   8.617  -5.061   4.371
  213   1HZ   LYS  24          1HZ       LYS  24   9.683  -3.195   6.420
  214   2HZ   LYS  24          2HZ       LYS  24  10.532  -4.411   5.597
  215   3HZ   LYS  24          3HZ       LYS  24   9.341  -4.830   6.733
  216    H    PHE  25           HN       PHE  25   6.770  -3.114  -0.645
  217    HA   PHE  25           HA       PHE  25   7.753  -5.781  -1.306
  218   1HB   PHE  25          2HB       PHE  25   5.526  -5.357  -0.310
  219   2HB   PHE  25          1HB       PHE  25   5.084  -4.409  -1.730
  220    HD1  PHE  25           1HD      PHE  25   3.636  -5.549  -3.133
  221    HD2  PHE  25           2HD      PHE  25   6.792  -7.712  -1.189
  222    HE1  PHE  25           1HE      PHE  25   2.939  -7.619  -4.310
  223    HE2  PHE  25           2HE      PHE  25   6.097  -9.785  -2.362
  224    HZ   PHE  25           HZ       PHE  25   4.169  -9.737  -3.924
  225    H    LYS  26           HN       LYS  26   9.262  -4.113  -2.817
  226    HA   LYS  26           HA       LYS  26   8.402  -3.082  -5.248
  227   1HB   LYS  26          2HB       LYS  26  10.705  -3.679  -6.030
  228   2HB   LYS  26          1HB       LYS  26  10.675  -2.897  -4.458
  229   1HG   LYS  26          2HG       LYS  26  10.682  -5.286  -3.481
  230   2HG   LYS  26          1HG       LYS  26  11.136  -5.807  -5.102
  231   1HD   LYS  26          2HD       LYS  26  13.065  -4.233  -5.034
  232   2HD   LYS  26          1HD       LYS  26  12.637  -3.821  -3.372
  233   1HE   LYS  26          2HE       LYS  26  12.878  -6.729  -3.924
  234   2HE   LYS  26          1HE       LYS  26  14.393  -5.805  -3.986
  235   1HZ   LYS  26          1HZ       LYS  26  13.825  -6.530  -1.713
  236   2HZ   LYS  26          2HZ       LYS  26  12.391  -5.623  -1.797
  237   3HZ   LYS  26          3HZ       LYS  26  13.894  -4.839  -1.856
  238    H    GLY  27           HN       GLY  27   9.264  -6.431  -4.630
  239   1HA   GLY  27          2HA       GLY  27   8.595  -8.415  -5.708
  240   2HA   GLY  27          1HA       GLY  27   7.378  -7.464  -6.560
  241    H    ARG  28           HN       ARG  28  10.886  -8.114  -6.534
  242    HA   ARG  28           HA       ARG  28  10.851  -7.984  -9.520
  243   1HB   ARG  28          2HB       ARG  28  11.633  -5.871  -8.073
  244   2HB   ARG  28          1HB       ARG  28  13.139  -6.787  -8.013
  245   1HG   ARG  28          2HG       ARG  28  13.444  -5.567  -9.970
  246   2HG   ARG  28          1HG       ARG  28  12.729  -7.050 -10.606
  247   1HD   ARG  28          2HD       ARG  28  11.493  -5.268 -11.625
  248   2HD   ARG  28          1HD       ARG  28  10.449  -5.857 -10.316
  249    HE   ARG  28           HE       ARG  28  12.344  -3.652  -9.695
  250   1HH1  ARG  28          1HH2      ARG  28   9.655  -4.954  -8.464
  251   2HH1  ARG  28          2HH2      ARG  28   8.658  -3.539  -8.518
  252   1HH2  ARG  28          1HH1      ARG  28  10.844  -1.752 -10.532
  253   2HH2  ARG  28          2HH1      ARG  28   9.331  -1.726  -9.689
  Start of MODEL   18
    1   1H    GLU   1          1HT       GLU   1 -14.554   7.610   2.767
    2   2H    GLU   1          2HT       GLU   1 -14.383   9.022   3.697
    3   3H    GLU   1          3HT       GLU   1 -15.160   7.660   4.351
    4    HA   GLU   1           HA       GLU   1 -12.823   7.999   5.151
    5   1HB   GLU   1          2HB       GLU   1 -12.373   5.558   4.870
    6   2HB   GLU   1          1HB       GLU   1 -14.050   5.883   5.300
    7   1HG   GLU   1          2HG       GLU   1 -14.847   5.206   3.261
    8   2HG   GLU   1          1HG       GLU   1 -13.441   5.818   2.391
    9    H    GLN   2           HN       GLN   2 -10.730   6.509   4.188
   10    HA   GLN   2           HA       GLN   2  -9.606   8.234   2.124
   11   1HB   GLN   2          2HB       GLN   2  -8.787   6.031   3.931
   12   2HB   GLN   2          1HB       GLN   2  -7.866   6.149   2.432
   13   1HG   GLN   2          2HG       GLN   2  -6.648   7.670   3.630
   14   2HG   GLN   2          1HG       GLN   2  -7.939   8.765   3.135
   15   1HE2  GLN   2          1HE2      GLN   2  -6.227   7.928   5.823
   16   2HE2  GLN   2          2HE2      GLN   2  -7.398   8.207   7.020
   17    H    TYR   3           HN       TYR   3  -8.269   6.806   0.354
   18    HA   TYR   3           HA       TYR   3 -10.249   5.750  -1.448
   19   1HB   TYR   3          2HB       TYR   3  -8.291   5.367  -2.884
   20   2HB   TYR   3          1HB       TYR   3  -8.201   6.950  -2.115
   21    HD1  TYR   3           1HD      TYR   3  -6.393   7.513  -0.686
   22    HD2  TYR   3           2HD      TYR   3  -7.020   3.432  -1.847
   23    HE1  TYR   3           1HE      TYR   3  -4.218   6.889   0.307
   24    HE2  TYR   3           2HE      TYR   3  -4.871   2.814  -0.872
   25    HH   TYR   3           HH       TYR   3  -2.538   5.136   0.109
   26    H    THR   4           HN       THR   4  -9.273   3.499  -2.596
   27    HA   THR   4           HA       THR   4  -9.487   1.479  -0.401
   28    HB   THR   4           HB       THR   4 -10.092   1.332  -3.373
   29    HG1  THR   4           1HG      THR   4 -12.090   1.796  -2.823
   30   1HG2  THR   4          1HG2      THR   4 -10.581  -0.625  -1.112
   31   2HG2  THR   4          2HG2      THR   4  -9.506  -0.861  -2.490
   32   3HG2  THR   4          3HG2      THR   4 -11.251  -0.785  -2.735
   33    H    ALA   5           HN       ALA   5  -8.155   1.338  -3.708
   34    HA   ALA   5           HA       ALA   5  -6.235   0.319  -4.566
   35   1HB   ALA   5          1HB       ALA   5  -5.626   2.355  -2.789
   36   2HB   ALA   5          2HB       ALA   5  -4.550   1.651  -3.988
   37   3HB   ALA   5          3HB       ALA   5  -4.537   1.043  -2.333
   38    H    LYS   6           HN       LYS   6  -6.141  -1.822  -4.556
   39    HA   LYS   6           HA       LYS   6  -5.411  -3.241  -2.015
   40   1HB   LYS   6          2HB       LYS   6  -6.579  -5.200  -3.066
   41   2HB   LYS   6          1HB       LYS   6  -7.653  -3.834  -2.764
   42   1HG   LYS   6          2HG       LYS   6  -7.644  -3.189  -5.056
   43   2HG   LYS   6          1HG       LYS   6  -6.283  -4.249  -5.424
   44   1HD   LYS   6          2HD       LYS   6  -8.005  -6.085  -4.457
   45   2HD   LYS   6          1HD       LYS   6  -9.164  -4.914  -5.087
   46   1HE   LYS   6          2HE       LYS   6  -7.978  -4.966  -7.288
   47   2HE   LYS   6          1HE       LYS   6  -6.914  -6.234  -6.647
   48   1HZ   LYS   6          1HZ       LYS   6  -9.876  -6.334  -6.869
   49   2HZ   LYS   6          2HZ       LYS   6  -8.944  -7.495  -6.051
   50   3HZ   LYS   6          3HZ       LYS   6  -8.759  -7.286  -7.724
   51    H    TYR   7           HN       TYR   7  -3.678  -4.670  -2.154
   52    HA   TYR   7           HA       TYR   7  -2.246  -4.763  -4.789
   53   1HB   TYR   7          2HB       TYR   7  -1.301  -4.347  -1.947
   54   2HB   TYR   7          1HB       TYR   7  -0.191  -4.739  -3.265
   55    HD1  TYR   7           1HD      TYR   7   0.611  -3.053  -4.659
   56    HD2  TYR   7           2HD      TYR   7  -2.922  -2.370  -2.336
   57    HE1  TYR   7           1HE      TYR   7   0.606  -0.690  -5.381
   58    HE2  TYR   7           2HE      TYR   7  -2.956   0.003  -3.052
   59    HH   TYR   7           HH       TYR   7  -2.069   1.331  -5.021
   60    H    LYS   8           HN       LYS   8  -1.515  -6.369  -1.697
   61    HA   LYS   8           HA       LYS   8  -1.800  -9.013  -3.087
   62   1HB   LYS   8          2HB       LYS   8   0.372  -7.793  -1.827
   63   2HB   LYS   8          1HB       LYS   8  -0.233  -8.905  -0.601
   64   1HG   LYS   8          2HG       LYS   8   0.367  -9.684  -3.470
   65   2HG   LYS   8          1HG       LYS   8   1.466  -9.947  -2.117
   66   1HD   LYS   8          2HD       LYS   8  -1.264 -10.928  -1.611
   67   2HD   LYS   8          1HD       LYS   8  -0.469 -11.732  -2.963
   68   1HE   LYS   8          2HE       LYS   8   0.109 -12.980  -0.975
   69   2HE   LYS   8          1HE       LYS   8   1.552 -12.044  -1.412
   70   1HZ   LYS   8          1HZ       LYS   8  -0.546 -11.073   0.450
   71   2HZ   LYS   8          2HZ       LYS   8   0.953 -10.343   0.122
   72   3HZ   LYS   8          3HZ       LYS   8   0.888 -11.818   0.963
   73    H    GLY   9           HN       GLY   9  -4.172  -8.224  -2.245
   74   1HA   GLY   9          2HA       GLY   9  -5.963  -8.950  -0.894
   75   2HA   GLY   9          1HA       GLY   9  -4.826  -9.989  -0.029
   76    H    ARG  10           HN       ARG  10  -4.291  -6.547  -0.454
   77    HA   ARG  10           HA       ARG  10  -5.068  -6.014   2.383
   78   1HB   ARG  10          2HB       ARG  10  -2.388  -5.372   1.093
   79   2HB   ARG  10          1HB       ARG  10  -2.856  -4.988   2.749
   80   1HG   ARG  10          2HG       ARG  10  -3.122  -7.401   3.236
   81   2HG   ARG  10          1HG       ARG  10  -2.618  -7.781   1.589
   82   1HD   ARG  10          2HD       ARG  10  -0.630  -8.004   2.893
   83   2HD   ARG  10          1HD       ARG  10  -0.483  -6.404   2.138
   84    HE   ARG  10           HE       ARG  10  -1.475  -5.479   4.284
   85   1HH1  ARG  10          1HH2      ARG  10   1.076  -7.591   4.199
   86   2HH1  ARG  10          2HH2      ARG  10   1.001  -8.060   5.865
   87   1HH2  ARG  10          1HH1      ARG  10  -2.045  -6.503   6.439
   88   2HH2  ARG  10          2HH1      ARG  10  -0.766  -7.443   7.133
   89    H    THR  11           HN       THR  11  -6.720  -4.520   1.726
   90    HA   THR  11           HA       THR  11  -6.374  -2.569  -0.362
   91    HB   THR  11           HB       THR  11  -8.145  -2.472   2.105
   92    HG1  THR  11           1HG      THR  11  -8.736  -4.296   1.150
   93   1HG2  THR  11          1HG2      THR  11  -9.618  -1.143   0.563
   94   2HG2  THR  11          2HG2      THR  11  -8.314  -1.158  -0.625
   95   3HG2  THR  11          3HG2      THR  11  -8.087  -0.343   0.922
   96    H    PHE  12           HN       PHE  12  -6.268  -0.160   0.111
   97    HA   PHE  12           HA       PHE  12  -4.586   0.445   2.516
   98   1HB   PHE  12          2HB       PHE  12  -4.217   1.023  -0.425
   99   2HB   PHE  12          1HB       PHE  12  -3.449   2.056   0.798
  100    HD1  PHE  12           1HD      PHE  12  -1.700   1.173   2.287
  101    HD2  PHE  12           2HD      PHE  12  -3.632  -1.292  -0.663
  102    HE1  PHE  12           1HE      PHE  12   0.060  -0.563   2.580
  103    HE2  PHE  12           2HE      PHE  12  -1.887  -3.044  -0.341
  104    HZ   PHE  12           HZ       PHE  12  -0.045  -2.667   1.270
  105    H    ARG  13           HN       ARG  13  -5.121   2.332   3.570
  106    HA   ARG  13           HA       ARG  13  -7.122   4.163   2.289
  107   1HB   ARG  13          2HB       ARG  13  -7.146   2.653   4.880
  108   2HB   ARG  13          1HB       ARG  13  -7.902   4.247   4.840
  109   1HG   ARG  13          2HG       ARG  13  -9.599   3.561   3.460
  110   2HG   ARG  13          1HG       ARG  13  -8.568   2.423   2.589
  111   1HD   ARG  13          2HD       ARG  13  -8.668   0.841   4.457
  112   2HD   ARG  13          1HD       ARG  13  -9.621   1.995   5.410
  113    HE   ARG  13           HE       ARG  13 -10.595   0.971   2.772
  114   1HH1  ARG  13          1HH1      ARG  13 -11.482   2.879   5.331
  115   2HH1  ARG  13          2HH1      ARG  13 -12.950   2.039   5.703
  116   1HH2  ARG  13          1HH2      ARG  13 -12.284  -0.616   3.574
  117   2HH2  ARG  13          2HH2      ARG  13 -13.406   0.061   4.707
  118    H    ASN  14           HN       ASN  14  -4.246   4.480   2.476
  119    HA   ASN  14           HA       ASN  14  -4.099   7.115   3.696
  120   1HB   ASN  14          2HB       ASN  14  -4.020   5.790   5.724
  121   2HB   ASN  14          1HB       ASN  14  -2.811   4.710   5.035
  122   1HD2  ASN  14          1HD2      ASN  14  -3.268   8.191   5.815
  123   2HD2  ASN  14          2HD2      ASN  14  -1.653   8.461   6.265
  124    H    GLU  15           HN       GLU  15  -2.424   8.227   2.727
  125    HA   GLU  15           HA       GLU  15  -0.979   7.082   0.521
  126   1HB   GLU  15          2HB       GLU  15  -1.478   9.622   1.710
  127   2HB   GLU  15          1HB       GLU  15   0.273   9.459   1.604
  128   1HG   GLU  15          2HG       GLU  15   0.151   9.001  -0.771
  129   2HG   GLU  15          1HG       GLU  15  -1.611   8.934  -0.711
  130    H    LYS  16           HN       LYS  16   0.133   8.086   3.774
  131    HA   LYS  16           HA       LYS  16   2.832   7.357   3.593
  132   1HB   LYS  16          2HB       LYS  16   0.782   7.694   5.699
  133   2HB   LYS  16          1HB       LYS  16   2.227   6.803   6.179
  134   1HG   LYS  16          2HG       LYS  16   3.635   8.667   5.312
  135   2HG   LYS  16          1HG       LYS  16   2.168   9.569   4.932
  136   1HD   LYS  16          2HD       LYS  16   1.592   9.069   7.470
  137   2HD   LYS  16          1HD       LYS  16   3.344   8.904   7.605
  138   1HE   LYS  16          2HE       LYS  16   3.723  11.145   6.907
  139   2HE   LYS  16          1HE       LYS  16   2.075  11.308   6.269
  140   1HZ   LYS  16          1HZ       LYS  16   2.727  10.784   9.119
  141   2HZ   LYS  16          2HZ       LYS  16   1.188  11.072   8.469
  142   3HZ   LYS  16          3HZ       LYS  16   2.344  12.317   8.495
  143    H    GLU  17           HN       GLU  17   0.111   5.382   4.625
  144    HA   GLU  17           HA       GLU  17   1.405   2.969   5.304
  145   1HB   GLU  17          2HB       GLU  17  -1.259   3.784   4.211
  146   2HB   GLU  17          1HB       GLU  17  -0.877   2.067   4.214
  147   1HG   GLU  17          2HG       GLU  17  -0.787   3.889   6.632
  148   2HG   GLU  17          1HG       GLU  17  -2.056   2.721   6.263
  149    H    LEU  18           HN       LEU  18  -0.287   3.453   2.220
  150    HA   LEU  18           HA       LEU  18   0.813   1.266   0.850
  151   1HB   LEU  18          2HB       LEU  18  -1.168   2.736   0.275
  152   2HB   LEU  18          1HB       LEU  18  -0.020   3.922  -0.342
  153    HG   LEU  18           HG       LEU  18   0.898   2.117  -1.844
  154   1HD1  LEU  18          1HD1      LEU  18  -0.285   0.316  -0.321
  155   2HD1  LEU  18          2HD1      LEU  18  -0.147   0.037  -2.048
  156   3HD1  LEU  18          3HD1      LEU  18  -1.662   0.626  -1.366
  157   1HD2  LEU  18          1HD2      LEU  18  -1.928   2.240  -2.653
  158   2HD2  LEU  18          2HD2      LEU  18  -0.497   2.872  -3.466
  159   3HD2  LEU  18          3HD2      LEU  18  -1.263   3.804  -2.183
  160    H    ARG  19           HN       ARG  19   1.971   4.679   0.740
  161    HA   ARG  19           HA       ARG  19   4.091   4.317  -1.094
  162   1HB   ARG  19          2HB       ARG  19   3.694   6.078   1.336
  163   2HB   ARG  19          1HB       ARG  19   5.126   6.227   0.318
  164   1HG   ARG  19          2HG       ARG  19   3.392   6.326  -1.646
  165   2HG   ARG  19          1HG       ARG  19   2.254   6.774  -0.373
  166   1HD   ARG  19          2HD       ARG  19   3.172   8.837  -1.236
  167   2HD   ARG  19          1HD       ARG  19   3.962   8.557   0.329
  168    HE   ARG  19           HE       ARG  19   5.936   7.747  -0.867
  169   1HH1  ARG  19          1HH1      ARG  19   5.240  10.425  -2.169
  170   2HH1  ARG  19          2HH1      ARG  19   5.410  10.030  -3.847
  171   1HH2  ARG  19          1HH2      ARG  19   5.360   6.603  -3.317
  172   2HH2  ARG  19          2HH2      ARG  19   5.478   7.867  -4.496
  173    H    ASP  20           HN       ASP  20   3.895   3.476   2.330
  174    HA   ASP  20           HA       ASP  20   6.725   2.759   2.604
  175   1HB   ASP  20          2HB       ASP  20   4.188   2.666   4.188
  176   2HB   ASP  20          1HB       ASP  20   5.457   1.532   4.656
  177    H    PHE  21           HN       PHE  21   3.639   1.139   2.049
  178    HA   PHE  21           HA       PHE  21   4.493  -1.609   2.017
  179   1HB   PHE  21          2HB       PHE  21   2.164  -0.950   2.095
  180   2HB   PHE  21          1HB       PHE  21   2.299  -0.047   0.600
  181    HD1  PHE  21           1HD      PHE  21   2.086  -1.117  -1.536
  182    HD2  PHE  21           2HD      PHE  21   2.548  -3.407   2.071
  183    HE1  PHE  21           1HE      PHE  21   1.597  -3.211  -2.791
  184    HE2  PHE  21           2HE      PHE  21   2.040  -5.502   0.819
  185    HZ   PHE  21           HZ       PHE  21   1.571  -5.396  -1.616
  186    H    ILE  22           HN       ILE  22   3.717   0.525  -0.667
  187    HA   ILE  22           HA       ILE  22   4.534  -0.888  -2.906
  188    HB   ILE  22           HB       ILE  22   4.813   2.064  -2.243
  189   1HG1  ILE  22          2HG1      ILE  22   2.532   1.028  -1.991
  190   2HG1  ILE  22          1HG1      ILE  22   2.597   2.257  -3.247
  191   1HG2  ILE  22          1HG2      ILE  22   4.750   2.450  -4.663
  192   2HG2  ILE  22          2HG2      ILE  22   4.677   0.710  -4.949
  193   3HG2  ILE  22          3HG2      ILE  22   6.131   1.430  -4.254
  194   1HD1  ILE  22          1HD1      ILE  22   1.877  -0.517  -3.442
  195   2HD1  ILE  22          2HD1      ILE  22   3.260  -0.197  -4.486
  196   3HD1  ILE  22          3HD1      ILE  22   1.780   0.741  -4.672
  197    H    GLU  23           HN       GLU  23   6.549   0.804  -0.573
  198    HA   GLU  23           HA       GLU  23   9.029   0.760  -2.065
  199   1HB   GLU  23          2HB       GLU  23   8.410   2.179  -0.058
  200   2HB   GLU  23          1HB       GLU  23   8.595   0.736   0.938
  201   1HG   GLU  23          2HG       GLU  23  10.745   1.506   1.125
  202   2HG   GLU  23          1HG       GLU  23  10.936   0.647  -0.403
  203    H    LYS  24           HN       LYS  24   7.710  -1.368   0.493
  204    HA   LYS  24           HA       LYS  24   9.899  -3.260   0.419
  205   1HB   LYS  24          2HB       LYS  24   7.946  -2.737   2.145
  206   2HB   LYS  24          1HB       LYS  24   7.099  -3.980   1.227
  207   1HG   LYS  24          2HG       LYS  24   8.153  -5.445   2.604
  208   2HG   LYS  24          1HG       LYS  24   9.568  -5.141   1.598
  209   1HD   LYS  24          2HD       LYS  24  10.029  -3.144   3.164
  210   2HD   LYS  24          1HD       LYS  24   8.857  -3.890   4.252
  211   1HE   LYS  24          2HE       LYS  24  10.230  -6.040   4.061
  212   2HE   LYS  24          1HE       LYS  24  11.485  -5.049   3.287
  213   1HZ   LYS  24          1HZ       LYS  24  10.275  -4.636   5.968
  214   2HZ   LYS  24          2HZ       LYS  24  11.278  -3.499   5.201
  215   3HZ   LYS  24          3HZ       LYS  24  11.889  -5.026   5.626
  216    H    PHE  25           HN       PHE  25   6.567  -3.395  -0.881
  217    HA   PHE  25           HA       PHE  25   7.255  -5.714  -2.538
  218   1HB   PHE  25          2HB       PHE  25   5.171  -5.593  -1.202
  219   2HB   PHE  25          1HB       PHE  25   4.682  -4.170  -2.120
  220    HD1  PHE  25           1HD      PHE  25   3.125  -4.569  -3.780
  221    HD2  PHE  25           2HD      PHE  25   6.045  -7.589  -2.893
  222    HE1  PHE  25           1HE      PHE  25   2.149  -6.027  -5.534
  223    HE2  PHE  25           2HE      PHE  25   5.069  -9.048  -4.645
  224    HZ   PHE  25           HZ       PHE  25   3.121  -8.266  -5.966
  225    H    LYS  26           HN       LYS  26   8.812  -4.006  -3.685
  226    HA   LYS  26           HA       LYS  26   7.916  -1.928  -5.345
  227   1HB   LYS  26          2HB       LYS  26  10.101  -3.990  -5.622
  228   2HB   LYS  26          1HB       LYS  26   9.942  -2.638  -6.743
  229   1HG   LYS  26          2HG       LYS  26  10.366  -1.037  -5.059
  230   2HG   LYS  26          1HG       LYS  26  10.034  -2.187  -3.763
  231   1HD   LYS  26          2HD       LYS  26  12.041  -3.518  -4.618
  232   2HD   LYS  26          1HD       LYS  26  12.436  -2.105  -5.597
  233   1HE   LYS  26          2HE       LYS  26  13.215  -0.945  -3.796
  234   2HE   LYS  26          1HE       LYS  26  11.865  -1.469  -2.770
  235   1HZ   LYS  26          1HZ       LYS  26  12.878  -3.668  -2.633
  236   2HZ   LYS  26          2HZ       LYS  26  13.931  -2.483  -2.031
  237   3HZ   LYS  26          3HZ       LYS  26  14.188  -3.141  -3.577
  238    H    GLY  27           HN       GLY  27   8.242  -5.339  -6.191
  239   1HA   GLY  27          2HA       GLY  27   6.185  -6.203  -7.494
  240   2HA   GLY  27          1HA       GLY  27   6.541  -4.872  -8.596
  241    H    ARG  28           HN       ARG  28   9.316  -5.000  -8.719
  242    HA   ARG  28           HA       ARG  28   9.700  -7.327 -10.462
  243   1HB   ARG  28          2HB       ARG  28  10.521  -4.932 -10.802
  244   2HB   ARG  28          1HB       ARG  28  11.712  -5.257  -9.542
  245   1HG   ARG  28          2HG       ARG  28  12.878  -6.787 -10.843
  246   2HG   ARG  28          1HG       ARG  28  11.463  -7.193 -11.814
  247   1HD   ARG  28          2HD       ARG  28  11.689  -5.300 -13.177
  248   2HD   ARG  28          1HD       ARG  28  12.614  -4.410 -11.953
  249    HE   ARG  28           HE       ARG  28  14.042  -6.794 -12.681
  250   1HH1  ARG  28          1HH1      ARG  28  14.160  -3.485 -12.844
  251   2HH1  ARG  28          2HH1      ARG  28  15.077  -3.393 -14.311
  252   1HH2  ARG  28          1HH2      ARG  28  14.783  -6.777 -15.016
  253   2HH2  ARG  28          2HH2      ARG  28  15.428  -5.258 -15.541
  Start of MODEL   19
    1   1H    GLU   1          1HT       GLU   1 -13.327  10.431   4.868
    2   2H    GLU   1          2HT       GLU   1 -12.338   9.471   5.862
    3   3H    GLU   1          3HT       GLU   1 -14.030   9.375   5.995
    4    HA   GLU   1           HA       GLU   1 -13.358   7.460   4.782
    5   1HB   GLU   1          2HB       GLU   1 -14.539   9.781   3.255
    6   2HB   GLU   1          1HB       GLU   1 -14.405   8.185   2.515
    7   1HG   GLU   1          2HG       GLU   1 -15.981   7.251   3.909
    8   2HG   GLU   1          1HG       GLU   1 -15.575   8.318   5.254
    9    H    GLN   2           HN       GLN   2 -11.587   6.559   3.817
   10    HA   GLN   2           HA       GLN   2  -9.725   8.348   2.298
   11   1HB   GLN   2          2HB       GLN   2  -9.335   6.708   4.480
   12   2HB   GLN   2          1HB       GLN   2  -8.830   5.667   3.149
   13   1HG   GLN   2          2HG       GLN   2  -6.844   6.786   3.571
   14   2HG   GLN   2          1HG       GLN   2  -7.553   7.855   2.361
   15   1HE2  GLN   2          1HE2      GLN   2  -7.166   9.977   3.020
   16   2HE2  GLN   2          2HE2      GLN   2  -7.370  10.555   4.602
   17    H    TYR   3           HN       TYR   3  -8.344   6.727   0.735
   18    HA   TYR   3           HA       TYR   3 -10.262   5.784  -1.247
   19   1HB   TYR   3          2HB       TYR   3  -8.273   5.557  -2.624
   20   2HB   TYR   3          1HB       TYR   3  -8.168   7.062  -1.714
   21    HD1  TYR   3           1HD      TYR   3  -6.432   7.429  -0.119
   22    HD2  TYR   3           2HD      TYR   3  -7.017   3.532  -1.819
   23    HE1  TYR   3           1HE      TYR   3  -4.299   6.671   0.872
   24    HE2  TYR   3           2HE      TYR   3  -4.907   2.781  -0.838
   25    HH   TYR   3           HH       TYR   3  -2.561   4.800   0.291
   26    H    THR   4           HN       THR   4  -9.231   3.576  -2.389
   27    HA   THR   4           HA       THR   4  -9.398   1.519  -0.222
   28    HB   THR   4           HB       THR   4  -9.963   0.161  -2.483
   29    HG1  THR   4           1HG      THR   4 -10.949   1.442  -3.949
   30   1HG2  THR   4          1HG2      THR   4 -11.348   0.513  -0.396
   31   2HG2  THR   4          2HG2      THR   4 -12.274   0.389  -1.892
   32   3HG2  THR   4          3HG2      THR   4 -11.992   1.968  -1.159
   33    H    ALA   5           HN       ALA   5  -8.208   1.248  -3.564
   34    HA   ALA   5           HA       ALA   5  -6.235   0.336  -4.447
   35   1HB   ALA   5          1HB       ALA   5  -5.637   2.364  -2.675
   36   2HB   ALA   5          2HB       ALA   5  -4.515   1.620  -3.812
   37   3HB   ALA   5          3HB       ALA   5  -4.588   1.038  -2.145
   38    H    LYS   6           HN       LYS   6  -6.192  -1.836  -4.419
   39    HA   LYS   6           HA       LYS   6  -5.626  -3.231  -1.829
   40   1HB   LYS   6          2HB       LYS   6  -6.649  -5.204  -2.988
   41   2HB   LYS   6          1HB       LYS   6  -7.762  -3.852  -2.783
   42   1HG   LYS   6          2HG       LYS   6  -7.500  -3.184  -5.074
   43   2HG   LYS   6          1HG       LYS   6  -6.157  -4.303  -5.311
   44   1HD   LYS   6          2HD       LYS   6  -8.033  -6.054  -4.486
   45   2HD   LYS   6          1HD       LYS   6  -9.082  -4.844  -5.224
   46   1HE   LYS   6          2HE       LYS   6  -7.771  -4.981  -7.323
   47   2HE   LYS   6          1HE       LYS   6  -6.736  -6.218  -6.582
   48   1HZ   LYS   6          1HZ       LYS   6  -9.693  -6.401  -6.819
   49   2HZ   LYS   6          2HZ       LYS   6  -8.660  -7.591  -6.191
   50   3HZ   LYS   6          3HZ       LYS   6  -8.592  -7.194  -7.842
   51    H    TYR   7           HN       TYR   7  -3.881  -4.557  -1.700
   52    HA   TYR   7           HA       TYR   7  -2.229  -4.984  -4.165
   53   1HB   TYR   7          2HB       TYR   7  -1.415  -4.071  -1.398
   54   2HB   TYR   7          1HB       TYR   7  -0.268  -4.599  -2.614
   55    HD1  TYR   7           1HD      TYR   7   0.460  -3.174  -4.274
   56    HD2  TYR   7           2HD      TYR   7  -3.032  -2.197  -2.005
   57    HE1  TYR   7           1HE      TYR   7   0.436  -0.934  -5.308
   58    HE2  TYR   7           2HE      TYR   7  -3.097   0.056  -3.019
   59    HH   TYR   7           HH       TYR   7  -1.948   0.931  -5.588
   60    H    LYS   8           HN       LYS   8  -2.134  -7.167  -4.463
   61    HA   LYS   8           HA       LYS   8  -2.033  -9.483  -4.009
   62   1HB   LYS   8          2HB       LYS   8  -0.545  -8.259  -1.670
   63   2HB   LYS   8          1HB       LYS   8  -0.554  -9.989  -2.011
   64   1HG   LYS   8          2HG       LYS   8   0.335  -7.863  -3.981
   65   2HG   LYS   8          1HG       LYS   8   1.431  -8.815  -2.982
   66   1HD   LYS   8          2HD       LYS   8   0.170 -10.869  -4.005
   67   2HD   LYS   8          1HD       LYS   8  -0.318  -9.722  -5.254
   68   1HE   LYS   8          2HE       LYS   8   1.695 -10.570  -6.133
   69   2HE   LYS   8          1HE       LYS   8   2.260  -9.117  -5.284
   70   1HZ   LYS   8          1HZ       LYS   8   2.048 -11.783  -3.997
   71   2HZ   LYS   8          2HZ       LYS   8   2.798 -10.391  -3.375
   72   3HZ   LYS   8          3HZ       LYS   8   3.484 -11.204  -4.696
   73    H    GLY   9           HN       GLY   9  -4.307  -7.778  -2.779
   74   1HA   GLY   9          2HA       GLY   9  -6.301  -8.732  -1.795
   75   2HA   GLY   9          1HA       GLY   9  -5.296  -9.932  -0.988
   76    H    ARG  10           HN       ARG  10  -4.726  -6.421  -1.007
   77    HA   ARG  10           HA       ARG  10  -5.621  -6.227   1.829
   78   1HB   ARG  10          2HB       ARG  10  -2.823  -5.608   0.817
   79   2HB   ARG  10          1HB       ARG  10  -3.397  -5.341   2.463
   80   1HG   ARG  10          2HG       ARG  10  -3.941  -7.812   2.574
   81   2HG   ARG  10          1HG       ARG  10  -3.090  -7.994   1.040
   82   1HD   ARG  10          2HD       ARG  10  -1.017  -7.576   1.982
   83   2HD   ARG  10          1HD       ARG  10  -1.693  -6.553   3.265
   84    HE   ARG  10           HE       ARG  10  -1.569  -9.500   3.299
   85   1HH1  ARG  10          1HH2      ARG  10  -0.807  -7.965   5.684
   86   2HH1  ARG  10          2HH2      ARG  10  -2.216  -8.064   6.686
   87   1HH2  ARG  10          1HH1      ARG  10  -4.312  -9.038   4.103
   88   2HH2  ARG  10          2HH1      ARG  10  -4.200  -8.669   5.792
   89    H    THR  11           HN       THR  11  -7.027  -4.473   1.613
   90    HA   THR  11           HA       THR  11  -6.647  -2.392  -0.351
   91    HB   THR  11           HB       THR  11  -8.328  -2.308   2.165
   92    HG1  THR  11           1HG      THR  11  -8.922  -3.390  -0.389
   93   1HG2  THR  11          1HG2      THR  11  -9.800  -0.937   0.622
   94   2HG2  THR  11          2HG2      THR  11  -8.474  -0.952  -0.540
   95   3HG2  THR  11          3HG2      THR  11  -8.259  -0.181   1.030
   96    H    PHE  12           HN       PHE  12  -6.409  -0.047   0.301
   97    HA   PHE  12           HA       PHE  12  -4.609   0.311   2.670
   98   1HB   PHE  12          2HB       PHE  12  -4.299   1.009  -0.245
   99   2HB   PHE  12          1HB       PHE  12  -3.531   2.044   0.979
  100    HD1  PHE  12           1HD      PHE  12  -1.602   1.265   2.229
  101    HD2  PHE  12           2HD      PHE  12  -3.831  -1.364  -0.325
  102    HE1  PHE  12           1HE      PHE  12   0.183  -0.458   2.454
  103    HE2  PHE  12           2HE      PHE  12  -2.084  -3.105  -0.049
  104    HZ   PHE  12           HZ       PHE  12  -0.070  -2.648   1.320
  105    H    ARG  13           HN       ARG  13  -5.124   2.065   3.922
  106    HA   ARG  13           HA       ARG  13  -7.056   4.079   2.822
  107   1HB   ARG  13          2HB       ARG  13  -8.088   4.050   5.089
  108   2HB   ARG  13          1HB       ARG  13  -8.153   2.464   4.323
  109   1HG   ARG  13          2HG       ARG  13  -6.171   1.748   5.592
  110   2HG   ARG  13          1HG       ARG  13  -6.060   3.343   6.336
  111   1HD   ARG  13          2HD       ARG  13  -8.252   3.038   7.401
  112   2HD   ARG  13          1HD       ARG  13  -8.428   1.457   6.613
  113    HE   ARG  13           HE       ARG  13  -6.188   2.065   8.510
  114   1HH1  ARG  13          1HH1      ARG  13  -9.074   0.542   8.654
  115   2HH1  ARG  13          2HH1      ARG  13  -8.467  -1.052   8.958
  116   1HH2  ARG  13          1HH2      ARG  13  -5.177  -0.221   8.246
  117   2HH2  ARG  13          2HH2      ARG  13  -6.261  -1.484   8.727
  118    H    ASN  14           HN       ASN  14  -4.222   4.382   2.814
  119    HA   ASN  14           HA       ASN  14  -3.928   6.884   4.258
  120   1HB   ASN  14          2HB       ASN  14  -3.707   5.312   6.121
  121   2HB   ASN  14          1HB       ASN  14  -2.483   4.395   5.241
  122   1HD2  ASN  14          1HD2      ASN  14  -3.088   7.776   6.302
  123   2HD2  ASN  14          2HD2      ASN  14  -1.475   8.098   6.726
  124    H    GLU  15           HN       GLU  15  -2.278   8.060   3.314
  125    HA   GLU  15           HA       GLU  15  -1.051   7.118   0.883
  126   1HB   GLU  15          2HB       GLU  15  -1.595   9.516   2.098
  127   2HB   GLU  15          1HB       GLU  15   0.155   9.415   2.305
  128   1HG   GLU  15          2HG       GLU  15   0.566   9.451   0.022
  129   2HG   GLU  15          1HG       GLU  15  -1.004   8.753  -0.375
  130    H    LYS  16           HN       LYS  16   0.329   7.818   4.119
  131    HA   LYS  16           HA       LYS  16   3.007   7.166   3.645
  132   1HB   LYS  16          2HB       LYS  16   1.789   8.108   5.714
  133   2HB   LYS  16          1HB       LYS  16   1.519   6.423   6.156
  134   1HG   LYS  16          2HG       LYS  16   4.241   6.540   5.475
  135   2HG   LYS  16          1HG       LYS  16   3.947   8.020   6.386
  136   1HD   LYS  16          2HD       LYS  16   2.677   6.441   8.045
  137   2HD   LYS  16          1HD       LYS  16   3.610   5.164   7.266
  138   1HE   LYS  16          2HE       LYS  16   5.312   7.447   7.914
  139   2HE   LYS  16          1HE       LYS  16   4.504   6.804   9.357
  140   1HZ   LYS  16          1HZ       LYS  16   6.593   5.616   8.761
  141   2HZ   LYS  16          2HZ       LYS  16   5.847   5.107   7.321
  142   3HZ   LYS  16          3HZ       LYS  16   5.225   4.610   8.820
  143    H    GLU  17           HN       GLU  17   0.362   5.024   4.505
  144    HA   GLU  17           HA       GLU  17   1.831   2.594   4.823
  145   1HB   GLU  17          2HB       GLU  17  -0.994   3.341   4.067
  146   2HB   GLU  17          1HB       GLU  17  -0.505   1.648   4.132
  147   1HG   GLU  17          2HG       GLU  17  -0.161   3.614   6.412
  148   2HG   GLU  17          1HG       GLU  17  -1.492   2.464   6.278
  149    H    LEU  18           HN       LEU  18  -0.068   3.685   1.999
  150    HA   LEU  18           HA       LEU  18   0.845   1.633   0.227
  151   1HB   LEU  18          2HB       LEU  18  -1.149   3.372   0.194
  152   2HB   LEU  18          1HB       LEU  18   0.002   4.366  -0.696
  153    HG   LEU  18           HG       LEU  18   0.310   2.529  -2.320
  154   1HD1  LEU  18          1HD1      LEU  18  -0.744   0.910  -0.351
  155   2HD1  LEU  18          2HD1      LEU  18  -0.543   0.429  -2.014
  156   3HD1  LEU  18          3HD1      LEU  18  -2.091   1.049  -1.460
  157   1HD2  LEU  18          1HD2      LEU  18  -2.589   3.288  -1.880
  158   2HD2  LEU  18          2HD2      LEU  18  -1.887   2.737  -3.400
  159   3HD2  LEU  18          3HD2      LEU  18  -1.391   4.282  -2.709
  160    H    ARG  19           HN       ARG  19   1.986   4.985   0.712
  161    HA   ARG  19           HA       ARG  19   3.959   4.981  -1.358
  162   1HB   ARG  19          2HB       ARG  19   3.608   6.428   1.269
  163   2HB   ARG  19          1HB       ARG  19   4.979   6.764   0.212
  164   1HG   ARG  19          2HG       ARG  19   2.266   6.725  -1.027
  165   2HG   ARG  19          1HG       ARG  19   2.680   8.111  -0.018
  166   1HD   ARG  19          2HD       ARG  19   4.374   8.820  -1.451
  167   2HD   ARG  19          1HD       ARG  19   4.662   7.186  -2.081
  168    HE   ARG  19           HE       ARG  19   2.837   7.481  -3.581
  169   1HH1  ARG  19          1HH2      ARG  19   3.654  10.356  -3.681
  170   2HH1  ARG  19          2HH2      ARG  19   2.165  11.171  -3.331
  171   1HH2  ARG  19          1HH1      ARG  19   0.614   8.348  -2.048
  172   2HH2  ARG  19          2HH1      ARG  19   0.443  10.034  -2.405
  173    H    ASP  20           HN       ASP  20   3.896   3.423   1.761
  174    HA   ASP  20           HA       ASP  20   6.835   2.930   1.697
  175   1HB   ASP  20          2HB       ASP  20   4.618   2.603   3.733
  176   2HB   ASP  20          1HB       ASP  20   6.245   1.974   4.007
  177    H    PHE  21           HN       PHE  21   3.713   1.313   1.382
  178    HA   PHE  21           HA       PHE  21   4.622  -1.407   1.634
  179   1HB   PHE  21          2HB       PHE  21   2.291  -0.738   1.802
  180   2HB   PHE  21          1HB       PHE  21   2.272  -0.181   0.143
  181    HD1  PHE  21           1HD      PHE  21   2.025  -1.728  -1.677
  182    HD2  PHE  21           2HD      PHE  21   2.770  -3.119   2.302
  183    HE1  PHE  21           1HE      PHE  21   1.581  -4.053  -2.417
  184    HE2  PHE  21           2HE      PHE  21   2.303  -5.458   1.581
  185    HZ   PHE  21           HZ       PHE  21   1.712  -5.921  -0.785
  186    H    ILE  22           HN       ILE  22   3.417  -0.043  -1.425
  187    HA   ILE  22           HA       ILE  22   4.583  -1.805  -3.231
  188    HB   ILE  22           HB       ILE  22   4.069   1.177  -3.447
  189   1HG1  ILE  22          2HG1      ILE  22   2.165  -0.230  -4.880
  190   2HG1  ILE  22          1HG1      ILE  22   2.450  -1.280  -3.497
  191   1HG2  ILE  22          1HG2      ILE  22   4.027   0.818  -5.875
  192   2HG2  ILE  22          2HG2      ILE  22   4.412  -0.886  -5.644
  193   3HG2  ILE  22          3HG2      ILE  22   5.605   0.350  -5.238
  194   1HD1  ILE  22          1HD1      ILE  22   1.413   0.122  -2.084
  195   2HD1  ILE  22          2HD1      ILE  22   0.779   0.913  -3.527
  196   3HD1  ILE  22          3HD1      ILE  22   2.234   1.536  -2.749
  197    H    GLU  23           HN       GLU  23   6.068   0.930  -1.594
  198    HA   GLU  23           HA       GLU  23   8.526   0.979  -3.160
  199   1HB   GLU  23          2HB       GLU  23   7.433   2.818  -1.735
  200   2HB   GLU  23          1HB       GLU  23   8.092   1.974  -0.334
  201   1HG   GLU  23          2HG       GLU  23   9.966   2.514  -2.584
  202   2HG   GLU  23          1HG       GLU  23   9.463   3.898  -1.613
  203    H    LYS  24           HN       LYS  24   7.743  -0.210   0.135
  204    HA   LYS  24           HA       LYS  24  10.346  -1.469   0.492
  205   1HB   LYS  24          2HB       LYS  24   8.540  -0.579   2.191
  206   2HB   LYS  24          1HB       LYS  24   7.842  -2.189   2.003
  207   1HG   LYS  24          2HG       LYS  24  10.780  -2.031   2.478
  208   2HG   LYS  24          1HG       LYS  24   9.725  -1.663   3.842
  209   1HD   LYS  24          2HD       LYS  24   8.478  -3.865   3.031
  210   2HD   LYS  24          1HD       LYS  24  10.063  -4.232   2.349
  211   1HE   LYS  24          2HE       LYS  24  10.029  -3.232   5.160
  212   2HE   LYS  24          1HE       LYS  24   9.437  -4.882   4.885
  213   1HZ   LYS  24          1HZ       LYS  24  11.877  -4.775   5.181
  214   2HZ   LYS  24          2HZ       LYS  24  11.981  -3.807   3.788
  215   3HZ   LYS  24          3HZ       LYS  24  11.422  -5.408   3.674
  216    H    PHE  25           HN       PHE  25   7.043  -2.837   0.154
  217    HA   PHE  25           HA       PHE  25   8.120  -5.457  -0.521
  218   1HB   PHE  25          2HB       PHE  25   6.079  -5.022   0.881
  219   2HB   PHE  25          1HB       PHE  25   5.276  -4.417  -0.571
  220    HD1  PHE  25           1HD      PHE  25   3.876  -5.944  -1.609
  221    HD2  PHE  25           2HD      PHE  25   7.441  -7.349   0.323
  222    HE1  PHE  25           1HE      PHE  25   3.321  -8.268  -2.282
  223    HE2  PHE  25           2HE      PHE  25   6.889  -9.674  -0.344
  224    HZ   PHE  25           HZ       PHE  25   4.829 -10.134  -1.648
  225    H    LYS  26           HN       LYS  26   9.171  -3.961  -2.440
  226    HA   LYS  26           HA       LYS  26   7.666  -3.244  -4.721
  227   1HB   LYS  26          2HB       LYS  26  10.477  -4.177  -4.211
  228   2HB   LYS  26          1HB       LYS  26   9.948  -3.838  -5.859
  229   1HG   LYS  26          2HG       LYS  26   9.287  -1.790  -3.806
  230   2HG   LYS  26          1HG       LYS  26  10.985  -1.936  -4.256
  231   1HD   LYS  26          2HD       LYS  26   9.019  -1.923  -6.489
  232   2HD   LYS  26          1HD       LYS  26   9.247  -0.398  -5.632
  233   1HE   LYS  26          2HE       LYS  26  11.801  -0.882  -5.925
  234   2HE   LYS  26          1HE       LYS  26  11.267  -1.995  -7.200
  235   1HZ   LYS  26          1HZ       LYS  26  11.631   0.368  -7.932
  236   2HZ   LYS  26          2HZ       LYS  26  10.294   0.799  -6.982
  237   3HZ   LYS  26          3HZ       LYS  26  10.098  -0.272  -8.288
  238    H    GLY  27           HN       GLY  27   8.489  -6.396  -3.547
  239   1HA   GLY  27          2HA       GLY  27   7.101  -8.283  -4.393
  240   2HA   GLY  27          1HA       GLY  27   7.294  -7.600  -6.008
  241    H    ARG  28           HN       ARG  28   9.847  -7.190  -6.428
  242    HA   ARG  28           HA       ARG  28  11.066  -9.882  -6.252
  243   1HB   ARG  28          2HB       ARG  28  10.875  -8.406  -8.332
  244   2HB   ARG  28          1HB       ARG  28  12.101  -7.373  -7.595
  245   1HG   ARG  28          2HG       ARG  28  13.774  -8.943  -7.839
  246   2HG   ARG  28          1HG       ARG  28  12.658 -10.303  -7.717
  247   1HD   ARG  28          2HD       ARG  28  12.915 -10.444  -9.985
  248   2HD   ARG  28          1HD       ARG  28  11.810  -9.056 -10.041
