*HEADER    TOXIN                                   04-APR-08   2ROO              
*TITLE     SOLUTION STRUCTURE OF MAGI4, A SPIDER TOXIN FROM MACROTHELE           
*TITLE    2 GIGAS                                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NEUROTOXIN MAGI-4;                                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: NEUROTOXIN MAGI-4;                                         
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED.               
*KEYWDS    SPIDER, TOXIN, SODIUM CHANNEL INHIBITOR, CLEAVAGE ON PAIR             
*KEYWDS   2 OF BASIC RESIDUES, IONIC CHANNEL INHIBITOR, KNOTTIN,                 
*KEYWDS   3 NEUROTOXIN, SECRETED                                                 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    N.YAMAJI                                                              
*REVDAT   1   07-APR-09 2ROO    0                                                


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

! residue 1    Cys , intraresidue NOEs

! residue 1    Cys , NOEs forward in sequence
assi (resi 1    and name HA  ) (resi 2    and name HN  )  4.00  2.20  1.00
assi (resi 1    and name HB1 ) (resi 2    and name HN  )  4.00  2.20  1.00
assi (resi 1    and name HB2 ) (resi 2    and name HN  )  4.00  2.20  1.00
assi (resi 1    and name HB1 ) (resi 14   and name HA  )  4.00  2.20  1.00
assi (resi 1    and name HB2 ) (resi 14   and name HA  )  4.00  2.20  2.00
assi (resi 1    and name HB1 ) (resi 15   and name HA  )  4.00  2.20  1.00
assi (resi 1    and name HB2 ) (resi 15   and name HA  )  4.00  2.20  1.00
assi (resi 1    and name HB1 ) (resi 15   and name HN  )  4.00  2.20  1.00
assi (resi 1    and name HB2 ) (resi 15   and name HN  )  4.00  2.20  1.00
assi (resi 1    and name HB1 ) (resi 16   and name HN  )  4.00  2.20  1.00

! residue 2    Gly , intraresidue NOEs
assi (resi 2    and name HN  ) (resi 2    and name HA1 )  3.00  1.20  0.30
! trivial: assi (resi 2    and name HN  ) (resi 2    and name HA2 )  4.00  2.20  1.00

! residue 2    Gly , NOEs forward in sequence
assi (resi 2    and name HA1 ) (resi 3    and name HN  )  4.00  2.20  1.00
assi (resi 2    and name HA2 ) (resi 3    and name HN  )  3.00  1.20  0.30
assi (resi 2    and name HN  ) (resi 6    and name HB# )  4.00  2.20  2.00
assi (resi 2    and name HA1 ) (resi 6    and name HB# )  3.00  1.20  0.30
assi (resi 2    and name HA2 ) (resi 6    and name HB# )  3.00  1.20  0.30
assi (resi 2    and name HN  ) (resi 8    and name HA  )  3.00  1.20  0.30
assi (resi 2    and name HA1 ) (resi 8    and name HA  )  4.00  2.20  1.00
assi (resi 2    and name HN  ) (resi 14   and name HA  )  3.00  1.20  0.30
assi (resi 2    and name HA1 ) (resi 14   and name HA  )  4.00  2.20  1.00
assi (resi 2    and name HN  ) (resi 15   and name HN  )  4.00  2.20  1.00
assi (resi 2    and name HA1 ) (resi 15   and name HN  )  4.00  2.20  1.00
assi (resi 2    and name HA2 ) (resi 15   and name HN  )  4.00  2.20  2.00

! residue 3    Ser , intraresidue NOEs
! trivial: assi (resi 3    and name HN  ) (resi 3    and name HA  )  4.00  2.20  1.00
assi (resi 3    and name HN  ) (resi 3    and name HB1 )  4.00  2.20  1.00
assi (resi 3    and name HN  ) (resi 3    and name HB2 )  4.00  2.20  1.00
assi (resi 3    and name HA  ) (resi 3    and name HB1 )  3.00  1.20  0.30
assi (resi 3    and name HA  ) (resi 3    and name HB2 )  3.00  1.20  0.30

! residue 3    Ser , NOEs forward in sequence
assi (resi 3    and name HN  ) (resi 4    and name HN  )  4.00  2.20  2.00
assi (resi 3    and name HA  ) (resi 4    and name HN  )  4.00  2.20  1.00
assi (resi 3    and name HB1 ) (resi 4    and name HN  )  3.00  1.20  0.30
assi (resi 3    and name HB2 ) (resi 4    and name HN  )  3.00  1.20  0.30
assi (resi 3    and name HN  ) (resi 6    and name HB# )  2.50  0.70  0.20
assi (resi 3    and name HA  ) (resi 6    and name HB# )  4.00  2.20  2.00
assi (resi 3    and name HA  ) (resi 14   and name HA  )  4.00  2.20  2.00
assi (resi 3    and name HA  ) (resi 15   and name HN  )  4.00  2.20  1.00
assi (resi 3    and name HA  ) (resi 18   and name HD# )  4.00  2.20  1.00
assi (resi 3    and name HB1 ) (resi 18   and name HD# )  4.00  2.20  2.00
assi (resi 3    and name HB2 ) (resi 18   and name HD# )  4.00  2.20  2.00
assi (resi 3    and name HB1 ) (resi 18   and name HE# )  4.00  2.20  2.00
assi (resi 3    and name HB2 ) (resi 18   and name HE# )  4.00  2.20  2.00

! residue 4    Lys , 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 HB1 )  3.00  1.20  0.30
assi (resi 4    and name HN  ) (resi 4    and name HB2 )  3.00  1.20  0.30
assi (resi 4    and name HN  ) (resi 4    and name HG1 )  4.00  2.20  1.00
assi (resi 4    and name HN  ) (resi 4    and name HG2 )  4.00  2.20  1.00
assi (resi 4    and name HN  ) (resi 4    and name HD# )  4.00  2.20  1.00
! trivial: assi (resi 4    and name HA  ) (resi 4    and name HB1 )  4.00  2.20  1.00
assi (resi 4    and name HA  ) (resi 4    and name HB2 )  3.00  1.20  0.30
assi (resi 4    and name HA  ) (resi 4    and name HG2 )  4.00  2.20  1.00

! residue 4    Lys , 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 HA  ) (resi 5    and name HN  )  2.50  0.70  0.20
assi (resi 4    and name HB1 ) (resi 5    and name HN  )  4.00  2.20  1.00
assi (resi 4    and name HB2 ) (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  1.00
assi (resi 4    and name HA  ) (resi 6    and name HN  )  4.00  2.20  1.00
assi (resi 4    and name HN  ) (resi 18   and name HE# )  3.00  1.20  0.30
assi (resi 4    and name HA  ) (resi 18   and name HE# )  4.00  2.20  1.00
assi (resi 4    and name HB1 ) (resi 18   and name HE# )  4.00  2.20  1.00
assi (resi 4    and name HB2 ) (resi 18   and name HE# )  4.00  2.20  1.00
assi (resi 4    and name HG2 ) (resi 18   and name HE# )  4.00  2.20  1.00
assi (resi 4    and name HD# ) (resi 18   and name HE# )  4.00  2.20  1.00
assi (resi 4    and name HA  ) (resi 32   and name HA  )  4.00  2.20  1.00

! residue 5    Arg , 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 HB1 )  4.00  2.20  1.00
assi (resi 5    and name HN  ) (resi 5    and name HB2 )  4.00  2.20  1.00
assi (resi 5    and name HN  ) (resi 5    and name HG1 )  4.00  2.20  1.00
assi (resi 5    and name HN  ) (resi 5    and name HG2 )  4.00  2.20  1.00
assi (resi 5    and name HA  ) (resi 5    and name HB1 )  3.00  1.20  0.30
! trivial: assi (resi 5    and name HA  ) (resi 5    and name HB2 )  4.00  2.20  1.00
assi (resi 5    and name HA  ) (resi 5    and name HG1 )  4.00  2.20  1.00
assi (resi 5    and name HA  ) (resi 5    and name HG2 )  4.00  2.20  1.00
assi (resi 5    and name HA  ) (resi 5    and name HD# )  4.00  2.20  1.00
assi (resi 5    and name HB1 ) (resi 5    and name HE  )  4.00  2.20  1.00
assi (resi 5    and name HB1 ) (resi 5    and name HD# )  4.00  2.20  1.00
assi (resi 5    and name HB2 ) (resi 5    and name HE  )  4.00  2.20  1.00
assi (resi 5    and name HB2 ) (resi 5    and name HD# )  4.00  2.20  1.00