  249    HE   ARG  28           HE       ARG  28  13.930  -7.624  -9.838
  250   1HH1  ARG  28          1HH1      ARG  28  15.665 -10.157  -9.624
  251   2HH1  ARG  28          2HH1      ARG  28  16.323 -10.230 -11.225
  252   1HH2  ARG  28          1HH2      ARG  28  14.029  -7.997 -12.555
  253   2HH2  ARG  28          2HH2      ARG  28  15.397  -9.007 -12.884
  Start of MODEL   20
    1   1H    GLU   1          1HT       GLU   1 -11.941  11.879   3.719
    2   2H    GLU   1          2HT       GLU   1 -12.296  10.584   4.761
    3   3H    GLU   1          3HT       GLU   1 -13.545  11.586   4.189
    4    HA   GLU   1           HA       GLU   1 -13.459   9.414   3.023
    5   1HB   GLU   1          2HB       GLU   1 -14.119  11.844   2.187
    6   2HB   GLU   1          1HB       GLU   1 -12.721  11.624   1.133
    7   1HG   GLU   1          2HG       GLU   1 -13.677   9.797   0.026
    8   2HG   GLU   1          1HG       GLU   1 -14.792   9.455   1.350
    9    H    GLN   2           HN       GLN   2 -11.856   7.878   2.861
   10    HA   GLN   2           HA       GLN   2  -9.212   8.701   1.709
   11   1HB   GLN   2          2HB       GLN   2  -9.967   7.310   4.051
   12   2HB   GLN   2          1HB       GLN   2  -9.307   6.080   2.973
   13   1HG   GLN   2          2HG       GLN   2  -7.433   6.920   4.175
   14   2HG   GLN   2          1HG       GLN   2  -7.345   7.692   2.592
   15   1HE2  GLN   2          1HE2      GLN   2  -6.207   8.815   5.055
   16   2HE2  GLN   2          2HE2      GLN   2  -7.018  10.277   5.351
   17    H    TYR   3           HN       TYR   3  -8.161   6.929   0.373
   18    HA   TYR   3           HA       TYR   3 -10.082   5.901  -1.586
   19   1HB   TYR   3          2HB       TYR   3  -8.084   5.538  -2.906
   20   2HB   TYR   3          1HB       TYR   3  -7.961   7.108  -2.115
   21    HD1  TYR   3           1HD      TYR   3  -6.221   7.574  -0.555
   22    HD2  TYR   3           2HD      TYR   3  -6.889   3.556  -1.906
   23    HE1  TYR   3           1HE      TYR   3  -4.110   6.857   0.515
   24    HE2  TYR   3           2HE      TYR   3  -4.803   2.843  -0.853
   25    HH   TYR   3           HH       TYR   3  -2.480   5.090   0.375
   26    H    THR   4           HN       THR   4  -9.117   3.598  -2.519
   27    HA   THR   4           HA       THR   4  -9.278   1.720  -0.191
   28    HB   THR   4           HB       THR   4  -9.937   0.191  -2.292
   29    HG1  THR   4           1HG      THR   4 -10.781   1.322  -3.921
   30   1HG2  THR   4          1HG2      THR   4 -11.739   2.220  -0.948
   31   2HG2  THR   4          2HG2      THR   4 -11.369   0.595  -0.367
   32   3HG2  THR   4          3HG2      THR   4 -12.306   0.811  -1.846
   33    H    ALA   5           HN       ALA   5  -8.157   1.262  -3.539
   34    HA   ALA   5           HA       ALA   5  -6.213   0.296  -4.429
   35   1HB   ALA   5          1HB       ALA   5  -5.546   2.356  -2.741
   36   2HB   ALA   5          2HB       ALA   5  -4.431   1.520  -3.818
   37   3HB   ALA   5          3HB       ALA   5  -4.554   1.023  -2.126
   38    H    LYS   6           HN       LYS   6  -5.993  -1.876  -4.392
   39    HA   LYS   6           HA       LYS   6  -5.543  -3.211  -1.746
   40   1HB   LYS   6          2HB       LYS   6  -6.520  -5.221  -2.881
   41   2HB   LYS   6          1HB       LYS   6  -7.649  -3.875  -2.725
   42   1HG   LYS   6          2HG       LYS   6  -7.329  -3.241  -5.025
   43   2HG   LYS   6          1HG       LYS   6  -5.995  -4.378  -5.211
   44   1HD   LYS   6          2HD       LYS   6  -7.878  -6.108  -4.407
   45   2HD   LYS   6          1HD       LYS   6  -8.930  -4.896  -5.140
   46   1HE   LYS   6          2HE       LYS   6  -8.071  -5.246  -7.276
   47   2HE   LYS   6          1HE       LYS   6  -6.503  -5.807  -6.662
   48   1HZ   LYS   6          1HZ       LYS   6  -9.079  -7.250  -6.321
   49   2HZ   LYS   6          2HZ       LYS   6  -7.551  -7.787  -5.808
   50   3HZ   LYS   6          3HZ       LYS   6  -7.895  -7.651  -7.467
   51    H    TYR   7           HN       TYR   7  -3.777  -4.480  -1.523
   52    HA   TYR   7           HA       TYR   7  -2.083  -5.008  -3.940
   53   1HB   TYR   7          2HB       TYR   7  -1.285  -3.976  -1.206
   54   2HB   TYR   7          1HB       TYR   7  -0.143  -4.535  -2.411
   55    HD1  TYR   7           1HD      TYR   7   0.610  -3.131  -4.063
   56    HD2  TYR   7           2HD      TYR   7  -2.959  -2.175  -1.918
   57    HE1  TYR   7           1HE      TYR   7   0.560  -0.923  -5.162
   58    HE2  TYR   7           2HE      TYR   7  -3.046   0.046  -2.989
   59    HH   TYR   7           HH       TYR   7  -0.398   1.251  -4.921
   60    H    LYS   8           HN       LYS   8  -1.851  -7.192  -4.133
   61    HA   LYS   8           HA       LYS   8  -1.700  -9.481  -3.582
   62   1HB   LYS   8          2HB       LYS   8  -0.260  -7.942  -1.466
   63   2HB   LYS   8          1HB       LYS   8  -0.535  -9.658  -1.169
   64   1HG   LYS   8          2HG       LYS   8   0.556  -8.739  -3.818
   65   2HG   LYS   8          1HG       LYS   8   1.632  -8.942  -2.435
   66   1HD   LYS   8          2HD       LYS   8  -0.280 -11.157  -2.998
   67   2HD   LYS   8          1HD       LYS   8   1.075 -10.965  -4.110
   68   1HE   LYS   8          2HE       LYS   8   2.622 -11.600  -2.538
   69   2HE   LYS   8          1HE       LYS   8   1.744 -10.807  -1.214
   70   1HZ   LYS   8          1HZ       LYS   8   0.005 -12.532  -1.470
   71   2HZ   LYS   8          2HZ       LYS   8   1.500 -13.162  -0.963
   72   3HZ   LYS   8          3HZ       LYS   8   1.009 -13.343  -2.577
   73    H    GLY   9           HN       GLY   9  -4.116  -7.794  -2.567
   74   1HA   GLY   9          2HA       GLY   9  -6.153  -8.773  -1.710
   75   2HA   GLY   9          1HA       GLY   9  -5.185  -9.952  -0.830
   76    H    ARG  10           HN       ARG  10  -4.602  -6.457  -0.794
   77    HA   ARG  10           HA       ARG  10  -5.756  -6.249   1.948
   78   1HB   ARG  10          2HB       ARG  10  -2.876  -5.640   1.183
   79   2HB   ARG  10          1HB       ARG  10  -3.589  -5.358   2.771
   80   1HG   ARG  10          2HG       ARG  10  -4.117  -7.817   2.894
   81   2HG   ARG  10          1HG       ARG  10  -3.203  -8.033   1.401
   82   1HD   ARG  10          2HD       ARG  10  -1.619  -8.483   3.116
   83   2HD   ARG  10          1HD       ARG  10  -1.280  -6.801   2.660
   84    HE   ARG  10           HE       ARG  10  -3.080  -7.487   4.953
   85   1HH1  ARG  10          1HH1      ARG  10  -0.038  -6.991   5.255
   86   2HH1  ARG  10          2HH1      ARG  10  -0.046  -5.345   5.793
   87   1HH2  ARG  10          1HH2      ARG  10  -3.339  -4.781   4.864
   88   2HH2  ARG  10          2HH2      ARG  10  -1.915  -4.093   5.570
   89    H    THR  11           HN       THR  11  -7.061  -4.419   1.757
   90    HA   THR  11           HA       THR  11  -6.598  -2.421  -0.279
   91    HB   THR  11           HB       THR  11  -8.364  -2.241   2.170
   92    HG1  THR  11           1HG      THR  11  -9.237  -3.940   1.285
   93   1HG2  THR  11          1HG2      THR  11  -9.751  -0.874   0.532
   94   2HG2  THR  11          2HG2      THR  11  -8.367  -0.917  -0.559
   95   3HG2  THR  11          3HG2      THR  11  -8.225  -0.131   1.012
   96    H    PHE  12           HN       PHE  12  -6.368  -0.045   0.299
   97    HA   PHE  12           HA       PHE  12  -4.636   0.382   2.706
   98   1HB   PHE  12          2HB       PHE  12  -4.243   1.051  -0.217
   99   2HB   PHE  12          1HB       PHE  12  -3.439   2.016   1.044
  100    HD1  PHE  12           1HD      PHE  12  -1.526   1.137   2.217
  101    HD2  PHE  12           2HD      PHE  12  -3.982  -1.378  -0.228
  102    HE1  PHE  12           1HE      PHE  12   0.136  -0.703   2.453
  103    HE2  PHE  12           2HE      PHE  12  -2.363  -3.234   0.049
  104    HZ   PHE  12           HZ       PHE  12  -0.293  -2.896   1.374
  105    H    ARG  13           HN       ARG  13  -5.330   2.069   3.941
  106    HA   ARG  13           HA       ARG  13  -7.170   4.089   2.697
  107   1HB   ARG  13          2HB       ARG  13  -7.303   2.372   5.097
  108   2HB   ARG  13          1HB       ARG  13  -7.730   4.057   5.396
  109   1HG   ARG  13          2HG       ARG  13  -9.492   4.011   3.813
  110   2HG   ARG  13          1HG       ARG  13  -8.893   2.530   3.065
  111   1HD   ARG  13          2HD       ARG  13  -9.280   1.562   5.532
  112   2HD   ARG  13          1HD       ARG  13 -10.481   2.869   5.575
  113    HE   ARG  13           HE       ARG  13 -10.470   0.606   3.641
  114   1HH1  ARG  13          1HH1      ARG  13 -11.423   2.980   2.208
  115   2HH1  ARG  13          2HH1      ARG  13 -13.114   3.017   2.577
  116   1HH2  ARG  13          1HH2      ARG  13 -12.842   0.868   5.285
  117   2HH2  ARG  13          2HH2      ARG  13 -13.918   1.822   4.317
  118    H    ASN  14           HN       ASN  14  -4.383   4.467   2.681
  119    HA   ASN  14           HA       ASN  14  -4.096   7.002   4.029
  120   1HB   ASN  14          2HB       ASN  14  -3.876   4.986   5.786
  121   2HB   ASN  14          1HB       ASN  14  -2.223   4.966   5.169
  122   1HD2  ASN  14          1HD2      ASN  14  -0.816   6.657   5.824
  123   2HD2  ASN  14          2HD2      ASN  14  -1.293   7.934   6.835
  124    H    GLU  15           HN       GLU  15  -2.537   8.116   2.913
  125    HA   GLU  15           HA       GLU  15  -1.136   6.938   0.693
  126   1HB   GLU  15          2HB       GLU  15  -1.246   9.540   2.153
  127   2HB   GLU  15          1HB       GLU  15   0.125   9.279   1.075
  128   1HG   GLU  15          2HG       GLU  15  -2.692   8.722   0.160
  129   2HG   GLU  15          1HG       GLU  15  -2.016  10.349   0.074
  130    H    LYS  16           HN       LYS  16  -0.150   7.737   4.013
  131    HA   LYS  16           HA       LYS  16   2.635   7.367   3.784
  132   1HB   LYS  16          2HB       LYS  16   1.005   8.140   5.720
  133   2HB   LYS  16          1HB       LYS  16   1.136   6.447   6.200
  134   1HG   LYS  16          2HG       LYS  16   3.416   6.606   6.644
  135   2HG   LYS  16          1HG       LYS  16   3.635   7.981   5.561
  136   1HD   LYS  16          2HD       LYS  16   2.145   9.295   7.189
  137   2HD   LYS  16          1HD       LYS  16   2.395   7.960   8.315
  138   1HE   LYS  16          2HE       LYS  16   4.234   9.194   8.939
  139   2HE   LYS  16          1HE       LYS  16   4.970   8.439   7.510
  140   1HZ   LYS  16          1HZ       LYS  16   3.400  10.961   7.449
  141   2HZ   LYS  16          2HZ       LYS  16   4.245  10.260   6.156
  142   3HZ   LYS  16          3HZ       LYS  16   5.097  10.898   7.480
  143    H    GLU  17           HN       GLU  17   0.102   5.033   4.476
  144    HA   GLU  17           HA       GLU  17   1.762   2.728   4.884
  145   1HB   GLU  17          2HB       GLU  17  -1.095   3.292   4.145
  146   2HB   GLU  17          1HB       GLU  17  -0.508   1.631   4.074
  147   1HG   GLU  17          2HG       GLU  17  -0.226   3.420   6.502
  148   2HG   GLU  17          1HG       GLU  17  -1.526   2.247   6.285
  149    H    LEU  18           HN       LEU  18  -0.175   3.620   2.018
  150    HA   LEU  18           HA       LEU  18   0.818   1.666   0.231
  151   1HB   LEU  18          2HB       LEU  18  -1.082   3.548   0.173
  152   2HB   LEU  18          1HB       LEU  18   0.157   4.437  -0.708
  153    HG   LEU  18           HG       LEU  18   0.342   2.592  -2.324
  154   1HD1  LEU  18          1HD1      LEU  18  -0.895   1.078  -0.313
  155   2HD1  LEU  18          2HD1      LEU  18  -0.510   0.518  -1.924
  156   3HD1  LEU  18          3HD1      LEU  18  -2.103   1.187  -1.576
  157   1HD2  LEU  18          1HD2      LEU  18  -2.588   3.223  -2.040
  158   2HD2  LEU  18          2HD2      LEU  18  -1.626   3.097  -3.512
  159   3HD2  LEU  18          3HD2      LEU  18  -1.424   4.485  -2.443
  160    H    ARG  19           HN       ARG  19   2.071   4.922   0.938
  161    HA   ARG  19           HA       ARG  19   4.145   4.943  -1.044
  162   1HB   ARG  19          2HB       ARG  19   3.773   6.275   1.652
  163   2HB   ARG  19          1HB       ARG  19   5.114   6.665   0.577
  164   1HG   ARG  19          2HG       ARG  19   2.482   6.673  -0.752
  165   2HG   ARG  19          1HG       ARG  19   2.647   7.888   0.515
  166   1HD   ARG  19          2HD       ARG  19   4.657   8.789  -0.537
  167   2HD   ARG  19          1HD       ARG  19   4.630   7.502  -1.758
  168    HE   ARG  19           HE       ARG  19   2.320   9.377  -1.459
  169   1HH1  ARG  19          1HH2      ARG  19   3.585   6.985  -3.388
  170   2HH1  ARG  19          2HH2      ARG  19   3.506   7.872  -4.873
  171   1HH2  ARG  19          1HH1      ARG  19   2.706  10.879  -3.343
  172   2HH2  ARG  19          2HH1      ARG  19   3.007  10.076  -4.847
  173    H    ASP  20           HN       ASP  20   3.855   3.282   2.012
  174    HA   ASP  20           HA       ASP  20   6.775   2.704   2.095
  175   1HB   ASP  20          2HB       ASP  20   4.480   2.802   3.965
  176   2HB   ASP  20          1HB       ASP  20   5.641   1.511   4.278
  177    H    PHE  21           HN       PHE  21   3.631   1.159   1.574
  178    HA   PHE  21           HA       PHE  21   4.512  -1.577   1.785
  179   1HB   PHE  21          2HB       PHE  21   2.170  -0.831   1.871
  180   2HB   PHE  21          1HB       PHE  21   2.230  -0.372   0.181
  181    HD1  PHE  21           1HD      PHE  21   2.190  -2.038  -1.583
  182    HD2  PHE  21           2HD      PHE  21   2.544  -3.165   2.538
  183    HE1  PHE  21           1HE      PHE  21   1.802  -4.411  -2.200
  184    HE2  PHE  21           2HE      PHE  21   2.154  -5.547   1.930
  185    HZ   PHE  21           HZ       PHE  21   1.783  -6.166  -0.445
  186    H    ILE  22           HN       ILE  22   3.446  -0.058  -1.262
  187    HA   ILE  22           HA       ILE  22   4.657  -1.809  -3.066
  188    HB   ILE  22           HB       ILE  22   4.169   1.180  -3.266
  189   1HG1  ILE  22          2HG1      ILE  22   2.269  -0.200  -4.733
  190   2HG1  ILE  22          1HG1      ILE  22   2.504  -1.245  -3.337
  191   1HG2  ILE  22          1HG2      ILE  22   4.163   0.813  -5.697
  192   2HG2  ILE  22          2HG2      ILE  22   4.528  -0.895  -5.449
  193   3HG2  ILE  22          3HG2      ILE  22   5.723   0.331  -5.026
  194   1HD1  ILE  22          1HD1      ILE  22   1.480   0.198  -1.948
  195   2HD1  ILE  22          2HD1      ILE  22   0.869   0.965  -3.411
  196   3HD1  ILE  22          3HD1      ILE  22   2.321   1.590  -2.632
  197    H    GLU  23           HN       GLU  23   6.076   0.919  -1.348
  198    HA   GLU  23           HA       GLU  23   8.564   1.084  -2.796
  199   1HB   GLU  23          2HB       GLU  23   7.595   2.789  -1.229
  200   2HB   GLU  23          1HB       GLU  23   7.945   1.701   0.114
  201   1HG   GLU  23          2HG       GLU  23   9.873   2.972   0.153
  202   2HG   GLU  23          1HG       GLU  23  10.377   1.720  -0.984
  203    H    LYS  24           HN       LYS  24   7.529  -0.757   0.063
  204    HA   LYS  24           HA       LYS  24  10.153  -2.044   0.383
  205   1HB   LYS  24          2HB       LYS  24   7.420  -2.221   1.664
  206   2HB   LYS  24          1HB       LYS  24   8.697  -3.359   2.089
  207   1HG   LYS  24          2HG       LYS  24   9.965  -0.869   2.189
  208   2HG   LYS  24          1HG       LYS  24   8.370  -0.560   2.875
  209   1HD   LYS  24          2HD       LYS  24   9.350  -1.318   4.795
  210   2HD   LYS  24          1HD       LYS  24   8.964  -2.899   4.113
  211   1HE   LYS  24          2HE       LYS  24  11.305  -2.595   2.895
  212   2HE   LYS  24          1HE       LYS  24  11.615  -1.503   4.260
  213   1HZ   LYS  24          1HZ       LYS  24  10.769  -3.285   5.739
  214   2HZ   LYS  24          2HZ       LYS  24  12.204  -3.707   4.932
  215   3HZ   LYS  24          3HZ       LYS  24  10.713  -4.329   4.405
  216    H    PHE  25           HN       PHE  25   6.854  -3.044  -0.605
  217    HA   PHE  25           HA       PHE  25   7.810  -5.663  -1.476
  218   1HB   PHE  25          2HB       PHE  25   5.615  -5.217  -0.330
  219   2HB   PHE  25          1HB       PHE  25   5.101  -4.341  -1.772
  220    HD1  PHE  25           1HD      PHE  25   3.625  -5.587  -3.051
  221    HD2  PHE  25           2HD      PHE  25   6.953  -7.560  -1.189
  222    HE1  PHE  25           1HE      PHE  25   2.960  -7.722  -4.127
  223    HE2  PHE  25           2HE      PHE  25   6.290  -9.697  -2.263
  224    HZ   PHE  25           HZ       PHE  25   4.293  -9.776  -3.732
  225    H    LYS  26           HN       LYS  26   9.235  -3.916  -2.952
  226    HA   LYS  26           HA       LYS  26   8.160  -2.791  -5.300
  227   1HB   LYS  26          2HB       LYS  26  10.764  -3.806  -4.328
  228   2HB   LYS  26          1HB       LYS  26  10.625  -3.656  -6.081
  229   1HG   LYS  26          2HG       LYS  26   9.600  -1.369  -4.479
  230   2HG   LYS  26          1HG       LYS  26  11.349  -1.592  -4.493
  231   1HD   LYS  26          2HD       LYS  26  11.409  -1.509  -6.910
  232   2HD   LYS  26          1HD       LYS  26   9.647  -1.509  -6.998
  233   1HE   LYS  26          2HE       LYS  26   9.605   0.675  -5.793
  234   2HE   LYS  26          1HE       LYS  26  11.380   0.686  -5.808
  235   1HZ   LYS  26          1HZ       LYS  26  11.354   0.511  -8.200
  236   2HZ   LYS  26          2HZ       LYS  26  10.439   1.863  -7.731
  237   3HZ   LYS  26          3HZ       LYS  26   9.660   0.435  -8.218
  238    H    GLY  27           HN       GLY  27   8.632  -6.137  -4.524
  239   1HA   GLY  27          2HA       GLY  27   8.861  -7.334  -7.062
  240   2HA   GLY  27          1HA       GLY  27   8.058  -8.093  -5.689
  241    H    ARG  28           HN       ARG  28   6.100  -5.780  -5.589
  242    HA   ARG  28           HA       ARG  28   3.967  -6.929  -7.089
  243   1HB   ARG  28          2HB       ARG  28   4.002  -5.281  -5.095
  244   2HB   ARG  28          1HB       ARG  28   4.191  -4.016  -6.311
  245   1HG   ARG  28          2HG       ARG  28   2.037  -6.010  -6.793
  246   2HG   ARG  28          1HG       ARG  28   1.774  -4.868  -5.476
  247   1HD   ARG  28          2HD       ARG  28   2.035  -2.976  -6.955
  248   2HD   ARG  28          1HD       ARG  28   2.583  -4.024  -8.279
  249    HE   ARG  28           HE       ARG  28  -0.048  -4.719  -7.163
  250   1HH1  ARG  28          1HH1      ARG  28   1.637  -4.534  -9.973
  251   2HH1  ARG  28          2HH1      ARG  28   0.408  -3.751 -10.907
  252   1HH2  ARG  28          1HH2      ARG  28  -1.590  -3.036  -8.164
  253   2HH2  ARG  28          2HH2      ARG  28  -1.421  -2.903  -9.883
  Start of MODEL   21
    1   1H    GLU   1          1HT       GLU   1 -14.275   9.633   3.472
    2   2H    GLU   1          2HT       GLU   1 -12.956   9.698   4.541
    3   3H    GLU   1          3HT       GLU   1 -14.419   8.990   5.035
    4    HA   GLU   1           HA       GLU   1 -12.927   7.211   4.549
    5   1HB   GLU   1          2HB       GLU   1 -15.413   7.764   3.308
    6   2HB   GLU   1          1HB       GLU   1 -14.409   7.041   2.052
    7   1HG   GLU   1          2HG       GLU   1 -15.166   5.095   2.997
    8   2HG   GLU   1          1HG       GLU   1 -13.814   5.380   4.095
    9    H    GLN   2           HN       GLN   2 -11.007   6.700   3.564
   10    HA   GLN   2           HA       GLN   2 -10.000   8.446   1.389
   11   1HB   GLN   2          2HB       GLN   2  -8.912   7.395   3.656
   12   2HB   GLN   2          1HB       GLN   2  -8.395   6.196   2.471
   13   1HG   GLN   2          2HG       GLN   2  -6.666   7.823   2.467
   14   2HG   GLN   2          1HG       GLN   2  -7.633   8.194   1.037
   15   1HE2  GLN   2          1HE2      GLN   2  -6.458   9.473   4.025
   16   2HE2  GLN   2          2HE2      GLN   2  -7.329  10.929   3.996
   17    H    TYR   3           HN       TYR   3  -8.687   7.210  -0.368
   18    HA   TYR   3           HA       TYR   3 -10.349   5.654  -1.981
   19   1HB   TYR   3          2HB       TYR   3  -8.163   5.015  -3.107
   20   2HB   TYR   3          1HB       TYR   3  -8.455   6.738  -2.890
   21    HD1  TYR   3           1HD      TYR   3  -6.768   8.027  -2.049
   22    HD2  TYR   3           2HD      TYR   3  -6.901   3.861  -0.997
   23    HE1  TYR   3           1HE      TYR   3  -4.661   8.279  -0.787
   24    HE2  TYR   3           2HE      TYR   3  -4.792   4.126   0.259
   25    HH   TYR   3           HH       TYR   3  -2.712   5.920   0.019
   26    H    THR   4           HN       THR   4 -10.358   3.401  -2.536
   27    HA   THR   4           HA       THR   4  -9.632   1.621  -0.242
   28    HB   THR   4           HB       THR   4 -11.586   1.184  -2.522
   29    HG1  THR   4           1HG      THR   4 -12.678   2.655  -1.506
   30   1HG2  THR   4          1HG2      THR   4 -11.035  -0.192   0.107
   31   2HG2  THR   4          2HG2      THR   4 -11.054  -0.897  -1.510
   32   3HG2  THR   4          3HG2      THR   4 -12.563  -0.394  -0.749
   33    H    ALA   5           HN       ALA   5  -7.436   2.083  -1.674
   34    HA   ALA   5           HA       ALA   5  -6.948   0.673  -4.080
   35   1HB   ALA   5          1HB       ALA   5  -5.537   2.207  -2.217
   36   2HB   ALA   5          2HB       ALA   5  -4.870   1.513  -3.694
   37   3HB   ALA   5          3HB       ALA   5  -4.729   0.634  -2.163
   38    H    LYS   6           HN       LYS   6  -4.871  -1.060  -3.535
   39    HA   LYS   6           HA       LYS   6  -5.198  -2.997  -1.539
   40   1HB   LYS   6          2HB       LYS   6  -7.233  -3.103  -3.535
   41   2HB   LYS   6          1HB       LYS   6  -6.221  -4.537  -3.700
   42   1HG   LYS   6          2HG       LYS   6  -6.473  -4.714  -1.117
   43   2HG   LYS   6          1HG       LYS   6  -7.854  -3.640  -1.346
   44   1HD   LYS   6          2HD       LYS   6  -7.533  -6.140  -3.000
   45   2HD   LYS   6          1HD       LYS   6  -8.303  -6.188  -1.413
   46   1HE   LYS   6          2HE       LYS   6 -10.101  -4.835  -2.102
   47   2HE   LYS   6          1HE       LYS   6  -9.196  -4.172  -3.477
   48   1HZ   LYS   6          1HZ       LYS   6 -10.701  -5.850  -4.276
   49   2HZ   LYS   6          2HZ       LYS   6 -10.113  -6.980  -3.152
   50   3HZ   LYS   6          3HZ       LYS   6  -9.113  -6.436  -4.409
   51    H    TYR   7           HN       TYR   7  -3.644  -4.501  -1.655
   52    HA   TYR   7           HA       TYR   7  -2.036  -4.781  -4.153
   53   1HB   TYR   7          2HB       TYR   7  -1.163  -3.803  -1.425
   54   2HB   TYR   7          1HB       TYR   7  -0.020  -4.485  -2.567
   55    HD1  TYR   7           1HD      TYR   7   0.811  -3.211  -4.344
   56    HD2  TYR   7           2HD      TYR   7  -2.589  -1.865  -2.132
   57    HE1  TYR   7           1HE      TYR   7   0.942  -1.026  -5.485
   58    HE2  TYR   7           2HE      TYR   7  -2.513   0.308  -3.267
   59    HH   TYR   7           HH       TYR   7  -1.415   1.041  -5.766
   60    H    LYS   8           HN       LYS   8  -1.996  -6.982  -4.465
   61    HA   LYS   8           HA       LYS   8  -1.684  -9.282  -4.037
   62   1HB   LYS   8          2HB       LYS   8   0.132  -8.128  -2.493
   63   2HB   LYS   8          1HB       LYS   8  -0.936  -8.659  -1.194
   64   1HG   LYS   8          2HG       LYS   8   0.534 -10.480  -1.458
   65   2HG   LYS   8          1HG       LYS   8  -0.883 -10.965  -2.388
   66   1HD   LYS   8          2HD       LYS   8   0.165 -10.268  -4.462
   67   2HD   LYS   8          1HD       LYS   8   1.538  -9.590  -3.586
   68   1HE   LYS   8          2HE       LYS   8   2.080 -11.870  -2.718
   69   2HE   LYS   8          1HE       LYS   8   0.758 -12.525  -3.705
   70   1HZ   LYS   8          1HZ       LYS   8   1.795 -11.438  -5.650
   71   2HZ   LYS   8          2HZ       LYS   8   2.779 -12.643  -4.967
   72   3HZ   LYS   8          3HZ       LYS   8   3.117 -11.002  -4.680
   73    H    GLY   9           HN       GLY   9  -2.866  -7.894  -0.921
   74   1HA   GLY   9          2HA       GLY   9  -5.526  -8.965  -1.273
   75   2HA   GLY   9          1HA       GLY   9  -4.575  -9.998  -0.209
   76    H    ARG  10           HN       ARG  10  -4.201  -6.484  -0.373
   77    HA   ARG  10           HA       ARG  10  -5.677  -6.160   2.199
   78   1HB   ARG  10          2HB       ARG  10  -2.766  -5.442   1.712
   79   2HB   ARG  10          1HB       ARG  10  -3.670  -5.078   3.182
   80   1HG   ARG  10          2HG       ARG  10  -4.097  -7.549   3.437
   81   2HG   ARG  10          1HG       ARG  10  -2.992  -7.820   2.089
   82   1HD   ARG  10          2HD       ARG  10  -1.139  -7.348   3.353
   83   2HD   ARG  10          1HD       ARG  10  -1.963  -6.062   4.252
   84    HE   ARG  10           HE       ARG  10  -3.277  -8.250   5.152
   85   1HH1  ARG  10          1HH2      ARG  10  -0.827  -9.825   4.257
   86   2HH1  ARG  10          2HH2      ARG  10   0.096  -9.868   5.723
   87   1HH2  ARG  10          1HH1      ARG  10  -1.712  -7.329   7.246
   88   2HH2  ARG  10          2HH1      ARG  10  -0.406  -8.454   7.416
   89    H    THR  11           HN       THR  11  -7.005  -4.400   1.823
   90    HA   THR  11           HA       THR  11  -6.575  -2.504  -0.321
   91    HB   THR  11           HB       THR  11  -8.319  -2.312   2.161
   92    HG1  THR  11           1HG      THR  11  -9.673  -3.610   1.177
   93   1HG2  THR  11          1HG2      THR  11  -9.349  -0.528   1.192
   94   2HG2  THR  11          2HG2      THR  11  -9.225  -1.213  -0.428
   95   3HG2  THR  11          3HG2      THR  11  -7.846  -0.372   0.282
   96    H    PHE  12           HN       PHE  12  -5.854  -0.292  -0.143
   97    HA   PHE  12           HA       PHE  12  -4.464   0.373   2.432
   98   1HB   PHE  12          2HB       PHE  12  -3.797   0.882  -0.479
   99   2HB   PHE  12          1HB       PHE  12  -3.056   1.835   0.819
  100    HD1  PHE  12           1HD      PHE  12  -1.236   0.939   2.068
  101    HD2  PHE  12           2HD      PHE  12  -3.723  -1.605  -0.318
  102    HE1  PHE  12           1HE      PHE  12   0.328  -0.948   2.479
  103    HE2  PHE  12           2HE      PHE  12  -2.189  -3.519   0.138
  104    HZ   PHE  12           HZ       PHE  12  -0.164  -3.185   1.525
  105    H    ARG  13           HN       ARG  13  -5.245   2.134   3.476
  106    HA   ARG  13           HA       ARG  13  -6.873   4.125   1.930
  107   1HB   ARG  13          2HB       ARG  13  -8.290   4.248   3.979
  108   2HB   ARG  13          1HB       ARG  13  -8.262   2.621   3.302
  109   1HG   ARG  13          2HG       ARG  13  -6.633   1.898   4.950
  110   2HG   ARG  13          1HG       ARG  13  -6.457   3.545   5.556
  111   1HD   ARG  13          2HD       ARG  13  -7.998   2.772   7.105
  112   2HD   ARG  13          1HD       ARG  13  -9.137   3.262   5.835
  113    HE   ARG  13           HE       ARG  13  -8.191   0.471   6.298
  114   1HH1  ARG  13          1HH1      ARG  13 -10.950   2.217   6.055
  115   2HH1  ARG  13          2HH1      ARG  13 -11.676   1.300   4.777
  116   1HH2  ARG  13          1HH2      ARG  13  -8.790  -0.486   4.063
  117   2HH2  ARG  13          2HH2      ARG  13 -10.452  -0.231   3.649
  118    H    ASN  14           HN       ASN  14  -4.031   4.259   2.542
  119    HA   ASN  14           HA       ASN  14  -3.963   6.873   3.869
  120   1HB   ASN  14          2HB       ASN  14  -4.041   5.388   5.791
  121   2HB   ASN  14          1HB       ASN  14  -2.758   4.379   5.121
  122   1HD2  ASN  14          1HD2      ASN  14  -3.305   7.840   5.929
  123   2HD2  ASN  14          2HD2      ASN  14  -1.760   8.092   6.589
  124    H    GLU  15           HN       GLU  15  -2.407   8.017   2.836
  125    HA   GLU  15           HA       GLU  15  -0.762   6.990   0.759
  126   1HB   GLU  15          2HB       GLU  15  -1.538   9.418   1.678
  127   2HB   GLU  15          1HB       GLU  15   0.128   9.398   2.259
  128   1HG   GLU  15          2HG       GLU  15   1.000   9.111   0.060
  129   2HG   GLU  15          1HG       GLU  15  -0.585   8.690  -0.592
  130    H    LYS  16           HN       LYS  16  -0.054   7.517   4.207
  131    HA   LYS  16           HA       LYS  16   2.738   7.126   4.165
  132   1HB   LYS  16          2HB       LYS  16   0.824   7.664   6.021
  133   2HB   LYS  16          1HB       LYS  16   1.222   5.998   6.438
  134   1HG   LYS  16          2HG       LYS  16   3.598   6.582   6.613
  135   2HG   LYS  16          1HG       LYS  16   3.241   8.242   6.138
  136   1HD   LYS  16          2HD       LYS  16   1.745   7.103   8.462
  137   2HD   LYS  16          1HD       LYS  16   3.433   7.553   8.707
  138   1HE   LYS  16          2HE       LYS  16   1.657   9.510   7.288
  139   2HE   LYS  16          1HE       LYS  16   1.508   9.357   9.051
  140   1HZ   LYS  16          1HZ       LYS  16   4.077   9.706   7.598
  141   2HZ   LYS  16          2HZ       LYS  16   3.867   9.658   9.283
  142   3HZ   LYS  16          3HZ       LYS  16   3.245  10.957   8.383
  143    H    GLU  17           HN       GLU  17   0.146   4.782   4.563
  144    HA   GLU  17           HA       GLU  17   1.783   2.441   4.867
  145   1HB   GLU  17          2HB       GLU  17  -1.033   2.874   3.819
  146   2HB   GLU  17          1HB       GLU  17  -0.368   1.294   4.229
  147   1HG   GLU  17          2HG       GLU  17  -0.578   3.627   6.152
  148   2HG   GLU  17          1HG       GLU  17  -1.707   2.273   6.084
  149    H    LEU  18           HN       LEU  18  -0.058   3.558   2.012
  150    HA   LEU  18           HA       LEU  18   0.933   1.700   0.132
  151   1HB   LEU  18          2HB       LEU  18  -0.856   3.742   0.176
  152   2HB   LEU  18          1HB       LEU  18   0.439   4.509  -0.738
  153    HG   LEU  18           HG       LEU  18   0.406   2.698  -2.375
  154   1HD1  LEU  18          1HD1      LEU  18  -0.962   1.300  -0.278
  155   2HD1  LEU  18          2HD1      LEU  18  -0.371   0.640  -1.794
  156   3HD1  LEU  18          3HD1      LEU  18  -2.001   1.311  -1.690
  157   1HD2  LEU  18          1HD2      LEU  18  -2.498   3.323  -2.030
  158   2HD2  LEU  18          2HD2      LEU  18  -1.499   3.411  -3.481
  159   3HD2  LEU  18          3HD2      LEU  18  -1.373   4.664  -2.246
  160    H    ARG  19           HN       ARG  19   2.211   4.959   0.891
  161    HA   ARG  19           HA       ARG  19   4.390   4.917  -0.956
  162   1HB   ARG  19          2HB       ARG  19   3.838   6.284   1.679
  163   2HB   ARG  19          1HB       ARG  19   5.323   6.587   0.778
  164   1HG   ARG  19          2HG       ARG  19   2.744   6.729  -0.715
  165   2HG   ARG  19          1HG       ARG  19   3.137   8.062   0.372
  166   1HD   ARG  19          2HD       ARG  19   5.228   7.070  -1.555
  167   2HD   ARG  19          1HD       ARG  19   3.967   8.184  -2.116
  168    HE   ARG  19           HE       ARG  19   4.679   9.564  -0.015
  169   1HH1  ARG  19          1HH1      ARG  19   6.998   7.602   0.442
  170   2HH1  ARG  19          2HH1      ARG  19   8.310   8.487  -0.261
  171   1HH2  ARG  19          1HH2      ARG  19   6.258  10.711  -1.950
  172   2HH2  ARG  19          2HH2      ARG  19   7.893  10.246  -1.613
  173    H    ASP  20           HN       ASP  20   3.921   3.247   2.068
  174    HA   ASP  20           HA       ASP  20   6.825   2.632   2.317
  175   1HB   ASP  20          2HB       ASP  20   4.999   3.349   4.148
  176   2HB   ASP  20          1HB       ASP  20   4.739   1.605   4.191
  177    H    PHE  21           HN       PHE  21   3.698   1.108   1.609
  178    HA   PHE  21           HA       PHE  21   4.596  -1.634   1.791
  179   1HB   PHE  21          2HB       PHE  21   2.243  -0.923   1.860
  180   2HB   PHE  21          1HB       PHE  21   2.326  -0.393   0.192
  181    HD1  PHE  21           1HD      PHE  21   2.250  -1.981  -1.636
  182    HD2  PHE  21           2HD      PHE  21   2.684  -3.287   2.428
  183    HE1  PHE  21           1HE      PHE  21   1.913  -4.332  -2.354
  184    HE2  PHE  21           2HE      PHE  21   2.319  -5.644   1.718
  185    HZ   PHE  21           HZ       PHE  21   1.939  -6.163  -0.679
  186    H    ILE  22           HN       ILE  22   3.567  -0.039  -1.221
  187    HA   ILE  22           HA       ILE  22   4.825  -1.725  -3.062
  188    HB   ILE  22           HB       ILE  22   4.325   1.273  -3.194
  189   1HG1  ILE  22          2HG1      ILE  22   2.402  -0.049  -4.678
  190   2HG1  ILE  22          1HG1      ILE  22   2.632  -1.133  -3.315
  191   1HG2  ILE  22          1HG2      ILE  22   4.387   1.024  -5.598
  192   2HG2  ILE  22          2HG2      ILE  22   4.557  -0.725  -5.457
  193   3HG2  ILE  22          3HG2      ILE  22   5.880   0.332  -4.964
  194   1HD1  ILE  22          1HD1      ILE  22   1.652   0.296  -1.867
  195   2HD1  ILE  22          2HD1      ILE  22   1.008   1.073  -3.311
  196   3HD1  ILE  22          3HD1      ILE  22   2.472   1.698  -2.557
  197    H    GLU  23           HN       GLU  23   6.178   0.967  -1.236
  198    HA   GLU  23           HA       GLU  23   8.700   1.153  -2.654
  199   1HB   GLU  23          2HB       GLU  23   7.686   2.913  -1.202
  200   2HB   GLU  23          1HB       GLU  23   7.948   1.876   0.201
  201   1HG   GLU  23          2HG       GLU  23  10.337   1.965  -0.080
  202   2HG   GLU  23          1HG       GLU  23  10.178   2.767  -1.643
  203    H    LYS  24           HN       LYS  24   7.482  -0.826  -0.010
  204    HA   LYS  24           HA       LYS  24  10.159  -1.961   0.566
  205   1HB   LYS  24          2HB       LYS  24   7.374  -2.112   1.711
  206   2HB   LYS  24          1HB       LYS  24   8.594  -3.289   2.199
  207   1HG   LYS  24          2HG       LYS  24   9.636  -0.554   2.246
  208   2HG   LYS  24          1HG       LYS  24   8.230  -0.742   3.292
  209   1HD   LYS  24          2HD       LYS  24  10.457  -2.769   3.355
  210   2HD   LYS  24          1HD       LYS  24  10.580  -1.272   4.279
  211   1HE   LYS  24          2HE       LYS  24   8.249  -1.854   5.221
  212   2HE   LYS  24          1HE       LYS  24   8.535  -3.481   4.572
  213   1HZ   LYS  24          1HZ       LYS  24   9.366  -3.201   6.872
  214   2HZ   LYS  24          2HZ       LYS  24  10.442  -2.012   6.312
  215   3HZ   LYS  24          3HZ       LYS  24  10.588  -3.615   5.771
  216    H    PHE  25           HN       PHE  25   6.940  -3.082  -0.527
  217    HA   PHE  25           HA       PHE  25   8.216  -5.530  -1.598
  218   1HB   PHE  25          2HB       PHE  25   6.491  -5.806   0.149
  219   2HB   PHE  25          1HB       PHE  25   5.346  -4.913  -0.853
  220    HD1  PHE  25           1HD      PHE  25   3.941  -6.104  -2.272
  221    HD2  PHE  25           2HD      PHE  25   7.677  -7.841  -1.073
  222    HE1  PHE  25           1HE      PHE  25   3.351  -8.196  -3.470
  223    HE2  PHE  25           2HE      PHE  25   7.093  -9.934  -2.270
  224    HZ   PHE  25           HZ       PHE  25   4.928 -10.112  -3.471
  225    H    LYS  26           HN       LYS  26   8.793  -3.816  -3.403
  226    HA   LYS  26           HA       LYS  26   6.834  -2.747  -5.158
  227   1HB   LYS  26          2HB       LYS  26   9.714  -3.444  -5.206
  228   2HB   LYS  26          1HB       LYS  26   8.950  -3.259  -6.786
  229   1HG   LYS  26          2HG       LYS  26   7.936  -1.085  -5.510
  230   2HG   LYS  26          1HG       LYS  26   9.497  -1.221  -4.700
  231   1HD   LYS  26          2HD       LYS  26  10.688  -1.084  -6.774
  232   2HD   LYS  26          1HD       LYS  26   9.206  -1.285  -7.710
  233   1HE   LYS  26          2HE       LYS  26   9.040   0.978  -7.777
  234   2HE   LYS  26          1HE       LYS  26   8.747   0.951  -6.027
  235   1HZ   LYS  26          1HZ       LYS  26  11.426   0.914  -7.316
  236   2HZ   LYS  26          2HZ       LYS  26  11.121   0.924  -5.645
  237   3HZ   LYS  26          3HZ       LYS  26  10.714   2.274  -6.594
  238    H    GLY  27           HN       GLY  27   7.928  -6.004  -4.754
  239   1HA   GLY  27          2HA       GLY  27   7.254  -8.009  -5.771
  240   2HA   GLY  27          1HA       GLY  27   5.861  -7.117  -6.384
  241    H    ARG  28           HN       ARG  28   9.232  -7.948  -7.043
  242    HA   ARG  28           HA       ARG  28   9.262  -6.706  -9.688
  243   1HB   ARG  28          2HB       ARG  28  11.460  -7.856  -9.814
  244   2HB   ARG  28          1HB       ARG  28  11.272  -6.987  -8.292
  245   1HG   ARG  28          2HG       ARG  28  11.537  -8.889  -7.115
  246   2HG   ARG  28          1HG       ARG  28  10.218  -9.660  -7.995
  247   1HD   ARG  28          2HD       ARG  28  11.654 -10.842  -9.308
  248   2HD   ARG  28          1HD       ARG  28  12.694  -9.429  -9.580
  249    HE   ARG  28           HE       ARG  28  12.788 -10.621  -6.875
  250   1HH1  ARG  28          1HH1      ARG  28  13.894 -11.861  -9.691
  251   2HH1  ARG  28          2HH1      ARG  28  15.584 -11.667  -9.368
  252   1HH2  ARG  28          1HH2      ARG  28  15.093  -9.669  -6.579
  253   2HH2  ARG  28          2HH2      ARG  28  16.262 -10.426  -7.606
  Start of MODEL   22
    1   1H    GLU   1          1HT       GLU   1 -10.692   8.497   6.094
    2   2H    GLU   1          2HT       GLU   1  -9.752   7.133   5.716
    3   3H    GLU   1          3HT       GLU   1 -11.075   6.992   6.774
    4    HA   GLU   1           HA       GLU   1 -11.801   6.117   4.703
    5   1HB   GLU   1          2HB       GLU   1 -12.707   8.715   5.783
    6   2HB   GLU   1          1HB       GLU   1 -13.286   8.365   4.154
    7   1HG   GLU   1          2HG       GLU   1 -13.808   5.988   5.200
    8   2HG   GLU   1          1HG       GLU   1 -13.819   6.897   6.712
    9    H    GLN   2           HN       GLN   2 -10.164   5.914   3.088
   10    HA   GLN   2           HA       GLN   2 -10.049   8.180   1.139
   11   1HB   GLN   2          2HB       GLN   2  -7.956   7.125   2.855
   12   2HB   GLN   2          1HB       GLN   2  -7.523   6.902   1.161
   13   1HG   GLN   2          2HG       GLN   2  -8.494   9.533   2.306
   14   2HG   GLN   2          1HG       GLN   2  -6.790   9.113   2.127
   15   1HE2  GLN   2          1HE2      GLN   2  -6.461  10.803   0.496
   16   2HE2  GLN   2          2HE2      GLN   2  -7.082  10.639  -1.075
   17    H    TYR   3           HN       TYR   3  -8.380   6.988  -0.704
   18    HA   TYR   3           HA       TYR   3  -9.978   5.372  -2.286
   19   1HB   TYR   3          2HB       TYR   3  -7.752   4.648  -3.300
   20   2HB   TYR   3          1HB       TYR   3  -8.027   6.383  -3.166
   21    HD1  TYR   3           1HD      TYR   3  -6.324   7.669  -2.330
   22    HD2  TYR   3           2HD      TYR   3  -6.633   3.580  -1.057
   23    HE1  TYR   3           1HE      TYR   3  -4.283   7.936  -0.965
   24    HE2  TYR   3           2HE      TYR   3  -4.603   3.851   0.300
   25    HH   TYR   3           HH       TYR   3  -3.140   6.953   0.860
   26    H    THR   4           HN       THR   4  -9.857   3.065  -2.838
   27    HA   THR   4           HA       THR   4  -9.381   1.366  -0.419
   28    HB   THR   4           HB       THR   4 -10.995   0.678  -2.880
   29    HG1  THR   4           1HG      THR   4 -11.916   2.018  -0.559
   30   1HG2  THR   4          1HG2      THR   4 -11.218  -0.122   0.035
   31   2HG2  THR   4          2HG2      THR   4 -10.500  -1.107  -1.239
   32   3HG2  THR   4          3HG2      THR   4 -12.222  -0.726  -1.284
   33    H    ALA   5           HN       ALA   5  -7.238   2.156  -2.288
   34    HA   ALA   5           HA       ALA   5  -6.542   0.342  -4.293
   35   1HB   ALA   5          1HB       ALA   5  -5.386   2.448  -3.091
   36   2HB   ALA   5          2HB       ALA   5  -4.471   1.318  -4.092
   37   3HB   ALA   5          3HB       ALA   5  -4.450   1.151  -2.332
   38    H    LYS   6           HN       LYS   6  -6.218  -1.847  -4.251
   39    HA   LYS   6           HA       LYS   6  -5.509  -3.118  -1.633
   40   1HB   LYS   6          2HB       LYS   6  -6.577  -5.148  -2.646
   41   2HB   LYS   6          1HB       LYS   6  -7.685  -3.794  -2.440
   42   1HG   LYS   6          2HG       LYS   6  -7.887  -3.435  -4.700
   43   2HG   LYS   6          1HG       LYS   6  -6.238  -3.957  -5.038
   44   1HD   LYS   6          2HD       LYS   6  -7.205  -6.306  -4.220
   45   2HD   LYS   6          1HD       LYS   6  -8.723  -5.590  -4.762
   46   1HE   LYS   6          2HE       LYS   6  -8.069  -5.547  -6.983
   47   2HE   LYS   6          1HE       LYS   6  -6.350  -5.368  -6.579
   48   1HZ   LYS   6          1HZ       LYS   6  -8.024  -7.802  -6.268
   49   2HZ   LYS   6          2HZ       LYS   6  -6.469  -7.643  -5.607
   50   3HZ   LYS   6          3HZ       LYS   6  -6.682  -7.603  -7.292
   51    H    TYR   7           HN       TYR   7  -3.765  -4.480  -1.538
   52    HA   TYR   7           HA       TYR   7  -2.218  -4.960  -4.064
   53   1HB   TYR   7          2HB       TYR   7  -1.293  -3.976  -1.361
   54   2HB   TYR   7          1HB       TYR   7  -0.196  -4.565  -2.595
   55    HD1  TYR   7           1HD      TYR   7   0.540  -3.190  -4.282
   56    HD2  TYR   7           2HD      TYR   7  -2.934  -2.116  -2.033
   57    HE1  TYR   7           1HE      TYR   7   0.527  -0.984  -5.392
   58    HE2  TYR   7           2HE      TYR   7  -2.987   0.099  -3.124
   59    HH   TYR   7           HH       TYR   7  -1.152   0.799  -5.914
   60    H    LYS   8           HN       LYS   8  -2.127  -7.161  -4.310
   61    HA   LYS   8           HA       LYS   8  -2.025  -9.469  -3.782
   62   1HB   LYS   8          2HB       LYS   8  -0.149  -7.947  -2.069
   63   2HB   LYS   8          1HB       LYS   8  -0.489  -9.590  -1.524
   64   1HG   LYS   8          2HG       LYS   8   0.102  -9.156  -4.426
   65   2HG   LYS   8          1HG       LYS   8   1.445  -9.116  -3.282
   66   1HD   LYS   8          2HD       LYS   8   0.870 -11.333  -2.455
   67   2HD   LYS   8          1HD       LYS   8  -0.571 -11.372  -3.471
   68   1HE   LYS   8          2HE       LYS   8   1.184 -12.645  -4.591
   69   2HE   LYS   8          1HE       LYS   8   0.956 -11.129  -5.486
   70   1HZ   LYS   8          1HZ       LYS   8   2.903 -11.425  -3.267
   71   2HZ   LYS   8          2HZ       LYS   8   2.778 -10.143  -4.375
   72   3HZ   LYS   8          3HZ       LYS   8   3.322 -11.661  -4.897
   73    H    GLY   9           HN       GLY   9  -4.189  -7.739  -2.431
   74   1HA   GLY   9          2HA       GLY   9  -6.067  -8.638  -1.200
   75   2HA   GLY   9          1HA       GLY   9  -4.976  -9.789  -0.429
   76    H    ARG  10           HN       ARG  10  -4.466  -6.286  -0.734
   77    HA   ARG  10           HA       ARG  10  -5.000  -5.926   2.179
   78   1HB   ARG  10          2HB       ARG  10  -2.390  -5.295   0.757
   79   2HB   ARG  10          1HB       ARG  10  -2.746  -4.920   2.443
   80   1HG   ARG  10          2HG       ARG  10  -3.135  -7.376   2.834
   81   2HG   ARG  10          1HG       ARG  10  -2.566  -7.674   1.190
   82   1HD   ARG  10          2HD       ARG  10  -0.373  -6.894   1.688
   83   2HD   ARG  10          1HD       ARG  10  -0.904  -6.135   3.201
   84    HE   ARG  10           HE       ARG  10  -1.054  -9.099   2.811
   85   1HH1  ARG  10          1HH2      ARG  10  -2.173  -7.920   5.311
   86   2HH1  ARG  10          2HH2      ARG  10  -0.844  -8.057   6.413
   87   1HH2  ARG  10          1HH1      ARG  10   1.512  -8.573   3.923
   88   2HH2  ARG  10          2HH1      ARG  10   1.242  -8.425   5.628
   89    H    THR  11           HN       THR  11  -6.559  -4.298   1.949
   90    HA   THR  11           HA       THR  11  -6.473  -2.299  -0.136
   91    HB   THR  11           HB       THR  11  -7.982  -2.317   2.487
   92    HG1  THR  11           1HG      THR  11  -9.557  -3.393   1.312
   93   1HG2  THR  11          1HG2      THR  11  -8.424  -0.217   1.660
   94   2HG2  THR  11          2HG2      THR  11  -9.608  -1.116   0.713
   95   3HG2  THR  11          3HG2      THR  11  -8.054  -0.676   0.000
   96    H    PHE  12           HN       PHE  12  -6.244   0.062   0.261
   97    HA   PHE  12           HA       PHE  12  -4.473   0.703   2.591
   98   1HB   PHE  12          2HB       PHE  12  -4.175   1.224  -0.372
   99   2HB   PHE  12          1HB       PHE  12  -3.435   2.332   0.804
  100    HD1  PHE  12           1HD      PHE  12  -1.566   1.615   2.210
  101    HD2  PHE  12           2HD      PHE  12  -3.600  -1.091  -0.436
  102    HE1  PHE  12           1HE      PHE  12   0.260  -0.053   2.513
  103    HE2  PHE  12           2HE      PHE  12  -1.800  -2.764  -0.089
  104    HZ   PHE  12           HZ       PHE  12   0.127  -2.248   1.375
  105    H    ARG  13           HN       ARG  13  -5.249   2.357   3.785
  106    HA   ARG  13           HA       ARG  13  -7.121   4.321   2.500
  107   1HB   ARG  13          2HB       ARG  13  -7.302   2.588   4.895
  108   2HB   ARG  13          1HB       ARG  13  -7.817   4.255   5.153
  109   1HG   ARG  13          2HG       ARG  13  -9.657   4.031   3.825
  110   2HG   ARG  13          1HG       ARG  13  -8.810   3.021   2.652
  111   1HD   ARG  13          2HD       ARG  13  -9.107   1.053   3.986
  112   2HD   ARG  13          1HD       ARG  13  -9.631   2.002   5.390
  113    HE   ARG  13           HE       ARG  13 -11.197   1.994   2.839
  114   1HH1  ARG  13          1HH2      ARG  13 -11.448   0.094   5.396
  115   2HH1  ARG  13          2HH2      ARG  13 -12.901   0.757   6.066
  116   1HH2  ARG  13          1HH1      ARG  13 -12.845   3.590   4.071
  117   2HH2  ARG  13          2HH1      ARG  13 -13.693   2.736   5.316
  118    H    ASN  14           HN       ASN  14  -4.238   4.555   2.783
  119    HA   ASN  14           HA       ASN  14  -4.079   7.147   4.105
  120   1HB   ASN  14          2HB       ASN  14  -3.884   4.919   5.743
  121   2HB   ASN  14          1HB       ASN  14  -2.194   5.292   5.407
  122   1HD2  ASN  14          1HD2      ASN  14  -1.306   7.232   6.318
  123   2HD2  ASN  14          2HD2      ASN  14  -2.183   8.238   7.366
  124    H    GLU  15           HN       GLU  15  -2.427   8.270   3.133
  125    HA   GLU  15           HA       GLU  15  -0.907   7.157   0.975
  126   1HB   GLU  15          2HB       GLU  15  -1.618   9.606   1.690
  127   2HB   GLU  15          1HB       GLU  15  -0.046   9.603   2.490
  128   1HG   GLU  15          2HG       GLU  15   1.122   9.320   0.466
  129   2HG   GLU  15          1HG       GLU  15  -0.309   8.738  -0.384
  130    H    LYS  16           HN       LYS  16  -0.031   7.868   4.359
  131    HA   LYS  16           HA       LYS  16   2.727   7.356   4.264
  132   1HB   LYS  16          2HB       LYS  16   1.421   8.291   6.165
  133   2HB   LYS  16          1HB       LYS  16   0.758   6.682   6.459
  134   1HG   LYS  16          2HG       LYS  16   3.271   5.949   6.548
  135   2HG   LYS  16          1HG       LYS  16   3.577   7.662   6.838
  136   1HD   LYS  16          2HD       LYS  16   2.623   7.622   8.918
  137   2HD   LYS  16          1HD       LYS  16   1.399   6.443   8.446
  138   1HE   LYS  16          2HE       LYS  16   2.762   4.631   8.925
  139   2HE   LYS  16          1HE       LYS  16   4.250   5.524   8.552
  140   1HZ   LYS  16          1HZ       LYS  16   3.967   5.235  10.950
  141   2HZ   LYS  16          2HZ       LYS  16   2.472   6.038  10.880
  142   3HZ   LYS  16          3HZ       LYS  16   3.907   6.874  10.520
  143    H    GLU  17           HN       GLU  17   0.073   5.102   4.723
  144    HA   GLU  17           HA       GLU  17   1.646   2.734   5.172
  145   1HB   GLU  17          2HB       GLU  17  -1.155   3.232   4.118
  146   2HB   GLU  17          1HB       GLU  17  -0.546   1.627   4.520
  147   1HG   GLU  17          2HG       GLU  17  -0.643   3.959   6.449
  148   2HG   GLU  17          1HG       GLU  17  -1.838   2.665   6.378
  149    H    LEU  18           HN       LEU  18  -0.352   3.398   2.305
  150    HA   LEU  18           HA       LEU  18   0.750   1.513   0.574
  151   1HB   LEU  18          2HB       LEU  18  -1.286   3.074   0.374
  152   2HB   LEU  18          1HB       LEU  18  -0.159   4.270  -0.264
  153    HG   LEU  18           HG       LEU  18   0.535   2.602  -1.997
  154   1HD1  LEU  18          1HD1      LEU  18  -0.530   0.695  -0.455
  155   2HD1  LEU  18          2HD1      LEU  18  -0.464   0.523  -2.183
  156   3HD1  LEU  18          3HD1      LEU  18  -1.954   1.044  -1.420
  157   1HD2  LEU  18          1HD2      LEU  18  -2.449   2.999  -2.114
  158   2HD2  LEU  18          2HD2      LEU  18  -1.272   3.101  -3.424
  159   3HD2  LEU  18          3HD2      LEU  18  -1.351   4.376  -2.208
  160    H    ARG  19           HN       ARG  19   1.889   4.855   1.095
  161    HA   ARG  19           HA       ARG  19   3.894   4.891  -0.940
  162   1HB   ARG  19          2HB       ARG  19   3.565   6.241   1.748
  163   2HB   ARG  19          1HB       ARG  19   4.911   6.619   0.675
  164   1HG   ARG  19          2HG       ARG  19   2.258   6.622  -0.630
  165   2HG   ARG  19          1HG       ARG  19   2.483   7.876   0.587
  166   1HD   ARG  19          2HD       ARG  19   4.785   7.528  -1.242
  167   2HD   ARG  19          1HD       ARG  19   3.305   8.143  -2.005
  168    HE   ARG  19           HE       ARG  19   3.491  10.106  -0.686
  169   1HH1  ARG  19          1HH2      ARG  19   3.809   8.562   1.925
  170   2HH1  ARG  19          2HH2      ARG  19   5.365   9.111   2.451
  171   1HH2  ARG  19          1HH1      ARG  19   6.251  10.401  -0.643
  172   2HH2  ARG  19          2HH1      ARG  19   6.747  10.152   0.998
  173    H    ASP  20           HN       ASP  20   3.764   3.233   2.123
  174    HA   ASP  20           HA       ASP  20   6.696   2.703   2.094
  175   1HB   ASP  20          2HB       ASP  20   4.435   2.571   4.065
  176   2HB   ASP  20          1HB       ASP  20   5.881   1.601   4.357
  177    H    PHE  21           HN       PHE  21   3.688   1.211   1.217
  178    HA   PHE  21           HA       PHE  21   4.545  -1.557   1.656
  179   1HB   PHE  21          2HB       PHE  21   2.213  -0.874   1.769
  180   2HB   PHE  21          1HB       PHE  21   2.237  -0.329   0.104
  181    HD1  PHE  21           1HD      PHE  21   2.114  -1.915  -1.727
  182    HD2  PHE  21           2HD      PHE  21   2.636  -3.238   2.315
  183    HE1  PHE  21           1HE      PHE  21   1.725  -4.255  -2.448
  184    HE2  PHE  21           2HE      PHE  21   2.218  -5.589   1.607
  185    HZ   PHE  21           HZ       PHE  21   1.769  -6.094  -0.781
  186    H    ILE  22           HN       ILE  22   3.437  -0.119  -1.409
  187    HA   ILE  22           HA       ILE  22   4.558  -1.887  -3.225
  188    HB   ILE  22           HB       ILE  22   4.216   1.123  -3.407
  189   1HG1  ILE  22          2HG1      ILE  22   2.242  -0.147  -4.881
  190   2HG1  ILE  22          1HG1      ILE  22   2.445  -1.227  -3.507
  191   1HG2  ILE  22          1HG2      ILE  22   4.196   0.804  -5.835
  192   2HG2  ILE  22          2HG2      ILE  22   4.454  -0.928  -5.627
  193   3HG2  ILE  22          3HG2      ILE  22   5.725   0.212  -5.183
  194   1HD1  ILE  22          1HD1      ILE  22   1.489   0.221  -2.086
  195   2HD1  ILE  22          2HD1      ILE  22   0.916   1.063  -3.525
  196   3HD1  ILE  22          3HD1      ILE  22   2.400   1.592  -2.730
  197    H    GLU  23           HN       GLU  23   6.149   0.734  -1.513
  198    HA   GLU  23           HA       GLU  23   8.639   0.673  -3.016
  199   1HB   GLU  23          2HB       GLU  23   7.802   2.581  -1.633
  200   2HB   GLU  23          1HB       GLU  23   8.023   1.598  -0.186
  201   1HG   GLU  23          2HG       GLU  23  10.022   2.808  -0.250
  202   2HG   GLU  23          1HG       GLU  23  10.474   1.317  -1.075
  203    H    LYS  24           HN       LYS  24   7.516  -0.779   0.035
  204    HA   LYS  24           HA       LYS  24  10.010  -2.178   0.587
  205   1HB   LYS  24          2HB       LYS  24   8.201  -1.486   2.231
  206   2HB   LYS  24          1HB       LYS  24   7.189  -2.762   1.553
  207   1HG   LYS  24          2HG       LYS  24   9.372  -4.228   2.022
  208   2HG   LYS  24          1HG       LYS  24   9.641  -2.984   3.242
  209   1HD   LYS  24          2HD       LYS  24   7.571  -3.450   4.323
  210   2HD   LYS  24          1HD       LYS  24   6.993  -4.414   2.963
  211   1HE   LYS  24          2HE       LYS  24   8.847  -6.056   3.408
  212   2HE   LYS  24          1HE       LYS  24   9.247  -5.132   4.869
  213   1HZ   LYS  24          1HZ       LYS  24   6.597  -6.314   4.225
  214   2HZ   LYS  24          2HZ       LYS  24   6.942  -5.373   5.596
  215   3HZ   LYS  24          3HZ       LYS  24   7.680  -6.890   5.397
  216    H    PHE  25           HN       PHE  25   6.835  -3.097  -0.760
  217    HA   PHE  25           HA       PHE  25   7.380  -5.834  -1.238
  218   1HB   PHE  25          2HB       PHE  25   5.138  -5.046  -1.284
  219   2HB   PHE  25          1HB       PHE  25   5.530  -3.764  -2.423
  220    HD1  PHE  25           1HD      PHE  25   4.553  -4.077  -4.482
  221    HD2  PHE  25           2HD      PHE  25   6.040  -7.500  -2.360
  222    HE1  PHE  25           1HE      PHE  25   3.917  -5.522  -6.388
  223    HE2  PHE  25           2HE      PHE  25   5.400  -8.957  -4.265
  224    HZ   PHE  25           HZ       PHE  25   4.339  -7.969  -6.280
  225    H    LYS  26           HN       LYS  26   6.848  -3.948  -4.126
  226    HA   LYS  26           HA       LYS  26   9.573  -4.339  -5.152
  227   1HB   LYS  26          2HB       LYS  26   7.036  -5.625  -6.153
  228   2HB   LYS  26          1HB       LYS  26   8.541  -5.616  -7.080
  229   1HG   LYS  26          2HG       LYS  26   9.602  -6.639  -4.953
  230   2HG   LYS  26          1HG       LYS  26   7.940  -6.969  -4.460
  231   1HD   LYS  26          2HD       LYS  26   7.549  -8.364  -6.358
  232   2HD   LYS  26          1HD       LYS  26   9.025  -7.815  -7.154
  233   1HE   LYS  26          2HE       LYS  26   9.274  -9.114  -4.460
  234   2HE   LYS  26          1HE       LYS  26   9.001 -10.143  -5.881
  235   1HZ   LYS  26          1HZ       LYS  26  11.340  -9.798  -5.681
  236   2HZ   LYS  26          2HZ       LYS  26  11.144  -8.119  -5.521
  237   3HZ   LYS  26          3HZ       LYS  26  10.803  -8.873  -7.000
  238    H    GLY  27           HN       GLY  27   6.329  -3.824  -6.430
  239   1HA   GLY  27          2HA       GLY  27   5.415  -1.719  -7.183
  240   2HA   GLY  27          1HA       GLY  27   7.058  -1.087  -7.319
  241    H    ARG  28           HN       ARG  28   7.965  -3.605  -8.676
  242    HA   ARG  28           HA       ARG  28   6.717  -3.098 -11.360
  243   1HB   ARG  28          2HB       ARG  28   9.530  -3.461 -10.372
  244   2HB   ARG  28          1HB       ARG  28   9.138  -3.943 -12.024
  245   1HG   ARG  28          2HG       ARG  28   9.636  -1.741 -12.441
  246   2HG   ARG  28          1HG       ARG  28   7.942  -1.535 -12.000
  247   1HD   ARG  28          2HD       ARG  28   8.535  -0.253 -10.230
  248   2HD   ARG  28          1HD       ARG  28   9.553  -1.561  -9.595
  249    HE   ARG  28           HE       ARG  28  10.478   0.454 -11.606
  250   1HH1  ARG  28          1HH2      ARG  28  11.747  -2.386 -11.147
  251   2HH1  ARG  28          2HH2      ARG  28  13.122  -1.931 -10.198
  252   1HH2  ARG  28          1HH1      ARG  28  11.937   1.257  -9.525
  253   2HH2  ARG  28          2HH1      ARG  28  13.230   0.131  -9.280
  Start of MODEL   23
    1   1H    GLU   1          1HT       GLU   1 -18.017   7.303  -0.805
    2   2H    GLU   1          2HT       GLU   1 -16.861   7.492  -2.036
    3   3H    GLU   1          3HT       GLU   1 -16.874   8.553  -0.708
    4    HA   GLU   1           HA       GLU   1 -16.328   6.664   0.773
    5   1HB   GLU   1          2HB       GLU   1 -17.420   5.075  -0.870
    6   2HB   GLU   1          1HB       GLU   1 -15.988   5.244  -1.884
    7   1HG   GLU   1          2HG       GLU   1 -15.484   3.333  -0.626
    8   2HG   GLU   1          1HG       GLU   1 -14.681   4.609   0.288
    9    H    GLN   2           HN       GLN   2 -14.082   6.413   1.258
   10    HA   GLN   2           HA       GLN   2 -12.266   8.063  -0.420
   11   1HB   GLN   2          2HB       GLN   2 -12.750   8.003   2.238
   12   2HB   GLN   2          1HB       GLN   2 -11.419   6.848   2.164
   13   1HG   GLN   2          2HG       GLN   2  -9.875   8.460   1.636
   14   2HG   GLN   2          1HG       GLN   2 -10.999   9.308   0.572
   15   1HE2  GLN   2          1HE2      GLN   2 -12.583  10.797   1.614
   16   2HE2  GLN   2          2HE2      GLN   2 -12.250  11.446   3.147
   17    H    TYR   3           HN       TYR   3  -9.898   6.838   0.509
   18    HA   TYR   3           HA       TYR   3  -8.814   5.310  -1.337
   19   1HB   TYR   3          2HB       TYR   3  -8.666   5.405   1.595
   20   2HB   TYR   3          1HB       TYR   3  -7.973   3.941   0.896
   21    HD1  TYR   3           1HD      TYR   3  -7.705   7.553   1.202
   22    HD2  TYR   3           2HD      TYR   3  -6.166   4.054  -0.747
   23    HE1  TYR   3           1HE      TYR   3  -5.737   8.846   0.479
   24    HE2  TYR   3           2HE      TYR   3  -4.176   5.341  -1.486
   25    HH   TYR   3           HH       TYR   3  -3.589   7.750  -1.901
   26    H    THR   4           HN       THR   4  -8.694   3.316  -2.136
   27    HA   THR   4           HA       THR   4  -9.970   1.005  -0.893
   28    HB   THR   4           HB       THR   4 -10.897   1.590  -3.678
   29    HG1  THR   4           1HG      THR   4 -12.124   2.654  -1.354
   30   1HG2  THR   4          1HG2      THR   4 -11.552  -0.166  -1.421
   31   2HG2  THR   4          2HG2      THR   4 -11.916  -0.354  -3.139
   32   3HG2  THR   4          3HG2      THR   4 -12.975   0.617  -2.117
   33    H    ALA   5           HN       ALA   5  -7.288   2.003  -1.902
   34    HA   ALA   5           HA       ALA   5  -6.603   0.596  -4.313
   35   1HB   ALA   5          1HB       ALA   5  -5.505   2.549  -2.768
   36   2HB   ALA   5          2HB       ALA   5  -4.597   1.639  -3.978
   37   3HB   ALA   5          3HB       ALA   5  -4.525   1.158  -2.274
   38    H    LYS   6           HN       LYS   6  -6.156  -1.571  -4.508
   39    HA   LYS   6           HA       LYS   6  -5.404  -3.057  -2.016
   40   1HB   LYS   6          2HB       LYS   6  -6.449  -5.029  -3.190
   41   2HB   LYS   6          1HB       LYS   6  -7.584  -3.750  -2.767
   42   1HG   LYS   6          2HG       LYS   6  -7.953  -3.163  -4.947
   43   2HG   LYS   6          1HG       LYS   6  -6.306  -3.548  -5.442
   44   1HD   LYS   6          2HD       LYS   6  -8.001  -5.830  -4.564
   45   2HD   LYS   6          1HD       LYS   6  -8.407  -5.094  -6.114
   46   1HE   LYS   6          2HE       LYS   6  -5.700  -5.259  -6.363
   47   2HE   LYS   6          1HE       LYS   6  -6.026  -6.690  -5.363
   48   1HZ   LYS   6          1HZ       LYS   6  -7.773  -7.332  -6.896
   49   2HZ   LYS   6          2HZ       LYS   6  -6.297  -7.185  -7.726
   50   3HZ   LYS   6          3HZ       LYS   6  -7.468  -5.967  -7.859
   51    H    TYR   7           HN       TYR   7  -3.589  -4.325  -2.139
   52    HA   TYR   7           HA       TYR   7  -2.123  -4.361  -4.756
   53   1HB   TYR   7          2HB       TYR   7  -1.240  -3.796  -1.924
   54   2HB   TYR   7          1HB       TYR   7  -0.088  -4.229  -3.181
   55    HD1  TYR   7           1HD      TYR   7   0.741  -2.604  -4.591
   56    HD2  TYR   7           2HD      TYR   7  -2.923  -1.926  -2.484
   57    HE1  TYR   7           1HE      TYR   7   0.714  -0.277  -5.410
   58    HE2  TYR   7           2HE      TYR   7  -2.973   0.413  -3.282
   59    HH   TYR   7           HH       TYR   7  -2.006   1.683  -5.286
   60    H    LYS   8           HN       LYS   8  -2.760  -6.054  -1.703
   61    HA   LYS   8           HA       LYS   8  -2.269  -8.650  -3.028
   62   1HB   LYS   8          2HB       LYS   8  -0.070  -7.761  -2.162
   63   2HB   LYS   8          1HB       LYS   8  -0.762  -7.775  -0.541
   64   1HG   LYS   8          2HG       LYS   8   0.417  -9.837  -0.744
   65   2HG   LYS   8          1HG       LYS   8  -1.287 -10.248  -0.942
   66   1HD   LYS   8          2HD       LYS   8  -0.011 -11.380  -2.674
   67   2HD   LYS   8          1HD       LYS   8  -0.976 -10.110  -3.426
   68   1HE   LYS   8          2HE       LYS   8   0.893  -8.720  -3.776
   69   2HE   LYS   8          1HE       LYS   8   1.860  -9.557  -2.546
   70   1HZ   LYS   8          1HZ       LYS   8   0.853 -10.825  -5.038
   71   2HZ   LYS   8          2HZ       LYS   8   1.891 -11.525  -3.888
   72   3HZ   LYS   8          3HZ       LYS   8   2.429 -10.229  -4.846
   73    H    GLY   9           HN       GLY   9  -4.721  -7.909  -2.303
   74   1HA   GLY   9          2HA       GLY   9  -6.557  -8.657  -1.036
   75   2HA   GLY   9          1HA       GLY   9  -5.453  -9.738  -0.181
   76    H    ARG  10           HN       ARG  10  -4.896  -6.282  -0.410
   77    HA   ARG  10           HA       ARG  10  -5.852  -5.846   2.381
   78   1HB   ARG  10          2HB       ARG  10  -3.026  -5.325   1.372
   79   2HB   ARG  10          1HB       ARG  10  -3.623  -4.980   2.998
   80   1HG   ARG  10          2HG       ARG  10  -4.151  -7.431   3.253
   81   2HG   ARG  10          1HG       ARG  10  -3.338  -7.710   1.713
   82   1HD   ARG  10          2HD       ARG  10  -1.230  -6.930   2.587
   83   2HD   ARG  10          1HD       ARG  10  -2.004  -6.344   4.074
   84    HE   ARG  10           HE       ARG  10  -2.005  -9.244   3.320
   85   1HH1  ARG  10          1HH1      ARG  10  -3.523  -7.829   5.676
   86   2HH1  ARG  10          2HH1      ARG  10  -2.523  -8.327   7.000
   87   1HH2  ARG  10          1HH2      ARG  10   0.085  -9.389   4.975
   88   2HH2  ARG  10          2HH2      ARG  10  -0.481  -9.212   6.603
   89    H    THR  11           HN       THR  11  -7.322  -4.176   1.732
   90    HA   THR  11           HA       THR  11  -6.699  -2.229  -0.283
   91    HB   THR  11           HB       THR  11  -8.623  -2.059   2.060
   92    HG1  THR  11           1HG      THR  11 -10.094  -2.865   0.529
   93   1HG2  THR  11          1HG2      THR  11  -9.546  -0.207   1.067
   94   2HG2  THR  11          2HG2      THR  11  -9.113  -0.739  -0.557
   95   3HG2  THR  11          3HG2      THR  11  -7.894   0.003   0.481
   96    H    PHE  12           HN       PHE  12  -5.716  -0.177  -0.061
   97    HA   PHE  12           HA       PHE  12  -4.322   0.321   2.525
   98   1HB   PHE  12          2HB       PHE  12  -3.901   1.121  -0.371
   99   2HB   PHE  12          1HB       PHE  12  -3.015   1.910   0.952
  100    HD1  PHE  12           1HD      PHE  12  -1.190   0.797   2.030
  101    HD2  PHE  12           2HD      PHE  12  -3.833  -1.336  -0.577
  102    HE1  PHE  12           1HE      PHE  12   0.324  -1.174   2.128
  103    HE2  PHE  12           2HE      PHE  12  -2.358  -3.342  -0.439
  104    HZ   PHE  12           HZ       PHE  12  -0.269  -3.248   0.898
  105    H    ARG  13           HN       ARG  13  -5.520   1.597   3.844
  106    HA   ARG  13           HA       ARG  13  -7.157   3.803   2.682
  107   1HB   ARG  13          2HB       ARG  13  -8.221   3.765   4.926
  108   2HB   ARG  13          1HB       ARG  13  -8.243   2.174   4.169
  109   1HG   ARG  13          2HG       ARG  13  -6.838   1.273   5.719
  110   2HG   ARG  13          1HG       ARG  13  -5.843   2.725   5.806
  111   1HD   ARG  13          2HD       ARG  13  -7.545   3.831   7.208
  112   2HD   ARG  13          1HD       ARG  13  -8.569   2.385   7.108
  113    HE   ARG  13           HE       ARG  13  -5.799   2.265   8.236
  114   1HH1  ARG  13          1HH2      ARG  13  -7.288  -0.287   7.895
  115   2HH1  ARG  13          2HH2      ARG  13  -8.025  -0.501   9.448
  116   1HH2  ARG  13          1HH1      ARG  13  -7.561   2.795  10.417
  117   2HH2  ARG  13          2HH1      ARG  13  -8.180   1.244  10.876
  118    H    ASN  14           HN       ASN  14  -4.205   3.962   2.937
  119    HA   ASN  14           HA       ASN  14  -4.077   6.544   4.361
  120   1HB   ASN  14          2HB       ASN  14  -3.643   4.374   5.857
  121   2HB   ASN  14          1HB       ASN  14  -2.040   4.491   5.133
  122   1HD2  ASN  14          1HD2      ASN  14  -0.629   6.080   5.962
  123   2HD2  ASN  14          2HD2      ASN  14  -1.084   7.246   7.109
  124    H    GLU  15           HN       GLU  15  -2.386   7.827   3.541
  125    HA   GLU  15           HA       GLU  15  -1.219   7.002   0.999
  126   1HB   GLU  15          2HB       GLU  15  -1.963   9.348   2.187
  127   2HB   GLU  15          1HB       GLU  15  -0.213   9.408   2.408
  128   1HG   GLU  15          2HG       GLU  15   0.204   9.571   0.156
  129   2HG   GLU  15          1HG       GLU  15  -1.188   8.577  -0.278
  130    H    LYS  16           HN       LYS  16  -0.016   7.465   4.311
  131    HA   LYS  16           HA       LYS  16   2.757   7.202   3.788
  132   1HB   LYS  16          2HB       LYS  16   1.332   7.856   5.908
  133   2HB   LYS  16          1HB       LYS  16   1.481   6.136   6.275
  134   1HG   LYS  16          2HG       LYS  16   4.063   6.768   5.585
  135   2HG   LYS  16          1HG       LYS  16   3.530   8.261   6.356
  136   1HD   LYS  16          2HD       LYS  16   3.262   7.268   8.417
  137   2HD   LYS  16          1HD       LYS  16   2.843   5.702   7.723
  138   1HE   LYS  16          2HE       LYS  16   5.259   5.481   6.980
  139   2HE   LYS  16          1HE       LYS  16   5.611   6.926   7.949
  140   1HZ   LYS  16          1HZ       LYS  16   5.840   4.741   9.151
  141   2HZ   LYS  16          2HZ       LYS  16   4.152   4.582   9.033
  142   3HZ   LYS  16          3HZ       LYS  16   4.823   5.880   9.896
  143    H    GLU  17           HN       GLU  17   0.316   4.796   4.563
  144    HA   GLU  17           HA       GLU  17   1.981   2.486   4.738
  145   1HB   GLU  17          2HB       GLU  17  -0.884   3.129   4.235
  146   2HB   GLU  17          1HB       GLU  17  -0.357   1.505   3.793
  147   1HG   GLU  17          2HG       GLU  17   0.113   2.779   6.503
  148   2HG   GLU  17          1HG       GLU  17  -1.191   1.646   6.143
  149    H    LEU  18           HN       LEU  18  -0.009   3.555   1.963
  150    HA   LEU  18           HA       LEU  18   0.924   1.716   0.040
  151   1HB   LEU  18          2HB       LEU  18  -0.901   3.692   0.132
  152   2HB   LEU  18          1HB       LEU  18   0.361   4.548  -0.750
  153    HG   LEU  18           HG       LEU  18   0.405   2.772  -2.443
  154   1HD1  LEU  18          1HD1      LEU  18  -0.889   1.253  -0.431
  155   2HD1  LEU  18          2HD1      LEU  18  -0.452   0.703  -2.044
  156   3HD1  LEU  18          3HD1      LEU  18  -2.046   1.400  -1.739
  157   1HD2  LEU  18          1HD2      LEU  18  -2.230   4.060  -1.767
  158   2HD2  LEU  18          2HD2      LEU  18  -2.060   3.054  -3.206
  159   3HD2  LEU  18          3HD2      LEU  18  -1.074   4.506  -3.023
  160    H    ARG  19           HN       ARG  19   2.207   4.983   0.754
  161    HA   ARG  19           HA       ARG  19   4.320   4.983  -1.159
  162   1HB   ARG  19          2HB       ARG  19   3.920   6.261   1.552
  163   2HB   ARG  19          1HB       ARG  19   5.328   6.613   0.551
  164   1HG   ARG  19          2HG       ARG  19   3.833   7.313  -1.294
  165   2HG   ARG  19          1HG       ARG  19   2.433   6.994  -0.268
  166   1HD   ARG  19          2HD       ARG  19   3.300   8.667   1.378
  167   2HD   ARG  19          1HD       ARG  19   4.611   9.050   0.247
  168    HE   ARG  19           HE       ARG  19   1.883   9.159  -0.855
  169   1HH1  ARG  19          1HH1      ARG  19   2.808  11.205   1.384
  170   2HH1  ARG  19          2HH1      ARG  19   3.161  12.568   0.375
  171   1HH2  ARG  19          1HH2      ARG  19   3.110  10.737  -2.569
  172   2HH2  ARG  19          2HH2      ARG  19   3.332  12.303  -1.862
  173    H    ASP  20           HN       ASP  20   3.970   3.243   1.848
  174    HA   ASP  20           HA       ASP  20   6.870   2.597   1.963
  175   1HB   ASP  20          2HB       ASP  20   5.476   3.297   3.963
  176   2HB   ASP  20          1HB       ASP  20   4.599   1.776   3.794
  177    H    PHE  21           HN       PHE  21   3.688   1.020   1.539
  178    HA   PHE  21           HA       PHE  21   4.549  -1.693   1.476
  179   1HB   PHE  21          2HB       PHE  21   2.217  -0.937   1.572
  180   2HB   PHE  21          1HB       PHE  21   2.313  -0.335  -0.069
  181    HD1  PHE  21           1HD      PHE  21   2.242  -1.834  -1.968
  182    HD2  PHE  21           2HD      PHE  21   2.562  -3.331   2.037
  183    HE1  PHE  21           1HE      PHE  21   1.820  -4.137  -2.797
  184    HE2  PHE  21           2HE      PHE  21   2.116  -5.641   1.219
  185    HZ   PHE  21           HZ       PHE  21   1.750  -6.039  -1.204
  186    H    ILE  22           HN       ILE  22   3.550   0.033  -1.476
  187    HA   ILE  22           HA       ILE  22   4.747  -1.582  -3.397
  188    HB   ILE  22           HB       ILE  22   4.329   1.421  -3.328
  189   1HG1  ILE  22          2HG1      ILE  22   2.453   0.212  -4.973
  190   2HG1  ILE  22          1HG1      ILE  22   2.629  -0.953  -3.667
  191   1HG2  ILE  22          1HG2      ILE  22   4.390   1.311  -5.775
  192   2HG2  ILE  22          2HG2      ILE  22   4.694  -0.425  -5.705
  193   3HG2  ILE  22          3HG2      ILE  22   5.917   0.708  -5.125
  194   1HD1  ILE  22          1HD1      ILE  22   1.608   0.393  -2.172
  195   2HD1  ILE  22          2HD1      ILE  22   1.014   1.261  -3.587
  196   3HD1  ILE  22          3HD1      ILE  22   2.457   1.828  -2.751
  197    H    GLU  23           HN       GLU  23   6.218   0.925  -1.417
  198    HA   GLU  23           HA       GLU  23   8.773   0.986  -2.841
  199   1HB   GLU  23          2HB       GLU  23   7.803   2.862  -1.504
  200   2HB   GLU  23          1HB       GLU  23   7.990   1.887  -0.046
  201   1HG   GLU  23          2HG       GLU  23   9.981   3.047   0.044
  202   2HG   GLU  23          1HG       GLU  23  10.497   1.692  -0.960
  203    H    LYS  24           HN       LYS  24   7.417  -0.731  -0.068
  204    HA   LYS  24           HA       LYS  24   9.987  -1.938   0.700
  205   1HB   LYS  24          2HB       LYS  24   8.070  -1.297   2.241
  206   2HB   LYS  24          1HB       LYS  24   7.157  -2.637   1.546
  207   1HG   LYS  24          2HG       LYS  24   9.446  -3.933   2.145
  208   2HG   LYS  24          1HG       LYS  24   9.489  -2.686   3.393
  209   1HD   LYS  24          2HD       LYS  24   6.950  -4.222   2.907
  210   2HD   LYS  24          1HD       LYS  24   8.235  -4.938   3.880
  211   1HE   LYS  24          2HE       LYS  24   8.101  -2.407   4.948
  212   2HE   LYS  24          1HE       LYS  24   6.401  -2.726   4.550
  213   1HZ   LYS  24          1HZ       LYS  24   6.848  -3.664   6.689
  214   2HZ   LYS  24          2HZ       LYS  24   8.228  -4.472   6.113
  215   3HZ   LYS  24          3HZ       LYS  24   6.688  -4.946   5.585
  216    H    PHE  25           HN       PHE  25   6.900  -3.087  -0.713
  217    HA   PHE  25           HA       PHE  25   8.030  -5.707  -1.312
  218   1HB   PHE  25          2HB       PHE  25   5.698  -5.344  -0.547
  219   2HB   PHE  25          1HB       PHE  25   5.379  -4.418  -2.014
  220    HD1  PHE  25           1HD      PHE  25   4.112  -5.615  -3.536
  221    HD2  PHE  25           2HD      PHE  25   7.144  -7.654  -1.286
  222    HE1  PHE  25           1HE      PHE  25   3.612  -7.712  -4.767
  223    HE2  PHE  25           2HE      PHE  25   6.647  -9.753  -2.515
  224    HZ   PHE  25           HZ       PHE  25   4.881  -9.780  -4.256
  225    H    LYS  26           HN       LYS  26   9.634  -3.968  -2.648
  226    HA   LYS  26           HA       LYS  26   8.754  -3.199  -5.277
  227   1HB   LYS  26          2HB       LYS  26  11.365  -3.561  -3.843
  228   2HB   LYS  26          1HB       LYS  26  11.367  -3.221  -5.574
  229   1HG   LYS  26          2HG       LYS  26  10.172  -1.159  -5.252
  230   2HG   LYS  26          1HG       LYS  26   9.859  -1.539  -3.559
  231   1HD   LYS  26          2HD       LYS  26  11.682  -0.051  -3.451
  232   2HD   LYS  26          1HD       LYS  26  12.443  -1.638  -3.327
  233   1HE   LYS  26          2HE       LYS  26  13.759  -0.873  -5.043
  234   2HE   LYS  26          1HE       LYS  26  12.360  -1.275  -6.059
  235   1HZ   LYS  26          1HZ       LYS  26  13.108   1.070  -6.281
  236   2HZ   LYS  26          2HZ       LYS  26  12.705   1.318  -4.653
  237   3HZ   LYS  26          3HZ       LYS  26  11.493   0.917  -5.774
  238    H    GLY  27           HN       GLY  27   9.815  -6.215  -3.956
  239   1HA   GLY  27          2HA       GLY  27   9.219  -8.236  -5.313
  240   2HA   GLY  27          1HA       GLY  27   9.873  -7.380  -6.710
  241    H    ARG  28           HN       ARG  28  11.201  -7.688  -3.415
  242    HA   ARG  28           HA       ARG  28  13.742  -8.698  -4.625
  243   1HB   ARG  28          2HB       ARG  28  13.175  -6.644  -2.877
  244   2HB   ARG  28          1HB       ARG  28  13.642  -7.936  -1.772
  245   1HG   ARG  28          2HG       ARG  28  15.778  -7.333  -2.217
  246   2HG   ARG  28          1HG       ARG  28  15.551  -8.130  -3.773
  247   1HD   ARG  28          2HD       ARG  28  14.414  -5.681  -4.267
  248   2HD   ARG  28          1HD       ARG  28  15.730  -5.247  -3.159
  249    HE   ARG  28           HE       ARG  28  16.517  -7.156  -5.237
  250   1HH1  ARG  28          1HH1      ARG  28  17.815  -4.667  -3.696
  251   2HH1  ARG  28          2HH1      ARG  28  18.262  -3.720  -5.075
  252   1HH2  ARG  28          1HH2      ARG  28  16.373  -5.589  -7.302
  253   2HH2  ARG  28          2HH2      ARG  28  17.445  -4.241  -7.117
  Start of MODEL   24
    1   1H    GLU   1          1HT       GLU   1 -10.843   7.339   5.485
    2   2H    GLU   1          2HT       GLU   1 -11.682   5.974   4.922
    3   3H    GLU   1          3HT       GLU   1 -12.383   6.979   6.098
    4    HA   GLU   1           HA       GLU   1 -13.281   7.292   3.785
    5   1HB   GLU   1          2HB       GLU   1 -12.007   9.391   5.535
    6   2HB   GLU   1          1HB       GLU   1 -12.919   9.861   4.100
    7   1HG   GLU   1          2HG       GLU   1 -14.932   9.137   4.968
    8   2HG   GLU   1          1HG       GLU   1 -14.175   7.886   5.956
    9    H    GLN   2           HN       GLN   2 -10.596   6.222   3.264
   10    HA   GLN   2           HA       GLN   2  -9.596   8.233   1.270
   11   1HB   GLN   2          2HB       GLN   2  -8.331   6.882   3.429
   12   2HB   GLN   2          1HB       GLN   2  -7.698   6.152   1.955
   13   1HG   GLN   2          2HG       GLN   2  -6.283   8.027   2.475
   14   2HG   GLN   2          1HG       GLN   2  -7.275   8.498   1.094
   15   1HE2  GLN   2          1HE2      GLN   2  -6.423   9.341   4.329
   16   2HE2  GLN   2          2HE2      GLN   2  -7.571  10.573   4.545
   17    H    TYR   3           HN       TYR   3  -8.269   6.923  -0.511
   18    HA   TYR   3           HA       TYR   3 -10.007   5.473  -2.128
   19   1HB   TYR   3          2HB       TYR   3  -7.849   4.663  -3.214
   20   2HB   TYR   3          1HB       TYR   3  -8.029   6.403  -3.021
   21    HD1  TYR   3           1HD      TYR   3  -6.220   7.560  -2.239
   22    HD2  TYR   3           2HD      TYR   3  -6.747   3.488  -0.993
   23    HE1  TYR   3           1HE      TYR   3  -4.126   7.681  -0.938
   24    HE2  TYR   3           2HE      TYR   3  -4.662   3.612   0.298
   25    HH   TYR   3           HH       TYR   3  -2.364   5.413  -0.075
   26    H    THR   4           HN       THR   4  -9.821   3.146  -2.828
   27    HA   THR   4           HA       THR   4  -9.554   1.373  -0.427
   28    HB   THR   4           HB       THR   4 -11.071   0.858  -2.994
   29    HG1  THR   4           1HG      THR   4 -11.903   2.181  -0.631
   30   1HG2  THR   4          1HG2      THR   4 -10.959  -0.324  -0.244
   31   2HG2  THR   4          2HG2      THR   4 -11.022  -1.138  -1.808
   32   3HG2  THR   4          3HG2      THR   4 -12.477  -0.396  -1.140
   33    H    ALA   5           HN       ALA   5  -7.355   2.183  -2.305
   34    HA   ALA   5           HA       ALA   5  -6.594   0.356  -4.255
   35   1HB   ALA   5          1HB       ALA   5  -5.464   2.443  -2.948
   36   2HB   ALA   5          2HB       ALA   5  -4.546   1.358  -3.995
   37   3HB   ALA   5          3HB       ALA   5  -4.537   1.107  -2.244
   38    H    LYS   6           HN       LYS   6  -6.107  -1.826  -4.235
   39    HA   LYS   6           HA       LYS   6  -5.537  -3.086  -1.576
   40   1HB   LYS   6          2HB       LYS   6  -6.578  -5.120  -2.567
   41   2HB   LYS   6          1HB       LYS   6  -7.698  -3.763  -2.458
   42   1HG   LYS   6          2HG       LYS   6  -8.003  -3.744  -4.692
   43   2HG   LYS   6          1HG       LYS   6  -6.267  -3.683  -4.983
   44   1HD   LYS   6          2HD       LYS   6  -6.428  -6.254  -4.283
   45   2HD   LYS   6          1HD       LYS   6  -8.086  -6.051  -4.849
   46   1HE   LYS   6          2HE       LYS   6  -7.423  -5.593  -7.047
   47   2HE   LYS   6          1HE       LYS   6  -5.808  -5.052  -6.549
   48   1HZ   LYS   6          1HZ       LYS   6  -6.858  -7.828  -6.362
   49   2HZ   LYS   6          2HZ       LYS   6  -5.333  -7.319  -5.811
   50   3HZ   LYS   6          3HZ       LYS   6  -5.691  -7.279  -7.468
   51    H    TYR   7           HN       TYR   7  -3.742  -4.381  -1.445
   52    HA   TYR   7           HA       TYR   7  -2.196  -4.890  -3.964
   53   1HB   TYR   7          2HB       TYR   7  -1.236  -3.893  -1.273
   54   2HB   TYR   7          1HB       TYR   7  -0.165  -4.480  -2.527
   55    HD1  TYR   7           1HD      TYR   7   0.617  -3.055  -4.124
   56    HD2  TYR   7           2HD      TYR   7  -2.961  -2.093  -1.998
   57    HE1  TYR   7           1HE      TYR   7   0.584  -0.841  -5.212
   58    HE2  TYR   7           2HE      TYR   7  -3.031   0.132  -3.061
   59    HH   TYR   7           HH       TYR   7  -0.362   1.362  -4.897
   60    H    LYS   8           HN       LYS   8  -2.003  -7.071  -4.206
   61    HA   LYS   8           HA       LYS   8  -1.844  -9.373  -3.691
   62   1HB   LYS   8          2HB       LYS   8   0.224  -8.102  -2.632
   63   2HB   LYS   8          1HB       LYS   8  -0.540  -8.569  -1.112
   64   1HG   LYS   8          2HG       LYS   8   0.948 -10.353  -1.636
   65   2HG   LYS   8          1HG       LYS   8  -0.657 -10.942  -2.076
   66   1HD   LYS   8          2HD       LYS   8  -0.245 -10.788  -4.350
   67   2HD   LYS   8          1HD       LYS   8   0.945  -9.500  -4.153
   68   1HE   LYS   8          2HE       LYS   8   2.190 -11.523  -2.809
   69   2HE   LYS   8          1HE       LYS   8   1.328 -12.435  -4.063