! residue 5    Arg , NOEs forward in sequence
assi (resi 5    and name HN  ) (resi 6    and name HN  )  3.00  1.20  0.30
assi (resi 5    and name HN  ) (resi 6    and name HB# )  4.00  2.20  2.00
assi (resi 5    and name HA  ) (resi 6    and name HN  )  4.00  2.20  1.00
assi (resi 5    and name HB1 ) (resi 6    and name HN  )  4.00  2.20  1.00
assi (resi 5    and name HB2 ) (resi 6    and name HN  )  4.00  2.20  1.00
assi (resi 5    and name HN  ) (resi 18   and name HD# )  4.00  2.20  2.00
assi (resi 5    and name HN  ) (resi 31   and name HN  )  4.00  2.20  1.00
assi (resi 5    and name HN  ) (resi 32   and name HA  )  4.00  2.20  1.00

! residue 6    Ala , intraresidue NOEs
assi (resi 6    and name HN  ) (resi 6    and name HB# )  3.00  1.20  0.30
! trivial: assi (resi 6    and name HA  ) (resi 6    and name HB# )  2.50  0.70  0.20

! residue 6    Ala , NOEs forward in sequence
assi (resi 6    and name HA  ) (resi 7    and name HN  )  2.50  0.70  0.20
assi (resi 6    and name HB# ) (resi 7    and name HN  )  3.00  1.20  0.30
assi (resi 6    and name HB# ) (resi 7    and name HB# )  4.00  2.20  2.00
assi (resi 6    and name HN  ) (resi 30   and name HB1 )  4.00  2.20  1.00
assi (resi 6    and name HN  ) (resi 30   and name HB2 )  4.00  2.20  1.00
assi (resi 6    and name HN  ) (resi 31   and name HN  )  4.00  2.20  1.00
assi (resi 6    and name HN  ) (resi 31   and name HB1 )  4.00  2.20  2.00
assi (resi 6    and name HN  ) (resi 31   and name HB2 )  4.00  2.20  2.00
assi (resi 6    and name HB# ) (resi 31   and name HN  )  4.00  2.20  1.00
assi (resi 6    and name HB# ) (resi 31   and name HB1 )  4.00  2.20  1.00
assi (resi 6    and name HB# ) (resi 31   and name HB2 )  4.00  2.20  1.00

! residue 7    Trp , intraresidue NOEs
assi (resi 7    and name HN  ) (resi 7    and name HA  )  3.00  1.20  0.30
assi (resi 7    and name HN  ) (resi 7    and name HD1 )  4.00  2.20  1.00
assi (resi 7    and name HN  ) (resi 7    and name HB# )  2.50  0.70  0.20
assi (resi 7    and name HA  ) (resi 7    and name HD1 )  4.00  2.20  1.00
assi (resi 7    and name HD1 ) (resi 7    and name HB# )  3.00  1.20  0.30
! trivial: assi (resi 7    and name HE1 ) (resi 7    and name HZ2 )  4.00  2.20  1.00

! residue 7    Trp , NOEs forward in sequence
assi (resi 7    and name HN  ) (resi 8    and name HN  )  4.00  2.20  1.00
assi (resi 7    and name HA  ) (resi 8    and name HN  )  2.50  0.70  0.20
assi (resi 7    and name HE1 ) (resi 8    and name HN  )  4.00  2.20  1.00
assi (resi 7    and name HZ2 ) (resi 9    and name HB1 )  4.00  2.20  1.00
assi (resi 7    and name HZ2 ) (resi 9    and name HB2 )  4.00  2.20  1.00
assi (resi 7    and name HZ2 ) (resi 9    and name HG# )  4.00  2.20  2.00
assi (resi 7    and name HD1 ) (resi 28   and name HB1 )  4.00  2.20  2.00
assi (resi 7    and name HD1 ) (resi 28   and name HB2 )  4.00  2.20  1.00
assi (resi 7    and name HD1 ) (resi 28   and name HG# )  4.00  2.20  2.00
assi (resi 7    and name HA  ) (resi 29   and name HB1 )  4.00  2.20  1.00
assi (resi 7    and name HA  ) (resi 29   and name HB2 )  4.00  2.20  1.00
assi (resi 7    and name HA  ) (resi 31   and name HN  )  4.00  2.20  1.00

! residue 8    Cys , intraresidue NOEs
! trivial: assi (resi 8    and name HN  ) (resi 8    and name HA  )  4.00  2.20  1.00
assi (resi 8    and name HN  ) (resi 8    and name HB1 )  4.00  2.20  1.00
assi (resi 8    and name HN  ) (resi 8    and name HB2 )  4.00  2.20  1.00
assi (resi 8    and name HA  ) (resi 8    and name HB1 )  3.00  1.20  0.30
assi (resi 8    and name HA  ) (resi 8    and name HB2 )  3.00  1.20  0.30

! residue 8    Cys , NOEs forward in sequence
assi (resi 8    and name HN  ) (resi 9    and name HN  )  4.00  2.20  2.00
assi (resi 8    and name HA  ) (resi 9    and name HN  )  2.50  0.70  0.20
assi (resi 8    and name HB1 ) (resi 9    and name HN  )  4.00  2.20  1.00
assi (resi 8    and name HB2 ) (resi 9    and name HN  )  4.00  2.20  1.00
assi (resi 8    and name HB2 ) (resi 10   and name HN  )  4.00  2.20  1.00
assi (resi 8    and name HA  ) (resi 13   and name HB1 )  4.00  2.20  1.00
assi (resi 8    and name HA  ) (resi 13   and name HB2 )  4.00  2.20  1.00
assi (resi 8    and name HA  ) (resi 15   and name HN  )  4.00  2.20  2.00
assi (resi 8    and name HN  ) (resi 29   and name HA  )  4.00  2.20  1.00
assi (resi 8    and name HN  ) (resi 29   and name HB1 )  4.00  2.20  2.00
assi (resi 8    and name HN  ) (resi 30   and name HA  )  4.00  2.20  1.00
assi (resi 8    and name HN  ) (resi 31   and name HN  )  4.00  2.20  2.00

! residue 9    Lys , intraresidue NOEs
! trivial: assi (resi 9    and name HN  ) (resi 9    and name HA  )  4.00  2.20  1.00
assi (resi 9    and name HN  ) (resi 9    and name HB1 )  3.00  1.20  0.30
assi (resi 9    and name HN  ) (resi 9    and name HB2 )  3.00  1.20  0.30
assi (resi 9    and name HN  ) (resi 9    and name HG# )  4.00  2.20  1.00

! residue 9    Lys , NOEs forward in sequence
assi (resi 9    and name HN  ) (resi 10   and name HN  )  2.50  0.70  0.20
assi (resi 9    and name HA  ) (resi 10   and name HN  )  4.00  2.20  1.00
assi (resi 9    and name HB1 ) (resi 10   and name HN  )  3.00  1.20  0.30
assi (resi 9    and name HB2 ) (resi 10   and name HN  )  4.00  2.20  1.00
assi (resi 9    and name HG# ) (resi 10   and name HG# )  4.00  2.20  1.00
assi (resi 9    and name HN  ) (resi 13   and name HN  )  4.00  2.20  1.00
assi (resi 9    and name HN  ) (resi 13   and name HB1 )  4.00  2.20  1.00
assi (resi 9    and name HN  ) (resi 13   and name HB2 )  4.00  2.20  1.00

! residue 10   Glu , intraresidue NOEs
! trivial: assi (resi 10   and name HN  ) (resi 10   and name HA  )  4.00  2.20  1.00
assi (resi 10   and name HN  ) (resi 10   and name HB1 )  4.00  2.20  1.00
assi (resi 10   and name HN  ) (resi 10   and name HB2 )  4.00  2.20  1.00
assi (resi 10   and name HN  ) (resi 10   and name HG# )  4.00  2.20  1.00
! trivial: assi (resi 10   and name HA  ) (resi 10   and name HB1 )  4.00  2.20  1.00
assi (resi 10   and name HA  ) (resi 10   and name HB2 )  3.00  1.20  0.30