   70   1HZ   LYS   8          1HZ       LYS   8   2.177 -10.893  -5.721
   71   2HZ   LYS   8          2HZ       LYS   8   3.459 -11.634  -4.894
   72   3HZ   LYS   8          3HZ       LYS   8   3.022 -10.035  -4.523
   73    H    GLY   9           HN       GLY   9  -4.147  -7.691  -2.449
   74   1HA   GLY   9          2HA       GLY   9  -6.094  -8.674  -1.398
   75   2HA   GLY   9          1HA       GLY   9  -5.039  -9.835  -0.594
   76    H    ARG  10           HN       ARG  10  -4.499  -6.334  -0.692
   77    HA   ARG  10           HA       ARG  10  -5.337  -6.091   2.160
   78   1HB   ARG  10          2HB       ARG  10  -2.589  -5.445   1.038
   79   2HB   ARG  10          1HB       ARG  10  -3.111  -5.120   2.692
   80   1HG   ARG  10          2HG       ARG  10  -3.593  -7.588   2.933
   81   2HG   ARG  10          1HG       ARG  10  -2.824  -7.827   1.363
   82   1HD   ARG  10          2HD       ARG  10  -0.729  -6.851   2.217
   83   2HD   ARG  10          1HD       ARG  10  -1.495  -6.579   3.795
   84    HE   ARG  10           HE       ARG  10  -1.546  -8.960   4.150
   85   1HH1  ARG  10          1HH1      ARG  10   0.975  -8.181   2.263
   86   2HH1  ARG  10          2HH1      ARG  10   1.060  -9.661   1.367
   87   1HH2  ARG  10          1HH2      ARG  10  -2.014 -10.819   2.479
   88   2HH2  ARG  10          2HH2      ARG  10  -0.632 -11.154   1.489
   89    H    THR  11           HN       THR  11  -6.778  -4.388   1.978
   90    HA   THR  11           HA       THR  11  -6.648  -2.379  -0.080
   91    HB   THR  11           HB       THR  11  -8.096  -2.358   2.581
   92    HG1  THR  11           1HG      THR  11  -9.682  -3.456   1.518
   93   1HG2  THR  11          1HG2      THR  11  -9.726  -0.960   1.272
   94   2HG2  THR  11          2HG2      THR  11  -8.555  -0.918  -0.046
   95   3HG2  THR  11          3HG2      THR  11  -8.158  -0.186   1.507
   96    H    PHE  12           HN       PHE  12  -6.453   0.018   0.413
   97    HA   PHE  12           HA       PHE  12  -4.592   0.603   2.682
   98   1HB   PHE  12          2HB       PHE  12  -4.266   1.129  -0.286
   99   2HB   PHE  12          1HB       PHE  12  -3.446   2.149   0.914
  100    HD1  PHE  12           1HD      PHE  12  -1.590   1.279   2.232
  101    HD2  PHE  12           2HD      PHE  12  -3.888  -1.247  -0.362
  102    HE1  PHE  12           1HE      PHE  12   0.104  -0.526   2.497
  103    HE2  PHE  12           2HE      PHE  12  -2.236  -3.063  -0.049
  104    HZ   PHE  12           HZ       PHE  12  -0.231  -2.706   1.364
  105    H    ARG  13           HN       ARG  13  -5.230   2.371   3.820
  106    HA   ARG  13           HA       ARG  13  -7.087   4.333   2.513
  107   1HB   ARG  13          2HB       ARG  13  -7.132   3.156   5.314
  108   2HB   ARG  13          1HB       ARG  13  -8.231   4.406   4.731
  109   1HG   ARG  13          2HG       ARG  13  -8.761   2.722   2.815
  110   2HG   ARG  13          1HG       ARG  13  -8.048   1.519   3.893
  111   1HD   ARG  13          2HD       ARG  13 -10.194   1.389   4.714
  112   2HD   ARG  13          1HD       ARG  13  -9.716   2.836   5.624
  113    HE   ARG  13           HE       ARG  13 -10.764   4.210   3.886
  114   1HH1  ARG  13          1HH1      ARG  13 -12.278   1.375   4.587
  115   2HH1  ARG  13          2HH1      ARG  13 -13.145   1.227   3.095
  116   1HH2  ARG  13          1HH2      ARG  13 -11.407   3.783   1.524
  117   2HH2  ARG  13          2HH2      ARG  13 -12.652   2.589   1.361
  118    H    ASN  14           HN       ASN  14  -4.216   4.574   2.735
  119    HA   ASN  14           HA       ASN  14  -4.016   7.166   4.046
  120   1HB   ASN  14          2HB       ASN  14  -3.957   5.239   5.840
  121   2HB   ASN  14          1HB       ASN  14  -2.304   5.013   5.267
  122   1HD2  ASN  14          1HD2      ASN  14  -0.744   6.698   5.717
  123   2HD2  ASN  14          2HD2      ASN  14  -1.087   7.986   6.769
  124    H    GLU  15           HN       GLU  15  -2.376   8.276   3.032
  125    HA   GLU  15           HA       GLU  15  -0.905   7.151   0.852
  126   1HB   GLU  15          2HB       GLU  15  -1.562   9.612   1.611
  127   2HB   GLU  15          1HB       GLU  15   0.042   9.573   2.344
  128   1HG   GLU  15          2HG       GLU  15   1.019   8.937   0.164
  129   2HG   GLU  15          1HG       GLU  15  -0.585   9.005  -0.568
  130    H    LYS  16           HN       LYS  16   0.028   7.804   4.228
  131    HA   LYS  16           HA       LYS  16   2.784   7.280   4.071
  132   1HB   LYS  16          2HB       LYS  16   1.045   8.001   5.986
  133   2HB   LYS  16          1HB       LYS  16   1.265   6.307   6.428
  134   1HG   LYS  16          2HG       LYS  16   3.436   6.616   7.072
  135   2HG   LYS  16          1HG       LYS  16   3.754   7.789   5.794
  136   1HD   LYS  16          2HD       LYS  16   1.862   8.611   7.946
  137   2HD   LYS  16          1HD       LYS  16   3.571   8.513   8.373
  138   1HE   LYS  16          2HE       LYS  16   4.116  10.331   7.094
  139   2HE   LYS  16          1HE       LYS  16   3.003   9.863   5.792
  140   1HZ   LYS  16          1HZ       LYS  16   2.102  10.852   8.442
  141   2HZ   LYS  16          2HZ       LYS  16   1.151  10.597   7.057
  142   3HZ   LYS  16          3HZ       LYS  16   2.288  11.859   7.090
  143    H    GLU  17           HN       GLU  17   0.127   5.046   4.607
  144    HA   GLU  17           HA       GLU  17   1.680   2.660   4.978
  145   1HB   GLU  17          2HB       GLU  17  -1.141   3.333   4.159
  146   2HB   GLU  17          1HB       GLU  17  -0.600   1.653   4.161
  147   1HG   GLU  17          2HG       GLU  17  -0.392   3.526   6.536
  148   2HG   GLU  17          1HG       GLU  17  -1.665   2.325   6.315
  149    H    LEU  18           HN       LEU  18  -0.245   3.585   2.106
  150    HA   LEU  18           HA       LEU  18   0.738   1.658   0.309
  151   1HB   LEU  18          2HB       LEU  18  -1.131   3.531   0.218
  152   2HB   LEU  18          1HB       LEU  18   0.135   4.472  -0.566
  153    HG   LEU  18           HG       LEU  18   0.417   2.683  -2.244
  154   1HD1  LEU  18          1HD1      LEU  18  -0.924   1.095  -0.373
  155   2HD1  LEU  18          2HD1      LEU  18  -0.497   0.609  -1.995
  156   3HD1  LEU  18          3HD1      LEU  18  -2.087   1.288  -1.665
  157   1HD2  LEU  18          1HD2      LEU  18  -2.499   3.451  -2.012
  158   2HD2  LEU  18          2HD2      LEU  18  -1.579   3.159  -3.488
  159   3HD2  LEU  18          3HD2      LEU  18  -1.241   4.586  -2.506
  160    H    ARG  19           HN       ARG  19   2.017   4.958   0.860
  161    HA   ARG  19           HA       ARG  19   4.130   4.869  -1.046
  162   1HB   ARG  19          2HB       ARG  19   3.633   6.292   1.560
  163   2HB   ARG  19          1HB       ARG  19   5.136   6.543   0.672
  164   1HG   ARG  19          2HG       ARG  19   2.541   6.726  -0.810
  165   2HG   ARG  19          1HG       ARG  19   3.041   8.085   0.199
  166   1HD   ARG  19          2HD       ARG  19   5.377   7.562  -1.117
  167   2HD   ARG  19          1HD       ARG  19   4.186   7.131  -2.360
  168    HE   ARG  19           HE       ARG  19   3.988   9.728  -0.894
  169   1HH1  ARG  19          1HH2      ARG  19   5.680   9.043  -3.515
  170   2HH1  ARG  19          2HH2      ARG  19   4.669   9.824  -4.685
  171   1HH2  ARG  19          1HH1      ARG  19   2.002  10.222  -2.505
  172   2HH2  ARG  19          2HH1      ARG  19   2.587  10.492  -4.113
  173    H    ASP  20           HN       ASP  20   3.787   3.256   2.026
  174    HA   ASP  20           HA       ASP  20   6.698   2.644   2.165
  175   1HB   ASP  20          2HB       ASP  20   4.316   2.455   4.004
  176   2HB   ASP  20          1HB       ASP  20   5.808   1.594   4.382
  177    H    PHE  21           HN       PHE  21   3.556   1.129   1.569
  178    HA   PHE  21           HA       PHE  21   4.400  -1.619   1.824
  179   1HB   PHE  21          2HB       PHE  21   2.068  -0.859   1.864
  180   2HB   PHE  21          1HB       PHE  21   2.163  -0.380   0.182
  181    HD1  PHE  21           1HD      PHE  21   2.166  -2.038  -1.609
  182    HD2  PHE  21           2HD      PHE  21   2.377  -3.196   2.516
  183    HE1  PHE  21           1HE      PHE  21   1.779  -4.406  -2.252
  184    HE2  PHE  21           2HE      PHE  21   1.964  -5.566   1.882
  185    HZ   PHE  21           HZ       PHE  21   1.673  -6.168  -0.508
  186    H    ILE  22           HN       ILE  22   3.414  -0.092  -1.239
  187    HA   ILE  22           HA       ILE  22   4.581  -1.850  -3.047
  188    HB   ILE  22           HB       ILE  22   4.238   1.162  -3.206
  189   1HG1  ILE  22          2HG1      ILE  22   2.294  -0.092  -4.724
  190   2HG1  ILE  22          1HG1      ILE  22   2.462  -1.183  -3.352
  191   1HG2  ILE  22          1HG2      ILE  22   4.214   0.803  -5.656
  192   2HG2  ILE  22          2HG2      ILE  22   4.584  -0.903  -5.402
  193   3HG2  ILE  22          3HG2      ILE  22   5.767   0.330  -4.966
  194   1HD1  ILE  22          1HD1      ILE  22   1.461   0.261  -1.954
  195   2HD1  ILE  22          2HD1      ILE  22   0.950   1.131  -3.401
  196   3HD1  ILE  22          3HD1      ILE  22   2.413   1.624  -2.548
  197    H    GLU  23           HN       GLU  23   6.101   0.775  -1.263
  198    HA   GLU  23           HA       GLU  23   8.621   0.822  -2.675
  199   1HB   GLU  23          2HB       GLU  23   7.536   2.464  -0.955
  200   2HB   GLU  23          1HB       GLU  23   8.243   1.405   0.266
  201   1HG   GLU  23          2HG       GLU  23   9.933   2.999  -0.057
  202   2HG   GLU  23          1HG       GLU  23  10.440   1.682  -1.116
  203    H    LYS  24           HN       LYS  24   7.399  -0.974   0.132
  204    HA   LYS  24           HA       LYS  24   9.909  -2.398   0.614
  205   1HB   LYS  24          2HB       LYS  24   7.047  -2.533   1.570
  206   2HB   LYS  24          1HB       LYS  24   8.200  -3.784   2.035
  207   1HG   LYS  24          2HG       LYS  24   9.197  -1.017   2.353
  208   2HG   LYS  24          1HG       LYS  24   7.843  -1.437   3.403
  209   1HD   LYS  24          2HD       LYS  24   9.028  -3.127   4.487
  210   2HD   LYS  24          1HD       LYS  24  10.138  -3.353   3.135
  211   1HE   LYS  24          2HE       LYS  24  11.476  -2.206   4.709
  212   2HE   LYS  24          1HE       LYS  24  10.877  -0.882   3.690
  213   1HZ   LYS  24          1HZ       LYS  24   9.126  -0.447   5.201
  214   2HZ   LYS  24          2HZ       LYS  24  10.537  -0.562   6.141
  215   3HZ   LYS  24          3HZ       LYS  24   9.442  -1.856   6.097
  216    H    PHE  25           HN       PHE  25   6.795  -3.078  -0.976
  217    HA   PHE  25           HA       PHE  25   7.169  -5.799  -1.610
  218   1HB   PHE  25          2HB       PHE  25   5.030  -4.807  -1.878
  219   2HB   PHE  25          1HB       PHE  25   5.675  -3.490  -2.847
  220    HD1  PHE  25           1HD      PHE  25   4.951  -3.551  -5.029
  221    HD2  PHE  25           2HD      PHE  25   5.845  -7.250  -3.042
  222    HE1  PHE  25           1HE      PHE  25   4.452  -4.777  -7.118
  223    HE2  PHE  25           2HE      PHE  25   5.337  -8.492  -5.134
  224    HZ   PHE  25           HZ       PHE  25   4.639  -7.257  -7.171
  225    H    LYS  26           HN       LYS  26   7.185  -3.705  -4.403
  226    HA   LYS  26           HA       LYS  26   9.958  -4.401  -5.132
  227   1HB   LYS  26          2HB       LYS  26   7.402  -5.090  -6.584
  228   2HB   LYS  26          1HB       LYS  26   8.989  -5.198  -7.346
  229   1HG   LYS  26          2HG       LYS  26   8.189  -6.676  -4.827
  230   2HG   LYS  26          1HG       LYS  26   8.156  -7.380  -6.436
  231   1HD   LYS  26          2HD       LYS  26  10.718  -6.080  -5.809
  232   2HD   LYS  26          1HD       LYS  26  10.336  -7.418  -4.727
  233   1HE   LYS  26          2HE       LYS  26  10.840  -8.921  -6.345
  234   2HE   LYS  26          1HE       LYS  26   9.706  -8.148  -7.470
  235   1HZ   LYS  26          1HZ       LYS  26  11.871  -7.883  -8.379
  236   2HZ   LYS  26          2HZ       LYS  26  12.509  -7.350  -6.898
  237   3HZ   LYS  26          3HZ       LYS  26  11.419  -6.371  -7.758
  238    H    GLY  27           HN       GLY  27   7.020  -3.158  -6.618
  239   1HA   GLY  27          2HA       GLY  27   6.532  -1.185  -7.758
  240   2HA   GLY  27          1HA       GLY  27   7.724  -0.409  -6.710
  241    H    ARG  28           HN       ARG  28   7.932  -2.873  -9.301
  242    HA   ARG  28           HA       ARG  28  10.211  -1.323 -10.471
  243   1HB   ARG  28          2HB       ARG  28  10.563  -3.667  -9.677
  244   2HB   ARG  28          1HB       ARG  28   9.346  -4.211 -10.831
  245   1HG   ARG  28          2HG       ARG  28  11.359  -4.541 -11.999
  246   2HG   ARG  28          1HG       ARG  28  10.804  -2.979 -12.601
  247   1HD   ARG  28          2HD       ARG  28  12.222  -1.946 -10.696
  248   2HD   ARG  28          1HD       ARG  28  12.997  -3.540 -10.598
  249    HE   ARG  28           HE       ARG  28  13.179  -3.160 -13.233
  250   1HH1  ARG  28          1HH1      ARG  28  15.573  -2.410 -11.675
  251   2HH1  ARG  28          2HH1      ARG  28  15.803  -0.746 -12.096
  252   1HH2  ARG  28          1HH2      ARG  28  12.597  -0.347 -13.357
  253   2HH2  ARG  28          2HH2      ARG  28  14.118   0.422 -13.048
  Start of MODEL   25
    1   1H    GLU   1          1HT       GLU   1 -16.520   8.269   2.025
    2   2H    GLU   1          2HT       GLU   1 -17.863   7.961   1.031
    3   3H    GLU   1          3HT       GLU   1 -16.740   9.159   0.599
    4    HA   GLU   1           HA       GLU   1 -16.061   6.272   0.814
    5   1HB   GLU   1          2HB       GLU   1 -17.784   7.481  -0.975
    6   2HB   GLU   1          1HB       GLU   1 -16.242   7.581  -1.823
    7   1HG   GLU   1          2HG       GLU   1 -16.980   5.476  -2.490
    8   2HG   GLU   1          1HG       GLU   1 -16.011   5.060  -1.076
    9    H    GLN   2           HN       GLN   2 -13.905   5.866   0.141
   10    HA   GLN   2           HA       GLN   2 -12.200   7.995  -0.923
   11   1HB   GLN   2          2HB       GLN   2 -12.669   8.131   1.737
   12   2HB   GLN   2          1HB       GLN   2 -11.304   7.014   1.741
   13   1HG   GLN   2          2HG       GLN   2  -9.814   8.625   1.081
   14   2HG   GLN   2          1HG       GLN   2 -10.967   9.348  -0.046
   15   1HE2  GLN   2          1HE2      GLN   2  -9.244  10.238   2.548
   16   2HE2  GLN   2          2HE2      GLN   2 -10.335  11.288   3.317
   17    H    TYR   3           HN       TYR   3  -9.794   6.918   0.082
   18    HA   TYR   3           HA       TYR   3  -8.639   5.302  -1.618
   19   1HB   TYR   3          2HB       TYR   3  -8.564   5.560   1.303
   20   2HB   TYR   3          1HB       TYR   3  -7.840   4.062   0.711
   21    HD1  TYR   3           1HD      TYR   3  -7.633   7.699   0.764
   22    HD2  TYR   3           2HD      TYR   3  -5.975   4.090  -0.861
   23    HE1  TYR   3           1HE      TYR   3  -5.668   8.970   0.002
   24    HE2  TYR   3           2HE      TYR   3  -3.985   5.355  -1.636
   25    HH   TYR   3           HH       TYR   3  -3.666   8.090  -2.246
   26    H    THR   4           HN       THR   4  -8.520   3.301  -2.370
   27    HA   THR   4           HA       THR   4  -9.797   1.022  -1.050
   28    HB   THR   4           HB       THR   4 -10.649   1.625  -3.872
   29    HG1  THR   4           1HG      THR   4 -11.436   3.400  -2.960
   30   1HG2  THR   4          1HG2      THR   4 -11.354  -0.225  -1.674
   31   2HG2  THR   4          2HG2      THR   4 -11.491  -0.440  -3.421
   32   3HG2  THR   4          3HG2      THR   4 -12.731   0.458  -2.544
   33    H    ALA   5           HN       ALA   5  -7.086   2.026  -2.102
   34    HA   ALA   5           HA       ALA   5  -6.370   0.495  -4.412
   35   1HB   ALA   5          1HB       ALA   5  -5.254   2.508  -3.054
   36   2HB   ALA   5          2HB       ALA   5  -4.296   1.413  -4.053
   37   3HB   ALA   5          3HB       ALA   5  -4.374   1.166  -2.306
   38    H    LYS   6           HN       LYS   6  -6.292  -1.678  -4.456
   39    HA   LYS   6           HA       LYS   6  -5.477  -3.148  -1.974
   40   1HB   LYS   6          2HB       LYS   6  -6.713  -5.057  -3.058
   41   2HB   LYS   6          1HB       LYS   6  -7.737  -3.672  -2.686
   42   1HG   LYS   6          2HG       LYS   6  -8.086  -3.166  -4.888
   43   2HG   LYS   6          1HG       LYS   6  -6.463  -3.658  -5.367
   44   1HD   LYS   6          2HD       LYS   6  -8.217  -5.847  -4.408
   45   2HD   LYS   6          1HD       LYS   6  -8.703  -5.104  -5.932
   46   1HE   LYS   6          2HE       LYS   6  -5.802  -5.679  -5.699
   47   2HE   LYS   6          1HE       LYS   6  -6.860  -7.103  -5.783
   48   1HZ   LYS   6          1HZ       LYS   6  -7.889  -6.286  -7.733
   49   2HZ   LYS   6          2HZ       LYS   6  -6.217  -6.137  -7.992
   50   3HZ   LYS   6          3HZ       LYS   6  -7.136  -4.769  -7.593
   51    H    TYR   7           HN       TYR   7  -3.822  -4.667  -2.157
   52    HA   TYR   7           HA       TYR   7  -2.404  -4.786  -4.799
   53   1HB   TYR   7          2HB       TYR   7  -1.422  -4.389  -1.967
   54   2HB   TYR   7          1HB       TYR   7  -0.336  -4.818  -3.294
   55    HD1  TYR   7           1HD      TYR   7   0.431  -3.193  -4.792
   56    HD2  TYR   7           2HD      TYR   7  -2.914  -2.327  -2.256
   57    HE1  TYR   7           1HE      TYR   7   0.494  -0.834  -5.529
   58    HE2  TYR   7           2HE      TYR   7  -2.877   0.042  -2.993
   59    HH   TYR   7           HH       TYR   7  -2.014   1.270  -5.154
   60    H    LYS   8           HN       LYS   8  -2.335  -6.367  -1.584
   61    HA   LYS   8           HA       LYS   8  -2.478  -9.028  -2.957
   62   1HB   LYS   8          2HB       LYS   8  -0.489  -7.861  -1.053
   63   2HB   LYS   8          1HB       LYS   8  -0.882  -9.571  -0.866
   64   1HG   LYS   8          2HG       LYS   8  -0.094  -8.336  -3.517
   65   2HG   LYS   8          1HG       LYS   8   1.067  -9.085  -2.421
   66   1HD   LYS   8          2HD       LYS   8   0.324 -11.203  -2.862
   67   2HD   LYS   8          1HD       LYS   8  -1.356 -10.690  -3.029
   68   1HE   LYS   8          2HE       LYS   8  -0.674  -9.597  -5.239
   69   2HE   LYS   8          1HE       LYS   8   0.855 -10.487  -5.091
   70   1HZ   LYS   8          1HZ       LYS   8  -1.863 -11.689  -4.976
   71   2HZ   LYS   8          2HZ       LYS   8  -0.397 -12.536  -4.824
   72   3HZ   LYS   8          3HZ       LYS   8  -0.797 -11.792  -6.296
   73    H    GLY   9           HN       GLY   9  -4.765  -7.908  -1.998
   74   1HA   GLY   9          2HA       GLY   9  -6.579  -8.594  -0.637
   75   2HA   GLY   9          1HA       GLY   9  -5.480  -9.672   0.227
   76    H    ARG  10           HN       ARG  10  -4.763  -6.275  -0.273
   77    HA   ARG  10           HA       ARG  10  -5.492  -5.631   2.551
   78   1HB   ARG  10          2HB       ARG  10  -2.761  -5.228   1.266
   79   2HB   ARG  10          1HB       ARG  10  -3.208  -4.774   2.912
   80   1HG   ARG  10          2HG       ARG  10  -3.757  -7.197   3.356
   81   2HG   ARG  10          1HG       ARG  10  -3.069  -7.580   1.778
   82   1HD   ARG  10          2HD       ARG  10  -0.931  -6.431   2.535
   83   2HD   ARG  10          1HD       ARG  10  -1.635  -6.372   4.162
   84    HE   ARG  10           HE       ARG  10  -2.004  -8.956   3.661
   85   1HH1  ARG  10          1HH1      ARG  10   0.067  -8.223   1.367
   86   2HH1  ARG  10          2HH1      ARG  10   1.489  -8.933   2.053
   87   1HH2  ARG  10          1HH2      ARG  10   0.092  -9.328   5.203
   88   2HH2  ARG  10          2HH2      ARG  10   1.504  -9.559   4.227
   89    H    THR  11           HN       THR  11  -7.079  -4.103   1.685
   90    HA   THR  11           HA       THR  11  -6.418  -2.185  -0.350
   91    HB   THR  11           HB       THR  11  -8.469  -2.027   1.881
   92    HG1  THR  11           1HG      THR  11  -9.643  -3.295   0.679
   93   1HG2  THR  11          1HG2      THR  11  -9.291  -0.154   0.889
   94   2HG2  THR  11          2HG2      THR  11  -8.983  -0.769  -0.733
   95   3HG2  THR  11          3HG2      THR  11  -7.678  -0.010   0.184
   96    H    PHE  12           HN       PHE  12  -5.595  -0.042  -0.103
   97    HA   PHE  12           HA       PHE  12  -4.323   0.499   2.544
   98   1HB   PHE  12          2HB       PHE  12  -3.781   1.266  -0.330
   99   2HB   PHE  12          1HB       PHE  12  -3.008   2.131   1.012
  100    HD1  PHE  12           1HD      PHE  12  -1.263   1.092   2.331
  101    HD2  PHE  12           2HD      PHE  12  -3.487  -1.156  -0.580
  102    HE1  PHE  12           1HE      PHE  12   0.337  -0.797   2.565
  103    HE2  PHE  12           2HE      PHE  12  -1.909  -3.071  -0.314
  104    HZ   PHE  12           HZ       PHE  12   0.008  -2.875   1.249
  105    H    ARG  13           HN       ARG  13  -5.375   1.927   3.815
  106    HA   ARG  13           HA       ARG  13  -7.101   4.026   2.555
  107   1HB   ARG  13          2HB       ARG  13  -7.637   2.134   4.452
  108   2HB   ARG  13          1HB       ARG  13  -7.181   3.498   5.471
  109   1HG   ARG  13          2HG       ARG  13  -9.149   3.814   3.205
  110   2HG   ARG  13          1HG       ARG  13  -9.668   3.306   4.812
  111   1HD   ARG  13          2HD       ARG  13  -8.639   5.354   5.780
  112   2HD   ARG  13          1HD       ARG  13  -8.188   5.878   4.145
  113    HE   ARG  13           HE       ARG  13 -10.471   6.353   3.713
  114   1HH1  ARG  13          1HH2      ARG  13 -10.577   6.798   6.743
  115   2HH1  ARG  13          2HH2      ARG  13 -11.997   5.895   7.155
  116   1HH2  ARG  13          1HH1      ARG  13 -12.088   4.164   4.150
  117   2HH2  ARG  13          2HH1      ARG  13 -12.852   4.401   5.686
  118    H    ASN  14           HN       ASN  14  -4.136   4.179   2.852
  119    HA   ASN  14           HA       ASN  14  -4.001   6.824   4.121
  120   1HB   ASN  14          2HB       ASN  14  -3.620   4.560   5.692
  121   2HB   ASN  14          1HB       ASN  14  -1.975   5.025   5.265
  122   1HD2  ASN  14          1HD2      ASN  14  -1.138   7.009   6.128
  123   2HD2  ASN  14          2HD2      ASN  14  -1.983   7.933   7.272
  124    H    GLU  15           HN       GLU  15  -2.565   7.997   2.925
  125    HA   GLU  15           HA       GLU  15  -1.114   6.942   0.709
  126   1HB   GLU  15          2HB       GLU  15  -1.850   9.394   1.664
  127   2HB   GLU  15          1HB       GLU  15  -0.118   9.418   1.999
  128   1HG   GLU  15          2HG       GLU  15   0.456   9.375  -0.227
  129   2HG   GLU  15          1HG       GLU  15  -0.961   8.426  -0.681
  130    H    LYS  16           HN       LYS  16  -0.053   7.745   4.013
  131    HA   LYS  16           HA       LYS  16   2.721   7.279   3.662
  132   1HB   LYS  16          2HB       LYS  16   1.430   8.393   5.572
  133   2HB   LYS  16          1HB       LYS  16   1.126   6.761   6.166
  134   1HG   LYS  16          2HG       LYS  16   3.556   6.339   6.262
  135   2HG   LYS  16          1HG       LYS  16   3.862   7.972   5.670
  136   1HD   LYS  16          2HD       LYS  16   4.071   8.199   8.006
  137   2HD   LYS  16          1HD       LYS  16   2.421   8.739   7.692
  138   1HE   LYS  16          2HE       LYS  16   2.049   7.237   9.443
  139   2HE   LYS  16          1HE       LYS  16   1.886   6.143   8.055
  140   1HZ   LYS  16          1HZ       LYS  16   4.458   6.703   9.429
  141   2HZ   LYS  16          2HZ       LYS  16   4.175   5.544   8.225
  142   3HZ   LYS  16          3HZ       LYS  16   3.485   5.351   9.766
  143    H    GLU  17           HN       GLU  17   0.116   5.135   4.623
  144    HA   GLU  17           HA       GLU  17   1.615   2.810   5.286
  145   1HB   GLU  17          2HB       GLU  17  -1.149   3.475   4.382
  146   2HB   GLU  17          1HB       GLU  17  -0.672   1.783   4.291
  147   1HG   GLU  17          2HG       GLU  17  -0.507   3.517   6.770
  148   2HG   GLU  17          1HG       GLU  17  -1.743   2.302   6.441
  149    H    LEU  18           HN       LEU  18  -0.288   3.134   2.303
  150    HA   LEU  18           HA       LEU  18   0.887   1.038   0.890
  151   1HB   LEU  18          2HB       LEU  18  -1.185   2.211   0.289
  152   2HB   LEU  18          1HB       LEU  18  -0.262   3.651  -0.131
  153    HG   LEU  18           HG       LEU  18   0.917   2.366  -1.888
  154   1HD1  LEU  18          1HD1      LEU  18   0.581   0.126  -0.705
  155   2HD1  LEU  18          2HD1      LEU  18   0.306   0.115  -2.438
  156   3HD1  LEU  18          3HD1      LEU  18  -1.063   0.143  -1.328
  157   1HD2  LEU  18          1HD2      LEU  18  -1.609   3.414  -1.983
  158   2HD2  LEU  18          2HD2      LEU  18  -1.903   1.769  -2.548
  159   3HD2  LEU  18          3HD2      LEU  18  -0.742   2.797  -3.389
  160    H    ARG  19           HN       ARG  19   1.902   4.494   0.811
  161    HA   ARG  19           HA       ARG  19   3.920   4.268  -1.161
  162   1HB   ARG  19          2HB       ARG  19   3.547   5.950   1.320
  163   2HB   ARG  19          1HB       ARG  19   4.979   6.151   0.312
  164   1HG   ARG  19          2HG       ARG  19   3.441   6.444  -1.669
  165   2HG   ARG  19          1HG       ARG  19   2.090   6.474  -0.534
  166   1HD   ARG  19          2HD       ARG  19   2.517   8.746  -0.608
  167   2HD   ARG  19          1HD       ARG  19   3.701   8.314   0.642
  168    HE   ARG  19           HE       ARG  19   4.508   8.224  -2.224
  169   1HH1  ARG  19          1HH1      ARG  19   6.569   7.766  -0.167
  170   2HH1  ARG  19          2HH1      ARG  19   7.268   9.337   0.040
  171   1HH2  ARG  19          1HH2      ARG  19   4.631  11.003  -1.473
  172   2HH2  ARG  19          2HH2      ARG  19   6.171  11.170  -0.697
  173    H    ASP  20           HN       ASP  20   3.948   3.340   2.248
  174    HA   ASP  20           HA       ASP  20   6.804   2.709   2.352
  175   1HB   ASP  20          2HB       ASP  20   4.374   2.546   4.061
  176   2HB   ASP  20          1HB       ASP  20   5.608   1.329   4.393
  177    H    PHE  21           HN       PHE  21   3.753   0.987   1.885
  178    HA   PHE  21           HA       PHE  21   4.713  -1.719   1.689
  179   1HB   PHE  21          2HB       PHE  21   2.364  -1.155   1.909
  180   2HB   PHE  21          1HB       PHE  21   2.390  -0.199   0.444
  181    HD1  PHE  21           1HD      PHE  21   2.097  -1.198  -1.707
  182    HD2  PHE  21           2HD      PHE  21   2.857  -3.597   1.773
  183    HE1  PHE  21           1HE      PHE  21   1.611  -3.260  -3.015
  184    HE2  PHE  21           2HE      PHE  21   2.355  -5.663   0.471
  185    HZ   PHE  21           HZ       PHE  21   1.736  -5.488  -1.927
  186    H    ILE  22           HN       ILE  22   3.698   0.473  -0.869
  187    HA   ILE  22           HA       ILE  22   4.526  -0.807  -3.192
  188    HB   ILE  22           HB       ILE  22   4.613   2.137  -2.435
  189   1HG1  ILE  22          2HG1      ILE  22   2.411   0.970  -2.117
  190   2HG1  ILE  22          1HG1      ILE  22   2.351   2.203  -3.370
  191   1HG2  ILE  22          1HG2      ILE  22   4.439   2.600  -4.826
  192   2HG2  ILE  22          2HG2      ILE  22   4.425   0.872  -5.179
  193   3HG2  ILE  22          3HG2      ILE  22   5.879   1.626  -4.525
  194   1HD1  ILE  22          1HD1      ILE  22   1.802  -0.608  -3.564
  195   2HD1  ILE  22          2HD1      ILE  22   3.136  -0.200  -4.638
  196   3HD1  ILE  22          3HD1      ILE  22   1.598   0.646  -4.785
  197    H    GLU  23           HN       GLU  23   6.475   0.967  -0.858
  198    HA   GLU  23           HA       GLU  23   8.911   1.020  -2.487
  199   1HB   GLU  23          2HB       GLU  23   8.288   2.717  -0.771
  200   2HB   GLU  23          1HB       GLU  23   8.429   1.478   0.476
  201   1HG   GLU  23          2HG       GLU  23  10.508   2.706   0.433
  202   2HG   GLU  23          1HG       GLU  23  10.812   1.116  -0.268
  203    H    LYS  24           HN       LYS  24   7.550  -1.019   0.069
  204    HA   LYS  24           HA       LYS  24   9.979  -2.567   0.512
  205   1HB   LYS  24          2HB       LYS  24   7.779  -2.144   1.939
  206   2HB   LYS  24          1HB       LYS  24   7.207  -3.572   1.078
  207   1HG   LYS  24          2HG       LYS  24   8.931  -4.935   1.959
  208   2HG   LYS  24          1HG       LYS  24   9.889  -3.541   2.461
  209   1HD   LYS  24          2HD       LYS  24   7.152  -4.116   3.610
  210   2HD   LYS  24          1HD       LYS  24   8.627  -4.770   4.320
  211   1HE   LYS  24          2HE       LYS  24   8.897  -2.814   5.435
  212   2HE   LYS  24          1HE       LYS  24   9.101  -1.991   3.877
  213   1HZ   LYS  24          1HZ       LYS  24   6.742  -1.766   3.665
  214   2HZ   LYS  24          2HZ       LYS  24   7.187  -1.151   5.185
  215   3HZ   LYS  24          3HZ       LYS  24   6.468  -2.684   5.068
  216    H    PHE  25           HN       PHE  25   6.839  -3.414  -1.000
  217    HA   PHE  25           HA       PHE  25   7.974  -5.759  -2.287
  218   1HB   PHE  25          2HB       PHE  25   5.678  -5.662  -1.386
  219   2HB   PHE  25          1HB       PHE  25   5.288  -4.375  -2.527
  220    HD1  PHE  25           1HD      PHE  25   3.921  -5.144  -4.225
  221    HD2  PHE  25           2HD      PHE  25   7.112  -7.650  -2.825
  222    HE1  PHE  25           1HE      PHE  25   3.357  -6.827  -5.958
  223    HE2  PHE  25           2HE      PHE  25   6.552  -9.334  -4.558
  224    HZ   PHE  25           HZ       PHE  25   4.673  -8.923  -6.124
  225    H    LYS  26           HN       LYS  26   9.572  -3.889  -3.266
  226    HA   LYS  26           HA       LYS  26   8.592  -2.455  -5.589
  227   1HB   LYS  26          2HB       LYS  26  11.217  -3.114  -4.311
  228   2HB   LYS  26          1HB       LYS  26  11.213  -2.416  -5.930
  229   1HG   LYS  26          2HG       LYS  26   9.502  -1.132  -3.838
  230   2HG   LYS  26          1HG       LYS  26  11.244  -0.857  -3.775
  231   1HD   LYS  26          2HD       LYS  26   9.978  -0.592  -6.450
  232   2HD   LYS  26          1HD       LYS  26   9.574   0.657  -5.271
  233   1HE   LYS  26          2HE       LYS  26  11.674   1.555  -5.333
  234   2HE   LYS  26          1HE       LYS  26  12.450  -0.041  -5.375
  235   1HZ   LYS  26          1HZ       LYS  26  11.722  -0.286  -7.676
  236   2HZ   LYS  26          2HZ       LYS  26  12.713   1.083  -7.498
  237   3HZ   LYS  26          3HZ       LYS  26  11.029   1.261  -7.639
  238    H    GLY  27           HN       GLY  27   9.581  -5.706  -5.061
  239   1HA   GLY  27          2HA       GLY  27  10.757  -6.508  -7.464
  240   2HA   GLY  27          1HA       GLY  27   9.685  -7.543  -6.523
  241    H    ARG  28           HN       ARG  28   7.280  -7.128  -6.895
  242    HA   ARG  28           HA       ARG  28   6.772  -7.053  -9.796
  243   1HB   ARG  28          2HB       ARG  28   5.820  -8.549  -7.797
  244   2HB   ARG  28          1HB       ARG  28   4.633  -7.247  -7.714
  245   1HG   ARG  28          2HG       ARG  28   5.271  -8.354 -10.410
  246   2HG   ARG  28          1HG       ARG  28   4.290  -9.348  -9.331
  247   1HD   ARG  28          2HD       ARG  28   2.823  -7.277  -8.973
  248   2HD   ARG  28          1HD       ARG  28   3.679  -6.563 -10.355
  249    HE   ARG  28           HE       ARG  28   2.103  -9.105 -10.488
  250   1HH1  ARG  28          1HH2      ARG  28   4.333  -8.564 -12.522
  251   2HH1  ARG  28          2HH2      ARG  28   3.420  -7.894 -13.834
  252   1HH2  ARG  28          1HH1      ARG  28   0.603  -7.281 -11.908
  253   2HH2  ARG  28          2HH1      ARG  28   1.308  -7.167 -13.485
  Start of MODEL   26
    1   1H    GLU   1          1HT       GLU   1 -14.305  10.042   2.888
    2   2H    GLU   1          2HT       GLU   1 -13.387  10.395   4.274
    3   3H    GLU   1          3HT       GLU   1 -14.837   9.520   4.411
    4    HA   GLU   1           HA       GLU   1 -12.833   8.089   4.584
    5   1HB   GLU   1          2HB       GLU   1 -15.031   7.916   2.561
    6   2HB   GLU   1          1HB       GLU   1 -13.797   6.656   2.544
    7   1HG   GLU   1          2HG       GLU   1 -15.342   7.485   5.016
    8   2HG   GLU   1          1HG       GLU   1 -15.757   6.100   4.006
    9    H    GLN   2           HN       GLN   2 -11.467   6.745   2.899
   10    HA   GLN   2           HA       GLN   2 -10.292   8.612   0.863
   11   1HB   GLN   2          2HB       GLN   2  -9.159   7.884   3.238
   12   2HB   GLN   2          1HB       GLN   2  -8.548   6.609   2.183
   13   1HG   GLN   2          2HG       GLN   2  -7.309   8.069   0.902
   14   2HG   GLN   2          1HG       GLN   2  -8.434   9.404   1.149
   15   1HE2  GLN   2          1HE2      GLN   2  -5.561   9.648   1.516
   16   2HE2  GLN   2          2HE2      GLN   2  -5.283   9.981   3.158
   17    H    TYR   3           HN       TYR   3  -8.779   7.193  -0.653
   18    HA   TYR   3           HA       TYR   3 -10.351   5.423  -2.156
   19   1HB   TYR   3          2HB       TYR   3  -8.127   4.744  -3.137
   20   2HB   TYR   3          1HB       TYR   3  -8.423   6.480  -3.074
   21    HD1  TYR   3           1HD      TYR   3  -6.796   7.846  -2.238
   22    HD2  TYR   3           2HD      TYR   3  -6.922   3.753  -0.916
   23    HE1  TYR   3           1HE      TYR   3  -4.747   8.207  -0.916
   24    HE2  TYR   3           2HE      TYR   3  -4.874   4.128   0.397
   25    HH   TYR   3           HH       TYR   3  -3.626   7.214   1.051
   26    H    THR   4           HN       THR   4  -9.719   3.082  -2.629
   27    HA   THR   4           HA       THR   4  -9.142   1.604  -0.087
   28    HB   THR   4           HB       THR   4 -10.835  -0.070  -1.268
   29    HG1  THR   4           1HG      THR   4 -11.932   0.778  -2.829
   30   1HG2  THR   4          1HG2      THR   4 -11.151   1.026   0.924
   31   2HG2  THR   4          2HG2      THR   4 -12.657   0.970   0.006
   32   3HG2  THR   4          3HG2      THR   4 -11.741   2.474   0.107
   33    H    ALA   5           HN       ALA   5  -7.242   2.256  -2.163
   34    HA   ALA   5           HA       ALA   5  -6.754   0.406  -4.194
   35   1HB   ALA   5          1HB       ALA   5  -5.453   2.492  -3.184
   36   2HB   ALA   5          2HB       ALA   5  -4.593   1.263  -4.117
   37   3HB   ALA   5          3HB       ALA   5  -4.539   1.225  -2.350
   38    H    LYS   6           HN       LYS   6  -6.370  -1.815  -4.161
   39    HA   LYS   6           HA       LYS   6  -5.499  -2.992  -1.545
   40   1HB   LYS   6          2HB       LYS   6  -7.099  -4.435  -3.660
   41   2HB   LYS   6          1HB       LYS   6  -6.879  -4.866  -1.967
   42   1HG   LYS   6          2HG       LYS   6  -8.136  -2.812  -1.311
   43   2HG   LYS   6          1HG       LYS   6  -8.439  -2.492  -3.019
   44   1HD   LYS   6          2HD       LYS   6  -9.203  -5.104  -1.701
   45   2HD   LYS   6          1HD       LYS   6 -10.298  -3.724  -1.775
   46   1HE   LYS   6          2HE       LYS   6 -10.005  -3.702  -4.280
   47   2HE   LYS   6          1HE       LYS   6  -9.091  -5.216  -4.127
   48   1HZ   LYS   6          1HZ       LYS   6 -11.875  -4.721  -3.218
   49   2HZ   LYS   6          2HZ       LYS   6 -10.993  -6.126  -2.862
   50   3HZ   LYS   6          3HZ       LYS   6 -11.386  -5.756  -4.473
   51    H    TYR   7           HN       TYR   7  -3.826  -4.409  -1.553
   52    HA   TYR   7           HA       TYR   7  -2.526  -5.020  -4.188
   53   1HB   TYR   7          2HB       TYR   7  -1.364  -4.165  -1.531
   54   2HB   TYR   7          1HB       TYR   7  -0.394  -4.721  -2.891
   55    HD1  TYR   7           1HD      TYR   7   0.234  -3.256  -4.567
   56    HD2  TYR   7           2HD      TYR   7  -3.015  -2.234  -1.986
   57    HE1  TYR   7           1HE      TYR   7   0.174  -0.987  -5.557
   58    HE2  TYR   7           2HE      TYR   7  -3.114   0.034  -2.964
   59    HH   TYR   7           HH       TYR   7  -0.633   1.269  -4.960
   60    H    LYS   8           HN       LYS   8  -2.493  -7.223  -4.449
   61    HA   LYS   8           HA       LYS   8  -2.479  -9.539  -3.928
   62   1HB   LYS   8          2HB       LYS   8  -0.216  -8.486  -3.158
   63   2HB   LYS   8          1HB       LYS   8  -0.848  -8.724  -1.528
   64   1HG   LYS   8          2HG       LYS   8   0.170 -10.769  -1.799
   65   2HG   LYS   8          1HG       LYS   8  -1.390 -11.153  -2.527
   66   1HD   LYS   8          2HD       LYS   8   0.027 -11.866  -4.216
   67   2HD   LYS   8          1HD       LYS   8  -0.231 -10.192  -4.711
   68   1HE   LYS   8          2HE       LYS   8   1.883  -9.920  -2.967
   69   2HE   LYS   8          1HE       LYS   8   2.231 -11.486  -3.727
   70   1HZ   LYS   8          1HZ       LYS   8   1.628  -8.926  -5.108
   71   2HZ   LYS   8          2HZ       LYS   8   1.727 -10.428  -5.895
   72   3HZ   LYS   8          3HZ       LYS   8   3.097  -9.773  -5.133
   73    H    GLY   9           HN       GLY   9  -4.544  -7.726  -2.551
   74   1HA   GLY   9          2HA       GLY   9  -6.433  -8.487  -1.263
   75   2HA   GLY   9          1HA       GLY   9  -5.410  -9.730  -0.544
   76    H    ARG  10           HN       ARG  10  -4.658  -6.266  -0.810
   77    HA   ARG  10           HA       ARG  10  -5.017  -5.954   2.143
   78   1HB   ARG  10          2HB       ARG  10  -2.501  -5.333   0.551
   79   2HB   ARG  10          1HB       ARG  10  -2.725  -5.022   2.272
   80   1HG   ARG  10          2HG       ARG  10  -3.087  -7.456   2.645
   81   2HG   ARG  10          1HG       ARG  10  -2.775  -7.744   0.934
   82   1HD   ARG  10          2HD       ARG  10  -0.551  -7.799   1.354
   83   2HD   ARG  10          1HD       ARG  10  -0.625  -6.140   1.976
   84    HE   ARG  10           HE       ARG  10  -0.647  -8.574   3.599
   85   1HH1  ARG  10          1HH2      ARG  10  -0.065  -5.333   3.708
   86   2HH1  ARG  10          2HH2      ARG  10  -0.810  -5.041   5.244
   87   1HH2  ARG  10          1HH1      ARG  10  -2.268  -8.181   5.433
   88   2HH2  ARG  10          2HH1      ARG  10  -2.057  -6.653   6.221
   89    H    THR  11           HN       THR  11  -6.699  -4.388   1.810
   90    HA   THR  11           HA       THR  11  -6.585  -2.298  -0.142
   91    HB   THR  11           HB       THR  11  -8.039  -2.357   2.514
   92    HG1  THR  11           1HG      THR  11  -9.135  -3.897   1.638
   93   1HG2  THR  11          1HG2      THR  11  -8.451  -0.225   1.759
   94   2HG2  THR  11          2HG2      THR  11  -9.671  -1.070   0.805
   95   3HG2  THR  11          3HG2      THR  11  -8.121  -0.644   0.078
   96    H    PHE  12           HN       PHE  12  -6.306   0.057   0.341
   97    HA   PHE  12           HA       PHE  12  -4.476   0.588   2.649
   98   1HB   PHE  12          2HB       PHE  12  -4.248   1.228  -0.294
   99   2HB   PHE  12          1HB       PHE  12  -3.455   2.269   0.906
  100    HD1  PHE  12           1HD      PHE  12  -1.604   1.428   2.284
  101    HD2  PHE  12           2HD      PHE  12  -3.674  -1.065  -0.534
  102    HE1  PHE  12           1HE      PHE  12   0.194  -0.283   2.483
  103    HE2  PHE  12           2HE      PHE  12  -1.890  -2.788  -0.316
  104    HZ   PHE  12           HZ       PHE  12   0.043  -2.393   1.188
  105    H    ARG  13           HN       ARG  13  -5.309   2.118   3.952
  106    HA   ARG  13           HA       ARG  13  -7.204   4.139   2.797