! residue 10   Glu , NOEs forward in sequence
assi (resi 10   and name HN  ) (resi 11   and name HN  )  4.00  2.20  1.00
assi (resi 10   and name HA  ) (resi 11   and name HN  )  2.50  0.70  0.20
assi (resi 10   and name HB1 ) (resi 11   and name HN  )  3.00  1.20  0.30
assi (resi 10   and name HB2 ) (resi 11   and name HN  )  3.00  1.20  0.30
assi (resi 10   and name HB2 ) (resi 12   and name HN  )  4.00  2.20  1.00
assi (resi 10   and name HG# ) (resi 12   and name HN  )  4.00  2.20  1.00
assi (resi 10   and name HN  ) (resi 13   and name HB1 )  3.00  1.20  0.30
assi (resi 10   and name HN  ) (resi 13   and name HB2 )  4.00  2.20  1.00
assi (resi 10   and name HB1 ) (resi 13   and name HN  )  4.00  2.20  1.00
assi (resi 10   and name HB2 ) (resi 13   and name HN  )  4.00  2.20  1.00
assi (resi 10   and name HG# ) (resi 13   and name HN  )  4.00  2.20  1.00
assi (resi 10   and name HA  ) (resi 20   and name HB1 )  4.00  2.20  1.00
assi (resi 10   and name HA  ) (resi 20   and name HB2 )  4.00  2.20  1.00

! residue 11   Lys , intraresidue NOEs
assi (resi 11   and name HN  ) (resi 11   and name HB1 )  2.50  0.70  0.20
assi (resi 11   and name HN  ) (resi 11   and name HB2 )  3.00  1.20  0.30
! trivial: assi (resi 11   and name HA  ) (resi 11   and name HB1 )  4.00  2.20  1.00
assi (resi 11   and name HA  ) (resi 11   and name HB2 )  3.00  1.20  0.30

! residue 11   Lys , NOEs forward in sequence
assi (resi 11   and name HN  ) (resi 12   and name HN  )  3.00  1.20  0.30
assi (resi 11   and name HB2 ) (resi 12   and name HN  )  4.00  2.20  1.00
assi (resi 11   and name HN  ) (resi 13   and name HN  )  4.00  2.20  2.00
assi (resi 11   and name HA  ) (resi 13   and name HN  )  4.00  2.20  1.00
assi (resi 11   and name HA  ) (resi 19   and name HA  )  4.00  2.20  1.00
assi (resi 11   and name HA  ) (resi 20   and name HN  )  4.00  2.20  1.00
assi (resi 11   and name HA  ) (resi 20   and name HA  )  4.00  2.20  1.00
assi (resi 11   and name HA  ) (resi 20   and name HB1 )  3.00  1.20  0.30
assi (resi 11   and name HA  ) (resi 20   and name HB2 )  4.00  2.20  1.00
assi (resi 11   and name HB2 ) (resi 20   and name HN  )  4.00  2.20  1.00

! residue 12   Lys , intraresidue NOEs
assi (resi 12   and name HN  ) (resi 12   and name HA  )  3.00  1.20  0.30
assi (resi 12   and name HN  ) (resi 12   and name HB1 )  3.00  1.20  0.30
assi (resi 12   and name HN  ) (resi 12   and name HB2 )  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 )  2.50  0.70  0.20

! residue 12   Lys , NOEs forward in sequence
assi (resi 12   and name HN  ) (resi 13   and name HN  )  3.00  1.20  0.30
assi (resi 12   and name HA  ) (resi 13   and name HN  )  4.00  2.20  1.00
assi (resi 12   and name HB1 ) (resi 13   and name HN  )  4.00  2.20  1.00
assi (resi 12   and name HB2 ) (resi 13   and name HN  )  4.00  2.20  1.00

! residue 13   Asp , 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 HB1 )  3.00  1.20  0.30
assi (resi 13   and name HN  ) (resi 13   and name HB2 )  4.00  2.20  1.00

! residue 13   Asp , NOEs forward in sequence
assi (resi 13   and name HN  ) (resi 14   and name HN  )  3.00  1.20  0.30
assi (resi 13   and name HA  ) (resi 14   and name HN  )  4.00  2.20  1.00
assi (resi 13   and name HB1 ) (resi 14   and name HN  )  4.00  2.20  1.00
assi (resi 13   and name HB1 ) (resi 14   and name HA  )  4.00  2.20  1.00
assi (resi 13   and name HB2 ) (resi 14   and name HN  )  4.00  2.20  1.00

! residue 14   Cys , 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 HB1 )  3.00  1.20  0.30
assi (resi 14   and name HN  ) (resi 14   and name HB2 )  3.00  1.20  0.30
! trivial: assi (resi 14   and name HA  ) (resi 14   and name HB1 )  4.00  2.20  1.00
! trivial: assi (resi 14   and name HA  ) (resi 14   and name HB2 )  4.00  2.20  1.00

! residue 14   Cys , 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 HB1 ) (resi 15   and name HN  )  4.00  2.20  1.00
assi (resi 14   and name HB2 ) (resi 15   and name HN  )  4.00  2.20  1.00
assi (resi 14   and name HB1 ) (resi 18   and name HN  )  4.00  2.20  2.00
assi (resi 14   and name HB1 ) (resi 18   and name HB2 )  4.00  2.20  1.00
assi (resi 14   and name HB2 ) (resi 18   and name HN  )  4.00  2.20  2.00
assi (resi 14   and name HB2 ) (resi 18   and name HB1 )  4.00  2.20  1.00
assi (resi 14   and name HB2 ) (resi 18   and name HD# )  4.00  2.20  2.00
assi (resi 14   and name HB2 ) (resi 31   and name HB1 )  4.00  2.20  1.00

! residue 15   Cys , intraresidue NOEs
! trivial: assi (resi 15   and name HN  ) (resi 15   and name HA  )  4.00  2.20  1.00
assi (resi 15   and name HN  ) (resi 15   and name HB1 )  3.00  1.20  0.30
assi (resi 15   and name HN  ) (resi 15   and name HB2 )  4.00  2.20  1.00
assi (resi 15   and name HA  ) (resi 15   and name HB1 )  3.00  1.20  0.30
assi (resi 15   and name HA  ) (resi 15   and name HB2 )  3.00  1.20  0.30

! residue 15   Cys , 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 HA  ) (resi 16   and name HN  )  2.50  0.70  0.20
assi (resi 15   and name HB1 ) (resi 16   and name HN  )  4.00  2.20  1.00
assi (resi 15   and name HB2 ) (resi 16   and name HN  )  3.00  1.20  0.30
assi (resi 15   and name HN  ) (resi 18   and name HB1 )  4.00  2.20  1.00
assi (resi 15   and name HN  ) (resi 18   and name HB2 )  4.00  2.20  1.00
assi (resi 15   and name HN  ) (resi 18   and name HD# )  4.00  2.20  1.00
assi (resi 15   and name HB1 ) (resi 18   and name HD# )  4.00  2.20  1.00
assi (resi 15   and name HB1 ) (resi 18   and name HE# )  4.00  2.20  1.00
assi (resi 15   and name HB2 ) (resi 18   and name HD# )  4.00  2.20  2.00
assi (resi 15   and name HB2 ) (resi 18   and name HE# )  4.00  2.20  2.00

! residue 16   Cys , intraresidue NOEs
! trivial: assi (resi 16   and name HN  ) (resi 16   and name HA  )  4.00  2.20  1.00
assi (resi 16   and name HN  ) (resi 16   and name HB1 )  3.00  1.20  0.30
assi (resi 16   and name HN  ) (resi 16   and name HB2 )  3.00  1.20  0.30
assi (resi 16   and name HA  ) (resi 16   and name HB1 )  4.00  2.20  1.00
assi (resi 16   and name HA  ) (resi 16   and name HB2 )  4.00  2.20  1.00

! residue 16   Cys , NOEs forward in sequence
assi (resi 16   and name HN  ) (resi 17   and name HN  )  4.00  2.20  1.00
assi (resi 16   and name HA  ) (resi 17   and name HN  )  2.50  0.70  0.20
assi (resi 16   and name HB1 ) (resi 17   and name HN  )  4.00  2.20  1.00
assi (resi 16   and name HB2 ) (resi 17   and name HN  )  4.00  2.20  1.00
assi (resi 16   and name HN  ) (resi 18   and name HD# )  4.00  2.20  2.00
assi (resi 16   and name HA  ) (resi 18   and name HN  )  4.00  2.20  1.00
assi (resi 16   and name HA  ) (resi 43   and name HB2 )  4.00  2.20  1.00
assi (resi 16   and name HB1 ) (resi 43   and name HB2 )  4.00  2.20  1.00