  107   1HB   ARG  13          2HB       ARG  13  -8.181   4.134   5.100
  108   2HB   ARG  13          1HB       ARG  13  -8.248   2.543   4.345
  109   1HG   ARG  13          2HG       ARG  13  -6.663   1.648   5.763
  110   2HG   ARG  13          1HG       ARG  13  -5.832   3.189   5.980
  111   1HD   ARG  13          2HD       ARG  13  -7.484   3.978   7.524
  112   2HD   ARG  13          1HD       ARG  13  -8.598   2.659   7.108
  113    HE   ARG  13           HE       ARG  13  -5.949   2.174   8.425
  114   1HH1  ARG  13          1HH2      ARG  13  -8.264   0.311   7.126
  115   2HH1  ARG  13          2HH2      ARG  13  -8.793  -0.454   8.587
  116   1HH2  ARG  13          1HH1      ARG  13  -7.067   1.719  10.665
  117   2HH2  ARG  13          2HH1      ARG  13  -8.116   0.342  10.590
  118    H    ASN  14           HN       ASN  14  -4.317   4.385   2.833
  119    HA   ASN  14           HA       ASN  14  -4.036   6.989   4.095
  120   1HB   ASN  14          2HB       ASN  14  -3.749   4.805   5.775
  121   2HB   ASN  14          1HB       ASN  14  -2.082   5.136   5.304
  122   1HD2  ASN  14          1HD2      ASN  14  -1.110   7.119   6.046
  123   2HD2  ASN  14          2HD2      ASN  14  -1.884   8.156   7.146
  124    H    GLU  15           HN       GLU  15  -2.358   8.067   3.074
  125    HA   GLU  15           HA       GLU  15  -1.026   6.845   0.819
  126   1HB   GLU  15          2HB       GLU  15  -1.679   9.354   1.600
  127   2HB   GLU  15          1HB       GLU  15   0.031   9.344   2.040
  128   1HG   GLU  15          2HG       GLU  15   0.733   9.205  -0.138
  129   2HG   GLU  15          1HG       GLU  15  -0.648   8.223  -0.628
  130    H    LYS  16           HN       LYS  16   0.088   7.783   4.081
  131    HA   LYS  16           HA       LYS  16   2.832   7.245   3.817
  132   1HB   LYS  16          2HB       LYS  16   0.892   6.963   6.111
  133   2HB   LYS  16          1HB       LYS  16   2.637   6.816   6.321
  134   1HG   LYS  16          2HG       LYS  16   2.550   9.131   4.926
  135   2HG   LYS  16          1HG       LYS  16   0.997   9.229   5.758
  136   1HD   LYS  16          2HD       LYS  16   2.002   9.144   7.895
  137   2HD   LYS  16          1HD       LYS  16   3.523   8.527   7.250
  138   1HE   LYS  16          2HE       LYS  16   3.874  10.868   7.757
  139   2HE   LYS  16          1HE       LYS  16   3.736  10.750   5.991
  140   1HZ   LYS  16          1HZ       LYS  16   1.433  11.252   7.798
  141   2HZ   LYS  16          2HZ       LYS  16   1.441  11.324   6.103
  142   3HZ   LYS  16          3HZ       LYS  16   2.290  12.488   7.004
  143    H    GLU  17           HN       GLU  17   0.211   5.069   4.652
  144    HA   GLU  17           HA       GLU  17   1.731   2.705   5.187
  145   1HB   GLU  17          2HB       GLU  17  -1.065   3.242   4.154
  146   2HB   GLU  17          1HB       GLU  17  -0.501   1.617   4.533
  147   1HG   GLU  17          2HG       GLU  17  -0.516   3.939   6.476
  148   2HG   GLU  17          1HG       GLU  17  -1.723   2.655   6.420
  149    H    LEU  18           HN       LEU  18  -0.232   3.334   2.299
  150    HA   LEU  18           HA       LEU  18   0.751   1.275   0.688
  151   1HB   LEU  18          2HB       LEU  18  -1.250   2.778   0.365
  152   2HB   LEU  18          1HB       LEU  18  -0.144   4.015  -0.232
  153    HG   LEU  18           HG       LEU  18   0.666   2.340  -1.936
  154   1HD1  LEU  18          1HD1      LEU  18  -0.438   0.431  -0.463
  155   2HD1  LEU  18          2HD1      LEU  18  -0.371   0.277  -2.209
  156   3HD1  LEU  18          3HD1      LEU  18  -1.858   0.809  -1.425
  157   1HD2  LEU  18          1HD2      LEU  18  -2.268   3.109  -1.939
  158   2HD2  LEU  18          2HD2      LEU  18  -1.380   2.561  -3.360
  159   3HD2  LEU  18          3HD2      LEU  18  -0.931   4.071  -2.569
  160    H    ARG  19           HN       ARG  19   1.881   4.704   0.568
  161    HA   ARG  19           HA       ARG  19   3.861   4.362  -1.414
  162   1HB   ARG  19          2HB       ARG  19   3.721   6.111   1.065
  163   2HB   ARG  19          1HB       ARG  19   4.966   6.307  -0.168
  164   1HG   ARG  19          2HG       ARG  19   2.745   6.239  -1.736
  165   2HG   ARG  19          1HG       ARG  19   2.079   6.973  -0.277
  166   1HD   ARG  19          2HD       ARG  19   3.383   8.881  -0.476
  167   2HD   ARG  19          1HD       ARG  19   4.697   8.019  -1.302
  168    HE   ARG  19           HE       ARG  19   2.099   8.752  -2.596
  169   1HH1  ARG  19          1HH1      ARG  19   4.126   6.462  -3.459
  170   2HH1  ARG  19          2HH1      ARG  19   4.856   7.250  -4.817
  171   1HH2  ARG  19          1HH2      ARG  19   3.596  10.380  -4.017
  172   2HH2  ARG  19          2HH2      ARG  19   4.556   9.467  -5.133
  173    H    ASP  20           HN       ASP  20   3.968   3.549   2.029
  174    HA   ASP  20           HA       ASP  20   6.814   2.880   2.083
  175   1HB   ASP  20          2HB       ASP  20   4.425   2.804   3.837
  176   2HB   ASP  20          1HB       ASP  20   5.606   1.533   4.159
  177    H    PHE  21           HN       PHE  21   3.745   1.189   1.660
  178    HA   PHE  21           HA       PHE  21   4.712  -1.530   1.515
  179   1HB   PHE  21          2HB       PHE  21   2.370  -0.978   1.828
  180   2HB   PHE  21          1HB       PHE  21   2.321  -0.062   0.336
  181    HD1  PHE  21           1HD      PHE  21   1.998  -1.131  -1.792
  182    HD2  PHE  21           2HD      PHE  21   2.864  -3.408   1.750
  183    HE1  PHE  21           1HE      PHE  21   1.518  -3.248  -3.016
  184    HE2  PHE  21           2HE      PHE  21   2.379  -5.522   0.526
  185    HZ   PHE  21           HZ       PHE  21   1.705  -5.434  -1.862
  186    H    ILE  22           HN       ILE  22   3.576   0.608  -1.036
  187    HA   ILE  22           HA       ILE  22   4.253  -0.725  -3.369
  188    HB   ILE  22           HB       ILE  22   4.434   2.229  -2.682
  189   1HG1  ILE  22          2HG1      ILE  22   2.243   1.079  -2.219
  190   2HG1  ILE  22          1HG1      ILE  22   2.120   2.308  -3.474
  191   1HG2  ILE  22          1HG2      ILE  22   4.122   2.640  -5.077
  192   2HG2  ILE  22          2HG2      ILE  22   4.097   0.904  -5.386
  193   3HG2  ILE  22          3HG2      ILE  22   5.578   1.679  -4.825
  194   1HD1  ILE  22          1HD1      ILE  22   1.512  -0.486  -3.614
  195   2HD1  ILE  22          2HD1      ILE  22   2.808  -0.131  -4.753
  196   3HD1  ILE  22          3HD1      ILE  22   1.285   0.751  -4.848
  197    H    GLU  23           HN       GLU  23   6.380   1.044  -1.200
  198    HA   GLU  23           HA       GLU  23   8.725   0.724  -2.999
  199   1HB   GLU  23          2HB       GLU  23   8.121   2.110  -0.380
  200   2HB   GLU  23          1HB       GLU  23   9.778   1.957  -0.969
  201   1HG   GLU  23          2HG       GLU  23   7.539   3.116  -2.644
  202   2HG   GLU  23          1HG       GLU  23   8.592   4.106  -1.632
  203    H    LYS  24           HN       LYS  24   7.347  -0.566  -0.020
  204    HA   LYS  24           HA       LYS  24   9.700  -2.070   0.802
  205   1HB   LYS  24          2HB       LYS  24   7.866  -1.327   2.309
  206   2HB   LYS  24          1HB       LYS  24   6.750  -2.392   1.452
  207   1HG   LYS  24          2HG       LYS  24   8.772  -4.135   2.052
  208   2HG   LYS  24          1HG       LYS  24   8.833  -3.055   3.445
  209   1HD   LYS  24          2HD       LYS  24   6.119  -3.913   2.604
  210   2HD   LYS  24          1HD       LYS  24   7.148  -5.179   3.276
  211   1HE   LYS  24          2HE       LYS  24   7.614  -3.146   5.052
  212   2HE   LYS  24          1HE       LYS  24   5.915  -2.858   4.629
  213   1HZ   LYS  24          1HZ       LYS  24   5.502  -5.243   4.967
  214   2HZ   LYS  24          2HZ       LYS  24   6.024  -4.481   6.388
  215   3HZ   LYS  24          3HZ       LYS  24   7.104  -5.440   5.495
  216    H    PHE  25           HN       PHE  25   6.852  -2.708  -1.192
  217    HA   PHE  25           HA       PHE  25   6.851  -5.479  -1.432
  218   1HB   PHE  25          2HB       PHE  25   5.152  -4.118  -2.420
  219   2HB   PHE  25          1HB       PHE  25   6.327  -3.241  -3.394
  220    HD1  PHE  25           1HD      PHE  25   6.120  -3.701  -5.640
  221    HD2  PHE  25           2HD      PHE  25   5.573  -6.890  -2.818
  222    HE1  PHE  25           1HE      PHE  25   5.811  -5.290  -7.512
  223    HE2  PHE  25           2HE      PHE  25   5.255  -8.489  -4.691
  224    HZ   PHE  25           HZ       PHE  25   5.372  -7.690  -7.038
  225    H    LYS  26           HN       LYS  26   8.025  -4.063  -4.393
  226    HA   LYS  26           HA       LYS  26  10.704  -5.250  -4.139
  227   1HB   LYS  26          2HB       LYS  26   8.494  -6.072  -6.017
  228   2HB   LYS  26          1HB       LYS  26  10.172  -6.578  -6.234
  229   1HG   LYS  26          2HG       LYS  26  10.022  -7.435  -3.807
  230   2HG   LYS  26          1HG       LYS  26   8.277  -7.240  -3.986
  231   1HD   LYS  26          2HD       LYS  26   8.135  -8.873  -5.669
  232   2HD   LYS  26          1HD       LYS  26   9.854  -8.764  -6.050
  233   1HE   LYS  26          2HE       LYS  26   9.190  -9.590  -3.267
  234   2HE   LYS  26          1HE       LYS  26   8.845 -10.771  -4.547
  235   1HZ   LYS  26          1HZ       LYS  26  11.171 -10.860  -3.717
  236   2HZ   LYS  26          2HZ       LYS  26  11.405  -9.285  -4.301
  237   3HZ   LYS  26          3HZ       LYS  26  11.055 -10.547  -5.384
  238    H    GLY  27           HN       GLY  27   8.582  -4.291  -6.784
  239   1HA   GLY  27          2HA       GLY  27   8.661  -2.313  -8.113
  240   2HA   GLY  27          1HA       GLY  27  10.192  -1.884  -7.347
  241    H    ARG  28           HN       ARG  28  11.708  -4.161  -7.760
  242    HA   ARG  28           HA       ARG  28  12.428  -3.913 -10.569
  243   1HB   ARG  28          2HB       ARG  28  14.002  -4.268  -8.656
  244   2HB   ARG  28          1HB       ARG  28  13.324  -5.882  -8.436
  245   1HG   ARG  28          2HG       ARG  28  14.104  -6.608 -10.575
  246   2HG   ARG  28          1HG       ARG  28  14.494  -4.961 -11.069
  247   1HD   ARG  28          2HD       ARG  28  15.861  -5.754  -8.586
  248   2HD   ARG  28          1HD       ARG  28  16.309  -6.749  -9.985
  249    HE   ARG  28           HE       ARG  28  16.671  -4.525 -11.202
  250   1HH1  ARG  28          1HH1      ARG  28  18.837  -5.174  -9.175
  251   2HH1  ARG  28          2HH1      ARG  28  18.988  -3.664  -8.342
  252   1HH2  ARG  28          1HH2      ARG  28  15.980  -2.408  -9.526
  253   2HH2  ARG  28          2HH2      ARG  28  17.370  -2.097  -8.540
  Start of MODEL   27
    1   1H    GLU   1          1HT       GLU   1 -18.171   6.710   0.215
    2   2H    GLU   1          2HT       GLU   1 -17.325   8.178   0.336
    3   3H    GLU   1          3HT       GLU   1 -16.663   6.757   0.992
    4    HA   GLU   1           HA       GLU   1 -16.544   5.807  -1.285
    5   1HB   GLU   1          2HB       GLU   1 -18.437   7.485  -1.898
    6   2HB   GLU   1          1HB       GLU   1 -17.127   8.640  -2.148
    7   1HG   GLU   1          2HG       GLU   1 -16.306   7.523  -3.989
    8   2HG   GLU   1          1HG       GLU   1 -16.844   5.948  -3.405
    9    H    GLN   2           HN       GLN   2 -14.360   5.616  -0.703
   10    HA   GLN   2           HA       GLN   2 -12.569   7.792  -1.552
   11   1HB   GLN   2          2HB       GLN   2 -13.484   7.947   0.979
   12   2HB   GLN   2          1HB       GLN   2 -12.124   6.855   1.242
   13   1HG   GLN   2          2HG       GLN   2 -11.005   8.872   1.450
   14   2HG   GLN   2          1HG       GLN   2 -10.866   8.668  -0.296
   15   1HE2  GLN   2          1HE2      GLN   2 -12.289   9.966  -1.676
   16   2HE2  GLN   2          2HE2      GLN   2 -13.107  11.321  -1.063
   17    H    TYR   3           HN       TYR   3 -10.343   6.782  -0.109
   18    HA   TYR   3           HA       TYR   3  -8.906   5.183  -1.636
   19   1HB   TYR   3          2HB       TYR   3  -9.213   5.547   1.263
   20   2HB   TYR   3          1HB       TYR   3  -8.336   4.081   0.819
   21    HD1  TYR   3           1HD      TYR   3  -8.325   7.716   0.820
   22    HD2  TYR   3           2HD      TYR   3  -6.331   4.191  -0.583
   23    HE1  TYR   3           1HE      TYR   3  -6.359   9.079   0.239
   24    HE2  TYR   3           2HE      TYR   3  -4.342   5.535  -1.173
   25    HH   TYR   3           HH       TYR   3  -3.865   8.687  -0.061
   26    H    THR   4           HN       THR   4  -8.700   3.212  -2.373
   27    HA   THR   4           HA       THR   4  -9.890   0.871  -1.093
   28    HB   THR   4           HB       THR   4 -10.702   1.418  -3.941
   29    HG1  THR   4           1HG      THR   4 -12.119   2.188  -1.609
   30   1HG2  THR   4          1HG2      THR   4 -11.353  -0.477  -1.753
   31   2HG2  THR   4          2HG2      THR   4 -11.357  -0.724  -3.502
   32   3HG2  THR   4          3HG2      THR   4 -12.723   0.074  -2.723
   33    H    ALA   5           HN       ALA   5  -7.217   2.033  -2.063
   34    HA   ALA   5           HA       ALA   5  -6.316   0.596  -4.360
   35   1HB   ALA   5          1HB       ALA   5  -5.364   2.549  -2.690
   36   2HB   ALA   5          2HB       ALA   5  -4.385   1.709  -3.895
   37   3HB   ALA   5          3HB       ALA   5  -4.368   1.162  -2.212
   38    H    LYS   6           HN       LYS   6  -5.863  -1.569  -4.517
   39    HA   LYS   6           HA       LYS   6  -5.224  -3.038  -1.984
   40   1HB   LYS   6          2HB       LYS   6  -6.218  -5.019  -3.187
   41   2HB   LYS   6          1HB       LYS   6  -7.372  -3.739  -2.817
   42   1HG   LYS   6          2HG       LYS   6  -7.670  -3.186  -5.011
   43   2HG   LYS   6          1HG       LYS   6  -5.993  -3.526  -5.435
   44   1HD   LYS   6          2HD       LYS   6  -6.410  -5.740  -5.877
   45   2HD   LYS   6          1HD       LYS   6  -7.655  -5.859  -4.633
   46   1HE   LYS   6          2HE       LYS   6  -8.324  -4.072  -6.905
   47   2HE   LYS   6          1HE       LYS   6  -8.231  -5.802  -7.291
   48   1HZ   LYS   6          1HZ       LYS   6  -9.665  -4.737  -4.922
   49   2HZ   LYS   6          2HZ       LYS   6  -9.713  -6.318  -5.532
   50   3HZ   LYS   6          3HZ       LYS   6 -10.433  -5.051  -6.404
   51    H    TYR   7           HN       TYR   7  -3.407  -4.302  -2.026
   52    HA   TYR   7           HA       TYR   7  -1.843  -4.359  -4.585
   53   1HB   TYR   7          2HB       TYR   7  -1.072  -3.751  -1.729
   54   2HB   TYR   7          1HB       TYR   7   0.129  -4.187  -2.940
   55    HD1  TYR   7           1HD      TYR   7   0.990  -2.571  -4.349
   56    HD2  TYR   7           2HD      TYR   7  -2.745  -1.895  -2.365
   57    HE1  TYR   7           1HE      TYR   7   0.969  -0.257  -5.200
   58    HE2  TYR   7           2HE      TYR   7  -2.788   0.433  -3.200
   59    HH   TYR   7           HH       TYR   7  -1.433   1.548  -5.563
   60    H    LYS   8           HN       LYS   8  -2.637  -6.040  -1.565
   61    HA   LYS   8           HA       LYS   8  -2.032  -8.638  -2.838
   62   1HB   LYS   8          2HB       LYS   8   0.070  -7.611  -1.767
   63   2HB   LYS   8          1HB       LYS   8  -0.737  -7.848  -0.217
   64   1HG   LYS   8          2HG       LYS   8   0.402  -9.856  -0.373
   65   2HG   LYS   8          1HG       LYS   8  -1.105 -10.301  -1.178
   66   1HD   LYS   8          2HD       LYS   8   0.060  -9.495  -3.350
   67   2HD   LYS   8          1HD       LYS   8   1.555  -9.614  -2.421
   68   1HE   LYS   8          2HE       LYS   8   1.459 -11.922  -2.303
   69   2HE   LYS   8          1HE       LYS   8  -0.316 -11.950  -2.329
   70   1HZ   LYS   8          1HZ       LYS   8  -0.206 -11.122  -4.638
   71   2HZ   LYS   8          2HZ       LYS   8   0.489 -12.662  -4.461
   72   3HZ   LYS   8          3HZ       LYS   8   1.484 -11.296  -4.602
   73    H    GLY   9           HN       GLY   9  -4.540  -7.914  -2.271
   74   1HA   GLY   9          2HA       GLY   9  -6.445  -8.664  -1.110
   75   2HA   GLY   9          1HA       GLY   9  -5.388  -9.741  -0.190
   76    H    ARG  10           HN       ARG  10  -4.831  -6.285  -0.402
   77    HA   ARG  10           HA       ARG  10  -5.938  -5.832   2.328
   78   1HB   ARG  10          2HB       ARG  10  -3.058  -5.345   1.474
   79   2HB   ARG  10          1HB       ARG  10  -3.740  -4.961   3.056
   80   1HG   ARG  10          2HG       ARG  10  -4.308  -7.404   3.325
   81   2HG   ARG  10          1HG       ARG  10  -3.405  -7.718   1.844
   82   1HD   ARG  10          2HD       ARG  10  -1.347  -7.141   2.819
   83   2HD   ARG  10          1HD       ARG  10  -2.117  -6.192   4.107
   84    HE   ARG  10           HE       ARG  10  -2.417  -9.168   3.938
   85   1HH1  ARG  10          1HH2      ARG  10  -3.539  -6.751   5.810
   86   2HH1  ARG  10          2HH2      ARG  10  -2.791  -7.247   7.292
   87   1HH2  ARG  10          1HH1      ARG  10  -0.736  -9.593   5.776
   88   2HH2  ARG  10          2HH1      ARG  10  -1.203  -8.856   7.273
   89    H    THR  11           HN       THR  11  -7.295  -4.079   1.761
   90    HA   THR  11           HA       THR  11  -6.618  -2.185  -0.301
   91    HB   THR  11           HB       THR  11  -8.574  -2.029   2.017
   92    HG1  THR  11           1HG      THR  11  -9.390  -3.562   0.817
   93   1HG2  THR  11          1HG2      THR  11  -9.716  -0.368   0.470
   94   2HG2  THR  11          2HG2      THR  11  -8.224  -0.348  -0.471
   95   3HG2  THR  11          3HG2      THR  11  -8.215   0.199   1.205
   96    H    PHE  12           HN       PHE  12  -5.657  -0.087  -0.051
   97    HA   PHE  12           HA       PHE  12  -4.264   0.354   2.554
   98   1HB   PHE  12          2HB       PHE  12  -3.755   1.148  -0.326
   99   2HB   PHE  12          1HB       PHE  12  -2.882   1.914   1.019
  100    HD1  PHE  12           1HD      PHE  12  -1.086   0.779   2.099
  101    HD2  PHE  12           2HD      PHE  12  -3.775  -1.330  -0.478
  102    HE1  PHE  12           1HE      PHE  12   0.387  -1.221   2.223
  103    HE2  PHE  12           2HE      PHE  12  -2.343  -3.369  -0.316
  104    HZ   PHE  12           HZ       PHE  12  -0.252  -3.301   1.023
  105    H    ARG  13           HN       ARG  13  -5.602   1.565   3.804
  106    HA   ARG  13           HA       ARG  13  -7.073   3.873   2.624
  107   1HB   ARG  13          2HB       ARG  13  -7.858   1.940   4.309
  108   2HB   ARG  13          1HB       ARG  13  -7.230   3.077   5.502
  109   1HG   ARG  13          2HG       ARG  13  -8.762   4.756   4.896
  110   2HG   ARG  13          1HG       ARG  13  -9.094   4.015   3.330
  111   1HD   ARG  13          2HD       ARG  13 -10.589   2.492   4.213
  112   2HD   ARG  13          1HD       ARG  13  -9.737   2.405   5.768
  113    HE   ARG  13           HE       ARG  13 -11.613   4.565   4.954
  114   1HH1  ARG  13          1HH1      ARG  13 -11.512   2.636   7.445
  115   2HH1  ARG  13          2HH1      ARG  13 -11.154   3.795   8.681
  116   1HH2  ARG  13          1HH2      ARG  13 -10.256   6.294   6.451
  117   2HH2  ARG  13          2HH2      ARG  13 -10.444   5.865   8.119
  118    H    ASN  14           HN       ASN  14  -4.115   3.864   3.054
  119    HA   ASN  14           HA       ASN  14  -3.947   6.392   4.582
  120   1HB   ASN  14          2HB       ASN  14  -3.655   4.742   6.304
  121   2HB   ASN  14          1HB       ASN  14  -2.575   3.780   5.298
  122   1HD2  ASN  14          1HD2      ASN  14  -2.761   7.181   6.435
  123   2HD2  ASN  14          2HD2      ASN  14  -1.125   7.293   6.873
  124    H    GLU  15           HN       GLU  15  -2.853   7.691   3.191
  125    HA   GLU  15           HA       GLU  15  -1.403   6.884   0.894
  126   1HB   GLU  15          2HB       GLU  15  -2.359   9.181   1.826
  127   2HB   GLU  15          1HB       GLU  15  -0.699   9.385   2.388
  128   1HG   GLU  15          2HG       GLU  15   0.152   9.075   0.126
  129   2HG   GLU  15          1HG       GLU  15  -1.470   8.719  -0.468
  130    H    LYS  16           HN       LYS  16  -0.240   7.600   4.184
  131    HA   LYS  16           HA       LYS  16   2.544   7.444   3.709
  132   1HB   LYS  16          2HB       LYS  16   0.903   7.956   5.811
  133   2HB   LYS  16          1HB       LYS  16   1.478   6.346   6.241
  134   1HG   LYS  16          2HG       LYS  16   3.796   7.078   6.071
  135   2HG   LYS  16          1HG       LYS  16   3.285   8.666   5.498
  136   1HD   LYS  16          2HD       LYS  16   2.501   7.510   8.189
  137   2HD   LYS  16          1HD       LYS  16   3.861   8.607   7.950
  138   1HE   LYS  16          2HE       LYS  16   1.456   9.665   6.684
  139   2HE   LYS  16          1HE       LYS  16   1.195   9.361   8.412
  140   1HZ   LYS  16          1HZ       LYS  16   3.433  10.885   7.191
  141   2HZ   LYS  16          2HZ       LYS  16   3.357  10.456   8.833
  142   3HZ   LYS  16          3HZ       LYS  16   2.198  11.508   8.172
  143    H    GLU  17           HN       GLU  17   0.211   4.971   4.558
  144    HA   GLU  17           HA       GLU  17   1.924   2.720   4.854
  145   1HB   GLU  17          2HB       GLU  17  -0.926   3.302   4.284
  146   2HB   GLU  17          1HB       GLU  17  -0.384   1.698   3.791
  147   1HG   GLU  17          2HG       GLU  17   0.420   1.224   6.029
  148   2HG   GLU  17          1HG       GLU  17   0.055   2.871   6.549
  149    H    LEU  18           HN       LEU  18   0.030   3.653   1.971
  150    HA   LEU  18           HA       LEU  18   1.029   1.778   0.133
  151   1HB   LEU  18          2HB       LEU  18  -0.744   3.834   0.135
  152   2HB   LEU  18          1HB       LEU  18   0.555   4.566  -0.805
  153    HG   LEU  18           HG       LEU  18   0.511   2.675  -2.368
  154   1HD1  LEU  18          1HD1      LEU  18  -0.875   1.392  -0.237
  155   2HD1  LEU  18          2HD1      LEU  18  -0.380   0.678  -1.766
  156   3HD1  LEU  18          3HD1      LEU  18  -1.969   1.430  -1.608
  157   1HD2  LEU  18          1HD2      LEU  18  -2.040   4.148  -1.773
  158   2HD2  LEU  18          2HD2      LEU  18  -1.977   2.991  -3.104
  159   3HD2  LEU  18          3HD2      LEU  18  -0.904   4.391  -3.100
  160    H    ARG  19           HN       ARG  19   2.329   5.044   0.825
  161    HA   ARG  19           HA       ARG  19   4.499   4.989  -1.019
  162   1HB   ARG  19          2HB       ARG  19   4.092   6.299   1.684
  163   2HB   ARG  19          1HB       ARG  19   5.465   6.664   0.639
  164   1HG   ARG  19          2HG       ARG  19   3.259   6.853  -1.068
  165   2HG   ARG  19          1HG       ARG  19   2.693   7.571   0.440
  166   1HD   ARG  19          2HD       ARG  19   5.082   8.776   0.342
  167   2HD   ARG  19          1HD       ARG  19   4.861   8.499  -1.398
  168    HE   ARG  19           HE       ARG  19   3.131  10.182   0.313
  169   1HH1  ARG  19          1HH2      ARG  19   1.352   8.533  -1.403
  170   2HH1  ARG  19          2HH2      ARG  19   1.236   9.481  -2.848
  171   1HH2  ARG  19          1HH1      ARG  19   4.004  11.435  -2.104
  172   2HH2  ARG  19          2HH1      ARG  19   2.737  11.124  -3.245
  173    H    ASP  20           HN       ASP  20   4.047   3.280   1.991
  174    HA   ASP  20           HA       ASP  20   6.944   2.627   2.196
  175   1HB   ASP  20          2HB       ASP  20   5.084   3.302   4.046
  176   2HB   ASP  20          1HB       ASP  20   4.916   1.546   4.084
  177    H    PHE  21           HN       PHE  21   3.769   1.098   1.648
  178    HA   PHE  21           HA       PHE  21   4.599  -1.636   1.730
  179   1HB   PHE  21          2HB       PHE  21   2.273  -0.858   1.725
  180   2HB   PHE  21          1HB       PHE  21   2.429  -0.311   0.069
  181    HD1  PHE  21           1HD      PHE  21   2.452  -1.871  -1.785
  182    HD2  PHE  21           2HD      PHE  21   2.553  -3.235   2.279
  183    HE1  PHE  21           1HE      PHE  21   2.045  -4.195  -2.557
  184    HE2  PHE  21           2HE      PHE  21   2.141  -5.569   1.513
  185    HZ   PHE  21           HZ       PHE  21   1.887  -6.045  -0.910
  186    H    ILE  22           HN       ILE  22   3.728   0.027  -1.301
  187    HA   ILE  22           HA       ILE  22   4.945  -1.666  -3.138
  188    HB   ILE  22           HB       ILE  22   4.618   1.350  -3.161
  189   1HG1  ILE  22          2HG1      ILE  22   2.763   0.138  -4.836
  190   2HG1  ILE  22          1HG1      ILE  22   2.854  -0.978  -3.480
  191   1HG2  ILE  22          1HG2      ILE  22   4.768   1.183  -5.596
  192   2HG2  ILE  22          2HG2      ILE  22   4.987  -0.564  -5.485
  193   3HG2  ILE  22          3HG2      ILE  22   6.242   0.522  -4.888
  194   1HD1  ILE  22          1HD1      ILE  22   1.783   0.443  -2.103
  195   2HD1  ILE  22          2HD1      ILE  22   1.337   1.326  -3.562
  196   3HD1  ILE  22          3HD1      ILE  22   2.752   1.819  -2.637
  197    H    GLU  23           HN       GLU  23   6.427   0.847  -1.178
  198    HA   GLU  23           HA       GLU  23   8.992   0.957  -2.503
  199   1HB   GLU  23          2HB       GLU  23   7.961   2.598  -0.853
  200   2HB   GLU  23          1HB       GLU  23   8.347   1.441   0.422
  201   1HG   GLU  23          2HG       GLU  23  10.745   1.519  -0.311
  202   2HG   GLU  23          1HG       GLU  23  10.310   2.800  -1.443
  203    H    LYS  24           HN       LYS  24   7.649  -1.065   0.074
  204    HA   LYS  24           HA       LYS  24  10.215  -2.456   0.528
  205   1HB   LYS  24          2HB       LYS  24   8.361  -1.836   2.234
  206   2HB   LYS  24          1HB       LYS  24   7.471  -3.201   1.557
  207   1HG   LYS  24          2HG       LYS  24   8.928  -4.761   2.417
  208   2HG   LYS  24          1HG       LYS  24  10.315  -3.677   2.311
  209   1HD   LYS  24          2HD       LYS  24   9.947  -3.773   4.621
  210   2HD   LYS  24          1HD       LYS  24   9.063  -2.316   4.165
  211   1HE   LYS  24          2HE       LYS  24   6.962  -3.399   4.306
  212   2HE   LYS  24          1HE       LYS  24   7.696  -5.014   4.231
  213   1HZ   LYS  24          1HZ       LYS  24   7.101  -4.371   6.517
  214   2HZ   LYS  24          2HZ       LYS  24   8.148  -3.042   6.408
  215   3HZ   LYS  24          3HZ       LYS  24   8.772  -4.620   6.335
  216    H    PHE  25           HN       PHE  25   6.959  -3.243  -0.733
  217    HA   PHE  25           HA       PHE  25   8.020  -5.750  -1.870
  218   1HB   PHE  25          2HB       PHE  25   6.014  -5.744  -0.380
  219   2HB   PHE  25          1HB       PHE  25   5.185  -4.733  -1.565
  220    HD1  PHE  25           1HD      PHE  25   3.761  -5.843  -3.015
  221    HD2  PHE  25           2HD      PHE  25   7.260  -7.867  -1.568
  222    HE1  PHE  25           1HE      PHE  25   3.121  -7.866  -4.302
  223    HE2  PHE  25           2HE      PHE  25   6.622  -9.891  -2.855
  224    HZ   PHE  25           HZ       PHE  25   4.552  -9.889  -4.222
  225    H    LYS  26           HN       LYS  26   9.102  -4.000  -3.428
  226    HA   LYS  26           HA       LYS  26   7.635  -2.564  -5.363
  227   1HB   LYS  26          2HB       LYS  26  10.315  -3.940  -5.331
  228   2HB   LYS  26          1HB       LYS  26   9.780  -3.031  -6.745
  229   1HG   LYS  26          2HG       LYS  26   9.357  -1.067  -5.205
  230   2HG   LYS  26          1HG       LYS  26  10.156  -1.985  -3.927
  231   1HD   LYS  26          2HD       LYS  26  12.225  -2.034  -5.127
  232   2HD   LYS  26          1HD       LYS  26  11.461  -1.442  -6.602
  233   1HE   LYS  26          2HE       LYS  26  11.168   0.291  -4.197
  234   2HE   LYS  26          1HE       LYS  26  12.785   0.205  -4.923
  235   1HZ   LYS  26          1HZ       LYS  26  11.872   0.712  -7.059
  236   2HZ   LYS  26          2HZ       LYS  26  11.331   1.899  -5.971
  237   3HZ   LYS  26          3HZ       LYS  26  10.285   0.654  -6.463
  238    H    GLY  27           HN       GLY  27   8.088  -5.988  -5.085
  239   1HA   GLY  27          2HA       GLY  27   6.116  -6.948  -6.638
  240   2HA   GLY  27          1HA       GLY  27   7.305  -6.520  -7.867
  241    H    ARG  28           HN       ARG  28   9.472  -7.534  -7.660
  242    HA   ARG  28           HA       ARG  28   9.247 -10.295  -6.522
  243   1HB   ARG  28          2HB       ARG  28  10.823  -9.031  -8.778
  244   2HB   ARG  28          1HB       ARG  28  11.135 -10.672  -8.212
  245   1HG   ARG  28          2HG       ARG  28   8.899 -11.371  -8.768
  246   2HG   ARG  28          1HG       ARG  28   8.403  -9.712  -9.098
  247   1HD   ARG  28          2HD       ARG  28   8.877 -10.266 -11.273
  248   2HD   ARG  28          1HD       ARG  28  10.560  -9.984 -10.787
  249    HE   ARG  28           HE       ARG  28  10.846 -12.368 -10.504
  250   1HH1  ARG  28          1HH2      ARG  28   8.965 -11.885 -13.017
  251   2HH1  ARG  28          2HH2      ARG  28   7.917 -13.252 -12.834
  252   1HH2  ARG  28          1HH1      ARG  28   8.947 -13.940  -9.594
  253   2HH2  ARG  28          2HH1      ARG  28   7.908 -14.416 -10.895
  Start of MODEL   28
    1   1H    GLU   1          1HT       GLU   1 -18.483   7.440   0.231
    2   2H    GLU   1          2HT       GLU   1 -17.486   8.674  -0.377
    3   3H    GLU   1          3HT       GLU   1 -17.208   8.041   1.176
    4    HA   GLU   1           HA       GLU   1 -16.588   5.901   0.241
    5   1HB   GLU   1          2HB       GLU   1 -18.237   6.243  -1.647
    6   2HB   GLU   1          1HB       GLU   1 -17.056   7.313  -2.402
    7   1HG   GLU   1          2HG       GLU   1 -15.394   5.417  -2.299
    8   2HG   GLU   1          1HG       GLU   1 -16.711   4.372  -1.768
    9    H    GLN   2           HN       GLN   2 -14.361   5.572  -0.245
   10    HA   GLN   2           HA       GLN   2 -12.702   7.758  -1.298
   11   1HB   GLN   2          2HB       GLN   2 -13.370   7.941   1.318
   12   2HB   GLN   2          1HB       GLN   2 -11.951   6.902   1.454
   13   1HG   GLN   2          2HG       GLN   2 -10.510   8.582   0.889
   14   2HG   GLN   2          1HG       GLN   2 -11.577   9.181  -0.384
   15   1HE2  GLN   2          1HE2      GLN   2 -10.818   9.447   3.064
   16   2HE2  GLN   2          2HE2      GLN   2 -11.775  10.819   3.349
   17    H    TYR   3           HN       TYR   3 -10.321   6.852  -0.098
   18    HA   TYR   3           HA       TYR   3  -8.931   5.263  -1.619
   19   1HB   TYR   3          2HB       TYR   3  -9.172   5.555   1.290
   20   2HB   TYR   3          1HB       TYR   3  -8.317   4.092   0.801
   21    HD1  TYR   3           1HD      TYR   3  -8.259   7.721   0.909
   22    HD2  TYR   3           2HD      TYR   3  -6.340   4.221  -0.657
   23    HE1  TYR   3           1HE      TYR   3  -6.283   9.077   0.344
   24    HE2  TYR   3           2HE      TYR   3  -4.342   5.563  -1.227
   25    HH   TYR   3           HH       TYR   3  -4.274   8.707  -1.561
   26    H    THR   4           HN       THR   4  -8.728   3.290  -2.411
   27    HA   THR   4           HA       THR   4  -9.931   0.938  -1.147
   28    HB   THR   4           HB       THR   4 -10.718   1.460  -3.996
   29    HG1  THR   4           1HG      THR   4 -12.251   2.804  -3.428
   30   1HG2  THR   4          1HG2      THR   4 -11.399  -0.369  -1.784
   31   2HG2  THR   4          2HG2      THR   4 -11.534  -0.606  -3.529
   32   3HG2  THR   4          3HG2      THR   4 -12.797   0.262  -2.658
   33    H    ALA   5           HN       ALA   5  -7.241   2.092  -2.142
   34    HA   ALA   5           HA       ALA   5  -6.364   0.592  -4.412
   35   1HB   ALA   5          1HB       ALA   5  -5.379   2.575  -2.808
   36   2HB   ALA   5          2HB       ALA   5  -4.399   1.666  -3.962
   37   3HB   ALA   5          3HB       ALA   5  -4.424   1.188  -2.256
   38    H    LYS   6           HN       LYS   6  -5.938  -1.593  -4.506
   39    HA   LYS   6           HA       LYS   6  -5.333  -2.983  -1.917
   40   1HB   LYS   6          2HB       LYS   6  -6.396  -4.972  -2.940
   41   2HB   LYS   6          1HB       LYS   6  -7.517  -3.618  -2.817
   42   1HG   LYS   6          2HG       LYS   6  -7.889  -3.747  -5.027
   43   2HG   LYS   6          1HG       LYS   6  -6.198  -3.353  -5.320
   44   1HD   LYS   6          2HD       LYS   6  -5.561  -5.656  -5.353
   45   2HD   LYS   6          1HD       LYS   6  -7.115  -6.166  -4.691
   46   1HE   LYS   6          2HE       LYS   6  -8.264  -5.659  -6.727
   47   2HE   LYS   6          1HE       LYS   6  -6.878  -4.749  -7.363
   48   1HZ   LYS   6          1HZ       LYS   6  -7.054  -7.090  -8.191
   49   2HZ   LYS   6          2HZ       LYS   6  -6.740  -7.616  -6.606
   50   3HZ   LYS   6          3HZ       LYS   6  -5.576  -6.714  -7.446
   51    H    TYR   7           HN       TYR   7  -3.543  -4.294  -1.907
   52    HA   TYR   7           HA       TYR   7  -1.975  -4.483  -4.457
   53   1HB   TYR   7          2HB       TYR   7  -1.186  -3.777  -1.624
   54   2HB   TYR   7          1HB       TYR   7  -0.001  -4.264  -2.831
   55    HD1  TYR   7           1HD      TYR   7   0.843  -2.717  -4.327
   56    HD2  TYR   7           2HD      TYR   7  -2.827  -1.918  -2.274
   57    HE1  TYR   7           1HE      TYR   7   0.838  -0.431  -5.250
   58    HE2  TYR   7           2HE      TYR   7  -2.855   0.383  -3.180
   59    HH   TYR   7           HH       TYR   7  -1.397   1.373  -5.686
   60    H    LYS   8           HN       LYS   8  -1.699  -5.820  -1.146
   61    HA   LYS   8           HA       LYS   8  -1.377  -8.545  -2.354
   62   1HB   LYS   8          2HB       LYS   8  -0.030  -6.992  -0.305
   63   2HB   LYS   8          1HB       LYS   8  -0.640  -8.490   0.393
   64   1HG   LYS   8          2HG       LYS   8   0.925  -8.422  -2.195
   65   2HG   LYS   8          1HG       LYS   8   1.696  -8.617  -0.620
   66   1HD   LYS   8          2HD       LYS   8   0.578 -10.674  -0.206
   67   2HD   LYS   8          1HD       LYS   8  -0.573 -10.400  -1.515
   68   1HE   LYS   8          2HE       LYS   8   2.319 -10.454  -2.263
   69   2HE   LYS   8          1HE       LYS   8   1.556 -12.002  -1.845
   70   1HZ   LYS   8          1HZ       LYS   8   0.495 -10.007  -3.779
   71   2HZ   LYS   8          2HZ       LYS   8  -0.261 -11.469  -3.356
   72   3HZ   LYS   8          3HZ       LYS   8   1.219 -11.489  -4.186
   73    H    GLY   9           HN       GLY   9  -3.983  -7.719  -2.240
   74   1HA   GLY   9          2HA       GLY   9  -6.069  -8.490  -1.464
   75   2HA   GLY   9          1HA       GLY   9  -5.200  -9.612  -0.412
   76    H    ARG  10           HN       ARG  10  -4.634  -6.146  -0.431
   77    HA   ARG  10           HA       ARG  10  -6.121  -5.814   2.139
   78   1HB   ARG  10          2HB       ARG  10  -3.188  -5.170   1.646
   79   2HB   ARG  10          1HB       ARG  10  -4.069  -4.862   3.144
   80   1HG   ARG  10          2HG       ARG  10  -4.527  -7.315   3.334
   81   2HG   ARG  10          1HG       ARG  10  -3.517  -7.578   1.912
   82   1HD   ARG  10          2HD       ARG  10  -1.597  -6.515   3.108
   83   2HD   ARG  10          1HD       ARG  10  -2.618  -6.380   4.556
   84    HE   ARG  10           HE       ARG  10  -1.878  -8.977   3.264
   85   1HH1  ARG  10          1HH1      ARG  10  -0.529  -8.399   5.796
   86   2HH1  ARG  10          2HH1      ARG  10  -1.571  -9.116   6.979
   87   1HH2  ARG  10          1HH2      ARG  10  -4.290  -9.338   4.840
   88   2HH2  ARG  10          2HH2      ARG  10  -3.699  -9.647   6.438
   89    H    THR  11           HN       THR  11  -7.420  -4.018   1.681
   90    HA   THR  11           HA       THR  11  -6.767  -2.096  -0.359
   91    HB   THR  11           HB       THR  11  -8.694  -2.008   1.988
   92    HG1  THR  11           1HG      THR  11  -9.015  -2.610  -0.761
   93   1HG2  THR  11          1HG2      THR  11  -8.448   0.253   1.353
   94   2HG2  THR  11          2HG2      THR  11  -9.838  -0.293   0.415
   95   3HG2  THR  11          3HG2      THR  11  -8.253  -0.156  -0.351
   96    H    PHE  12           HN       PHE  12  -5.884   0.055  -0.059
   97    HA   PHE  12           HA       PHE  12  -4.419   0.411   2.524
   98   1HB   PHE  12          2HB       PHE  12  -3.919   1.189  -0.354
   99   2HB   PHE  12          1HB       PHE  12  -3.068   2.010   0.969
  100    HD1  PHE  12           1HD      PHE  12  -1.243   0.947   2.069
  101    HD2  PHE  12           2HD      PHE  12  -3.894  -1.288  -0.438
  102    HE1  PHE  12           1HE      PHE  12   0.268  -1.023   2.253
  103    HE2  PHE  12           2HE      PHE  12  -2.427  -3.295  -0.214
  104    HZ   PHE  12           HZ       PHE  12  -0.336  -3.149   1.120
  105    H    ARG  13           HN       ARG  13  -5.717   1.610   3.808
  106    HA   ARG  13           HA       ARG  13  -7.213   3.933   2.702
  107   1HB   ARG  13          2HB       ARG  13  -8.293   3.866   4.941
  108   2HB   ARG  13          1HB       ARG  13  -8.364   2.299   4.139
  109   1HG   ARG  13          2HG       ARG  13  -5.912   2.422   5.624
  110   2HG   ARG  13          1HG       ARG  13  -7.221   2.930   6.689
  111   1HD   ARG  13          2HD       ARG  13  -8.399   0.878   6.402
  112   2HD   ARG  13          1HD       ARG  13  -7.418   0.425   4.994
  113    HE   ARG  13           HE       ARG  13  -6.216   0.718   7.722
  114   1HH1  ARG  13          1HH1      ARG  13  -7.198  -2.016   7.036
  115   2HH1  ARG  13          2HH1      ARG  13  -5.791  -2.750   6.340
  116   1HH2  ARG  13          1HH2      ARG  13  -4.152   0.260   5.819
  117   2HH2  ARG  13          2HH2      ARG  13  -4.069  -1.462   5.650
  118    H    ASN  14           HN       ASN  14  -4.232   3.914   3.049
  119    HA   ASN  14           HA       ASN  14  -4.018   6.467   4.507
  120   1HB   ASN  14          2HB       ASN  14  -3.812   4.804   6.273
  121   2HB   ASN  14          1HB       ASN  14  -2.611   3.906   5.344
  122   1HD2  ASN  14          1HD2      ASN  14  -3.103   7.304   6.385
  123   2HD2  ASN  14          2HD2      ASN  14  -1.507   7.546   6.914
  124    H    GLU  15           HN       GLU  15  -2.771   7.703   3.220
  125    HA   GLU  15           HA       GLU  15  -1.319   6.783   0.947
  126   1HB   GLU  15          2HB       GLU  15  -2.237   9.128   1.805
  127   2HB   GLU  15          1HB       GLU  15  -0.581   9.303   2.388
  128   1HG   GLU  15          2HG       GLU  15  -0.028   8.416  -0.076
  129   2HG   GLU  15          1HG       GLU  15  -1.600   9.145  -0.414
  130    H    LYS  16           HN       LYS  16  -0.278   7.443   4.279
  131    HA   LYS  16           HA       LYS  16   2.519   7.302   3.936
  132   1HB   LYS  16          2HB       LYS  16   0.771   7.708   5.977
  133   2HB   LYS  16          1HB       LYS  16   1.348   6.088   6.365
  134   1HG   LYS  16          2HG       LYS  16   3.143   7.080   7.313
  135   2HG   LYS  16          1HG       LYS  16   3.677   7.469   5.679
  136   1HD   LYS  16          2HD       LYS  16   3.645   9.591   6.606
  137   2HD   LYS  16          1HD       LYS  16   1.998   9.506   5.980
  138   1HE   LYS  16          2HE       LYS  16   1.484  10.122   8.147
  139   2HE   LYS  16          1HE       LYS  16   1.624   8.374   8.425
  140   1HZ   LYS  16          1HZ       LYS  16   3.987   8.676   8.871
  141   2HZ   LYS  16          2HZ       LYS  16   3.050   9.587   9.953
  142   3HZ   LYS  16          3HZ       LYS  16   3.831  10.353   8.652