! residue 17   Gly , intraresidue NOEs
assi (resi 17   and name HN  ) (resi 17   and name HA1 )  3.00  1.20  0.30
! trivial: assi (resi 17   and name HN  ) (resi 17   and name HA2 )  4.00  2.20  1.00
! trivial: assi (resi 17   and name HA1 ) (resi 17   and name HA2 )  2.50  0.70  0.20

! residue 17   Gly , NOEs forward in sequence
assi (resi 17   and name HN  ) (resi 18   and name HN  )  2.50  0.70  0.20
assi (resi 17   and name HA1 ) (resi 18   and name HN  )  4.00  2.20  1.00
assi (resi 17   and name HA1 ) (resi 18   and name HD# )  4.00  2.20  1.00
assi (resi 17   and name HA2 ) (resi 18   and name HN  )  4.00  2.20  1.00
assi (resi 17   and name HA2 ) (resi 18   and name HD# )  4.00  2.20  1.00
assi (resi 17   and name HN  ) (resi 43   and name HA  )  4.00  2.20  1.00
assi (resi 17   and name HN  ) (resi 43   and name HB1 )  4.00  2.20  1.00
assi (resi 17   and name HN  ) (resi 43   and name HB2 )  4.00  2.20  1.00

! residue 18   Tyr , intraresidue NOEs
! trivial: assi (resi 18   and name HN  ) (resi 18   and name HA  )  4.00  2.20  1.00
assi (resi 18   and name HN  ) (resi 18   and name HB1 )  4.00  2.20  1.00
assi (resi 18   and name HN  ) (resi 18   and name HB2 )  3.00  1.20  0.30
assi (resi 18   and name HN  ) (resi 18   and name HD# )  4.00  2.20  1.00
! trivial: assi (resi 18   and name HA  ) (resi 18   and name HB1 )  4.00  2.20  1.00
assi (resi 18   and name HB1 ) (resi 18   and name HD# )  4.00  2.20  2.00
assi (resi 18   and name HB2 ) (resi 18   and name HD# )  4.00  2.20  2.00

! residue 18   Tyr , 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  )  2.50  0.70  0.20
assi (resi 18   and name HB1 ) (resi 19   and name HN  )  4.00  2.20  1.00
assi (resi 18   and name HB2 ) (resi 19   and name HN  )  4.00  2.20  1.00
assi (resi 18   and name HD# ) (resi 19   and name HN  )  4.00  2.20  1.00
assi (resi 18   and name HN  ) (resi 31   and name HB1 )  4.00  2.20  2.00
assi (resi 18   and name HB1 ) (resi 31   and name HA  )  4.00  2.20  1.00
assi (resi 18   and name HB2 ) (resi 31   and name HB1 )  4.00  2.20  1.00
assi (resi 18   and name HD# ) (resi 31   and name HB1 )  4.00  2.20  1.00
assi (resi 18   and name HD# ) (resi 31   and name HB2 )  4.00  2.20  1.00
assi (resi 18   and name HA  ) (resi 32   and name HN  )  4.00  2.20  1.00
assi (resi 18   and name HB2 ) (resi 32   and name HN  )  4.00  2.20  1.00
assi (resi 18   and name HD# ) (resi 32   and name HN  )  4.00  2.20  1.00
assi (resi 18   and name HD# ) (resi 32   and name HA  )  4.00  2.20  1.00
assi (resi 18   and name HE# ) (resi 32   and name HA  )  4.00  2.20  1.00
assi (resi 18   and name HA  ) (resi 33   and name HA  )  4.00  2.20  1.00
assi (resi 18   and name HD# ) (resi 33   and name HN  )  4.00  2.20  1.00
assi (resi 18   and name HD# ) (resi 33   and name HA  )  4.00  2.20  1.00
assi (resi 18   and name HD# ) (resi 33   and name HB1 )  4.00  2.20  1.00
assi (resi 18   and name HD# ) (resi 33   and name HB2 )  4.00  2.20  1.00
assi (resi 18   and name HE# ) (resi 33   and name HN  )  4.00  2.20  1.00
assi (resi 18   and name HE# ) (resi 33   and name HB1 )  4.00  2.20  1.00
assi (resi 18   and name HE# ) (resi 33   and name HB2 )  4.00  2.20  1.00
assi (resi 18   and name HN  ) (resi 43   and name HB1 )  4.00  2.20  1.00

! residue 19   Asn , intraresidue NOEs
! trivial: assi (resi 19   and name HN  ) (resi 19   and name HA  )  4.00  2.20  1.00
assi (resi 19   and name HN  ) (resi 19   and name HB1 )  4.00  2.20  1.00
assi (resi 19   and name HN  ) (resi 19   and name HB2 )  4.00  2.20  1.00
! trivial: assi (resi 19   and name HA  ) (resi 19   and name HB1 )  4.00  2.20  1.00
assi (resi 19   and name HA  ) (resi 19   and name HB2 )  3.00  1.20  0.30
assi (resi 19   and name HB1 ) (resi 19   and name HD21)  4.00  2.20  1.00
assi (resi 19   and name HB1 ) (resi 19   and name HD22)  4.00  2.20  1.00
assi (resi 19   and name HB2 ) (resi 19   and name HD22)  4.00  2.20  1.00

! residue 19   Asn , NOEs forward in sequence
assi (resi 19   and name HN  ) (resi 20   and name HN  )  4.00  2.20  1.00
assi (resi 19   and name HA  ) (resi 20   and name HN  )  2.50  0.70  0.20
assi (resi 19   and name HB1 ) (resi 20   and name HN  )  4.00  2.20  1.00
assi (resi 19   and name HB1 ) (resi 21   and name HG# )  4.00  2.20  2.00
assi (resi 19   and name HB2 ) (resi 21   and name HG# )  4.00  2.20  2.00
assi (resi 19   and name HD21) (resi 21   and name HA  )  4.00  2.20  1.00
assi (resi 19   and name HD21) (resi 21   and name HG# )  4.00  2.20  1.00
assi (resi 19   and name HD22) (resi 21   and name HG# )  4.00  2.20  1.00
assi (resi 19   and name HN  ) (resi 32   and name HN  )  4.00  2.20  1.00
assi (resi 19   and name HN  ) (resi 34   and name HG# )  4.00  2.20  1.00
assi (resi 19   and name HB1 ) (resi 34   and name HG# )  4.00  2.20  1.00
assi (resi 19   and name HB2 ) (resi 34   and name HG# )  4.00  2.20  2.00
assi (resi 19   and name HD21) (resi 34   and name HG# )  4.00  2.20  1.00
assi (resi 19   and name HD21) (resi 34   and name HD# )  4.00  2.20  1.00
assi (resi 19   and name HD22) (resi 34   and name HG# )  4.00  2.20  1.00

! residue 20   Cys , intraresidue NOEs
! trivial: assi (resi 20   and name HN  ) (resi 20   and name HA  )  4.00  2.20  1.00
assi (resi 20   and name HN  ) (resi 20   and name HB1 )  3.00  1.20  0.30
assi (resi 20   and name HN  ) (resi 20   and name HB2 )  3.00  1.20  0.30
assi (resi 20   and name HA  ) (resi 20   and name HB1 )  3.00  1.20  0.30
! trivial: assi (resi 20   and name HA  ) (resi 20   and name HB2 )  4.00  2.20  1.00

! residue 20   Cys , 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 HG# )  4.00  2.20  2.00
assi (resi 20   and name HA  ) (resi 21   and name HN  )  2.50  0.70  0.20
assi (resi 20   and name HA  ) (resi 21   and name HB  )  4.00  2.20  1.00
assi (resi 20   and name HA  ) (resi 21   and name HG# )  4.00  2.20  1.00
assi (resi 20   and name HB1 ) (resi 21   and name HN  )  4.00  2.20  1.00
assi (resi 20   and name HB2 ) (resi 21   and name HN  )  4.00  2.20  1.00
assi (resi 20   and name HA  ) (resi 30   and name HN  )  4.00  2.20  1.00
assi (resi 20   and name HA  ) (resi 31   and name HA  )  4.00  2.20  1.00
assi (resi 20   and name HA  ) (resi 31   and name HB1 )  4.00  2.20  1.00
assi (resi 20   and name HA  ) (resi 31   and name HB2 )  4.00  2.20  2.00
assi (resi 20   and name HA  ) (resi 32   and name HN  )  4.00  2.20  1.00