  143    H    GLU  17           HN       GLU  17   0.185   4.765   4.603
  144    HA   GLU  17           HA       GLU  17   1.973   2.551   4.832
  145   1HB   GLU  17          2HB       GLU  17  -0.917   2.955   4.084
  146   2HB   GLU  17          1HB       GLU  17  -0.209   1.342   4.005
  147   1HG   GLU  17          2HG       GLU  17  -0.131   3.124   6.455
  148   2HG   GLU  17          1HG       GLU  17  -1.293   1.821   6.204
  149    H    LEU  18           HN       LEU  18   0.047   3.604   2.009
  150    HA   LEU  18           HA       LEU  18   1.046   1.766   0.109
  151   1HB   LEU  18          2HB       LEU  18  -0.795   3.747   0.169
  152   2HB   LEU  18          1HB       LEU  18   0.477   4.579  -0.720
  153    HG   LEU  18           HG       LEU  18   0.523   2.784  -2.385
  154   1HD1  LEU  18          1HD1      LEU  18  -0.749   1.280  -0.351
  155   2HD1  LEU  18          2HD1      LEU  18  -0.322   0.716  -1.960
  156   3HD1  LEU  18          3HD1      LEU  18  -1.918   1.403  -1.651
  157   1HD2  LEU  18          1HD2      LEU  18  -2.079   4.122  -1.721
  158   2HD2  LEU  18          2HD2      LEU  18  -1.995   3.013  -3.091
  159   3HD2  LEU  18          3HD2      LEU  18  -0.968   4.446  -3.053
  160    H    ARG  19           HN       ARG  19   2.314   4.982   0.982
  161    HA   ARG  19           HA       ARG  19   4.437   5.044  -0.937
  162   1HB   ARG  19          2HB       ARG  19   4.066   6.269   1.814
  163   2HB   ARG  19          1HB       ARG  19   5.384   6.711   0.729
  164   1HG   ARG  19          2HG       ARG  19   3.956   7.707  -0.824
  165   2HG   ARG  19          1HG       ARG  19   2.559   6.776  -0.284
  166   1HD   ARG  19          2HD       ARG  19   2.121   8.903   0.629
  167   2HD   ARG  19          1HD       ARG  19   2.929   8.088   1.981
  168    HE   ARG  19           HE       ARG  19   4.513   9.692   0.023
  169   1HH1  ARG  19          1HH2      ARG  19   2.911  10.549   2.702
  170   2HH1  ARG  19          2HH2      ARG  19   4.285  10.865   3.709
  171   1HH2  ARG  19          1HH1      ARG  19   6.549   9.390   1.533
  172   2HH2  ARG  19          2HH1      ARG  19   6.346  10.208   3.047
  173    H    ASP  20           HN       ASP  20   4.053   3.234   2.017
  174    HA   ASP  20           HA       ASP  20   6.966   2.613   2.140
  175   1HB   ASP  20          2HB       ASP  20   4.610   2.584   3.960
  176   2HB   ASP  20          1HB       ASP  20   5.844   1.357   4.254
  177    H    PHE  21           HN       PHE  21   3.783   1.061   1.702
  178    HA   PHE  21           HA       PHE  21   4.617  -1.670   1.713
  179   1HB   PHE  21          2HB       PHE  21   2.291  -0.882   1.782
  180   2HB   PHE  21          1HB       PHE  21   2.403  -0.321   0.127
  181    HD1  PHE  21           1HD      PHE  21   2.367  -1.871  -1.739
  182    HD2  PHE  21           2HD      PHE  21   2.566  -3.261   2.312
  183    HE1  PHE  21           1HE      PHE  21   1.917  -4.186  -2.514
  184    HE2  PHE  21           2HE      PHE  21   2.101  -5.587   1.546
  185    HZ   PHE  21           HZ       PHE  21   1.782  -6.044  -0.873
  186    H    ILE  22           HN       ILE  22   3.667   0.046  -1.264
  187    HA   ILE  22           HA       ILE  22   4.829  -1.641  -3.153
  188    HB   ILE  22           HB       ILE  22   4.440   1.369  -3.151
  189   1HG1  ILE  22          2HG1      ILE  22   2.550   0.151  -4.765
  190   2HG1  ILE  22          1HG1      ILE  22   2.724  -1.001  -3.446
  191   1HG2  ILE  22          1HG2      ILE  22   4.491   1.200  -5.598
  192   2HG2  ILE  22          2HG2      ILE  22   4.797  -0.533  -5.486
  193   3HG2  ILE  22          3HG2      ILE  22   6.018   0.614  -4.936
  194   1HD1  ILE  22          1HD1      ILE  22   1.811   0.407  -1.916
  195   2HD1  ILE  22          2HD1      ILE  22   1.074   1.132  -3.344
  196   3HD1  ILE  22          3HD1      ILE  22   2.534   1.840  -2.653
  197    H    GLU  23           HN       GLU  23   6.350   0.927  -1.276
  198    HA   GLU  23           HA       GLU  23   8.854   1.041  -2.709
  199   1HB   GLU  23          2HB       GLU  23   7.650   1.996  -0.193
  200   2HB   GLU  23          1HB       GLU  23   9.394   1.755  -0.095
  201   1HG   GLU  23          2HG       GLU  23   8.965   3.024  -2.578
  202   2HG   GLU  23          1HG       GLU  23   7.911   3.860  -1.440
  203    H    LYS  24           HN       LYS  24   7.581  -1.111  -0.245
  204    HA   LYS  24           HA       LYS  24  10.246  -2.388   0.123
  205   1HB   LYS  24          2HB       LYS  24   7.623  -2.266   1.559
  206   2HB   LYS  24          1HB       LYS  24   8.639  -3.686   1.813
  207   1HG   LYS  24          2HG       LYS  24  10.554  -2.114   2.320
  208   2HG   LYS  24          1HG       LYS  24   9.387  -0.790   2.292
  209   1HD   LYS  24          2HD       LYS  24   8.055  -2.051   4.035
  210   2HD   LYS  24          1HD       LYS  24   9.410  -3.173   4.161
  211   1HE   LYS  24          2HE       LYS  24  10.488  -0.525   4.328
  212   2HE   LYS  24          1HE       LYS  24   9.116  -0.628   5.450
  213   1HZ   LYS  24          1HZ       LYS  24   9.996  -2.594   6.412
  214   2HZ   LYS  24          2HZ       LYS  24  11.270  -1.470   6.365
  215   3HZ   LYS  24          3HZ       LYS  24  11.202  -2.728   5.225
  216    H    PHE  25           HN       PHE  25   6.919  -3.121  -0.938
  217    HA   PHE  25           HA       PHE  25   7.688  -5.836  -1.726
  218   1HB   PHE  25          2HB       PHE  25   5.552  -5.313  -0.568
  219   2HB   PHE  25          1HB       PHE  25   5.076  -4.319  -1.946
  220    HD1  PHE  25           1HD      PHE  25   3.388  -5.402  -3.110
  221    HD2  PHE  25           2HD      PHE  25   6.757  -7.672  -1.726
  222    HE1  PHE  25           1HE      PHE  25   2.512  -7.409  -4.275
  223    HE2  PHE  25           2HE      PHE  25   5.883  -9.682  -2.889
  224    HZ   PHE  25           HZ       PHE  25   3.760  -9.550  -4.164
  225    H    LYS  26           HN       LYS  26   9.121  -3.962  -3.212
  226    HA   LYS  26           HA       LYS  26   7.947  -3.057  -5.637
  227   1HB   LYS  26          2HB       LYS  26  10.659  -3.699  -4.595
  228   2HB   LYS  26          1HB       LYS  26  10.500  -3.502  -6.341
  229   1HG   LYS  26          2HG       LYS  26   9.377  -1.481  -4.397
  230   2HG   LYS  26          1HG       LYS  26  11.033  -1.380  -4.997
  231   1HD   LYS  26          2HD       LYS  26   8.752  -1.698  -6.929
  232   2HD   LYS  26          1HD       LYS  26   9.142  -0.106  -6.280
  233   1HE   LYS  26          2HE       LYS  26  11.463  -0.325  -7.093
  234   2HE   LYS  26          1HE       LYS  26  11.084  -1.934  -7.742
  235   1HZ   LYS  26          1HZ       LYS  26  10.815  -0.200  -9.431
  236   2HZ   LYS  26          2HZ       LYS  26   9.666   0.580  -8.453
  237   3HZ   LYS  26          3HZ       LYS  26   9.336  -0.960  -9.081
  238    H    GLY  27           HN       GLY  27   8.803  -6.252  -4.645
  239   1HA   GLY  27          2HA       GLY  27   9.370  -7.559  -7.068
  240   2HA   GLY  27          1HA       GLY  27   8.545  -8.327  -5.713
  241    H    ARG  28           HN       ARG  28   6.328  -6.269  -5.924
  242    HA   ARG  28           HA       ARG  28   5.094  -6.825  -8.545
  243   1HB   ARG  28          2HB       ARG  28   4.874  -8.714  -6.582
  244   2HB   ARG  28          1HB       ARG  28   3.454  -7.724  -6.246
  245   1HG   ARG  28          2HG       ARG  28   4.144  -8.848  -8.976
  246   2HG   ARG  28          1HG       ARG  28   2.990  -9.580  -7.860
  247   1HD   ARG  28          2HD       ARG  28   1.886  -7.192  -7.852
  248   2HD   ARG  28          1HD       ARG  28   2.759  -6.998  -9.385
  249    HE   ARG  28           HE       ARG  28   1.674  -9.320  -9.939
  250   1HH1  ARG  28          1HH2      ARG  28   0.167  -8.503  -7.204
  251   2HH1  ARG  28          2HH2      ARG  28  -1.405  -8.214  -7.873
  252   1HH2  ARG  28          1HH1      ARG  28  -0.300  -8.231 -11.159
  253   2HH2  ARG  28          2HH1      ARG  28  -1.669  -8.060 -10.112
  Start of MODEL   29
    1   1H    GLU   1          1HT       GLU   1 -17.270   8.372   0.010
    2   2H    GLU   1          2HT       GLU   1 -17.235   8.077   1.683
    3   3H    GLU   1          3HT       GLU   1 -18.365   7.275   0.700
    4    HA   GLU   1           HA       GLU   1 -16.411   5.881   1.385
    5   1HB   GLU   1          2HB       GLU   1 -16.253   4.981  -0.934
    6   2HB   GLU   1          1HB       GLU   1 -17.911   5.387  -0.500
    7   1HG   GLU   1          2HG       GLU   1 -17.874   7.384  -1.794
    8   2HG   GLU   1          1HG       GLU   1 -16.117   7.342  -1.950
    9    H    GLN   2           HN       GLN   2 -14.152   5.478   1.019
   10    HA   GLN   2           HA       GLN   2 -12.598   7.682  -0.274
   11   1HB   GLN   2          2HB       GLN   2 -12.978   7.551   2.407
   12   2HB   GLN   2          1HB       GLN   2 -11.556   6.518   2.257
   13   1HG   GLN   2          2HG       GLN   2 -10.184   8.261   1.645
   14   2HG   GLN   2          1HG       GLN   2 -11.456   9.051   0.710
   15   1HE2  GLN   2          1HE2      GLN   2 -12.576  10.768   1.711
   16   2HE2  GLN   2          2HE2      GLN   2 -12.382  11.206   3.339
   17    H    TYR   3           HN       TYR   3 -10.119   6.653   0.524
   18    HA   TYR   3           HA       TYR   3  -8.984   5.207  -1.352
   19   1HB   TYR   3          2HB       TYR   3  -8.750   5.323   1.573
   20   2HB   TYR   3          1HB       TYR   3  -7.970   3.910   0.860
   21    HD1  TYR   3           1HD      TYR   3  -8.000   7.548   1.090
   22    HD2  TYR   3           2HD      TYR   3  -6.191   4.140  -0.779
   23    HE1  TYR   3           1HE      TYR   3  -6.151   8.979   0.318
   24    HE2  TYR   3           2HE      TYR   3  -4.316   5.558  -1.563
   25    HH   TYR   3           HH       TYR   3  -3.242   7.798  -0.767
   26    H    THR   4           HN       THR   4  -8.701   3.206  -2.130
   27    HA   THR   4           HA       THR   4  -9.833   0.834  -0.842
   28    HB   THR   4           HB       THR   4 -10.741   1.386  -3.650
   29    HG1  THR   4           1HG      THR   4 -12.058   2.229  -1.284
   30   1HG2  THR   4          1HG2      THR   4 -11.320  -0.479  -1.425
   31   2HG2  THR   4          2HG2      THR   4 -11.467  -0.718  -3.169
   32   3HG2  THR   4          3HG2      THR   4 -12.743   0.118  -2.285
   33    H    ALA   5           HN       ALA   5  -7.200   2.046  -1.991
   34    HA   ALA   5           HA       ALA   5  -6.398   0.526  -4.271
   35   1HB   ALA   5          1HB       ALA   5  -5.362   2.545  -2.782
   36   2HB   ALA   5          2HB       ALA   5  -4.397   1.569  -3.892
   37   3HB   ALA   5          3HB       ALA   5  -4.410   1.182  -2.165
   38    H    LYS   6           HN       LYS   6  -6.179  -1.682  -4.300
   39    HA   LYS   6           HA       LYS   6  -5.545  -3.048  -1.716
   40   1HB   LYS   6          2HB       LYS   6  -6.530  -5.043  -2.856
   41   2HB   LYS   6          1HB       LYS   6  -7.663  -3.705  -2.675
   42   1HG   LYS   6          2HG       LYS   6  -7.862  -3.421  -4.916
   43   2HG   LYS   6          1HG       LYS   6  -6.127  -3.580  -5.178
   44   1HD   LYS   6          2HD       LYS   6  -7.210  -5.435  -6.288
   45   2HD   LYS   6          1HD       LYS   6  -6.386  -6.070  -4.863
   46   1HE   LYS   6          2HE       LYS   6  -8.431  -7.043  -4.458
   47   2HE   LYS   6          1HE       LYS   6  -8.835  -5.442  -3.805
   48   1HZ   LYS   6          1HZ       LYS   6 -10.391  -6.246  -5.563
   49   2HZ   LYS   6          2HZ       LYS   6  -9.105  -6.167  -6.671
   50   3HZ   LYS   6          3HZ       LYS   6  -9.663  -4.754  -5.910
   51    H    TYR   7           HN       TYR   7  -3.784  -4.340  -1.560
   52    HA   TYR   7           HA       TYR   7  -2.128  -4.823  -4.010
   53   1HB   TYR   7          2HB       TYR   7  -1.292  -3.809  -1.282
   54   2HB   TYR   7          1HB       TYR   7  -0.160  -4.410  -2.476
   55    HD1  TYR   7           1HD      TYR   7   0.616  -3.058  -4.166
   56    HD2  TYR   7           2HD      TYR   7  -2.893  -1.954  -1.985
   57    HE1  TYR   7           1HE      TYR   7   0.637  -0.855  -5.278
   58    HE2  TYR   7           2HE      TYR   7  -2.904   0.262  -3.077
   59    HH   TYR   7           HH       TYR   7  -0.739   1.723  -4.294
   60    H    LYS   8           HN       LYS   8  -2.025  -7.020  -4.226
   61    HA   LYS   8           HA       LYS   8  -1.899  -9.314  -3.681
   62   1HB   LYS   8          2HB       LYS   8   0.137  -8.131  -2.507
   63   2HB   LYS   8          1HB       LYS   8  -0.756  -8.477  -1.026
   64   1HG   LYS   8          2HG       LYS   8   0.528 -10.410  -1.239
   65   2HG   LYS   8          1HG       LYS   8  -0.957 -10.892  -2.058
   66   1HD   LYS   8          2HD       LYS   8   0.035 -10.278  -4.231
   67   2HD   LYS   8          1HD       LYS   8   1.523  -9.795  -3.415
   68   1HE   LYS   8          2HE       LYS   8   1.761 -12.128  -2.539
   69   2HE   LYS   8          1HE       LYS   8   0.335 -12.593  -3.489
   70   1HZ   LYS   8          1HZ       LYS   8   1.400 -11.904  -5.487
   71   2HZ   LYS   8          2HZ       LYS   8   2.490 -12.921  -4.672
   72   3HZ   LYS   8          3HZ       LYS   8   2.714 -11.240  -4.641
   73    H    GLY   9           HN       GLY   9  -4.224  -7.524  -2.602
   74   1HA   GLY   9          2HA       GLY   9  -6.282  -8.424  -1.711
   75   2HA   GLY   9          1HA       GLY   9  -5.346  -9.642  -0.849
   76    H    ARG  10           HN       ARG  10  -4.690  -6.147  -0.848
   77    HA   ARG  10           HA       ARG  10  -5.730  -5.919   1.937
   78   1HB   ARG  10          2HB       ARG  10  -2.867  -5.355   1.084
   79   2HB   ARG  10          1HB       ARG  10  -3.525  -5.092   2.698
   80   1HG   ARG  10          2HG       ARG  10  -4.078  -7.549   2.792
   81   2HG   ARG  10          1HG       ARG  10  -3.208  -7.746   1.271
   82   1HD   ARG  10          2HD       ARG  10  -1.510  -8.200   2.812
   83   2HD   ARG  10          1HD       ARG  10  -1.289  -6.455   2.589
   84    HE   ARG  10           HE       ARG  10  -3.193  -7.267   4.685
   85   1HH1  ARG  10          1HH2      ARG  10  -0.051  -7.829   4.888
   86   2HH1  ARG  10          2HH2      ARG  10   0.368  -6.547   5.974
   87   1HH2  ARG  10          1HH1      ARG  10  -2.664  -4.901   5.622
   88   2HH2  ARG  10          2HH1      ARG  10  -1.112  -4.889   6.390
   89    H    THR  11           HN       THR  11  -7.076  -4.118   1.652
   90    HA   THR  11           HA       THR  11  -6.598  -2.084  -0.315
   91    HB   THR  11           HB       THR  11  -8.347  -2.139   2.157
   92    HG1  THR  11           1HG      THR  11  -8.797  -2.674  -0.584
   93   1HG2  THR  11          1HG2      THR  11  -8.224   0.152   1.635
   94   2HG2  THR  11          2HG2      THR  11  -9.630  -0.387   0.715
   95   3HG2  THR  11          3HG2      THR  11  -8.080  -0.155  -0.096
   96    H    PHE  12           HN       PHE  12  -6.135   0.256   0.205
   97    HA   PHE  12           HA       PHE  12  -4.421   0.570   2.648
   98   1HB   PHE  12          2HB       PHE  12  -3.938   1.261  -0.255
   99   2HB   PHE  12          1HB       PHE  12  -3.131   2.184   1.030
  100    HD1  PHE  12           1HD      PHE  12  -1.260   1.249   2.204
  101    HD2  PHE  12           2HD      PHE  12  -3.780  -1.195  -0.243
  102    HE1  PHE  12           1HE      PHE  12   0.336  -0.645   2.468
  103    HE2  PHE  12           2HE      PHE  12  -2.232  -3.106   0.063
  104    HZ   PHE  12           HZ       PHE  12  -0.161  -2.830   1.402
  105    H    ARG  13           HN       ARG  13  -5.618   1.900   3.945
  106    HA   ARG  13           HA       ARG  13  -7.117   4.169   2.709
  107   1HB   ARG  13          2HB       ARG  13  -8.249   4.209   4.929
  108   2HB   ARG  13          1HB       ARG  13  -8.349   2.624   4.167
  109   1HG   ARG  13          2HG       ARG  13  -6.802   1.672   5.639
  110   2HG   ARG  13          1HG       ARG  13  -6.080   3.228   6.047
  111   1HD   ARG  13          2HD       ARG  13  -8.527   3.732   6.977
  112   2HD   ARG  13          1HD       ARG  13  -8.571   1.966   7.120
  113    HE   ARG  13           HE       ARG  13  -6.149   3.305   8.136
  114   1HH1  ARG  13          1HH1      ARG  13  -7.343   0.513   8.792
  115   2HH1  ARG  13          2HH1      ARG  13  -7.846   0.775  10.428
  116   1HH2  ARG  13          1HH2      ARG  13  -7.600   4.228  10.230
  117   2HH2  ARG  13          2HH2      ARG  13  -7.993   2.879  11.242
  118    H    ASN  14           HN       ASN  14  -4.232   4.279   2.925
  119    HA   ASN  14           HA       ASN  14  -3.957   6.818   4.360
  120   1HB   ASN  14          2HB       ASN  14  -3.666   4.532   5.840
  121   2HB   ASN  14          1HB       ASN  14  -2.008   4.791   5.297
  122   1HD2  ASN  14          1HD2      ASN  14  -0.945   6.825   5.937
  123   2HD2  ASN  14          2HD2      ASN  14  -1.547   7.749   7.227
  124    H    GLU  15           HN       GLU  15  -2.707   7.970   2.959
  125    HA   GLU  15           HA       GLU  15  -1.244   6.891   0.770
  126   1HB   GLU  15          2HB       GLU  15  -2.107   9.321   1.529
  127   2HB   GLU  15          1HB       GLU  15  -0.416   9.478   2.008
  128   1HG   GLU  15          2HG       GLU  15   0.127   8.560  -0.353
  129   2HG   GLU  15          1HG       GLU  15  -1.548   8.958  -0.738
  130    H    LYS  16           HN       LYS  16  -0.220   7.675   4.073
  131    HA   LYS  16           HA       LYS  16   2.583   7.494   3.736
  132   1HB   LYS  16          2HB       LYS  16   1.176   8.292   5.723
  133   2HB   LYS  16          1HB       LYS  16   1.028   6.587   6.154
  134   1HG   LYS  16          2HG       LYS  16   3.259   6.393   6.719
  135   2HG   LYS  16          1HG       LYS  16   3.764   7.647   5.585
  136   1HD   LYS  16          2HD       LYS  16   2.776   9.371   7.043
  137   2HD   LYS  16          1HD       LYS  16   2.262   8.122   8.177
  138   1HE   LYS  16          2HE       LYS  16   4.893   7.493   7.986
  139   2HE   LYS  16          1HE       LYS  16   4.976   9.246   7.717
  140   1HZ   LYS  16          1HZ       LYS  16   4.973   8.546  10.113
  141   2HZ   LYS  16          2HZ       LYS  16   3.375   8.013   9.890
  142   3HZ   LYS  16          3HZ       LYS  16   3.756   9.654   9.688
  143    H    GLU  17           HN       GLU  17   0.192   5.028   4.453
  144    HA   GLU  17           HA       GLU  17   1.992   2.817   4.820
  145   1HB   GLU  17          2HB       GLU  17  -0.914   3.214   4.156
  146   2HB   GLU  17          1HB       GLU  17  -0.230   1.589   4.088
  147   1HG   GLU  17          2HG       GLU  17   0.011   3.421   6.489
  148   2HG   GLU  17          1HG       GLU  17  -1.223   2.172   6.322
  149    H    LEU  18           HN       LEU  18  -0.024   3.677   1.989
  150    HA   LEU  18           HA       LEU  18   0.939   1.757   0.163
  151   1HB   LEU  18          2HB       LEU  18  -0.914   3.691   0.134
  152   2HB   LEU  18          1HB       LEU  18   0.347   4.553  -0.742
  153    HG   LEU  18           HG       LEU  18   0.485   2.707  -2.368
  154   1HD1  LEU  18          1HD1      LEU  18  -0.829   1.240  -0.359
  155   2HD1  LEU  18          2HD1      LEU  18  -0.415   0.657  -1.958
  156   3HD1  LEU  18          3HD1      LEU  18  -1.998   1.367  -1.655
  157   1HD2  LEU  18          1HD2      LEU  18  -2.123   4.085  -1.833
  158   2HD2  LEU  18          2HD2      LEU  18  -2.018   2.927  -3.159
  159   3HD2  LEU  18          3HD2      LEU  18  -0.973   4.347  -3.144
  160    H    ARG  19           HN       ARG  19   2.321   4.907   1.030
  161    HA   ARG  19           HA       ARG  19   4.375   4.936  -0.998
  162   1HB   ARG  19          2HB       ARG  19   4.059   6.236   1.724
  163   2HB   ARG  19          1HB       ARG  19   5.373   6.630   0.616
  164   1HG   ARG  19          2HG       ARG  19   2.763   6.688  -0.709
  165   2HG   ARG  19          1HG       ARG  19   2.845   7.812   0.646
  166   1HD   ARG  19          2HD       ARG  19   5.027   7.672  -1.454
  167   2HD   ARG  19          1HD       ARG  19   3.629   8.757  -1.597
  168    HE   ARG  19           HE       ARG  19   5.438   8.796   0.791
  169   1HH1  ARG  19          1HH1      ARG  19   5.577  10.590  -1.813
  170   2HH1  ARG  19          2HH1      ARG  19   4.939  12.063  -1.164
  171   1HH2  ARG  19          1HH2      ARG  19   3.722  10.574   1.722
  172   2HH2  ARG  19          2HH2      ARG  19   3.890  12.054   0.839
  173    H    ASP  20           HN       ASP  20   4.048   3.271   2.058
  174    HA   ASP  20           HA       ASP  20   6.951   2.611   2.128
  175   1HB   ASP  20          2HB       ASP  20   4.680   2.805   4.003
  176   2HB   ASP  20          1HB       ASP  20   5.734   1.422   4.294
  177    H    PHE  21           HN       PHE  21   3.803   1.187   1.450
  178    HA   PHE  21           HA       PHE  21   4.617  -1.589   1.694
  179   1HB   PHE  21          2HB       PHE  21   2.292  -0.803   1.810
  180   2HB   PHE  21          1HB       PHE  21   2.347  -0.307   0.132
  181    HD1  PHE  21           1HD      PHE  21   2.226  -1.928  -1.664
  182    HD2  PHE  21           2HD      PHE  21   2.644  -3.164   2.419
  183    HE1  PHE  21           1HE      PHE  21   1.802  -4.279  -2.336
  184    HE2  PHE  21           2HE      PHE  21   2.193  -5.522   1.759
  185    HZ   PHE  21           HZ       PHE  21   1.780  -6.076  -0.625
  186    H    ILE  22           HN       ILE  22   3.547  -0.033  -1.328
  187    HA   ILE  22           HA       ILE  22   4.704  -1.779  -3.167
  188    HB   ILE  22           HB       ILE  22   4.269   1.222  -3.312
  189   1HG1  ILE  22          2HG1      ILE  22   2.333  -0.103  -4.788
  190   2HG1  ILE  22          1HG1      ILE  22   2.563  -1.172  -3.411
  191   1HG2  ILE  22          1HG2      ILE  22   4.144   0.803  -5.779
  192   2HG2  ILE  22          2HG2      ILE  22   4.696  -0.846  -5.490
  193   3HG2  ILE  22          3HG2      ILE  22   5.756   0.516  -5.124
  194   1HD1  ILE  22          1HD1      ILE  22   1.658   0.303  -1.951
  195   2HD1  ILE  22          2HD1      ILE  22   0.923   0.993  -3.397
  196   3HD1  ILE  22          3HD1      ILE  22   2.402   1.694  -2.744
  197    H    GLU  23           HN       GLU  23   6.206   0.885  -1.422
  198    HA   GLU  23           HA       GLU  23   8.700   0.924  -2.919
  199   1HB   GLU  23          2HB       GLU  23   7.684   2.743  -1.450
  200   2HB   GLU  23          1HB       GLU  23   8.178   1.782  -0.055
  201   1HG   GLU  23          2HG       GLU  23  10.200   2.425  -2.180
  202   2HG   GLU  23          1HG       GLU  23   9.782   3.655  -0.986
  203    H    LYS  24           HN       LYS  24   7.491  -0.820  -0.096
  204    HA   LYS  24           HA       LYS  24  10.118  -2.040   0.481
  205   1HB   LYS  24          2HB       LYS  24   8.397  -1.336   2.200
  206   2HB   LYS  24          1HB       LYS  24   7.361  -2.634   1.604
  207   1HG   LYS  24          2HG       LYS  24   8.504  -3.607   3.434
  208   2HG   LYS  24          1HG       LYS  24   9.387  -4.183   2.019
  209   1HD   LYS  24          2HD       LYS  24  11.195  -3.417   3.199
  210   2HD   LYS  24          1HD       LYS  24  10.727  -1.879   2.474
  211   1HE   LYS  24          2HE       LYS  24   9.817  -1.066   4.454
  212   2HE   LYS  24          1HE       LYS  24   9.433  -2.690   5.061
  213   1HZ   LYS  24          1HZ       LYS  24  11.341  -1.954   6.239
  214   2HZ   LYS  24          2HZ       LYS  24  12.116  -1.444   4.816
  215   3HZ   LYS  24          3HZ       LYS  24  11.886  -3.099   5.108
  216    H    PHE  25           HN       PHE  25   6.871  -3.159  -0.545
  217    HA   PHE  25           HA       PHE  25   7.898  -5.793  -1.259
  218   1HB   PHE  25          2HB       PHE  25   5.687  -5.381  -0.187
  219   2HB   PHE  25          1HB       PHE  25   5.181  -4.508  -1.634
  220    HD1  PHE  25           1HD      PHE  25   3.729  -5.753  -2.934
  221    HD2  PHE  25           2HD      PHE  25   7.028  -7.721  -1.019
  222    HE1  PHE  25           1HE      PHE  25   3.074  -7.892  -4.008
  223    HE2  PHE  25           2HE      PHE  25   6.376  -9.863  -2.090
  224    HZ   PHE  25           HZ       PHE  25   4.398  -9.947  -3.586
  225    H    LYS  26           HN       LYS  26   9.310  -4.070  -2.812
  226    HA   LYS  26           HA       LYS  26   8.188  -3.194  -5.265
  227   1HB   LYS  26          2HB       LYS  26  10.931  -4.102  -4.394
  228   2HB   LYS  26          1HB       LYS  26  10.637  -3.492  -6.023
  229   1HG   LYS  26          2HG       LYS  26   9.449  -1.518  -4.681
  230   2HG   LYS  26          1HG       LYS  26  10.561  -2.039  -3.412
  231   1HD   LYS  26          2HD       LYS  26  12.311  -2.003  -5.415
  232   2HD   LYS  26          1HD       LYS  26  11.163  -0.845  -6.088
  233   1HE   LYS  26          2HE       LYS  26  11.289   0.216  -3.658
  234   2HE   LYS  26          1HE       LYS  26  12.860  -0.610  -3.626
  235   1HZ   LYS  26          1HZ       LYS  26  13.341   0.369  -5.811
  236   2HZ   LYS  26          2HZ       LYS  26  13.120   1.560  -4.619
  237   3HZ   LYS  26          3HZ       LYS  26  11.885   1.241  -5.737
  238    H    GLY  27           HN       GLY  27   8.938  -6.395  -4.190
  239   1HA   GLY  27          2HA       GLY  27   7.943  -8.310  -5.366
  240   2HA   GLY  27          1HA       GLY  27   8.192  -7.444  -6.882
  241    H    ARG  28           HN       ARG  28  10.828  -6.613  -6.614
  242    HA   ARG  28           HA       ARG  28  12.419  -9.085  -6.092
  243   1HB   ARG  28          2HB       ARG  28  11.471  -8.525  -8.560
  244   2HB   ARG  28          1HB       ARG  28  12.957  -7.576  -8.601
  245   1HG   ARG  28          2HG       ARG  28  13.642  -9.690  -9.384
  246   2HG   ARG  28          1HG       ARG  28  14.097  -9.718  -7.680
  247   1HD   ARG  28          2HD       ARG  28  12.206 -11.062  -7.091
  248   2HD   ARG  28          1HD       ARG  28  11.435 -10.786  -8.666
  249    HE   ARG  28           HE       ARG  28  13.749 -11.900  -9.475
  250   1HH1  ARG  28          1HH1      ARG  28  10.978 -13.162  -8.249
  251   2HH1  ARG  28          2HH1      ARG  28  11.660 -14.641  -7.661
  252   1HH2  ARG  28          1HH2      ARG  28  14.942 -13.620  -8.118
  253   2HH2  ARG  28          2HH2      ARG  28  13.904 -14.902  -7.587
  Start of MODEL   30
    1   1H    GLU   1          1HT       GLU   1 -15.038   2.815   1.867
    2   2H    GLU   1          2HT       GLU   1 -15.676   2.938   0.296
    3   3H    GLU   1          3HT       GLU   1 -16.716   2.882   1.638
    4    HA   GLU   1           HA       GLU   1 -16.447   5.158   0.694
    5   1HB   GLU   1          2HB       GLU   1 -17.147   4.600   3.014
    6   2HB   GLU   1          1HB       GLU   1 -15.454   4.596   3.509
    7   1HG   GLU   1          2HG       GLU   1 -15.418   7.005   2.479
    8   2HG   GLU   1          1HG       GLU   1 -17.171   6.916   2.667
    9    H    GLN   2           HN       GLN   2 -14.956   6.450  -0.306
   10    HA   GLN   2           HA       GLN   2 -12.869   7.336  -0.980
   11   1HB   GLN   2          2HB       GLN   2 -13.244   7.756   1.667
   12   2HB   GLN   2          1HB       GLN   2 -11.763   6.802   1.736
   13   1HG   GLN   2          2HG       GLN   2 -10.589   8.665   1.212
   14   2HG   GLN   2          1HG       GLN   2 -11.375   8.663  -0.366
   15   1HE2  GLN   2          1HE2      GLN   2 -12.773   9.319   2.892
   16   2HE2  GLN   2          2HE2      GLN   2 -13.338  10.870   2.500
   17    H    TYR   3           HN       TYR   3 -10.314   6.707  -0.035
   18    HA   TYR   3           HA       TYR   3  -8.918   5.122  -1.483
   19   1HB   TYR   3          2HB       TYR   3  -9.037   5.490   1.421
   20   2HB   TYR   3          1HB       TYR   3  -8.140   4.048   0.942
   21    HD1  TYR   3           1HD      TYR   3  -8.251   7.682   0.901
   22    HD2  TYR   3           2HD      TYR   3  -6.226   4.206  -0.589
   23    HE1  TYR   3           1HE      TYR   3  -6.369   9.104   0.193
   24    HE2  TYR   3           2HE      TYR   3  -4.319   5.619  -1.303
   25    HH   TYR   3           HH       TYR   3  -4.026   8.129  -1.944
   26    H    THR   4           HN       THR   4  -8.670   3.155  -2.272
   27    HA   THR   4           HA       THR   4  -9.704   0.774  -0.895
   28    HB   THR   4           HB       THR   4 -10.579   1.252  -3.735
   29    HG1  THR   4           1HG      THR   4 -11.897   2.719  -3.063
   30   1HG2  THR   4          1HG2      THR   4 -11.107  -0.650  -1.528
   31   2HG2  THR   4          2HG2      THR   4 -11.192  -0.894  -3.274
   32   3HG2  THR   4          3HG2      THR   4 -12.535  -0.129  -2.425
   33    H    ALA   5           HN       ALA   5  -7.096   2.055  -2.054
   34    HA   ALA   5           HA       ALA   5  -6.193   0.531  -4.277
   35   1HB   ALA   5          1HB       ALA   5  -5.231   2.555  -2.758
   36   2HB   ALA   5          2HB       ALA   5  -4.223   1.595  -3.843
   37   3HB   ALA   5          3HB       ALA   5  -4.275   1.206  -2.119
   38    H    LYS   6           HN       LYS   6  -6.109  -1.667  -4.291
   39    HA   LYS   6           HA       LYS   6  -5.449  -3.087  -1.749
   40   1HB   LYS   6          2HB       LYS   6  -6.449  -5.052  -2.933
   41   2HB   LYS   6          1HB       LYS   6  -7.566  -3.704  -2.728
   42   1HG   LYS   6          2HG       LYS   6  -7.584  -3.194  -4.981
   43   2HG   LYS   6          1HG       LYS   6  -5.945  -3.794  -5.238
   44   1HD   LYS   6          2HD       LYS   6  -7.143  -6.107  -4.550
   45   2HD   LYS   6          1HD       LYS   6  -8.528  -5.271  -5.256
   46   1HE   LYS   6          2HE       LYS   6  -5.860  -5.421  -6.684
   47   2HE   LYS   6          1HE       LYS   6  -7.121  -6.651  -6.897
   48   1HZ   LYS   6          1HZ       LYS   6  -8.695  -4.830  -7.374
   49   2HZ   LYS   6          2HZ       LYS   6  -7.449  -4.928  -8.521
   50   3HZ   LYS   6          3HZ       LYS   6  -7.407  -3.724  -7.322
   51    H    TYR   7           HN       TYR   7  -3.732  -4.435  -1.606
   52    HA   TYR   7           HA       TYR   7  -2.009  -4.837  -4.025
   53   1HB   TYR   7          2HB       TYR   7  -1.293  -3.899  -1.241
   54   2HB   TYR   7          1HB       TYR   7  -0.095  -4.474  -2.385
   55    HD1  TYR   7           1HD      TYR   7   0.712  -3.118  -4.077
   56    HD2  TYR   7           2HD      TYR   7  -2.816  -2.001  -1.930
   57    HE1  TYR   7           1HE      TYR   7   0.773  -0.902  -5.163
   58    HE2  TYR   7           2HE      TYR   7  -2.792   0.226  -2.995
   59    HH   TYR   7           HH       TYR   7  -0.577   1.672  -4.181
   60    H    LYS   8           HN       LYS   8  -1.990  -7.029  -4.318
   61    HA   LYS   8           HA       LYS   8  -1.928  -9.344  -3.852
   62   1HB   LYS   8          2HB       LYS   8  -0.260  -7.962  -1.795
   63   2HB   LYS   8          1HB       LYS   8  -0.617  -9.668  -1.526
   64   1HG   LYS   8          2HG       LYS   8   0.479  -8.601  -4.139
   65   2HG   LYS   8          1HG       LYS   8   1.504  -9.219  -2.843
   66   1HD   LYS   8          2HD       LYS   8  -0.769 -10.949  -3.674
   67   2HD   LYS   8          1HD       LYS   8   0.563 -10.794  -4.819
   68   1HE   LYS   8          2HE       LYS   8   2.167 -11.514  -3.117
   69   2HE   LYS   8          1HE       LYS   8   0.876 -11.578  -1.899
   70   1HZ   LYS   8          1HZ       LYS   8  -0.281 -13.210  -3.185
   71   2HZ   LYS   8          2HZ       LYS   8   1.311 -13.755  -2.969
   72   3HZ   LYS   8          3HZ       LYS   8   0.837 -13.086  -4.458
   73    H    GLY   9           HN       GLY   9  -4.167  -7.564  -2.657
   74   1HA   GLY   9          2HA       GLY   9  -6.200  -8.448  -1.688
   75   2HA   GLY   9          1HA       GLY   9  -5.240  -9.668  -0.854
   76    H    ARG  10           HN       ARG  10  -4.572  -6.174  -0.923
   77    HA   ARG  10           HA       ARG  10  -5.465  -5.917   1.912
   78   1HB   ARG  10          2HB       ARG  10  -2.654  -5.353   0.898
   79   2HB   ARG  10          1HB       ARG  10  -3.225  -5.079   2.543
   80   1HG   ARG  10          2HG       ARG  10  -3.775  -7.538   2.682
   81   2HG   ARG  10          1HG       ARG  10  -2.974  -7.743   1.124
   82   1HD   ARG  10          2HD       ARG  10  -1.184  -8.166   2.547
   83   2HD   ARG  10          1HD       ARG  10  -1.019  -6.408   2.382
   84    HE   ARG  10           HE       ARG  10  -2.718  -7.508   4.565
   85   1HH1  ARG  10          1HH1      ARG  10   0.082  -7.729   5.384
   86   2HH1  ARG  10          2HH1      ARG  10   0.426  -6.175   6.066
   87   1HH2  ARG  10          1HH2      ARG  10  -2.314  -4.634   4.606
   88   2HH2  ARG  10          2HH2      ARG  10  -0.930  -4.422   5.627
   89    H    THR  11           HN       THR  11  -6.868  -4.159   1.607
   90    HA   THR  11           HA       THR  11  -6.423  -2.101  -0.356
   91    HB   THR  11           HB       THR  11  -8.187  -2.194   2.105
   92    HG1  THR  11           1HG      THR  11  -8.672  -2.728  -0.635
   93   1HG2  THR  11          1HG2      THR  11  -8.097   0.092   1.526
   94   2HG2  THR  11          2HG2      THR  11  -9.506  -0.494   0.641
   95   3HG2  THR  11          3HG2      THR  11  -7.972  -0.256  -0.197
   96    H    PHE  12           HN       PHE  12  -6.103   0.265   0.254
   97    HA   PHE  12           HA       PHE  12  -4.392   0.579   2.696
   98   1HB   PHE  12          2HB       PHE  12  -3.918   1.293  -0.195
   99   2HB   PHE  12          1HB       PHE  12  -3.210   2.315   1.074
  100    HD1  PHE  12           1HD      PHE  12  -1.338   1.533   2.388
  101    HD2  PHE  12           2HD      PHE  12  -3.508  -1.104  -0.207
  102    HE1  PHE  12           1HE      PHE  12   0.407  -0.215   2.714
  103    HE2  PHE  12           2HE      PHE  12  -1.794  -2.863   0.162
  104    HZ   PHE  12           HZ       PHE  12   0.164  -2.417   1.604
  105    H    ARG  13           HN       ARG  13  -5.421   1.965   4.046
  106    HA   ARG  13           HA       ARG  13  -7.208   4.066   2.907
  107   1HB   ARG  13          2HB       ARG  13  -7.548   2.215   4.877
  108   2HB   ARG  13          1HB       ARG  13  -6.991   3.592   5.830
  109   1HG   ARG  13          2HG       ARG  13  -8.735   4.974   4.535
  110   2HG   ARG  13          1HG       ARG  13  -9.409   3.424   4.028
  111   1HD   ARG  13          2HD       ARG  13 -10.059   2.843   6.200
  112   2HD   ARG  13          1HD       ARG  13  -8.862   3.921   6.948
  113    HE   ARG  13           HE       ARG  13 -11.365   4.846   5.598
  114   1HH1  ARG  13          1HH1      ARG  13  -8.452   6.204   6.267
  115   2HH1  ARG  13          2HH1      ARG  13  -9.019   7.370   7.416
  116   1HH2  ARG  13          1HH2      ARG  13 -12.185   5.979   7.663
  117   2HH2  ARG  13          2HH2      ARG  13 -11.132   7.244   8.206
  118    H    ASN  14           HN       ASN  14  -4.155   4.177   3.055
  119    HA   ASN  14           HA       ASN  14  -3.971   6.912   4.105
  120   1HB   ASN  14          2HB       ASN  14  -3.628   4.836   5.876
  121   2HB   ASN  14          1HB       ASN  14  -1.971   5.119   5.342
  122   1HD2  ASN  14          1HD2      ASN  14  -1.160   7.420   5.551
  123   2HD2  ASN  14          2HD2      ASN  14  -1.797   8.401   6.781
  124    H    GLU  15           HN       GLU  15  -2.619   7.945   2.698
  125    HA   GLU  15           HA       GLU  15  -1.139   6.628   0.639
  126   1HB   GLU  15          2HB       GLU  15  -2.014   9.102   1.024
  127   2HB   GLU  15          1HB       GLU  15  -0.390   9.344   1.674
  128   1HG   GLU  15          2HG       GLU  15   0.559   8.413  -0.432
  129   2HG   GLU  15          1HG       GLU  15  -1.075   8.284  -1.084
  130    H    LYS  16           HN       LYS  16  -0.167   7.811   3.847
  131    HA   LYS  16           HA       LYS  16   2.631   7.566   3.628
  132   1HB   LYS  16          2HB       LYS  16   1.094   8.492   5.499
  133   2HB   LYS  16          1HB       LYS  16   1.064   6.830   6.089
  134   1HG   LYS  16          2HG       LYS  16   2.926   7.503   7.235
  135   2HG   LYS  16          1HG       LYS  16   3.727   7.129   5.709
  136   1HD   LYS  16          2HD       LYS  16   2.798   9.724   5.318
  137   2HD   LYS  16          1HD       LYS  16   3.310   9.726   7.005
  138   1HE   LYS  16          2HE       LYS  16   5.400  10.092   6.153
  139   2HE   LYS  16          1HE       LYS  16   5.378   8.360   5.758
  140   1HZ   LYS  16          1HZ       LYS  16   5.784   9.553   3.747
  141   2HZ   LYS  16          2HZ       LYS  16   4.484  10.608   4.032
  142   3HZ   LYS  16          3HZ       LYS  16   4.192   8.973   3.676
  143    H    GLU  17           HN       GLU  17   0.209   5.181   4.480
  144    HA   GLU  17           HA       GLU  17   1.992   2.986   5.046
  145   1HB   GLU  17          2HB       GLU  17  -0.890   3.127   4.092
  146   2HB   GLU  17          1HB       GLU  17  -0.124   1.668   4.716
  147   1HG   GLU  17          2HG       GLU  17  -0.374   4.267   6.255
  148   2HG   GLU  17          1HG       GLU  17  -1.449   2.882   6.448
  149    H    LEU  18           HN       LEU  18   0.047   3.788   2.174
  150    HA   LEU  18           HA       LEU  18   0.970   1.708   0.475
  151   1HB   LEU  18          2HB       LEU  18  -0.974   3.462   0.318
  152   2HB   LEU  18          1HB       LEU  18   0.231   4.474  -0.475
  153    HG   LEU  18           HG       LEU  18   0.633   2.665  -2.124
  154   1HD1  LEU  18          1HD1      LEU  18  -0.564   1.019  -0.270
  155   2HD1  LEU  18          2HD1      LEU  18  -0.285   0.582  -1.931
  156   3HD1  LEU  18          3HD1      LEU  18  -1.848   1.219  -1.443
  157   1HD2  LEU  18          1HD2      LEU  18  -2.305   2.967  -2.286
  158   2HD2  LEU  18          2HD2      LEU  18  -1.059   3.441  -3.440
  159   3HD2  LEU  18          3HD2      LEU  18  -1.420   4.475  -2.059
  160    H    ARG  19           HN       ARG  19   2.204   5.034   0.912
  161    HA   ARG  19           HA       ARG  19   4.234   4.947  -1.092
  162   1HB   ARG  19          2HB       ARG  19   3.904   6.398   1.541
  163   2HB   ARG  19          1HB       ARG  19   5.279   6.700   0.479
  164   1HG   ARG  19          2HG       ARG  19   3.740   7.275  -1.361
  165   2HG   ARG  19          1HG       ARG  19   2.363   6.981  -0.300
  166   1HD   ARG  19          2HD       ARG  19   2.763   8.894   0.979
  167   2HD   ARG  19          1HD       ARG  19   4.491   8.924   0.572
  168    HE   ARG  19           HE       ARG  19   2.315   9.981  -1.099
  169   1HH1  ARG  19          1HH1      ARG  19   5.018  11.272  -0.675
  170   2HH1  ARG  19          2HH1      ARG  19   5.781  10.991  -2.205
  171   1HH2  ARG  19          1HH2      ARG  19   3.523   8.549  -3.184
  172   2HH2  ARG  19          2HH2      ARG  19   4.935   9.450  -3.625
  173    H    ASP  20           HN       ASP  20   4.035   3.390   2.019
  174    HA   ASP  20           HA       ASP  20   6.954   2.803   2.048
  175   1HB   ASP  20          2HB       ASP  20   4.651   2.589   3.990
  176   2HB   ASP  20          1HB       ASP  20   6.193   1.800   4.317
  177    H    PHE  21           HN       PHE  21   3.785   1.242   1.698
  178    HA   PHE  21           HA       PHE  21   4.619  -1.488   1.934
  179   1HB   PHE  21          2HB       PHE  21   2.294  -0.726   1.979
  180   2HB   PHE  21          1HB       PHE  21   2.381  -0.240   0.298
  181    HD1  PHE  21           1HD      PHE  21   2.250  -1.870  -1.481
  182    HD2  PHE  21           2HD      PHE  21   2.665  -3.091   2.605
  183    HE1  PHE  21           1HE      PHE  21   1.820  -4.224  -2.145
  184    HE2  PHE  21           2HE      PHE  21   2.212  -5.451   1.955
  185    HZ   PHE  21           HZ       PHE  21   1.795  -6.014  -0.425
  186    H    ILE  22           HN       ILE  22   3.610  -0.057  -1.168
  187    HA   ILE  22           HA       ILE  22   4.797  -1.858  -2.925
  188    HB   ILE  22           HB       ILE  22   4.409   1.143  -3.172
  189   1HG1  ILE  22          2HG1      ILE  22   2.493  -0.183  -4.661
  190   2HG1  ILE  22          1HG1      ILE  22   2.677  -1.236  -3.264
  191   1HG2  ILE  22          1HG2      ILE  22   4.390   0.708  -5.612
  192   2HG2  ILE  22          2HG2      ILE  22   4.803  -0.978  -5.302
  193   3HG2  ILE  22          3HG2      ILE  22   5.954   0.298  -4.906
  194   1HD1  ILE  22          1HD1      ILE  22   1.657   0.223  -1.899
  195   2HD1  ILE  22          2HD1      ILE  22   1.119   1.036  -3.366
  196   3HD1  ILE  22          3HD1      ILE  22   2.571   1.592  -2.536
  197    H    GLU  23           HN       GLU  23   6.281   0.834  -1.212
  198    HA   GLU  23           HA       GLU  23   8.792   0.937  -2.618
  199   1HB   GLU  23          2HB       GLU  23   7.875   2.654  -1.048
  200   2HB   GLU  23          1HB       GLU  23   8.126   1.533   0.289
  201   1HG   GLU  23          2HG       GLU  23  10.513   1.923  -1.399
  202   2HG   GLU  23          1HG       GLU  23   9.975   3.385  -0.575
  203    H    LYS  24           HN       LYS  24   7.619  -0.982   0.123
  204    HA   LYS  24           HA       LYS  24  10.213  -2.338   0.487
  205   1HB   LYS  24          2HB       LYS  24   8.711  -1.758   2.374
  206   2HB   LYS  24          1HB       LYS  24   7.449  -2.774   1.677
  207   1HG   LYS  24          2HG       LYS  24   8.505  -4.128   3.330
  208   2HG   LYS  24          1HG       LYS  24   9.145  -4.694   1.787
  209   1HD   LYS  24          2HD       LYS  24  11.052  -2.989   2.178
  210   2HD   LYS  24          1HD       LYS  24  10.492  -2.954   3.850
  211   1HE   LYS  24          2HE       LYS  24  10.631  -5.563   3.705
  212   2HE   LYS  24          1HE       LYS  24  11.690  -5.256   2.314
  213   1HZ   LYS  24          1HZ       LYS  24  11.998  -4.015   4.998
  214   2HZ   LYS  24          2HZ       LYS  24  13.027  -3.792   3.665
  215   3HZ   LYS  24          3HZ       LYS  24  12.933  -5.310   4.417
  216    H    PHE  25           HN       PHE  25   6.873  -3.360  -0.364
  217    HA   PHE  25           HA       PHE  25   7.961  -5.802  -1.599
  218   1HB   PHE  25          2HB       PHE  25   6.097  -5.830   0.088
  219   2HB   PHE  25          1HB       PHE  25   5.103  -4.957  -1.081
  220    HD1  PHE  25           1HD      PHE  25   3.718  -6.223  -2.446
  221    HD2  PHE  25           2HD      PHE  25   7.369  -7.947  -0.991
  222    HE1  PHE  25           1HE      PHE  25   3.156  -8.363  -3.572
  223    HE2  PHE  25           2HE      PHE  25   6.810 -10.088  -2.113
  224    HZ   PHE  25           HZ       PHE  25   4.703 -10.295  -3.405
  225    H    LYS  26           HN       LYS  26   8.785  -4.051  -3.294
  226    HA   LYS  26           HA       LYS  26   7.030  -2.766  -5.110
  227   1HB   LYS  26          2HB       LYS  26   9.836  -3.692  -5.011
  228   2HB   LYS  26          1HB       LYS  26   9.193  -3.441  -6.635
  229   1HG   LYS  26          2HG       LYS  26   8.270  -1.198  -5.446
  230   2HG   LYS  26          1HG       LYS  26   9.724  -1.459  -4.483
  231   1HD   LYS  26          2HD       LYS  26  11.139  -1.115  -6.267
  232   2HD   LYS  26          1HD       LYS  26   9.978  -1.735  -7.442
  233   1HE   LYS  26          2HE       LYS  26   8.623   0.458  -6.622
  234   2HE   LYS  26          1HE       LYS  26  10.286   1.027  -6.375
  235   1HZ   LYS  26          1HZ       LYS  26  10.806   0.157  -8.622
  236   2HZ   LYS  26          2HZ       LYS  26   9.691   1.439  -8.642
  237   3HZ   LYS  26          3HZ       LYS  26   9.155  -0.159  -8.854
  238    H    GLY  27           HN       GLY  27   7.804  -6.123  -4.785
  239   1HA   GLY  27          2HA       GLY  27   6.701  -7.961  -5.800
  240   2HA   GLY  27          1HA       GLY  27   5.837  -6.827  -6.837
  241    H    ARG  28           HN       ARG  28   9.000  -8.373  -6.360
  242    HA   ARG  28           HA       ARG  28   9.793  -7.682  -9.144
  243   1HB   ARG  28          2HB       ARG  28  11.101  -8.661  -6.627
  244   2HB   ARG  28          1HB       ARG  28  11.905  -8.962  -8.169
  245   1HG   ARG  28          2HG       ARG  28  10.861  -6.211  -7.708
  246   2HG   ARG  28          1HG       ARG  28  12.281  -6.691  -6.780
  247   1HD   ARG  28          2HD       ARG  28  12.585  -7.540  -9.540
  248   2HD   ARG  28          1HD       ARG  28  12.250  -5.799  -9.460
  249    HE   ARG  28           HE       ARG  28  14.231  -5.504  -8.129
  250   1HH1  ARG  28          1HH1      ARG  28  14.753  -7.940 -10.143
  251   2HH1  ARG  28          2HH1      ARG  28  15.767  -8.901  -9.119
  252   1HH2  ARG  28          1HH2      ARG  28  15.018  -7.109  -6.248
  253   2HH2  ARG  28          2HH2      ARG  28  15.915  -8.433  -6.915
  Start of MODEL   31
    1   1H    GLU   1          1HT       GLU   1 -13.181   4.423   5.868
    2   2H    GLU   1          2HT       GLU   1 -11.611   3.832   5.602
    3   3H    GLU   1          3HT       GLU   1 -12.670   4.059   4.293
    4    HA   GLU   1           HA       GLU   1 -12.691   6.498   4.863
    5   1HB   GLU   1          2HB       GLU   1 -11.588   5.498   7.159
    6   2HB   GLU   1          1HB       GLU   1 -10.146   6.060   6.314
    7   1HG   GLU   1          2HG       GLU   1 -10.949   8.288   6.192
    8   2HG   GLU   1          1HG       GLU   1 -12.598   7.801   6.583
    9    H    GLN   2           HN       GLN   2 -11.252   7.805   3.573
   10    HA   GLN   2           HA       GLN   2  -9.794   8.185   1.757
   11   1HB   GLN   2          2HB       GLN   2  -8.433   6.956   3.881
   12   2HB   GLN   2          1HB       GLN   2  -7.919   6.053   2.459
   13   1HG   GLN   2          2HG       GLN   2  -6.445   7.736   2.107
   14   2HG   GLN   2          1HG       GLN   2  -7.835   8.684   1.578
   15   1HE2  GLN   2          1HE2      GLN   2  -9.153   9.419   3.827
   16   2HE2  GLN   2          2HE2      GLN   2  -8.139  10.231   4.920
   17    H    TYR   3           HN       TYR   3  -8.625   6.944  -0.120
   18    HA   TYR   3           HA       TYR   3 -10.440   5.406  -1.577
   19   1HB   TYR   3          2HB       TYR   3  -8.365   4.747  -2.894
   20   2HB   TYR   3          1HB       TYR   3  -8.627   6.471  -2.654
   21    HD1  TYR   3           1HD      TYR   3  -6.807   7.722  -2.080
   22    HD2  TYR   3           2HD      TYR   3  -6.969   3.629  -0.794
   23    HE1  TYR   3           1HE      TYR   3  -4.592   7.961  -1.018
   24    HE2  TYR   3           2HE      TYR   3  -4.766   3.872   0.261
   25    HH   TYR   3           HH       TYR   3  -2.737   5.339  -0.025
   26    H    THR   4           HN       THR   4  -9.874   3.074  -2.415
   27    HA   THR   4           HA       THR   4  -9.278   1.338  -0.040
   28    HB   THR   4           HB       THR   4 -10.939  -0.202  -1.443
   29    HG1  THR   4           1HG      THR   4 -11.568   0.927  -3.110
   30   1HG2  THR   4          1HG2      THR   4 -11.269   0.655   0.866
   31   2HG2  THR   4          2HG2      THR   4 -12.766   0.645  -0.068
   32   3HG2  THR   4          3HG2      THR   4 -11.900   2.159   0.192
   33    H    ALA   5           HN       ALA   5  -7.323   2.167  -2.033
   34    HA   ALA   5           HA       ALA   5  -6.829   0.434  -4.176
   35   1HB   ALA   5          1HB       ALA   5  -5.553   2.492  -3.131
   36   2HB   ALA   5          2HB       ALA   5  -4.659   1.282  -4.055
   37   3HB   ALA   5          3HB       ALA   5  -4.641   1.231  -2.287
   38    H    LYS   6           HN       LYS   6  -6.490  -1.765  -4.237
   39    HA   LYS   6           HA       LYS   6  -5.664  -3.127  -1.699
   40   1HB   LYS   6          2HB       LYS   6  -6.788  -5.111  -2.734
   41   2HB   LYS   6          1HB       LYS   6  -7.877  -3.749  -2.476
   42   1HG   LYS   6          2HG       LYS   6  -7.869  -3.162  -4.771
   43   2HG   LYS   6          1HG       LYS   6  -6.453  -4.158  -5.105
   44   1HD   LYS   6          2HD       LYS   6  -7.749  -6.194  -4.664
   45   2HD   LYS   6          1HD       LYS   6  -9.164  -5.222  -4.257
   46   1HE   LYS   6          2HE       LYS   6  -7.818  -4.904  -6.942
   47   2HE   LYS   6          1HE       LYS   6  -9.030  -6.173  -6.672
   48   1HZ   LYS   6          1HZ       LYS   6 -10.489  -4.432  -5.719
   49   2HZ   LYS   6          2HZ       LYS   6 -10.164  -4.201  -7.371
   50   3HZ   LYS   6          3HZ       LYS   6  -9.364  -3.258  -6.204
   51    H    TYR   7           HN       TYR   7  -3.947  -4.538  -1.729
   52    HA   TYR   7           HA       TYR   7  -2.466  -4.890  -4.316
   53   1HB   TYR   7          2HB       TYR   7  -1.485  -4.108  -1.570
   54   2HB   TYR   7          1HB       TYR   7  -0.409  -4.607  -2.872
   55    HD1  TYR   7           1HD      TYR   7   0.226  -3.126  -4.547
   56    HD2  TYR   7           2HD      TYR   7  -3.080  -2.169  -2.011
   57    HE1  TYR   7           1HE      TYR   7   0.181  -0.838  -5.491
   58    HE2  TYR   7           2HE      TYR   7  -3.162   0.121  -2.944
   59    HH   TYR   7           HH       TYR   7  -2.093   1.046  -5.608
   60    H    LYS   8           HN       LYS   8  -2.548  -7.075  -4.679
   61    HA   LYS   8           HA       LYS   8  -2.484  -9.412  -4.284
   62   1HB   LYS   8          2HB       LYS   8  -0.242  -8.111  -3.280
   63   2HB   LYS   8          1HB       LYS   8  -0.746  -9.128  -1.929
   64   1HG   LYS   8          2HG       LYS   8   0.632 -10.581  -3.136
   65   2HG   LYS   8          1HG       LYS   8  -0.964 -10.989  -3.767
   66   1HD   LYS   8          2HD       LYS   8  -0.575  -9.976  -5.803
   67   2HD   LYS   8          1HD       LYS   8   0.534  -8.787  -5.117
   68   1HE   LYS   8          2HE       LYS   8   2.059 -10.898  -4.664
   69   2HE   LYS   8          1HE       LYS   8   1.088 -11.616  -5.965
   70   1HZ   LYS   8          1HZ       LYS   8   1.501  -9.530  -7.245
   71   2HZ   LYS   8          2HZ       LYS   8   2.888 -10.476  -6.989
   72   3HZ   LYS   8          3HZ       LYS   8   2.626  -9.078  -6.059
   73    H    GLY   9           HN       GLY   9  -4.452  -7.691  -2.640
   74   1HA   GLY   9          2HA       GLY   9  -6.241  -8.658  -1.307
   75   2HA   GLY   9          1HA       GLY   9  -5.081  -9.808  -0.645
   76    H    ARG  10           HN       ARG  10  -4.563  -6.306  -0.928
   77    HA   ARG  10           HA       ARG  10  -4.903  -5.995   2.022
   78   1HB   ARG  10          2HB       ARG  10  -2.410  -5.361   0.409
   79   2HB   ARG  10          1HB       ARG  10  -2.635  -4.968   2.113
   80   1HG   ARG  10          2HG       ARG  10  -3.009  -7.414   2.557
   81   2HG   ARG  10          1HG       ARG  10  -2.568  -7.732   0.879
   82   1HD   ARG  10          2HD       ARG  10  -0.360  -6.661   1.261
   83   2HD   ARG  10          1HD       ARG  10  -0.800  -6.395   2.959
   84    HE   ARG  10           HE       ARG  10  -0.941  -8.851   3.228
   85   1HH1  ARG  10          1HH2      ARG  10  -1.303  -9.671   0.399
   86   2HH1  ARG  10          2HH2      ARG  10   0.275 -10.234  -0.038
   87   1HH2  ARG  10          1HH1      ARG  10   1.855  -8.689   2.636
   88   2HH2  ARG  10          2HH1      ARG  10   2.064  -9.677   1.228
   89    H    THR  11           HN       THR  11  -6.502  -4.385   1.902
   90    HA   THR  11           HA       THR  11  -6.515  -2.326  -0.133
   91    HB   THR  11           HB       THR  11  -7.943  -2.462   2.533
   92    HG1  THR  11           1HG      THR  11  -8.622  -3.434  -0.044
   93   1HG2  THR  11          1HG2      THR  11  -9.619  -1.060   1.283
   94   2HG2  THR  11          2HG2      THR  11  -8.451  -0.940  -0.035
   95   3HG2  THR  11          3HG2      THR  11  -8.069  -0.255   1.544
   96    H    PHE  12           HN       PHE  12  -6.348   0.041   0.388
   97    HA   PHE  12           HA       PHE  12  -4.507   0.616   2.681
   98   1HB   PHE  12          2HB       PHE  12  -4.279   1.262  -0.262
   99   2HB   PHE  12          1HB       PHE  12  -3.496   2.299   0.947
  100    HD1  PHE  12           1HD      PHE  12  -1.637   1.468   2.314
  101    HD2  PHE  12           2HD      PHE  12  -3.697  -1.034  -0.505
  102    HE1  PHE  12           1HE      PHE  12   0.170  -0.234   2.509
  103    HE2  PHE  12           2HE      PHE  12  -1.902  -2.744  -0.295
  104    HZ   PHE  12           HZ       PHE  12   0.029  -2.342   1.208
  105    H    ARG  13           HN       ARG  13  -5.264   2.234   3.940
  106    HA   ARG  13           HA       ARG  13  -7.281   4.132   2.785
  107   1HB   ARG  13          2HB       ARG  13  -6.914   2.927   5.545
  108   2HB   ARG  13          1HB       ARG  13  -8.063   4.221   5.200
  109   1HG   ARG  13          2HG       ARG  13  -9.330   2.848   3.726
  110   2HG   ARG  13          1HG       ARG  13  -8.054   1.634   3.638
  111   1HD   ARG  13          2HD       ARG  13  -8.860   2.052   6.405
  112   2HD   ARG  13          1HD       ARG  13 -10.252   1.610   5.397
  113    HE   ARG  13           HE       ARG  13  -7.755  -0.006   5.658
  114   1HH1  ARG  13          1HH2      ARG  13  -9.755   0.184   3.152
  115   2HH1  ARG  13          2HH2      ARG  13 -10.543  -1.346   3.345
  116   1HH2  ARG  13          1HH1      ARG  13  -9.302  -1.879   6.539
  117   2HH2  ARG  13          2HH1      ARG  13 -10.287  -2.514   5.263
  118    H    ASN  14           HN       ASN  14  -4.288   4.360   2.863
  119    HA   ASN  14           HA       ASN  14  -4.129   7.088   3.902
  120   1HB   ASN  14          2HB       ASN  14  -3.940   5.760   5.962
  121   2HB   ASN  14          1HB       ASN  14  -2.625   4.819   5.255
  122   1HD2  ASN  14          1HD2      ASN  14  -3.479   8.257   5.867
  123   2HD2  ASN  14          2HD2      ASN  14  -1.906   8.737   6.292
  124    H    GLU  15           HN       GLU  15  -2.214   8.137   3.162
  125    HA   GLU  15           HA       GLU  15  -0.993   6.960   0.784
  126   1HB   GLU  15          2HB       GLU  15  -1.659   9.425   1.469
  127   2HB   GLU  15          1HB       GLU  15  -0.036   9.452   2.158
  128   1HG   GLU  15          2HG       GLU  15   0.976   8.992   0.043
  129   2HG   GLU  15          1HG       GLU  15  -0.575   8.568  -0.683
  130    H    LYS  16           HN       LYS  16   0.240   7.966   3.994
  131    HA   LYS  16           HA       LYS  16   2.949   7.350   3.690
  132   1HB   LYS  16          2HB       LYS  16   1.459   8.333   5.641
  133   2HB   LYS  16          1HB       LYS  16   1.507   6.665   6.217
  134   1HG   LYS  16          2HG       LYS  16   3.420   7.451   7.238
  135   2HG   LYS  16          1HG       LYS  16   4.114   6.967   5.690
  136   1HD   LYS  16          2HD       LYS  16   3.640   9.335   4.877
  137   2HD   LYS  16          1HD       LYS  16   3.291   9.746   6.557
  138   1HE   LYS  16          2HE       LYS  16   5.669   8.488   6.894
  139   2HE   LYS  16          1HE       LYS  16   5.904   9.157   5.267
  140   1HZ   LYS  16          1HZ       LYS  16   6.475  10.746   7.058
  141   2HZ   LYS  16          2HZ       LYS  16   4.860  10.702   7.581
  142   3HZ   LYS  16          3HZ       LYS  16   5.242  11.310   6.041
  143    H    GLU  17           HN       GLU  17   0.309   5.220   4.569
  144    HA   GLU  17           HA       GLU  17   1.808   2.847   5.134
  145   1HB   GLU  17          2HB       GLU  17  -0.986   3.268   4.022
  146   2HB   GLU  17          1HB       GLU  17  -0.400   1.751   4.696
  147   1HG   GLU  17          2HG       GLU  17  -0.524   4.376   6.197
  148   2HG   GLU  17          1HG       GLU  17  -1.706   3.075   6.332
  149    H    LEU  18           HN       LEU  18  -0.154   3.493   2.233
  150    HA   LEU  18           HA       LEU  18   0.799   1.365   0.670
  151   1HB   LEU  18          2HB       LEU  18  -1.195   2.890   0.317
  152   2HB   LEU  18          1HB       LEU  18  -0.071   4.084  -0.335
  153    HG   LEU  18           HG       LEU  18   0.710   2.320  -1.966
  154   1HD1  LEU  18          1HD1      LEU  18  -0.440   0.505  -0.419
  155   2HD1  LEU  18          2HD1      LEU  18  -0.377   0.275  -2.155
  156   3HD1  LEU  18          3HD1      LEU  18  -1.850   0.874  -1.395
  157   1HD2  LEU  18          1HD2      LEU  18  -2.240   2.702  -2.340
  158   2HD2  LEU  18          2HD2      LEU  18  -0.931   2.914  -3.502
  159   3HD2  LEU  18          3HD2      LEU  18  -1.207   4.129  -2.256
  160    H    ARG  19           HN       ARG  19   1.915   4.786   0.455
  161    HA   ARG  19           HA       ARG  19   3.905   4.423  -1.502
  162   1HB   ARG  19          2HB       ARG  19   3.739   6.204   0.950
  163   2HB   ARG  19          1HB       ARG  19   4.996   6.391  -0.273
  164   1HG   ARG  19          2HG       ARG  19   2.917   6.356  -1.925
  165   2HG   ARG  19          1HG       ARG  19   2.055   6.901  -0.486
  166   1HD   ARG  19          2HD       ARG  19   2.762   8.932  -1.468
  167   2HD   ARG  19          1HD       ARG  19   4.043   8.619  -0.281
  168    HE   ARG  19           HE       ARG  19   5.301   7.499  -2.190
  169   1HH1  ARG  19          1HH1      ARG  19   4.817  10.591  -2.395
  170   2HH1  ARG  19          2HH1      ARG  19   4.522  10.724  -4.097
  171   1HH2  ARG  19          1HH2      ARG  19   4.052   7.320  -4.553
  172   2HH2  ARG  19          2HH2      ARG  19   4.091   8.873  -5.318
  173    H    ASP  20           HN       ASP  20   3.974   3.587   1.923
  174    HA   ASP  20           HA       ASP  20   6.836   2.932   1.982
  175   1HB   ASP  20          2HB       ASP  20   5.553   3.660   3.976
  176   2HB   ASP  20          1HB       ASP  20   4.493   2.258   3.811
  177    H    PHE  21           HN       PHE  21   3.739   1.236   1.739
  178    HA   PHE  21           HA       PHE  21   4.637  -1.490   1.626
  179   1HB   PHE  21          2HB       PHE  21   2.311  -0.875   1.891
  180   2HB   PHE  21          1HB       PHE  21   2.306   0.020   0.383
  181    HD1  PHE  21           1HD      PHE  21   1.959  -1.076  -1.729
  182    HD2  PHE  21           2HD      PHE  21   2.737  -3.319   1.855
  183    HE1  PHE  21           1HE      PHE  21   1.437  -3.196  -2.926
  184    HE2  PHE  21           2HE      PHE  21   2.188  -5.438   0.661
  185    HZ   PHE  21           HZ       PHE  21   1.543  -5.367  -1.735
  186    H    ILE  22           HN       ILE  22   3.603   0.615  -0.994
  187    HA   ILE  22           HA       ILE  22   4.250  -0.800  -3.286
  188    HB   ILE  22           HB       ILE  22   4.538   2.158  -2.664
  189   1HG1  ILE  22          2HG1      ILE  22   2.298   1.101  -2.206
  190   2HG1  ILE  22          1HG1      ILE  22   2.239   2.312  -3.482
  191   1HG2  ILE  22          1HG2      ILE  22   4.315   2.553  -5.054
  192   2HG2  ILE  22          2HG2      ILE  22   4.150   0.823  -5.355
  193   3HG2  ILE  22          3HG2      ILE  22   5.686   1.475  -4.785
  194   1HD1  ILE  22          1HD1      ILE  22   1.555  -0.480  -3.583
  195   2HD1  ILE  22          2HD1      ILE  22   2.831  -0.143  -4.747
  196   3HD1  ILE  22          3HD1      ILE  22   1.319   0.762  -4.810
  197    H    GLU  23           HN       GLU  23   6.430   0.929  -1.137
  198    HA   GLU  23           HA       GLU  23   8.771   0.488  -2.915
  199   1HB   GLU  23          2HB       GLU  23   8.396   1.819  -0.209
  200   2HB   GLU  23          1HB       GLU  23   9.901   1.826  -1.129
  201   1HG   GLU  23          2HG       GLU  23   7.269   2.895  -2.183
  202   2HG   GLU  23          1HG       GLU  23   8.521   3.900  -1.453
  203    H    LYS  24           HN       LYS  24   7.512  -0.526   0.260
  204    HA   LYS  24           HA       LYS  24   9.762  -2.136   1.047
  205   1HB   LYS  24          2HB       LYS  24   7.719  -1.250   2.375
  206   2HB   LYS  24          1HB       LYS  24   6.867  -2.661   1.748
  207   1HG   LYS  24          2HG       LYS  24   9.552  -3.132   2.951
  208   2HG   LYS  24          1HG       LYS  24   8.239  -2.730   4.058
  209   1HD   LYS  24          2HD       LYS  24   6.909  -4.581   3.272
  210   2HD   LYS  24          1HD       LYS  24   8.038  -4.902   1.955
  211   1HE   LYS  24          2HE       LYS  24   9.010  -4.962   4.810
  212   2HE   LYS  24          1HE       LYS  24   8.212  -6.380   4.102
  213   1HZ   LYS  24          1HZ       LYS  24  10.463  -4.913   2.833
  214   2HZ   LYS  24          2HZ       LYS  24   9.742  -6.342   2.272
  215   3HZ   LYS  24          3HZ       LYS  24  10.639  -6.354   3.715
  216    H    PHE  25           HN       PHE  25   6.807  -2.856  -0.799
  217    HA   PHE  25           HA       PHE  25   7.006  -5.651  -0.993
  218   1HB   PHE  25          2HB       PHE  25   5.057  -4.414  -1.700
  219   2HB   PHE  25          1HB       PHE  25   5.994  -3.527  -2.898
  220    HD1  PHE  25           1HD      PHE  25   5.370  -4.135  -5.034
  221    HD2  PHE  25           2HD      PHE  25   5.719  -7.181  -2.029
  222    HE1  PHE  25           1HE      PHE  25   4.883  -5.863  -6.741
  223    HE2  PHE  25           2HE      PHE  25   5.230  -8.918  -3.735
  224    HZ   PHE  25           HZ       PHE  25   4.810  -8.259  -6.090
  225    H    LYS  26           HN       LYS  26   7.531  -4.236  -4.124
  226    HA   LYS  26           HA       LYS  26  10.359  -4.972  -4.229
  227   1HB   LYS  26          2HB       LYS  26   9.960  -7.019  -5.152
  228   2HB   LYS  26          1HB       LYS  26   8.295  -6.784  -4.642
  229   1HG   LYS  26          2HG       LYS  26   7.676  -5.911  -6.801
  230   2HG   LYS  26          1HG       LYS  26   9.356  -5.909  -7.340
  231   1HD   LYS  26          2HD       LYS  26   8.075  -8.463  -6.390
  232   2HD   LYS  26          1HD       LYS  26   7.811  -7.900  -8.040
  233   1HE   LYS  26          2HE       LYS  26   9.779  -8.903  -8.573
  234   2HE   LYS  26          1HE       LYS  26  10.586  -7.631  -7.635
  235   1HZ   LYS  26          1HZ       LYS  26   9.488 -10.165  -6.534
  236   2HZ   LYS  26          2HZ       LYS  26  10.229  -8.937  -5.627
  237   3HZ   LYS  26          3HZ       LYS  26  11.136  -9.820  -6.761
  238    H    GLY  27           HN       GLY  27   7.497  -4.108  -6.079
  239   1HA   GLY  27          2HA       GLY  27   7.132  -2.554  -7.791
  240   2HA   GLY  27          1HA       GLY  27   8.486  -1.650  -7.106
  241    H    ARG  28           HN       ARG  28   7.891  -4.585  -9.070
  242    HA   ARG  28           HA       ARG  28  10.104  -3.729 -10.885
  243   1HB   ARG  28          2HB       ARG  28  10.763  -5.375  -8.997
  244   2HB   ARG  28          1HB       ARG  28   9.807  -6.564  -9.883
  245   1HG   ARG  28          2HG       ARG  28  12.008  -6.845 -10.715
  246   2HG   ARG  28          1HG       ARG  28  11.193  -5.877 -11.945
  247   1HD   ARG  28          2HD       ARG  28  13.315  -4.805 -11.546
  248   2HD   ARG  28          1HD       ARG  28  12.107  -3.813 -10.707
  249    HE   ARG  28           HE       ARG  28  12.774  -4.877  -8.602
  250   1HH1  ARG  28          1HH1      ARG  28  15.245  -4.182 -10.580
  251   2HH1  ARG  28          2HH1      ARG  28  16.331  -5.418 -10.042
  252   1HH2  ARG  28          1HH2      ARG  28  13.912  -7.126  -8.236
  253   2HH2  ARG  28          2HH2      ARG  28  15.576  -7.086  -8.715
  Start of MODEL   32
    1   1H    GLU   1          1HT       GLU   1 -16.729   7.795   1.771
    2   2H    GLU   1          2HT       GLU   1 -15.641   9.087   1.594
    3   3H    GLU   1          3HT       GLU   1 -15.073   7.549   2.038
    4    HA   GLU   1           HA       GLU   1 -15.818   6.675  -0.140
    5   1HB   GLU   1          2HB       GLU   1 -17.551   8.554  -0.227
    6   2HB   GLU   1          1HB       GLU   1 -16.236   9.615  -0.735
    7   1HG   GLU   1          2HG       GLU   1 -16.960   8.923  -2.811
    8   2HG   GLU   1          1HG       GLU   1 -15.816   7.625  -2.473
    9    H    GLN   2           HN       GLN   2 -13.447   6.426   0.522
   10    HA   GLN   2           HA       GLN   2 -11.741   8.123  -1.250
   11   1HB   GLN   2          2HB       GLN   2 -11.908   8.558   1.418
   12   2HB   GLN   2          1HB       GLN   2 -10.655   7.317   1.402
   13   1HG   GLN   2          2HG       GLN   2  -9.112   8.698   0.415
   14   2HG   GLN   2          1HG       GLN   2 -10.324   9.448  -0.630
   15   1HE2  GLN   2          1HE2      GLN   2  -8.531   9.829   2.313
   16   2HE2  GLN   2          2HE2      GLN   2  -9.285  11.257   2.836
   17    H    TYR   3           HN       TYR   3  -9.352   6.927  -0.423
   18    HA   TYR   3           HA       TYR   3  -8.483   5.039  -1.976
   19   1HB   TYR   3          2HB       TYR   3  -8.208   5.537   0.902
   20   2HB   TYR   3          1HB       TYR   3  -7.683   3.925   0.419
   21    HD1  TYR   3           1HD      TYR   3  -7.074   7.504   0.151
   22    HD2  TYR   3           2HD      TYR   3  -5.908   3.617  -1.246
   23    HE1  TYR   3           1HE      TYR   3  -5.016   8.474  -0.787
   24    HE2  TYR   3           2HE      TYR   3  -3.839   4.572  -2.191
   25    HH   TYR   3           HH       TYR   3  -2.403   6.516  -1.908
   26    H    THR   4           HN       THR   4  -8.670   2.981  -2.580
   27    HA   THR   4           HA       THR   4 -10.052   0.986  -0.936
   28    HB   THR   4           HB       THR   4 -11.095   1.427  -3.724
   29    HG1  THR   4           1HG      THR   4 -11.803   3.278  -3.021
   30   1HG2  THR   4          1HG2      THR   4 -11.747  -0.169  -1.323
   31   2HG2  THR   4          2HG2      THR   4 -12.097  -0.490  -3.024
   32   3HG2  THR   4          3HG2      THR   4 -13.138   0.593  -2.100
   33    H    ALA   5           HN       ALA   5  -7.367   1.590  -2.410
   34    HA   ALA   5           HA       ALA   5  -7.007  -0.288  -4.526
   35   1HB   ALA   5          1HB       ALA   5  -5.551   1.670  -3.539
   36   2HB   ALA   5          2HB       ALA   5  -4.742   0.275  -4.258
   37   3HB   ALA   5          3HB       ALA   5  -4.895   0.401  -2.504
   38    H    LYS   6           HN       LYS   6  -4.894  -1.922  -3.627
   39    HA   LYS   6           HA       LYS   6  -5.429  -3.352  -1.217
   40   1HB   LYS   6          2HB       LYS   6  -7.532  -3.912  -2.360
   41   2HB   LYS   6          1HB       LYS   6  -6.632  -4.548  -3.734
   42   1HG   LYS   6          2HG       LYS   6  -5.663  -6.298  -2.316
   43   2HG   LYS   6          1HG       LYS   6  -6.479  -5.629  -0.902
   44   1HD   LYS   6          2HD       LYS   6  -8.092  -6.390  -3.320
   45   2HD   LYS   6          1HD       LYS   6  -7.573  -7.640  -2.189
   46   1HE   LYS   6          2HE       LYS   6  -8.946  -6.871  -0.500
   47   2HE   LYS   6          1HE       LYS   6  -8.804  -5.180  -1.018
   48   1HZ   LYS   6          1HZ       LYS   6 -10.995  -6.176  -1.542
   49   2HZ   LYS   6          2HZ       LYS   6 -10.215  -7.288  -2.563
   50   3HZ   LYS   6          3HZ       LYS   6 -10.163  -5.631  -2.919
   51    H    TYR   7           HN       TYR   7  -4.023  -3.405  -4.419
   52    HA   TYR   7           HA       TYR   7  -2.072  -4.377  -5.259
   53   1HB   TYR   7          2HB       TYR   7  -1.545  -4.109  -2.292
   54   2HB   TYR   7          1HB       TYR   7  -0.277  -4.409  -3.489
   55    HD1  TYR   7           1HD      TYR   7   0.486  -2.648  -4.934
   56    HD2  TYR   7           2HD      TYR   7  -2.920  -2.094  -2.401
   57    HE1  TYR   7           1HE      TYR   7   0.481  -0.237  -5.479
   58    HE2  TYR   7           2HE      TYR   7  -2.966   0.294  -2.935
   59    HH   TYR   7           HH       TYR   7  -2.172   1.790  -4.773
   60    H    LYS   8           HN       LYS   8  -1.668  -6.122  -2.200
   61    HA   LYS   8           HA       LYS   8  -1.867  -8.678  -3.701
   62   1HB   LYS   8          2HB       LYS   8  -0.438  -7.578  -1.401
   63   2HB   LYS   8          1HB       LYS   8  -1.167  -9.137  -1.017
   64   1HG   LYS   8          2HG       LYS   8   0.321  -8.814  -3.605
   65   2HG   LYS   8          1HG       LYS   8   1.228  -9.049  -2.110
   66   1HD   LYS   8          2HD       LYS   8  -0.039 -11.105  -1.646
   67   2HD   LYS   8          1HD       LYS   8  -0.977 -10.868  -3.121
   68   1HE   LYS   8          2HE       LYS   8   1.236 -10.902  -4.396
   69   2HE   LYS   8          1HE       LYS   8   1.983 -11.478  -2.891
   70   1HZ   LYS   8          1HZ       LYS   8  -0.403 -12.712  -4.163
   71   2HZ   LYS   8          2HZ       LYS   8   0.438 -13.290  -2.803
   72   3HZ   LYS   8          3HZ       LYS   8   1.180 -13.307  -4.327
   73    H    GLY   9           HN       GLY   9  -2.953  -7.487  -0.510
   74   1HA   GLY   9          2HA       GLY   9  -5.698  -8.319  -0.930
   75   2HA   GLY   9          1HA       GLY   9  -4.829  -9.437   0.128
   76    H    ARG  10           HN       ARG  10  -4.202  -5.983  -0.091
   77    HA   ARG  10           HA       ARG  10  -5.444  -5.554   2.604
   78   1HB   ARG  10          2HB       ARG  10  -2.635  -4.804   1.698
   79   2HB   ARG  10          1HB       ARG  10  -3.336  -4.432   3.276
   80   1HG   ARG  10          2HG       ARG  10  -3.573  -6.833   3.764
   81   2HG   ARG  10          1HG       ARG  10  -2.911  -7.229   2.178
   82   1HD   ARG  10          2HD       ARG  10  -0.897  -7.288   3.254
   83   2HD   ARG  10          1HD       ARG  10  -0.991  -5.517   3.225
   84    HE   ARG  10           HE       ARG  10  -2.235  -7.055   5.461
   85   1HH1  ARG  10          1HH2      ARG  10  -1.771  -3.949   4.770
   86   2HH1  ARG  10          2HH2      ARG  10  -0.678  -3.571   6.059
   87   1HH2  ARG  10          1HH1      ARG  10  -0.103  -6.886   6.898
   88   2HH2  ARG  10          2HH1      ARG  10   0.267  -5.234   7.263
   89    H    THR  11           HN       THR  11  -7.014  -4.000   1.903
   90    HA   THR  11           HA       THR  11  -6.420  -2.067  -0.159
   91    HB   THR  11           HB       THR  11  -8.561  -1.963   1.985
   92    HG1  THR  11           1HG      THR  11  -9.039  -3.788   1.007
   93   1HG2  THR  11          1HG2      THR  11  -9.169  -0.066   0.952
   94   2HG2  THR  11          2HG2      THR  11  -9.399  -0.975  -0.540
   95   3HG2  THR  11          3HG2      THR  11  -7.835  -0.232  -0.194
   96    H    PHE  12           HN       PHE  12  -5.233  -0.269   0.030
   97    HA   PHE  12           HA       PHE  12  -4.263   0.594   2.675
   98   1HB   PHE  12          2HB       PHE  12  -3.709   1.323  -0.209
   99   2HB   PHE  12          1HB       PHE  12  -2.890   2.102   1.153
  100    HD1  PHE  12           1HD      PHE  12  -1.192   0.965   2.410
  101    HD2  PHE  12           2HD      PHE  12  -3.528  -1.125  -0.544
  102    HE1  PHE  12           1HE      PHE  12   0.363  -0.971   2.536
  103    HE2  PHE  12           2HE      PHE  12  -1.984  -3.074  -0.388
  104    HZ   PHE  12           HZ       PHE  12  -0.042  -2.985   1.142
  105    H    ARG  13           HN       ARG  13  -5.544   1.983   3.804
  106    HA   ARG  13           HA       ARG  13  -7.227   3.969   2.345
  107   1HB   ARG  13          2HB       ARG  13  -7.562   2.258   4.580
  108   2HB   ARG  13          1HB       ARG  13  -7.516   3.894   5.235
  109   1HG   ARG  13          2HG       ARG  13  -9.318   4.602   3.805
  110   2HG   ARG  13          1HG       ARG  13  -9.258   3.096   2.889
  111   1HD   ARG  13          2HD       ARG  13  -9.606   2.620   5.763
  112   2HD   ARG  13          1HD       ARG  13 -10.926   3.575   5.063
  113    HE   ARG  13           HE       ARG  13 -10.019   1.143   3.618
  114   1HH1  ARG  13          1HH1      ARG  13 -12.567   3.216   4.001
  115   2HH1  ARG  13          2HH1      ARG  13 -13.777   2.002   4.255
  116   1HH2  ARG  13          1HH2      ARG  13 -11.494  -0.591   4.555
  117   2HH2  ARG  13          2HH2      ARG  13 -13.170  -0.151   4.566
  118    H    ASN  14           HN       ASN  14  -4.307   4.296   2.589
  119    HA   ASN  14           HA       ASN  14  -4.259   7.015   3.670
  120   1HB   ASN  14          2HB       ASN  14  -4.050   5.204   5.565
  121   2HB   ASN  14          1HB       ASN  14  -2.409   5.017   4.952
  122   1HD2  ASN  14          1HD2      ASN  14  -0.894   6.448   5.779
  123   2HD2  ASN  14          2HD2      ASN  14  -1.258   7.905   6.566
  124    H    GLU  15           HN       GLU  15  -2.136   8.033   3.212
  125    HA   GLU  15           HA       GLU  15  -0.883   6.894   0.788
  126   1HB   GLU  15          2HB       GLU  15  -1.674   9.358   1.452
  127   2HB   GLU  15          1HB       GLU  15  -0.035   9.446   2.099
  128   1HG   GLU  15          2HG       GLU  15   0.841   8.697  -0.113
  129   2HG   GLU  15          1HG       GLU  15  -0.806   8.733  -0.746
  130    H    LYS  16           HN       LYS  16   0.067   7.877   4.079
  131    HA   LYS  16           HA       LYS  16   2.845   7.414   3.889
  132   1HB   LYS  16          2HB       LYS  16   0.935   7.084   6.210
  133   2HB   LYS  16          1HB       LYS  16   2.684   7.252   6.365
  134   1HG   LYS  16          2HG       LYS  16   1.213   9.330   4.794
  135   2HG   LYS  16          1HG       LYS  16   1.080   9.372   6.552
  136   1HD   LYS  16          2HD       LYS  16   3.407   9.665   6.839
  137   2HD   LYS  16          1HD       LYS  16   3.763   9.137   5.194
  138   1HE   LYS  16          2HE       LYS  16   1.990  11.522   5.473
  139   2HE   LYS  16          1HE       LYS  16   3.712  11.745   5.842
  140   1HZ   LYS  16          1HZ       LYS  16   4.283  10.708   3.752
  141   2HZ   LYS  16          2HZ       LYS  16   3.247  12.023   3.463
  142   3HZ   LYS  16          3HZ       LYS  16   2.648  10.435   3.395
  143    H    GLU  17           HN       GLU  17   0.215   5.238   4.683
  144    HA   GLU  17           HA       GLU  17   1.759   2.930   5.408
  145   1HB   GLU  17          2HB       GLU  17  -1.009   3.649   4.672
  146   2HB   GLU  17          1HB       GLU  17  -0.590   1.983   4.292
  147   1HG   GLU  17          2HG       GLU  17  -0.296   3.317   6.995
  148   2HG   GLU  17          1HG       GLU  17  -1.532   2.143   6.536
  149    H    LEU  18           HN       LEU  18  -0.153   3.323   2.455
  150    HA   LEU  18           HA       LEU  18   0.918   1.263   0.936
  151   1HB   LEU  18          2HB       LEU  18  -1.065   2.731   0.477
  152   2HB   LEU  18          1HB       LEU  18   0.049   3.989  -0.057
  153    HG   LEU  18           HG       LEU  18   0.970   2.340  -1.722
  154   1HD1  LEU  18          1HD1      LEU  18  -0.110   0.379  -0.347
  155   2HD1  LEU  18          2HD1      LEU  18  -0.065   0.266  -2.098
  156   3HD1  LEU  18          3HD1      LEU  18  -1.546   0.757  -1.283
  157   1HD2  LEU  18          1HD2      LEU  18  -1.885   2.475  -2.440
  158   2HD2  LEU  18          2HD2      LEU  18  -0.486   3.175  -3.253
  159   3HD2  LEU  18          3HD2      LEU  18  -1.215   4.008  -1.881
  160    H    ARG  19           HN       ARG  19   2.150   4.648   1.011
  161    HA   ARG  19           HA       ARG  19   4.178   4.371  -0.948
  162   1HB   ARG  19          2HB       ARG  19   3.913   5.972   1.607
  163   2HB   ARG  19          1HB       ARG  19   5.317   6.153   0.557
  164   1HG   ARG  19          2HG       ARG  19   2.651   6.252  -0.759
  165   2HG   ARG  19          1HG       ARG  19   3.090   7.634   0.247
  166   1HD   ARG  19          2HD       ARG  19   5.202   7.892  -1.017
  167   2HD   ARG  19          1HD       ARG  19   4.754   6.512  -2.038
  168    HE   ARG  19           HE       ARG  19   3.031   8.954  -1.842
  169   1HH1  ARG  19          1HH1      ARG  19   2.045   6.528  -3.326
  170   2HH1  ARG  19          2HH1      ARG  19   2.481   6.908  -4.959
  171   1HH2  ARG  19          1HH2      ARG  19   4.704   9.414  -4.063
  172   2HH2  ARG  19          2HH2      ARG  19   3.986   8.541  -5.376
  173    H    ASP  20           HN       ASP  20   4.101   3.319   2.425
  174    HA   ASP  20           HA       ASP  20   6.916   2.523   2.549
  175   1HB   ASP  20          2HB       ASP  20   4.542   2.643   4.243
  176   2HB   ASP  20          1HB       ASP  20   5.364   1.096   4.440
  177    H    PHE  21           HN       PHE  21   3.786   0.980   1.987
  178    HA   PHE  21           HA       PHE  21   4.599  -1.760   1.682
  179   1HB   PHE  21          2HB       PHE  21   2.283  -1.064   1.898
  180   2HB   PHE  21          1HB       PHE  21   2.384  -0.067   0.464
  181    HD1  PHE  21           1HD      PHE  21   2.091  -0.985  -1.734
  182    HD2  PHE  21           2HD      PHE  21   2.614  -3.519   1.699
  183    HE1  PHE  21           1HE      PHE  21   1.516  -2.982  -3.106
  184    HE2  PHE  21           2HE      PHE  21   2.021  -5.515   0.328
  185    HZ   PHE  21           HZ       PHE  21   1.476  -5.238  -2.079
  186    H    ILE  22           HN       ILE  22   3.764   0.598  -0.791
  187    HA   ILE  22           HA       ILE  22   4.524  -0.649  -3.158
  188    HB   ILE  22           HB       ILE  22   4.799   2.250  -2.287
  189   1HG1  ILE  22          2HG1      ILE  22   2.533   1.183  -2.042
  190   2HG1  ILE  22          1HG1      ILE  22   2.555   2.497  -3.211
  191   1HG2  ILE  22          1HG2      ILE  22   4.656   2.801  -4.674
  192   2HG2  ILE  22          2HG2      ILE  22   4.597   1.085  -5.074
  193   3HG2  ILE  22          3HG2      ILE  22   6.060   1.777  -4.373
  194   1HD1  ILE  22          1HD1      ILE  22   1.829  -0.250  -3.582
  195   2HD1  ILE  22          2HD1      ILE  22   3.202   0.124  -4.620
  196   3HD1  ILE  22          3HD1      ILE  22   1.727   1.082  -4.730
  197    H    GLU  23           HN       GLU  23   6.577   0.902  -0.750
  198    HA   GLU  23           HA       GLU  23   9.018   0.842  -2.375
  199   1HB   GLU  23          2HB       GLU  23   8.213   1.521   0.442
  200   2HB   GLU  23          1HB       GLU  23   9.924   1.341   0.055
  201   1HG   GLU  23          2HG       GLU  23   8.257   3.010  -1.778
  202   2HG   GLU  23          1HG       GLU  23   8.683   3.690  -0.207
  203    H    LYS  24           HN       LYS  24   7.506  -1.179   0.100
  204    HA   LYS  24           HA       LYS  24   9.825  -2.930   0.443
  205   1HB   LYS  24          2HB       LYS  24   6.961  -2.779   1.332
  206   2HB   LYS  24          1HB       LYS  24   7.824  -4.306   1.529
  207   1HG   LYS  24          2HG       LYS  24   9.361  -3.400   3.029
  208   2HG   LYS  24          1HG       LYS  24   9.130  -1.757   2.430
  209   1HD   LYS  24          2HD       LYS  24   8.038  -1.814   4.548
  210   2HD   LYS  24          1HD       LYS  24   6.745  -1.917   3.353
  211   1HE   LYS  24          2HE       LYS  24   7.865  -4.537   4.156
  212   2HE   LYS  24          1HE       LYS  24   7.006  -3.665   5.442
  213   1HZ   LYS  24          1HZ       LYS  24   5.990  -4.178   2.695
  214   2HZ   LYS  24          2HZ       LYS  24   5.184  -3.265   3.880
  215   3HZ   LYS  24          3HZ       LYS  24   5.438  -4.925   4.117
  216    H    PHE  25           HN       PHE  25   6.550  -3.488  -0.897