! residue 21   Val , intraresidue NOEs
! trivial: assi (resi 21   and name HN  ) (resi 21   and name HA  )  4.00  2.20  1.00
assi (resi 21   and name HN  ) (resi 21   and name HB  )  3.00  1.20  0.30
assi (resi 21   and name HN  ) (resi 21   and name HG# )  4.00  2.20  1.00
assi (resi 21   and name HA  ) (resi 21   and name HG# )  4.00  2.20  1.00
! trivial: assi (resi 21   and name HB  ) (resi 21   and name HG# )  2.50  0.70  0.20

! residue 21   Val , NOEs forward in sequence
assi (resi 21   and name HA  ) (resi 22   and name HN  )  2.50  0.70  0.20
assi (resi 21   and name HA  ) (resi 22   and name HB1 )  4.00  2.20  1.00
assi (resi 21   and name HB  ) (resi 22   and name HN  )  4.00  2.20  1.00
assi (resi 21   and name HG# ) (resi 22   and name HN  )  4.00  2.20  1.00
assi (resi 21   and name HG# ) (resi 22   and name HB1 )  4.00  2.20  2.00
assi (resi 21   and name HG# ) (resi 22   and name HB2 )  4.00  2.20  2.00
assi (resi 21   and name HN  ) (resi 30   and name HN  )  4.00  2.20  1.00
assi (resi 21   and name HB  ) (resi 30   and name HN  )  4.00  2.20  1.00
assi (resi 21   and name HG# ) (resi 30   and name HN  )  4.00  2.20  1.00
assi (resi 21   and name HN  ) (resi 31   and name HA  )  4.00  2.20  1.00
assi (resi 21   and name HG# ) (resi 32   and name HN  )  4.00  2.20  1.00
assi (resi 21   and name HG# ) (resi 32   and name HG1 )  4.00  2.20  1.00
assi (resi 21   and name HG# ) (resi 32   and name HG2 )  4.00  2.20  1.00
assi (resi 21   and name HG# ) (resi 32   and name HB# )  4.00  2.20  1.00

! residue 22   Tyr , 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 HB1 )  3.00  1.20  0.30
assi (resi 22   and name HN  ) (resi 22   and name HB2 )  4.00  2.20  1.00
assi (resi 22   and name HN  ) (resi 22   and name HD# )  4.00  2.20  1.00
assi (resi 22   and name HA  ) (resi 22   and name HD# )  3.00  1.20  0.30
assi (resi 22   and name HB1 ) (resi 22   and name HD# )  3.00  1.20  0.30
assi (resi 22   and name HB1 ) (resi 22   and name HE# )  4.00  2.20  1.00
assi (resi 22   and name HB2 ) (resi 22   and name HD# )  3.00  1.20  0.30
assi (resi 22   and name HB2 ) (resi 22   and name HE# )  4.00  2.20  1.00

! residue 22   Tyr , NOEs forward in sequence
assi (resi 22   and name HN  ) (resi 23   and name HN  )  4.00  2.20  1.00
assi (resi 22   and name HA  ) (resi 23   and name HN  )  3.00  1.20  0.30
assi (resi 22   and name HB1 ) (resi 23   and name HN  )  4.00  2.20  1.00
assi (resi 22   and name HB2 ) (resi 23   and name HN  )  4.00  2.20  1.00
assi (resi 22   and name HD# ) (resi 23   and name HN  )  4.00  2.20  1.00
assi (resi 22   and name HD# ) (resi 23   and name HA  )  4.00  2.20  1.00
assi (resi 22   and name HD# ) (resi 24   and name HN  )  4.00  2.20  2.00
assi (resi 22   and name HD# ) (resi 24   and name HA  )  4.00  2.20  2.00
assi (resi 22   and name HE# ) (resi 24   and name HN  )  4.00  2.20  2.00
assi (resi 22   and name HD# ) (resi 27   and name HA  )  4.00  2.20  1.00
assi (resi 22   and name HE# ) (resi 27   and name HN  )  4.00  2.20  1.00
assi (resi 22   and name HN  ) (resi 29   and name HA  )  4.00  2.20  1.00
assi (resi 22   and name HA  ) (resi 29   and name HA  )  4.00  2.20  1.00
assi (resi 22   and name HD# ) (resi 29   and name HA  )  4.00  2.20  1.00
assi (resi 22   and name HD# ) (resi 29   and name HB1 )  4.00  2.20  1.00
assi (resi 22   and name HA  ) (resi 30   and name HN  )  4.00  2.20  1.00

! residue 23   Ala , 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# )  3.00  1.20  0.30
! trivial: assi (resi 23   and name HA  ) (resi 23   and name HB# )  2.50  0.70  0.20

! residue 23   Ala , NOEs forward in sequence
assi (resi 23   and name HA  ) (resi 24   and name HN  )  2.50  0.70  0.20
assi (resi 23   and name HA  ) (resi 24   and name HD1 )  4.00  2.20  2.00
assi (resi 23   and name HB# ) (resi 24   and name HN  )  4.00  2.20  1.00
assi (resi 23   and name HB# ) (resi 24   and name HD1 )  4.00  2.20  1.00
assi (resi 23   and name HB# ) (resi 25   and name HN  )  4.00  2.20  1.00
assi (resi 23   and name HN  ) (resi 28   and name HN  )  4.00  2.20  1.00
assi (resi 23   and name HB# ) (resi 28   and name HN  )  4.00  2.20  1.00
assi (resi 23   and name HB# ) (resi 28   and name HB1 )  4.00  2.20  1.00
assi (resi 23   and name HB# ) (resi 28   and name HB2 )  4.00  2.20  1.00
assi (resi 23   and name HB# ) (resi 28   and name HG# )  4.00  2.20  1.00
assi (resi 23   and name HN  ) (resi 29   and name HA  )  4.00  2.20  1.00
assi (resi 23   and name HN  ) (resi 30   and name HN  )  4.00  2.20  1.00

! residue 24   Trp , 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 HB1 )  4.00  2.20  1.00
assi (resi 24   and name HN  ) (resi 24   and name HB2 )  4.00  2.20  1.00
assi (resi 24   and name HN  ) (resi 24   and name HD1 )  4.00  2.20  1.00
assi (resi 24   and name HA  ) (resi 24   and name HD1 )  4.00  2.20  1.00
assi (resi 24   and name HB1 ) (resi 24   and name HD1 )  4.00  2.20  1.00
assi (resi 24   and name HB2 ) (resi 24   and name HD1 )  4.00  2.20  1.00
! trivial: assi (resi 24   and name HD1 ) (resi 24   and name HE1 )  3.00  1.20  0.30
! trivial: assi (resi 24   and name HE1 ) (resi 24   and name HZ2 )  4.00  2.20  1.00

! residue 24   Trp , NOEs forward in sequence
assi (resi 24   and name HN  ) (resi 25   and name HN  )  4.00  2.20  1.00
assi (resi 24   and name HA  ) (resi 25   and name HN  )  4.00  2.20  1.00
assi (resi 24   and name HB1 ) (resi 25   and name HN  )  4.00  2.20  2.00
assi (resi 24   and name HB2 ) (resi 25   and name HN  )  4.00  2.20  2.00
assi (resi 24   and name HD1 ) (resi 25   and name HD# )  3.00  1.20  0.30
assi (resi 24   and name HE1 ) (resi 25   and name HD# )  4.00  2.20  1.00
assi (resi 24   and name HA  ) (resi 27   and name HN  )  4.00  2.20  1.00
assi (resi 24   and name HA  ) (resi 27   and name HE2#)  4.00  2.20  2.00
assi (resi 24   and name HB1 ) (resi 27   and name HE2#)  4.00  2.20  1.00
assi (resi 24   and name HB2 ) (resi 27   and name HE2#)  4.00  2.20  1.00