  217    HA   PHE  25           HA       PHE  25   7.412  -5.885  -2.297
  218   1HB   PHE  25          2HB       PHE  25   5.199  -5.616  -1.214
  219   2HB   PHE  25          1HB       PHE  25   4.824  -4.308  -2.335
  220    HD1  PHE  25           1HD      PHE  25   3.391  -4.926  -4.042
  221    HD2  PHE  25           2HD      PHE  25   6.292  -7.754  -2.621
  222    HE1  PHE  25           1HE      PHE  25   2.598  -6.580  -5.716
  223    HE2  PHE  25           2HE      PHE  25   5.502  -9.409  -4.293
  224    HZ   PHE  25           HZ       PHE  25   3.654  -8.821  -5.841
  225    H    LYS  26           HN       LYS  26   9.059  -4.081  -3.365
  226    HA   LYS  26           HA       LYS  26   8.128  -2.423  -5.484
  227   1HB   LYS  26          2HB       LYS  26  10.727  -3.907  -5.027
  228   2HB   LYS  26          1HB       LYS  26  10.517  -2.668  -6.265
  229   1HG   LYS  26          2HG       LYS  26   9.536  -1.353  -4.096
  230   2HG   LYS  26          1HG       LYS  26  10.743  -2.383  -3.323
  231   1HD   LYS  26          2HD       LYS  26  12.435  -1.571  -4.969
  232   2HD   LYS  26          1HD       LYS  26  11.223  -0.473  -5.629
  233   1HE   LYS  26          2HE       LYS  26  10.981   0.547  -3.338
  234   2HE   LYS  26          1HE       LYS  26  12.347  -0.455  -2.808
  235   1HZ   LYS  26          1HZ       LYS  26  13.643   0.453  -4.670
  236   2HZ   LYS  26          2HZ       LYS  26  13.169   1.663  -3.576
  237   3HZ   LYS  26          3HZ       LYS  26  12.355   1.492  -5.054
  238    H    GLY  27           HN       GLY  27   8.817  -5.840  -5.351
  239   1HA   GLY  27          2HA       GLY  27   8.431  -7.574  -6.885
  240   2HA   GLY  27          1HA       GLY  27   7.231  -6.508  -7.617
  241    H    ARG  28           HN       ARG  28  10.764  -6.094  -7.318
  242    HA   ARG  28           HA       ARG  28  10.876  -5.816 -10.304
  243   1HB   ARG  28          2HB       ARG  28  12.380  -4.558  -8.000
  244   2HB   ARG  28          1HB       ARG  28  12.964  -4.449  -9.661
  245   1HG   ARG  28          2HG       ARG  28  10.126  -3.698  -8.994
  246   2HG   ARG  28          1HG       ARG  28  11.435  -2.540  -8.757
  247   1HD   ARG  28          2HD       ARG  28  11.397  -3.963 -11.377
  248   2HD   ARG  28          1HD       ARG  28  10.134  -2.746 -11.109
  249    HE   ARG  28           HE       ARG  28  12.284  -1.380 -10.234
  250   1HH1  ARG  28          1HH1      ARG  28  13.838  -3.547 -11.834
  251   2HH1  ARG  28          2HH1      ARG  28  14.151  -2.674 -13.297
  252   1HH2  ARG  28          1HH2      ARG  28  11.834  -0.184 -12.621
  253   2HH2  ARG  28          2HH2      ARG  28  13.016  -0.770 -13.743
  Start of MODEL   33
    1   1H    GLU   1          1HT       GLU   1 -16.250   8.533  -3.141
    2   2H    GLU   1          2HT       GLU   1 -17.571   7.921  -4.016
    3   3H    GLU   1          3HT       GLU   1 -16.319   8.739  -4.823
    4    HA   GLU   1           HA       GLU   1 -16.025   6.139  -3.402
    5   1HB   GLU   1          2HB       GLU   1 -16.684   7.027  -6.180
    6   2HB   GLU   1          1HB       GLU   1 -15.632   5.621  -6.004
    7   1HG   GLU   1          2HG       GLU   1 -17.448   4.849  -4.257
    8   2HG   GLU   1          1HG       GLU   1 -18.485   5.968  -5.142
    9    H    GLN   2           HN       GLN   2 -14.099   7.184  -2.387
   10    HA   GLN   2           HA       GLN   2 -11.859   7.717  -4.304
   11   1HB   GLN   2          2HB       GLN   2 -12.795   9.329  -2.424
   12   2HB   GLN   2          1HB       GLN   2 -11.814   8.322  -1.360
   13   1HG   GLN   2          2HG       GLN   2  -9.851   9.145  -2.175
   14   2HG   GLN   2          1HG       GLN   2 -10.448   9.189  -3.836
   15   1HE2  GLN   2          1HE2      GLN   2  -9.340  11.235  -1.521
   16   2HE2  GLN   2          2HE2      GLN   2 -10.245  12.624  -1.885
   17    H    TYR   3           HN       TYR   3  -9.665   7.172  -3.012
   18    HA   TYR   3           HA       TYR   3  -8.255   5.296  -2.711
   19   1HB   TYR   3          2HB       TYR   3  -9.790   6.343  -0.495
   20   2HB   TYR   3          1HB       TYR   3  -9.198   4.721  -0.135
   21    HD1  TYR   3           1HD      TYR   3  -8.369   8.177  -0.621
   22    HD2  TYR   3           2HD      TYR   3  -6.719   4.211  -0.489
   23    HE1  TYR   3           1HE      TYR   3  -6.119   9.134  -0.389
   24    HE2  TYR   3           2HE      TYR   3  -4.442   5.177  -0.244
   25    HH   TYR   3           HH       TYR   3  -3.845   8.283   0.645
   26    H    THR   4           HN       THR   4  -8.679   3.158  -0.930
   27    HA   THR   4           HA       THR   4  -9.705   1.007  -0.682
   28    HB   THR   4           HB       THR   4 -10.970   1.368  -3.411
   29    HG1  THR   4           1HG      THR   4 -12.144   2.852  -2.533
   30   1HG2  THR   4          1HG2      THR   4 -11.153  -0.527  -1.136
   31   2HG2  THR   4          2HG2      THR   4 -11.379  -0.812  -2.861
   32   3HG2  THR   4          3HG2      THR   4 -12.679  -0.099  -1.909
   33    H    ALA   5           HN       ALA   5  -7.216   1.950  -1.784
   34    HA   ALA   5           HA       ALA   5  -6.485   0.501  -4.151
   35   1HB   ALA   5          1HB       ALA   5  -5.450   2.503  -2.572
   36   2HB   ALA   5          2HB       ALA   5  -4.567   1.675  -3.861
   37   3HB   ALA   5          3HB       ALA   5  -4.389   1.139  -2.188
   38    H    LYS   6           HN       LYS   6  -6.235  -1.674  -4.240
   39    HA   LYS   6           HA       LYS   6  -5.354  -3.120  -1.762
   40   1HB   LYS   6          2HB       LYS   6  -6.561  -5.070  -2.786
   41   2HB   LYS   6          1HB       LYS   6  -7.623  -3.710  -2.419
   42   1HG   LYS   6          2HG       LYS   6  -7.661  -3.013  -4.711
   43   2HG   LYS   6          1HG       LYS   6  -6.376  -4.140  -5.140
   44   1HD   LYS   6          2HD       LYS   6  -8.269  -5.808  -4.007
   45   2HD   LYS   6          1HD       LYS   6  -9.266  -4.618  -4.843
   46   1HE   LYS   6          2HE       LYS   6  -7.316  -5.130  -6.727
   47   2HE   LYS   6          1HE       LYS   6  -7.537  -6.721  -5.970
   48   1HZ   LYS   6          1HZ       LYS   6  -9.981  -6.314  -6.146
   49   2HZ   LYS   6          2HZ       LYS   6  -9.195  -6.514  -7.638
   50   3HZ   LYS   6          3HZ       LYS   6  -9.638  -4.961  -7.110
   51    H    TYR   7           HN       TYR   7  -3.642  -4.554  -1.978
   52    HA   TYR   7           HA       TYR   7  -2.305  -4.654  -4.662
   53   1HB   TYR   7          2HB       TYR   7  -1.258  -4.243  -1.856
   54   2HB   TYR   7          1HB       TYR   7  -0.197  -4.668  -3.205
   55    HD1  TYR   7           1HD      TYR   7   0.610  -3.001  -4.617
   56    HD2  TYR   7           2HD      TYR   7  -2.865  -2.243  -2.230
   57    HE1  TYR   7           1HE      TYR   7   0.629  -0.643  -5.362
   58    HE2  TYR   7           2HE      TYR   7  -2.879   0.122  -2.972
   59    HH   TYR   7           HH       TYR   7  -1.647   1.259  -5.461
   60    H    LYS   8           HN       LYS   8  -1.857  -6.242  -1.487
   61    HA   LYS   8           HA       LYS   8  -2.005  -8.900  -2.879
   62   1HB   LYS   8          2HB       LYS   8   0.184  -7.785  -1.754
   63   2HB   LYS   8          1HB       LYS   8  -0.510  -8.548  -0.323
   64   1HG   LYS   8          2HG       LYS   8   0.869 -10.233  -1.231
   65   2HG   LYS   8          1HG       LYS   8  -0.740 -10.657  -1.816
   66   1HD   LYS   8          2HD       LYS   8  -0.247 -10.102  -3.987
   67   2HD   LYS   8          1HD       LYS   8   0.839  -8.795  -3.516
   68   1HE   LYS   8          2HE       LYS   8   2.458 -10.285  -4.196
   69   2HE   LYS   8          1HE       LYS   8   2.223 -10.953  -2.569
   70   1HZ   LYS   8          1HZ       LYS   8   0.371 -12.296  -3.531
   71   2HZ   LYS   8          2HZ       LYS   8   1.912 -12.727  -4.103
   72   3HZ   LYS   8          3HZ       LYS   8   0.876 -11.801  -5.076
   73    H    GLY   9           HN       GLY   9  -4.362  -7.801  -1.962
   74   1HA   GLY   9          2HA       GLY   9  -6.213  -8.591  -0.708
   75   2HA   GLY   9          1HA       GLY   9  -5.123  -9.668   0.168
   76    H    ARG  10           HN       ARG  10  -4.507  -6.229  -0.205
   77    HA   ARG  10           HA       ARG  10  -5.336  -5.714   2.621
   78   1HB   ARG  10          2HB       ARG  10  -2.605  -5.118   1.417
   79   2HB   ARG  10          1HB       ARG  10  -3.108  -4.768   3.071
   80   1HG   ARG  10          2HG       ARG  10  -3.459  -7.198   3.464
   81   2HG   ARG  10          1HG       ARG  10  -2.882  -7.528   1.830
   82   1HD   ARG  10          2HD       ARG  10  -0.776  -6.138   2.580
   83   2HD   ARG  10          1HD       ARG  10  -1.329  -6.554   4.215
   84    HE   ARG  10           HE       ARG  10  -1.089  -8.713   2.181
   85   1HH1  ARG  10          1HH2      ARG  10  -1.681  -9.485   4.948
   86   2HH1  ARG  10          2HH2      ARG  10  -0.117  -9.839   5.606
   87   1HH2  ARG  10          1HH1      ARG  10   1.605  -8.179   3.094
   88   2HH2  ARG  10          2HH1      ARG  10   1.744  -9.100   4.555
   89    H    THR  11           HN       THR  11  -6.893  -4.119   2.041
   90    HA   THR  11           HA       THR  11  -6.488  -2.190  -0.057
   91    HB   THR  11           HB       THR  11  -8.254  -2.096   2.411
   92    HG1  THR  11           1HG      THR  11  -9.711  -3.145   1.185
   93   1HG2  THR  11          1HG2      THR  11  -8.989  -0.103   1.658
   94   2HG2  THR  11          2HG2      THR  11  -9.333  -0.802   0.077
   95   3HG2  THR  11          3HG2      THR  11  -7.736  -0.129   0.416
   96    H    PHE  12           HN       PHE  12  -5.794   0.039   0.159
   97    HA   PHE  12           HA       PHE  12  -4.272   0.603   2.679
   98   1HB   PHE  12          2HB       PHE  12  -3.862   1.228  -0.249
   99   2HB   PHE  12          1HB       PHE  12  -3.035   2.171   1.006
  100    HD1  PHE  12           1HD      PHE  12  -1.301   1.177   2.399
  101    HD2  PHE  12           2HD      PHE  12  -3.507  -1.153  -0.467
  102    HE1  PHE  12           1HE      PHE  12   0.344  -0.677   2.633
  103    HE2  PHE  12           2HE      PHE  12  -1.876  -3.021  -0.208
  104    HZ   PHE  12           HZ       PHE  12   0.049  -2.771   1.334
  105    H    ARG  13           HN       ARG  13  -5.686   1.825   3.897
  106    HA   ARG  13           HA       ARG  13  -7.282   3.976   2.630
  107   1HB   ARG  13          2HB       ARG  13  -7.879   2.213   4.519
  108   2HB   ARG  13          1HB       ARG  13  -7.139   3.418   5.573
  109   1HG   ARG  13          2HG       ARG  13  -8.699   5.103   4.897
  110   2HG   ARG  13          1HG       ARG  13  -9.295   4.108   3.567
  111   1HD   ARG  13          2HD       ARG  13  -9.473   2.951   6.319
  112   2HD   ARG  13          1HD       ARG  13 -10.622   4.234   5.888
  113    HE   ARG  13           HE       ARG  13 -10.340   1.635   4.452
  114   1HH1  ARG  13          1HH1      ARG  13 -12.723   3.121   5.960
  115   2HH1  ARG  13          2HH1      ARG  13 -13.751   3.413   4.598
  116   1HH2  ARG  13          1HH2      ARG  13 -11.302   2.674   2.255
  117   2HH2  ARG  13          2HH2      ARG  13 -12.948   3.158   2.500
  118    H    ASN  14           HN       ASN  14  -4.157   3.945   3.214
  119    HA   ASN  14           HA       ASN  14  -4.078   6.767   4.109
  120   1HB   ASN  14          2HB       ASN  14  -3.723   4.621   5.879
  121   2HB   ASN  14          1HB       ASN  14  -2.081   5.136   5.494
  122   1HD2  ASN  14          1HD2      ASN  14  -1.483   7.385   6.015
  123   2HD2  ASN  14          2HD2      ASN  14  -2.393   8.285   7.130
  124    H    GLU  15           HN       GLU  15  -2.712   7.771   2.709
  125    HA   GLU  15           HA       GLU  15  -1.131   6.457   0.740
  126   1HB   GLU  15          2HB       GLU  15  -1.993   8.995   1.302
  127   2HB   GLU  15          1HB       GLU  15  -0.270   9.142   1.648
  128   1HG   GLU  15          2HG       GLU  15  -0.894   7.673  -0.839
  129   2HG   GLU  15          1HG       GLU  15  -1.372   9.369  -0.854
  130    H    LYS  16           HN       LYS  16  -0.316   7.539   4.011
  131    HA   LYS  16           HA       LYS  16   2.508   7.350   3.847
  132   1HB   LYS  16          2HB       LYS  16   1.003   8.359   5.653
  133   2HB   LYS  16          1HB       LYS  16   0.815   6.711   6.257
  134   1HG   LYS  16          2HG       LYS  16   3.416   6.636   6.204
  135   2HG   LYS  16          1HG       LYS  16   3.311   8.395   6.131
  136   1HD   LYS  16          2HD       LYS  16   2.525   8.578   8.277
  137   2HD   LYS  16          1HD       LYS  16   1.631   7.060   8.189
  138   1HE   LYS  16          2HE       LYS  16   4.607   6.859   8.079
  139   2HE   LYS  16          1HE       LYS  16   3.882   7.277   9.644
  140   1HZ   LYS  16          1HZ       LYS  16   3.992   4.854   9.267
  141   2HZ   LYS  16          2HZ       LYS  16   2.984   5.033   7.916
  142   3HZ   LYS  16          3HZ       LYS  16   2.400   5.414   9.465
  143    H    GLU  17           HN       GLU  17   0.074   4.967   4.695
  144    HA   GLU  17           HA       GLU  17   1.834   2.806   5.402
  145   1HB   GLU  17          2HB       GLU  17  -0.958   2.807   4.205
  146   2HB   GLU  17          1HB       GLU  17  -0.205   1.440   5.019
  147   1HG   GLU  17          2HG       GLU  17  -0.596   4.120   6.353
  148   2HG   GLU  17          1HG       GLU  17  -1.790   2.824   6.426
  149    H    LEU  18           HN       LEU  18  -0.108   3.226   2.457
  150    HA   LEU  18           HA       LEU  18   0.952   1.166   0.917
  151   1HB   LEU  18          2HB       LEU  18  -1.023   2.675   0.473
  152   2HB   LEU  18          1HB       LEU  18   0.119   3.898  -0.084
  153    HG   LEU  18           HG       LEU  18   1.005   2.200  -1.720
  154   1HD1  LEU  18          1HD1      LEU  18  -0.144   0.299  -0.297
  155   2HD1  LEU  18          2HD1      LEU  18  -0.044   0.140  -2.040
  156   3HD1  LEU  18          3HD1      LEU  18  -1.543   0.677  -1.289
  157   1HD2  LEU  18          1HD2      LEU  18  -1.900   2.456  -2.317
  158   2HD2  LEU  18          2HD2      LEU  18  -0.506   2.896  -3.304
  159   3HD2  LEU  18          3HD2      LEU  18  -1.022   3.951  -1.989
  160    H    ARG  19           HN       ARG  19   2.151   4.568   0.937
  161    HA   ARG  19           HA       ARG  19   4.216   4.243  -0.970
  162   1HB   ARG  19          2HB       ARG  19   3.873   5.941   1.509
  163   2HB   ARG  19          1HB       ARG  19   5.310   6.089   0.499
  164   1HG   ARG  19          2HG       ARG  19   2.671   6.114  -0.883
  165   2HG   ARG  19          1HG       ARG  19   3.112   7.550   0.042
  166   1HD   ARG  19          2HD       ARG  19   5.447   7.168  -1.250
  167   2HD   ARG  19          1HD       ARG  19   4.342   6.458  -2.444
  168    HE   ARG  19           HE       ARG  19   3.140   8.587  -2.526
  169   1HH1  ARG  19          1HH2      ARG  19   6.371   8.886  -2.268
  170   2HH1  ARG  19          2HH2      ARG  19   6.394  10.438  -1.499
  171   1HH2  ARG  19          1HH1      ARG  19   2.995  10.443  -0.811
  172   2HH2  ARG  19          2HH1      ARG  19   4.483  11.319  -0.674
  173    H    ASP  20           HN       ASP  20   4.107   3.318   2.442
  174    HA   ASP  20           HA       ASP  20   6.927   2.572   2.644
  175   1HB   ASP  20          2HB       ASP  20   4.781   3.003   4.356
  176   2HB   ASP  20          1HB       ASP  20   4.959   1.249   4.407
  177    H    PHE  21           HN       PHE  21   3.842   0.944   2.065
  178    HA   PHE  21           HA       PHE  21   4.734  -1.781   1.832
  179   1HB   PHE  21          2HB       PHE  21   2.398  -1.143   2.022
  180   2HB   PHE  21          1HB       PHE  21   2.480  -0.180   0.562
  181    HD1  PHE  21           1HD      PHE  21   2.240  -1.162  -1.610
  182    HD2  PHE  21           2HD      PHE  21   2.794  -3.593   1.888
  183    HE1  PHE  21           1HE      PHE  21   1.740  -3.206  -2.941
  184    HE2  PHE  21           2HE      PHE  21   2.275  -5.639   0.560
  185    HZ   PHE  21           HZ       PHE  21   1.754  -5.438  -1.859
  186    H    ILE  22           HN       ILE  22   3.834   0.489  -0.702
  187    HA   ILE  22           HA       ILE  22   4.657  -0.783  -3.034
  188    HB   ILE  22           HB       ILE  22   4.813   2.145  -2.227
  189   1HG1  ILE  22          2HG1      ILE  22   2.582   1.012  -1.967
  190   2HG1  ILE  22          1HG1      ILE  22   2.569   2.285  -3.181
  191   1HG2  ILE  22          1HG2      ILE  22   4.683   2.649  -4.615
  192   2HG2  ILE  22          2HG2      ILE  22   4.655   0.927  -4.994
  193   3HG2  ILE  22          3HG2      ILE  22   6.104   1.652  -4.299
  194   1HD1  ILE  22          1HD1      ILE  22   1.958  -0.505  -3.468
  195   2HD1  ILE  22          2HD1      ILE  22   3.309  -0.093  -4.520
  196   3HD1  ILE  22          3HD1      ILE  22   1.791   0.792  -4.649
  197    H    GLU  23           HN       GLU  23   6.628   0.900  -0.649
  198    HA   GLU  23           HA       GLU  23   9.073   1.047  -2.202
  199   1HB   GLU  23          2HB       GLU  23   8.146   1.445   0.596
  200   2HB   GLU  23          1HB       GLU  23   9.867   1.111   0.396
  201   1HG   GLU  23          2HG       GLU  23   9.999   2.939  -1.287
  202   2HG   GLU  23          1HG       GLU  23   8.299   3.305  -0.992
  203    H    LYS  24           HN       LYS  24   7.685  -1.348   0.019
  204    HA   LYS  24           HA       LYS  24  10.080  -3.045   0.012
  205   1HB   LYS  24          2HB       LYS  24   7.960  -2.667   1.676
  206   2HB   LYS  24          1HB       LYS  24   7.419  -4.101   0.803
  207   1HG   LYS  24          2HG       LYS  24   8.651  -5.174   2.411
  208   2HG   LYS  24          1HG       LYS  24   9.973  -4.825   1.298
  209   1HD   LYS  24          2HD       LYS  24  10.416  -2.708   2.529
  210   2HD   LYS  24          1HD       LYS  24   9.146  -3.136   3.675
  211   1HE   LYS  24          2HE       LYS  24  10.432  -4.746   4.702
  212   2HE   LYS  24          1HE       LYS  24  11.245  -5.201   3.191
  213   1HZ   LYS  24          1HZ       LYS  24  11.679  -2.713   4.757
  214   2HZ   LYS  24          2HZ       LYS  24  12.369  -3.026   3.236
  215   3HZ   LYS  24          3HZ       LYS  24  12.783  -3.991   4.568
  216    H    PHE  25           HN       PHE  25   6.713  -3.628  -1.074
  217    HA   PHE  25           HA       PHE  25   7.572  -5.747  -2.872
  218   1HB   PHE  25          2HB       PHE  25   5.479  -5.794  -1.524
  219   2HB   PHE  25          1HB       PHE  25   4.882  -4.416  -2.453
  220    HD1  PHE  25           1HD      PHE  25   3.345  -4.983  -4.084
  221    HD2  PHE  25           2HD      PHE  25   6.593  -7.663  -3.253
  222    HE1  PHE  25           1HE      PHE  25   2.530  -6.521  -5.857
  223    HE2  PHE  25           2HE      PHE  25   5.782  -9.202  -5.021
  224    HZ   PHE  25           HZ       PHE  25   3.749  -8.630  -6.324
  225    H    LYS  26           HN       LYS  26   8.940  -3.667  -3.825
  226    HA   LYS  26           HA       LYS  26   7.627  -1.860  -5.606
  227   1HB   LYS  26          2HB       LYS  26  10.348  -2.876  -5.050
  228   2HB   LYS  26          1HB       LYS  26  10.118  -2.211  -6.667
  229   1HG   LYS  26          2HG       LYS  26   8.958  -0.229  -5.414
  230   2HG   LYS  26          1HG       LYS  26   9.825  -0.840  -4.005
  231   1HD   LYS  26          2HD       LYS  26  11.897  -0.303  -4.869
  232   2HD   LYS  26          1HD       LYS  26  11.367  -0.503  -6.540
  233   1HE   LYS  26          2HE       LYS  26  11.526   1.828  -6.416
  234   2HE   LYS  26          1HE       LYS  26   9.833   1.600  -5.931
  235   1HZ   LYS  26          1HZ       LYS  26  12.115   1.604  -4.028
  236   2HZ   LYS  26          2HZ       LYS  26  10.459   1.594  -3.646
  237   3HZ   LYS  26          3HZ       LYS  26  11.157   2.971  -4.349
  238    H    GLY  27           HN       GLY  27   8.386  -5.220  -5.915
  239   1HA   GLY  27          2HA       GLY  27   7.766  -6.748  -7.598
  240   2HA   GLY  27          1HA       GLY  27   6.947  -5.422  -8.427
  241    H    ARG  28           HN       ARG  28  10.312  -5.158  -7.492
  242    HA   ARG  28           HA       ARG  28  12.241  -4.809  -8.807
  243   1HB   ARG  28          2HB       ARG  28  10.796  -7.224  -9.694
  244   2HB   ARG  28          1HB       ARG  28  11.974  -6.615 -10.857
  245   1HG   ARG  28          2HG       ARG  28  13.769  -6.862  -9.357
  246   2HG   ARG  28          1HG       ARG  28  12.706  -6.911  -7.951
  247   1HD   ARG  28          2HD       ARG  28  13.164  -9.181  -8.153
  248   2HD   ARG  28          1HD       ARG  28  11.767  -9.082  -9.245
  249    HE   ARG  28           HE       ARG  28  14.497  -8.622 -10.352
  250   1HH1  ARG  28          1HH1      ARG  28  13.062 -11.424  -9.653
  251   2HH1  ARG  28          2HH1      ARG  28  12.708 -11.925 -11.273
  252   1HH2  ARG  28          1HH2      ARG  28  13.400  -8.825 -12.665
  253   2HH2  ARG  28          2HH2      ARG  28  12.901 -10.454 -12.978
  Start of MODEL   34
    1   1H    GLU   1          1HT       GLU   1 -15.827   7.974  -5.997
    2   2H    GLU   1          2HT       GLU   1 -15.838   8.993  -4.638
    3   3H    GLU   1          3HT       GLU   1 -17.163   7.977  -4.953
    4    HA   GLU   1           HA       GLU   1 -15.903   6.980  -3.194
    5   1HB   GLU   1          2HB       GLU   1 -16.840   5.772  -5.341
    6   2HB   GLU   1          1HB       GLU   1 -15.134   5.500  -5.696
    7   1HG   GLU   1          2HG       GLU   1 -14.834   4.101  -3.883
    8   2HG   GLU   1          1HG       GLU   1 -16.095   4.889  -2.934
    9    H    GLN   2           HN       GLN   2 -14.030   7.710  -2.236
   10    HA   GLN   2           HA       GLN   2 -11.565   8.082  -3.840
   11   1HB   GLN   2          2HB       GLN   2 -12.620   9.600  -1.976
   12   2HB   GLN   2          1HB       GLN   2 -11.860   8.460  -0.866
   13   1HG   GLN   2          2HG       GLN   2  -9.762   9.224  -1.317
   14   2HG   GLN   2          1HG       GLN   2 -10.092   9.379  -3.044
   15   1HE2  GLN   2          1HE2      GLN   2 -11.002  10.987   0.065
   16   2HE2  GLN   2          2HE2      GLN   2 -11.026  12.553  -0.588
   17    H    TYR   3           HN       TYR   3  -9.511   7.339  -2.509
   18    HA   TYR   3           HA       TYR   3  -8.207   5.382  -2.250
   19   1HB   TYR   3          2HB       TYR   3  -9.772   6.415  -0.049
   20   2HB   TYR   3          1HB       TYR   3  -9.272   4.752   0.264
   21    HD1  TYR   3           1HD      TYR   3  -8.271   8.171   0.086
   22    HD2  TYR   3           2HD      TYR   3  -6.801   4.146  -0.171
   23    HE1  TYR   3           1HE      TYR   3  -5.982   8.997   0.422
   24    HE2  TYR   3           2HE      TYR   3  -4.488   4.974   0.179
   25    HH   TYR   3           HH       TYR   3  -3.334   6.884   1.095
   26    H    THR   4           HN       THR   4  -8.787   3.197  -0.574
   27    HA   THR   4           HA       THR   4  -9.836   1.062  -0.472
   28    HB   THR   4           HB       THR   4 -11.194   1.593  -3.117
   29    HG1  THR   4           1HG      THR   4 -12.522   2.941  -2.217
   30   1HG2  THR   4          1HG2      THR   4 -11.405  -0.303  -0.850
   31   2HG2  THR   4          2HG2      THR   4 -11.764  -0.545  -2.560
   32   3HG2  THR   4          3HG2      THR   4 -12.940   0.256  -1.519
   33    H    ALA   5           HN       ALA   5  -7.363   1.944  -1.559
   34    HA   ALA   5           HA       ALA   5  -6.758   0.629  -4.055
   35   1HB   ALA   5          1HB       ALA   5  -5.628   2.524  -2.362
   36   2HB   ALA   5          2HB       ALA   5  -4.833   1.815  -3.774
   37   3HB   ALA   5          3HB       ALA   5  -4.561   1.122  -2.167
   38    H    LYS   6           HN       LYS   6  -6.133  -1.522  -4.314
   39    HA   LYS   6           HA       LYS   6  -5.378  -3.025  -1.836
   40   1HB   LYS   6          2HB       LYS   6  -6.428  -5.001  -3.005
   41   2HB   LYS   6          1HB       LYS   6  -7.563  -3.739  -2.532
   42   1HG   LYS   6          2HG       LYS   6  -7.985  -3.108  -4.693
   43   2HG   LYS   6          1HG       LYS   6  -6.362  -3.518  -5.243
   44   1HD   LYS   6          2HD       LYS   6  -8.464  -5.567  -4.483
   45   2HD   LYS   6          1HD       LYS   6  -8.134  -5.059  -6.139
   46   1HE   LYS   6          2HE       LYS   6  -5.696  -5.823  -4.677
   47   2HE   LYS   6          1HE       LYS   6  -6.857  -7.152  -4.857
   48   1HZ   LYS   6          1HZ       LYS   6  -7.031  -6.696  -7.194
   49   2HZ   LYS   6          2HZ       LYS   6  -5.392  -6.906  -6.810
   50   3HZ   LYS   6          3HZ       LYS   6  -6.011  -5.343  -7.057
   51    H    TYR   7           HN       TYR   7  -3.551  -4.272  -2.008
   52    HA   TYR   7           HA       TYR   7  -2.156  -4.285  -4.663
   53   1HB   TYR   7          2HB       TYR   7  -1.209  -3.705  -1.854
   54   2HB   TYR   7          1HB       TYR   7  -0.084  -4.135  -3.136
   55    HD1  TYR   7           1HD      TYR   7   0.719  -2.504  -4.549
   56    HD2  TYR   7           2HD      TYR   7  -2.927  -1.844  -2.403
   57    HE1  TYR   7           1HE      TYR   7   0.667  -0.182  -5.375
   58    HE2  TYR   7           2HE      TYR   7  -3.005   0.490  -3.214
   59    HH   TYR   7           HH       TYR   7  -1.561   1.601  -5.718
   60    H    LYS   8           HN       LYS   8  -2.357  -5.909  -1.483
   61    HA   LYS   8           HA       LYS   8  -1.915  -8.524  -2.862
   62   1HB   LYS   8          2HB       LYS   8  -0.027  -7.115  -1.318
   63   2HB   LYS   8          1HB       LYS   8  -0.644  -8.362  -0.237
   64   1HG   LYS   8          2HG       LYS   8   0.348  -8.895  -3.051
   65   2HG   LYS   8          1HG       LYS   8   1.328  -9.109  -1.599
   66   1HD   LYS   8          2HD       LYS   8  -1.315 -10.415  -1.465
   67   2HD   LYS   8          1HD       LYS   8  -0.259 -11.061  -2.719
   68   1HE   LYS   8          2HE       LYS   8   1.549 -10.985  -0.755
   69   2HE   LYS   8          1HE       LYS   8   0.093 -11.105   0.253
   70   1HZ   LYS   8          1HZ       LYS   8  -0.644 -12.982  -1.058
   71   2HZ   LYS   8          2HZ       LYS   8   0.899 -13.302  -0.428
   72   3HZ   LYS   8          3HZ       LYS   8   0.723 -12.862  -2.060
   73    H    GLY   9           HN       GLY   9  -4.428  -7.892  -2.275
   74   1HA   GLY   9          2HA       GLY   9  -6.304  -8.697  -1.107
   75   2HA   GLY   9          1HA       GLY   9  -5.215  -9.767  -0.220
   76    H    ARG  10           HN       ARG  10  -4.769  -6.288  -0.358
   77    HA   ARG  10           HA       ARG  10  -5.849  -5.953   2.402
   78   1HB   ARG  10          2HB       ARG  10  -3.016  -5.323   1.490
   79   2HB   ARG  10          1HB       ARG  10  -3.675  -4.970   3.089
   80   1HG   ARG  10          2HG       ARG  10  -4.131  -7.428   3.376
   81   2HG   ARG  10          1HG       ARG  10  -3.278  -7.711   1.860
   82   1HD   ARG  10          2HD       ARG  10  -1.564  -8.002   3.453
   83   2HD   ARG  10          1HD       ARG  10  -1.366  -6.296   3.012
   84    HE   ARG  10           HE       ARG  10  -3.172  -6.100   5.013
   85   1HH1  ARG  10          1HH2      ARG  10  -0.095  -5.721   5.256
   86   2HH1  ARG  10          2HH2      ARG  10   0.209  -6.641   6.692
   87   1HH2  ARG  10          1HH1      ARG  10  -2.871  -8.235   6.641
   88   2HH2  ARG  10          2HH1      ARG  10  -1.363  -8.064   7.478
   89    H    THR  11           HN       THR  11  -7.197  -4.169   2.144
   90    HA   THR  11           HA       THR  11  -6.838  -2.241   0.013
   91    HB   THR  11           HB       THR  11  -8.474  -2.115   2.572
   92    HG1  THR  11           1HG      THR  11  -9.106  -3.016  -0.040
   93   1HG2  THR  11          1HG2      THR  11  -9.296  -0.147   1.837
   94   2HG2  THR  11          2HG2      THR  11  -9.548  -0.790   0.215
   95   3HG2  THR  11          3HG2      THR  11  -7.978  -0.119   0.664
   96    H    PHE  12           HN       PHE  12  -5.813  -0.191   0.153
   97    HA   PHE  12           HA       PHE  12  -4.244   0.318   2.642
   98   1HB   PHE  12          2HB       PHE  12  -3.943   1.055  -0.285
   99   2HB   PHE  12          1HB       PHE  12  -2.969   1.825   0.983
  100    HD1  PHE  12           1HD      PHE  12  -1.162   0.665   2.022
  101    HD2  PHE  12           2HD      PHE  12  -3.943  -1.396  -0.497
  102    HE1  PHE  12           1HE      PHE  12   0.314  -1.340   2.056
  103    HE2  PHE  12           2HE      PHE  12  -2.506  -3.433  -0.426
  104    HZ   PHE  12           HZ       PHE  12  -0.370  -3.395   0.841
  105    H    ARG  13           HN       ARG  13  -5.580   1.512   3.928
  106    HA   ARG  13           HA       ARG  13  -7.060   3.832   2.781
  107   1HB   ARG  13          2HB       ARG  13  -7.194   2.082   5.199
  108   2HB   ARG  13          1HB       ARG  13  -7.812   3.727   5.353
  109   1HG   ARG  13          2HG       ARG  13  -8.623   2.015   3.014
  110   2HG   ARG  13          1HG       ARG  13  -9.446   1.852   4.565
  111   1HD   ARG  13          2HD       ARG  13  -9.070   4.619   3.483
  112   2HD   ARG  13          1HD       ARG  13 -10.320   3.599   2.753
  113    HE   ARG  13           HE       ARG  13 -10.615   3.280   5.513
  114   1HH1  ARG  13          1HH2      ARG  13 -12.576   4.525   3.472
  115   2HH1  ARG  13          2HH2      ARG  13 -12.886   6.050   4.231
  116   1HH2  ARG  13          1HH1      ARG  13 -10.194   5.816   6.404
  117   2HH2  ARG  13          2HH1      ARG  13 -11.539   6.781   5.893
  118    H    ASN  14           HN       ASN  14  -4.066   3.748   3.245
  119    HA   ASN  14           HA       ASN  14  -3.895   6.292   4.761
  120   1HB   ASN  14          2HB       ASN  14  -3.591   4.564   6.438
  121   2HB   ASN  14          1HB       ASN  14  -2.424   3.716   5.423
  122   1HD2  ASN  14          1HD2      ASN  14  -2.892   7.041   6.703
  123   2HD2  ASN  14          2HD2      ASN  14  -1.271   7.268   7.155
  124    H    GLU  15           HN       GLU  15  -2.679   7.634   3.536
  125    HA   GLU  15           HA       GLU  15  -1.320   6.914   1.146
  126   1HB   GLU  15          2HB       GLU  15  -2.140   9.186   2.314
  127   2HB   GLU  15          1HB       GLU  15  -0.431   9.273   2.751
  128   1HG   GLU  15          2HG       GLU  15  -0.050   8.680   0.214
  129   2HG   GLU  15          1HG       GLU  15  -1.692   9.296   0.026
  130    H    LYS  16           HN       LYS  16  -0.079   7.358   4.458
  131    HA   LYS  16           HA       LYS  16   2.685   7.095   3.931
  132   1HB   LYS  16          2HB       LYS  16   1.163   7.597   6.084
  133   2HB   LYS  16          1HB       LYS  16   1.523   5.898   6.392
  134   1HG   LYS  16          2HG       LYS  16   3.851   6.281   6.483
  135   2HG   LYS  16          1HG       LYS  16   3.712   7.846   5.680
  136   1HD   LYS  16          2HD       LYS  16   4.101   8.230   8.048
  137   2HD   LYS  16          1HD       LYS  16   2.441   8.691   7.669
  138   1HE   LYS  16          2HE       LYS  16   2.139   7.389   9.603
  139   2HE   LYS  16          1HE       LYS  16   1.923   6.172   8.329
  140   1HZ   LYS  16          1HZ       LYS  16   4.510   6.824   9.641
  141   2HZ   LYS  16          2HZ       LYS  16   4.253   5.623   8.465
  142   3HZ   LYS  16          3HZ       LYS  16   3.556   5.470  10.007
  143    H    GLU  17           HN       GLU  17   0.248   4.669   4.640
  144    HA   GLU  17           HA       GLU  17   1.899   2.347   4.737
  145   1HB   GLU  17          2HB       GLU  17  -0.969   2.984   4.132
  146   2HB   GLU  17          1HB       GLU  17  -0.395   1.344   3.837
  147   1HG   GLU  17          2HG       GLU  17  -0.087   2.824   6.464
  148   2HG   GLU  17          1HG       GLU  17  -1.340   1.629   6.124
  149    H    LEU  18           HN       LEU  18  -0.058   3.548   1.988
  150    HA   LEU  18           HA       LEU  18   0.868   1.754   0.012
  151   1HB   LEU  18          2HB       LEU  18  -0.907   3.817   0.184
  152   2HB   LEU  18          1HB       LEU  18   0.358   4.575  -0.782
  153    HG   LEU  18           HG       LEU  18   0.241   2.748  -2.411
  154   1HD1  LEU  18          1HD1      LEU  18  -1.080   1.394  -0.269
  155   2HD1  LEU  18          2HD1      LEU  18  -0.600   0.724  -1.824
  156   3HD1  LEU  18          3HD1      LEU  18  -2.196   1.456  -1.626
  157   1HD2  LEU  18          1HD2      LEU  18  -2.534   3.775  -1.768
  158   2HD2  LEU  18          2HD2      LEU  18  -1.938   3.265  -3.348
  159   3HD2  LEU  18          3HD2      LEU  18  -1.292   4.721  -2.591
  160    H    ARG  19           HN       ARG  19   2.153   4.984   0.856
  161    HA   ARG  19           HA       ARG  19   4.285   5.031  -1.045
  162   1HB   ARG  19          2HB       ARG  19   3.848   6.265   1.682
  163   2HB   ARG  19          1HB       ARG  19   5.247   6.658   0.684
  164   1HG   ARG  19          2HG       ARG  19   3.201   6.931  -1.126
  165   2HG   ARG  19          1HG       ARG  19   2.425   7.466   0.364
  166   1HD   ARG  19          2HD       ARG  19   3.397   9.477  -0.176
  167   2HD   ARG  19          1HD       ARG  19   4.843   8.747   0.547
  168    HE   ARG  19           HE       ARG  19   4.285   8.282  -2.337
  169   1HH1  ARG  19          1HH2      ARG  19   6.848   7.428  -1.016
  170   2HH1  ARG  19          2HH2      ARG  19   7.927   8.704  -1.472
  171   1HH2  ARG  19          1HH1      ARG  19   5.389  10.873  -2.405
  172   2HH2  ARG  19          2HH1      ARG  19   7.100  10.654  -2.261
  173    H    ASP  20           HN       ASP  20   3.890   3.197   1.884
  174    HA   ASP  20           HA       ASP  20   6.804   2.600   2.051
  175   1HB   ASP  20          2HB       ASP  20   5.209   3.279   3.995
  176   2HB   ASP  20          1HB       ASP  20   4.615   1.622   3.883
  177    H    PHE  21           HN       PHE  21   3.654   1.064   1.433
  178    HA   PHE  21           HA       PHE  21   4.531  -1.672   1.444
  179   1HB   PHE  21          2HB       PHE  21   2.192  -0.934   1.536
  180   2HB   PHE  21          1HB       PHE  21   2.286  -0.336  -0.107
  181    HD1  PHE  21           1HD      PHE  21   2.246  -1.839  -2.005
  182    HD2  PHE  21           2HD      PHE  21   2.549  -3.322   2.006
  183    HE1  PHE  21           1HE      PHE  21   1.844  -4.147  -2.830
  184    HE2  PHE  21           2HE      PHE  21   2.141  -5.640   1.191
  185    HZ   PHE  21           HZ       PHE  21   1.790  -6.047  -1.233
  186    H    ILE  22           HN       ILE  22   3.537   0.077  -1.496
  187    HA   ILE  22           HA       ILE  22   4.709  -1.534  -3.433
  188    HB   ILE  22           HB       ILE  22   4.344   1.475  -3.338
  189   1HG1  ILE  22          2HG1      ILE  22   2.435   0.304  -4.981
  190   2HG1  ILE  22          1HG1      ILE  22   2.593  -0.862  -3.672
  191   1HG2  ILE  22          1HG2      ILE  22   4.395   1.384  -5.784
  192   2HG2  ILE  22          2HG2      ILE  22   4.650  -0.360  -5.733
  193   3HG2  ILE  22          3HG2      ILE  22   5.908   0.732  -5.152
  194   1HD1  ILE  22          1HD1      ILE  22   1.640   0.520  -2.158
  195   2HD1  ILE  22          2HD1      ILE  22   1.007   1.354  -3.576
  196   3HD1  ILE  22          3HD1      ILE  22   2.470   1.944  -2.791
  197    H    GLU  23           HN       GLU  23   6.228   0.922  -1.432
  198    HA   GLU  23           HA       GLU  23   8.774   0.990  -2.859
  199   1HB   GLU  23          2HB       GLU  23   7.437   2.310  -0.687
  200   2HB   GLU  23          1HB       GLU  23   9.003   1.756  -0.098
  201   1HG   GLU  23          2HG       GLU  23   8.764   3.189  -2.741
  202   2HG   GLU  23          1HG       GLU  23   8.888   4.089  -1.228
  203    H    LYS  24           HN       LYS  24   7.456  -0.764  -0.076
  204    HA   LYS  24           HA       LYS  24   9.974  -2.086   0.600
  205   1HB   LYS  24          2HB       LYS  24   8.101  -1.574   2.184
  206   2HB   LYS  24          1HB       LYS  24   7.097  -2.740   1.322
  207   1HG   LYS  24          2HG       LYS  24   8.270  -4.557   2.123
  208   2HG   LYS  24          1HG       LYS  24   9.779  -3.655   2.258
  209   1HD   LYS  24          2HD       LYS  24   7.501  -2.850   4.018
  210   2HD   LYS  24          1HD       LYS  24   8.387  -4.319   4.425
  211   1HE   LYS  24          2HE       LYS  24  10.456  -2.605   3.890
  212   2HE   LYS  24          1HE       LYS  24   9.260  -1.501   4.599
  213   1HZ   LYS  24          1HZ       LYS  24   8.962  -3.013   6.435
  214   2HZ   LYS  24          2HZ       LYS  24  10.610  -2.622   6.303
  215   3HZ   LYS  24          3HZ       LYS  24  10.043  -4.126   5.752
  216    H    PHE  25           HN       PHE  25   6.855  -3.315  -0.689
  217    HA   PHE  25           HA       PHE  25   8.085  -5.784  -1.603
  218   1HB   PHE  25          2HB       PHE  25   5.787  -5.614  -0.685
  219   2HB   PHE  25          1HB       PHE  25   5.335  -4.589  -2.047
  220    HD1  PHE  25           1HD      PHE  25   4.083  -5.700  -3.644
  221    HD2  PHE  25           2HD      PHE  25   7.248  -7.800  -1.644
  222    HE1  PHE  25           1HE      PHE  25   3.609  -7.715  -5.013
  223    HE2  PHE  25           2HE      PHE  25   6.777  -9.816  -3.011
  224    HZ   PHE  25           HZ       PHE  25   4.957  -9.773  -4.696
  225    H    LYS  26           HN       LYS  26   9.561  -3.969  -2.905
  226    HA   LYS  26           HA       LYS  26   8.551  -2.891  -5.348
  227   1HB   LYS  26          2HB       LYS  26  11.195  -3.557  -4.137
  228   2HB   LYS  26          1HB       LYS  26  11.162  -3.216  -5.867
  229   1HG   LYS  26          2HG       LYS  26   9.607  -1.321  -4.212
  230   2HG   LYS  26          1HG       LYS  26  11.346  -1.292  -3.924
  231   1HD   LYS  26          2HD       LYS  26  10.257  -1.253  -6.733
  232   2HD   LYS  26          1HD       LYS  26  10.391   0.236  -5.796
  233   1HE   LYS  26          2HE       LYS  26  12.830  -0.374  -5.376
  234   2HE   LYS  26          1HE       LYS  26  12.628  -1.647  -6.597
  235   1HZ   LYS  26          1HZ       LYS  26  13.348   0.325  -7.710
  236   2HZ   LYS  26          2HZ       LYS  26  12.154   1.263  -6.953
  237   3HZ   LYS  26          3HZ       LYS  26  11.711   0.085  -8.095
  238    H    GLY  27           HN       GLY  27   9.453  -6.116  -4.474
  239   1HA   GLY  27          2HA       GLY  27   8.667  -7.985  -5.863
  240   2HA   GLY  27          1HA       GLY  27   8.963  -6.985  -7.285
  241    H    ARG  28           HN       ARG  28  11.554  -6.016  -6.195
  242    HA   ARG  28           HA       ARG  28  13.276  -8.046  -7.322
  243   1HB   ARG  28          2HB       ARG  28  13.710  -5.514  -5.713
  244   2HB   ARG  28          1HB       ARG  28  15.043  -6.458  -6.378
  245   1HG   ARG  28          2HG       ARG  28  13.811  -6.270  -8.636
  246   2HG   ARG  28          1HG       ARG  28  12.862  -4.998  -7.868
  247   1HD   ARG  28          2HD       ARG  28  14.654  -3.807  -8.860
  248   2HD   ARG  28          1HD       ARG  28  15.201  -4.016  -7.185
  249    HE   ARG  28           HE       ARG  28  16.370  -6.132  -8.055
  250   1HH1  ARG  28          1HH1      ARG  28  15.102  -5.269 -10.836
  251   2HH1  ARG  28          2HH1      ARG  28  16.552  -4.787 -11.652
  252   1HH2  ARG  28          1HH2      ARG  28  18.471  -4.726  -8.764
  253   2HH2  ARG  28          2HH2      ARG  28  18.460  -4.480 -10.478