! residue 25   Tyr , intraresidue NOEs
! trivial: assi (resi 25   and name HN  ) (resi 25   and name HA  )  4.00  2.20  1.00
assi (resi 25   and name HN  ) (resi 25   and name HB1 )  4.00  2.20  1.00
assi (resi 25   and name HN  ) (resi 25   and name HB2 )  4.00  2.20  1.00
assi (resi 25   and name HN  ) (resi 25   and name HD# )  4.00  2.20  1.00
! trivial: assi (resi 25   and name HA  ) (resi 25   and name HB1 )  4.00  2.20  1.00
assi (resi 25   and name HA  ) (resi 25   and name HB2 )  3.00  1.20  0.30
assi (resi 25   and name HA  ) (resi 25   and name HD# )  4.00  2.20  1.00
assi (resi 25   and name HB1 ) (resi 25   and name HD# )  3.00  1.20  0.30
assi (resi 25   and name HB1 ) (resi 25   and name HE# )  4.00  2.20  1.00
assi (resi 25   and name HB2 ) (resi 25   and name HD# )  3.00  1.20  0.30
assi (resi 25   and name HB2 ) (resi 25   and name HE# )  4.00  2.20  1.00

! residue 25   Tyr , NOEs forward in sequence
assi (resi 25   and name HA  ) (resi 26   and name HN  )  4.00  2.20  1.00
assi (resi 25   and name HB1 ) (resi 26   and name HN  )  4.00  2.20  1.00
assi (resi 25   and name HD# ) (resi 26   and name HB1 )  4.00  2.20  1.00
assi (resi 25   and name HD# ) (resi 26   and name HD22)  4.00  2.20  1.00
assi (resi 25   and name HN  ) (resi 27   and name HN  )  4.00  2.20  2.00
assi (resi 25   and name HA  ) (resi 27   and name HN  )  4.00  2.20  1.00

! residue 26   Asn , intraresidue NOEs
! trivial: assi (resi 26   and name HN  ) (resi 26   and name HA  )  4.00  2.20  1.00
assi (resi 26   and name HA  ) (resi 26   and name HB1 )  3.00  1.20  0.30
assi (resi 26   and name HA  ) (resi 26   and name HD22)  4.00  2.20  1.00
assi (resi 26   and name HB1 ) (resi 26   and name HD21)  4.00  2.20  1.00
assi (resi 26   and name HB1 ) (resi 26   and name HD22)  4.00  2.20  1.00
assi (resi 26   and name HB2 ) (resi 26   and name HD21)  4.00  2.20  1.00
assi (resi 26   and name HB2 ) (resi 26   and name HD22)  4.00  2.20  1.00

! residue 26   Asn , 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  )  4.00  2.20  1.00
assi (resi 26   and name HB1 ) (resi 27   and name HN  )  4.00  2.20  1.00
assi (resi 26   and name HB2 ) (resi 27   and name HN  )  4.00  2.20  1.00
assi (resi 26   and name HD22) (resi 28   and name HB2 )  4.00  2.20  2.00

! residue 27   Gln , intraresidue NOEs
assi (resi 27   and name HN  ) (resi 27   and name HA  )  2.50  0.70  0.20
assi (resi 27   and name HN  ) (resi 27   and name HB1 )  4.00  2.20  1.00
assi (resi 27   and name HN  ) (resi 27   and name HB2 )  4.00  2.20  1.00
! trivial: assi (resi 27   and name HA  ) (resi 27   and name HB1 )  4.00  2.20  1.00
assi (resi 27   and name HA  ) (resi 27   and name HB2 )  4.00  2.20  1.00
assi (resi 27   and name HA  ) (resi 27   and name HG# )  4.00  2.20  1.00
assi (resi 27   and name HG# ) (resi 27   and name HE2#)  4.00  2.20  1.00
assi (resi 27   and name HA  ) (resi 27   and name HE2#)  4.00  2.20  2.00

! residue 27   Gln , NOEs forward in sequence
assi (resi 27   and name HN  ) (resi 28   and name HN  )  4.00  2.20  1.00
assi (resi 27   and name HA  ) (resi 28   and name HN  )  3.00  1.20  0.30
assi (resi 27   and name HB1 ) (resi 28   and name HN  )  4.00  2.20  1.00
assi (resi 27   and name HB2 ) (resi 28   and name HN  )  4.00  2.20  1.00
assi (resi 27   and name HG# ) (resi 28   and name HN  )  4.00  2.20  2.00

! residue 28   Gln , 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 HB1 )  4.00  2.20  1.00
assi (resi 28   and name HN  ) (resi 28   and name HB2 )  4.00  2.20  1.00
assi (resi 28   and name HN  ) (resi 28   and name HG# )  4.00  2.20  1.00
! trivial: assi (resi 28   and name HA  ) (resi 28   and name HB1 )  4.00  2.20  1.00
! trivial: assi (resi 28   and name HA  ) (resi 28   and name HB2 )  4.00  2.20  1.00
assi (resi 28   and name HA  ) (resi 28   and name HG# )  4.00  2.20  1.00

! residue 28   Gln , NOEs forward in sequence
assi (resi 28   and name HN  ) (resi 29   and name HN  )  4.00  2.20  2.00
assi (resi 28   and name HA  ) (resi 29   and name HN  )  2.50  0.70  0.20
assi (resi 28   and name HB1 ) (resi 29   and name HN  )  4.00  2.20  1.00
assi (resi 28   and name HB2 ) (resi 29   and name HN  )  4.00  2.20  1.00
assi (resi 28   and name HG# ) (resi 29   and name HN  )  4.00  2.20  1.00

! residue 29   Ser , intraresidue NOEs
! trivial: assi (resi 29   and name HN  ) (resi 29   and name HA  )  4.00  2.20  1.00
assi (resi 29   and name HN  ) (resi 29   and name HB1 )  4.00  2.20  1.00
assi (resi 29   and name HN  ) (resi 29   and name HB2 )  3.00  1.20  0.30
assi (resi 29   and name HA  ) (resi 29   and name HB1 )  3.00  1.20  0.30
assi (resi 29   and name HA  ) (resi 29   and name HB2 )  4.00  2.20  1.00

! residue 29   Ser , NOEs forward in sequence
assi (resi 29   and name HA  ) (resi 30   and name HN  )  2.50  0.70  0.20
assi (resi 29   and name HB1 ) (resi 30   and name HN  )  4.00  2.20  1.00
assi (resi 29   and name HB2 ) (resi 30   and name HN  )  4.00  2.20  1.00

! residue 30   Ser , intraresidue NOEs
assi (resi 30   and name HN  ) (resi 30   and name HA  )  2.50  0.70  0.20
assi (resi 30   and name HN  ) (resi 30   and name HB1 )  3.00  1.20  0.30
assi (resi 30   and name HN  ) (resi 30   and name HB2 )  4.00  2.20  1.00
assi (resi 30   and name HA  ) (resi 30   and name HB1 )  3.00  1.20  0.30
assi (resi 30   and name HA  ) (resi 30   and name HB2 )  4.00  2.20  1.00

! residue 30   Ser , NOEs forward in sequence
assi (resi 30   and name HN  ) (resi 31   and name HN  )  4.00  2.20  2.00
assi (resi 30   and name HA  ) (resi 31   and name HN  )  2.50  0.70  0.20
assi (resi 30   and name HB1 ) (resi 31   and name HN  )  4.00  2.20  1.00
assi (resi 30   and name HB2 ) (resi 31   and name HN  )  4.00  2.20  1.00

! residue 31   Cys , intraresidue NOEs
assi (resi 31   and name HN  ) (resi 31   and name HA  )  3.00  1.20  0.30
assi (resi 31   and name HN  ) (resi 31   and name HB1 )  4.00  2.20  1.00
assi (resi 31   and name HN  ) (resi 31   and name HB2 )  3.00  1.20  0.30
! trivial: assi (resi 31   and name HA  ) (resi 31   and name HB1 )  4.00  2.20  1.00
! trivial: assi (resi 31   and name HA  ) (resi 31   and name HB2 )  4.00  2.20  1.00

! residue 31   Cys , NOEs forward in sequence
assi (resi 31   and name HN  ) (resi 32   and name HN  )  4.00  2.20  1.00
assi (resi 31   and name HA  ) (resi 32   and name HN  )  2.50  0.70  0.20
assi (resi 31   and name HA  ) (resi 32   and name HG2 )  4.00  2.20  1.00
assi (resi 31   and name HB2 ) (resi 32   and name HN  )  4.00  2.20  1.00

! residue 32   Glu , intraresidue NOEs
! trivial: assi (resi 32   and name HN  ) (resi 32   and name HA  )  4.00  2.20  1.00
assi (resi 32   and name HN  ) (resi 32   and name HG1 )  4.00  2.20  1.00
assi (resi 32   and name HN  ) (resi 32   and name HG2 )  4.00  2.20  1.00
assi (resi 32   and name HN  ) (resi 32   and name HB# )  4.00  2.20  1.00
assi (resi 32   and name HA  ) (resi 32   and name HG1 )  3.00  1.20  0.30
assi (resi 32   and name HA  ) (resi 32   and name HG2 )  4.00  2.20  1.00
! trivial: assi (resi 32   and name HA  ) (resi 32   and name HB# )  4.00  2.20  1.00

! residue 32   Glu , NOEs forward in sequence
assi (resi 32   and name HA  ) (resi 33   and name HN  )  2.50  0.70  0.20
assi (resi 32   and name HA  ) (resi 33   and name HB1 )  4.00  2.20  2.00
assi (resi 32   and name HG1 ) (resi 33   and name HN  )  4.00  2.20  1.00
assi (resi 32   and name HG2 ) (resi 33   and name HN  )  4.00  2.20  1.00
assi (resi 32   and name HB# ) (resi 33   and name HN  )  4.00  2.20  1.00
assi (resi 32   and name HG2 ) (resi 34   and name HG# )  4.00  2.20  1.00

! residue 33   Arg , intraresidue NOEs
! trivial: assi (resi 33   and name HN  ) (resi 33   and name HA  )  4.00  2.20  1.00
assi (resi 33   and name HN  ) (resi 33   and name HB1 )  3.00  1.20  0.30
assi (resi 33   and name HN  ) (resi 33   and name HB2 )  4.00  2.20  1.00
assi (resi 33   and name HN  ) (resi 33   and name HG# )  4.00  2.20  1.00
assi (resi 33   and name HA  ) (resi 33   and name HG# )  4.00  2.20  1.00
assi (resi 33   and name HB1 ) (resi 33   and name HD1 )  4.00  2.20  1.00
assi (resi 33   and name HB1 ) (resi 33   and name HD2 )  4.00  2.20  1.00
assi (resi 33   and name HB1 ) (resi 33   and name HE  )  4.00  2.20  1.00
assi (resi 33   and name HB2 ) (resi 33   and name HD1 )  4.00  2.20  1.00
assi (resi 33   and name HB2 ) (resi 33   and name HD2 )  4.00  2.20  1.00
assi (resi 33   and name HB2 ) (resi 33   and name HE  )  4.00  2.20  1.00
assi (resi 33   and name HD1 ) (resi 33   and name HE  )  3.00  1.20  0.30
assi (resi 33   and name HD1 ) (resi 33   and name HG# )  3.00  1.20  0.30
! trivial: assi (resi 33   and name HD2 ) (resi 33   and name HE  )  4.00  2.20  1.00
assi (resi 33   and name HD2 ) (resi 33   and name HG# )  3.00  1.20  0.30
assi (resi 33   and name HE  ) (resi 33   and name HG# )  4.00  2.20  1.00

! residue 33   Arg , NOEs forward in sequence
assi (resi 33   and name HA  ) (resi 34   and name HN  )  2.50  0.70  0.20
assi (resi 33   and name HD1 ) (resi 34   and name HG# )  4.00  2.20  1.00
assi (resi 33   and name HD2 ) (resi 34   and name HG# )  4.00  2.20  1.00
assi (resi 33   and name HG# ) (resi 34   and name HN  )  4.00  2.20  1.00
assi (resi 33   and name HG# ) (resi 35   and name HN  )  4.00  2.20  1.00
assi (resi 33   and name HG# ) (resi 35   and name HD1 )  4.00  2.20  2.00

! residue 34   Lys , intraresidue NOEs
assi (resi 34   and name HN  ) (resi 34   and name HA  )  2.50  0.70  0.20
assi (resi 34   and name HN  ) (resi 34   and name HB# )  3.00  1.20  0.30
assi (resi 34   and name HN  ) (resi 34   and name HG# )  4.00  2.20  1.00
assi (resi 34   and name HA  ) (resi 34   and name HG# )  4.00  2.20  1.00
assi (resi 34   and name HG# ) (resi 34   and name HE# )  3.00  1.20  0.30
assi (resi 34   and name HD# ) (resi 34   and name HE# )  3.00  1.20  0.30

! residue 34   Lys , NOEs forward in sequence
assi (resi 34   and name HN  ) (resi 35   and name HN  )  3.00  1.20  0.30
assi (resi 34   and name HA  ) (resi 35   and name HN  )  3.00  1.20  0.30
assi (resi 34   and name HA  ) (resi 35   and name HD1 )  4.00  2.20  2.00
assi (resi 34   and name HB# ) (resi 35   and name HN  )  4.00  2.20  1.00
assi (resi 34   and name HB# ) (resi 35   and name HD1 )  4.00  2.20  1.00
assi (resi 34   and name HG# ) (resi 35   and name HN  )  4.00  2.20  1.00
assi (resi 34   and name HG# ) (resi 35   and name HD1 )  4.00  2.20  2.00

! residue 35   Trp , intraresidue NOEs
! trivial: assi (resi 35   and name HN  ) (resi 35   and name HA  )  4.00  2.20  1.00
assi (resi 35   and name HN  ) (resi 35   and name HB1 )  4.00  2.20  1.00
assi (resi 35   and name HN  ) (resi 35   and name HB2 )  4.00  2.20  1.00
assi (resi 35   and name HN  ) (resi 35   and name HD1 )  4.00  2.20  1.00
assi (resi 35   and name HA  ) (resi 35   and name HD1 )  4.00  2.20  1.00
! trivial: assi (resi 35   and name HD1 ) (resi 35   and name HE1 )  3.00  1.20  0.30
! trivial: assi (resi 35   and name HE1 ) (resi 35   and name HZ2 )  4.00  2.20  1.00

! residue 35   Trp , NOEs forward in sequence
assi (resi 35   and name HN  ) (resi 36   and name HN  )  4.00  2.20  1.00
assi (resi 35   and name HA  ) (resi 36   and name HN  )  3.00  1.20  0.30
assi (resi 35   and name HB1 ) (resi 36   and name HN  )  4.00  2.20  1.00
assi (resi 35   and name HB2 ) (resi 36   and name HN  )  3.00  1.20  0.30
assi (resi 35   and name HD1 ) (resi 36   and name HN  )  4.00  2.20  2.00
assi (resi 35   and name HA  ) (resi 37   and name HN  )  4.00  2.20  1.00
assi (resi 35   and name HB1 ) (resi 37   and name HN  )  4.00  2.20  1.00
assi (resi 35   and name HB2 ) (resi 37   and name HN  )  4.00  2.20  1.00

! residue 36   Lys , intraresidue NOEs
assi (resi 36   and name HN  ) (resi 36   and name HA  )  3.00  1.20  0.30
assi (resi 36   and name HN  ) (resi 36   and name HG1 )  4.00  2.20  1.00
assi (resi 36   and name HN  ) (resi 36   and name HG2 )  4.00  2.20  1.00
assi (resi 36   and name HN  ) (resi 36   and name HB# )  3.00  1.20  0.30
assi (resi 36   and name HA  ) (resi 36   and name HG1 )  4.00  2.20  1.00
assi (resi 36   and name HA  ) (resi 36   and name HG2 )  4.00  2.20  1.00
assi (resi 36   and name HA  ) (resi 36   and name HB# )  3.00  1.20  0.30
assi (resi 36   and name HG1 ) (resi 36   and name HE# )  4.00  2.20  1.00
assi (resi 36   and name HG2 ) (resi 36   and name HE# )  4.00  2.20  1.00
! trivial: assi (resi 36   and name HZ# ) (resi 36   and name HE# )  4.00  2.20  1.00

! residue 36   Lys , NOEs forward in sequence
assi (resi 36   and name HN  ) (resi 37   and name HN  )  4.00  2.20  1.00
assi (resi 36   and name HA  ) (resi 37   and name HN  )  3.00  1.20  0.30
assi (resi 36   and name HB# ) (resi 37   and name HN  )  4.00  2.20  1.00
assi (resi 36   and name HB# ) (resi 37   and name HD# )  4.00  2.20  1.00
assi (resi 36   and name HA  ) (resi 38   and name HN  )  4.00  2.20  1.00

! residue 37   Tyr , intraresidue NOEs
! trivial: assi (resi 37   and name HN  ) (resi 37   and name HA  )  4.00  2.20  1.00
assi (resi 37   and name HN  ) (resi 37   and name HB1 )  4.00  2.20  1.00
assi (resi 37   and name HN  ) (resi 37   and name HB2 )  4.00  2.20  1.00
assi (resi 37   and name HN  ) (resi 37   and name HD# )  4.00  2.20  1.00
assi (resi 37   and name HA  ) (resi 37   and name HD# )  4.00  2.20  1.00
assi (resi 37   and name HA  ) (resi 37   and name HE# )  4.00  2.20  2.00
assi (resi 37   and name HB1 ) (resi 37   and name HD# )  4.00  2.20  1.00
assi (resi 37   and name HB1 ) (resi 37   and name HE# )  4.00  2.20  1.00
assi (resi 37   and name HB2 ) (resi 37   and name HD# )  4.00  2.20  1.00
assi (resi 37   and name HB2 ) (resi 37   and name HE# )  4.00  2.20  1.00

! residue 37   Tyr , NOEs forward in sequence
assi (resi 37   and name HN  ) (resi 38   and name HN  )  4.00  2.20  1.00
assi (resi 37   and name HA  ) (resi 38   and name HN  )  3.00  1.20  0.30
assi (resi 37   and name HB1 ) (resi 38   and name HN  )  4.00  2.20  1.00
assi (resi 37   and name HD# ) (resi 38   and name HN  )  4.00  2.20  1.00

! residue 38   Leu , intraresidue NOEs
assi (resi 38   and name HN  ) (resi 38   and name HA  )  2.50  0.70  0.20
assi (resi 38   and name HN  ) (resi 38   and name HG  )  4.00  2.20  1.00
assi (resi 38   and name HN  ) (resi 38   and name HD1#)  4.00  2.20  1.00
assi (resi 38   and name HN  ) (resi 38   and name HD2#)  4.00  2.20  1.00
assi (resi 38   and name HN  ) (resi 38   and name HB# )  3.00  1.20  0.30

! residue 38   Leu , NOEs forward in sequence
assi (resi 38   and name HA  ) (resi 39   and name HN  )  4.00  2.20  1.00
assi (resi 38   and name HN  ) (resi 39   and name HN  )  4.00  2.20  1.00
assi (resi 38   and name HG  ) (resi 39   and name HN  )  4.00  2.20  1.00
assi (resi 38   and name HD1#) (resi 39   and name HN  )  4.00  2.20  1.00
assi (resi 38   and name HD2#) (resi 39   and name HN  )  4.00  2.20  1.00
assi (resi 38   and name HB# ) (resi 39   and name HN  )  3.00  1.20  0.30

! residue 39   Phe , intraresidue NOEs
assi (resi 39   and name HN  ) (resi 39   and name HA  )  3.00  1.20  0.30
assi (resi 39   and name HN  ) (resi 39   and name HB1 )  4.00  2.20  1.00
assi (resi 39   and name HN  ) (resi 39   and name HB2 )  3.00  1.20  0.30
assi (resi 39   and name HN  ) (resi 39   and name HD# )  4.00  2.20  1.00
assi (resi 39   and name HA  ) (resi 39   and name HD# )  4.00  2.20  1.00
assi (resi 39   and name HB1 ) (resi 39   and name HD# )  3.00  1.20  0.30
assi (resi 39   and name HB1 ) (resi 39   and name HE# )  4.00  2.20  1.00
assi (resi 39   and name HB2 ) (resi 39   and name HD# )  3.00  1.20  0.30
assi (resi 39   and name HB2 ) (resi 39   and name HE# )  4.00  2.20  1.00

! residue 39   Phe , NOEs forward in sequence
assi (resi 39   and name HA  ) (resi 40   and name HN  )  3.00  1.20  0.30
assi (resi 39   and name HD# ) (resi 40   and name HN  )  4.00  2.20  1.00

! residue 40   Thr , intraresidue NOEs
assi (resi 40   and name HN  ) (resi 40   and name HG1 )  4.00  2.20  1.00

! residue 40   Thr , NOEs forward in sequence
assi (resi 40   and name HN  ) (resi 41   and name HN  )  4.00  2.20  1.00
assi (resi 40   and name HA  ) (resi 41   and name HN  )  3.00  1.20  0.30
assi (resi 40   and name HG1 ) (resi 41   and name HN  )  4.00  2.20  1.00

! residue 41   Gly , intraresidue NOEs
assi (resi 41   and name HN  ) (resi 41   and name HA1 )  3.00  1.20  0.30
assi (resi 41   and name HN  ) (resi 41   and name HA2 )  3.00  1.20  0.30

! residue 41   Gly , NOEs forward in sequence
assi (resi 41   and name HN  ) (resi 42   and name HN  )  4.00  2.20  1.00
assi (resi 41   and name HA1 ) (resi 42   and name HN  )  4.00  2.20  1.00
assi (resi 41   and name HA2 ) (resi 42   and name HN  )  4.00  2.20  1.00

! residue 42   Glu , intraresidue NOEs
! trivial: assi (resi 42   and name HN  ) (resi 42   and name HA  )  4.00  2.20  1.00
assi (resi 42   and name HN  ) (resi 42   and name HB1 )  3.00  1.20  0.30
assi (resi 42   and name HN  ) (resi 42   and name HB2 )  4.00  2.20  1.00
assi (resi 42   and name HN  ) (resi 42   and name HG# )  4.00  2.20  1.00
assi (resi 42   and name HA  ) (resi 42   and name HG# )  4.00  2.20  1.00

! residue 42   Glu , NOEs forward in sequence
assi (resi 42   and name HN  ) (resi 43   and name HN  )  4.00  2.20  1.00
assi (resi 42   and name HA  ) (resi 43   and name HN  )  2.50  0.70  0.20
assi (resi 42   and name HB1 ) (resi 43   and name HN  )  4.00  2.20  1.00
assi (resi 42   and name HB2 ) (resi 43   and name HN  )  4.00  2.20  1.00
assi (resi 42   and name HG# ) (resi 43   and name HN  )  4.00  2.20  1.00

! residue 43   Cys , intraresidue NOEs
! trivial: assi (resi 43   and name HN  ) (resi 43   and name HA  )  4.00  2.20  1.00
assi (resi 43   and name HN  ) (resi 43   and name HB1 )  3.00  1.20  0.30
assi (resi 43   and name HN  ) (resi 43   and name HB2 )  4.00  2.20  1.00

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   CYS   1           1H       CYS   1   5.326 -10.312  -0.899
    2    H2   CYS   1           2H       CYS   1   3.892 -10.981  -0.332
    3    H3   CYS   1           3H       CYS   1   4.207 -10.943  -1.983
    4    HA   CYS   1           HA       CYS   1   4.115  -8.529  -1.980
    5    HB2  CYS   1           2HB      CYS   1   1.688  -8.336  -1.501
    6    HB3  CYS   1           1HB      CYS   1   2.043  -9.794  -2.427
    7    H    GLY   2           H        GLY   2   3.899  -6.585  -0.741
    8    HA2  GLY   2           2HA      GLY   2   4.725  -6.839   2.052
    9    HA3  GLY   2           1HA      GLY   2   4.422  -5.325   1.195
   10    H    SER   3           H        SER   3   3.372  -6.856   3.797
   11    HA   SER   3           HA       SER   3   0.454  -6.455   3.326
   12    HB2  SER   3           2HB      SER   3   2.037  -7.797   5.529
   13    HB3  SER   3           1HB      SER   3   0.311  -7.476   5.672
   14    HG   SER   3           HG       SER   3  -0.067  -9.062   4.342
   15    H    LYS   4           H        LYS   4  -0.433  -5.645   5.824
   16    HA   LYS   4           HA       LYS   4  -0.013  -2.880   5.868
   17    HB2  LYS   4           2HB      LYS   4  -1.595  -4.377   7.358
   18    HB3  LYS   4           1HB      LYS   4  -0.252  -4.340   8.495
   19    HG2  LYS   4           2HG      LYS   4  -0.283  -1.887   8.498
   20    HG3  LYS   4           1HG      LYS   4  -1.572  -1.886   7.294
   21    HD2  LYS   4           2HD      LYS   4  -3.048  -3.083   8.875
   22    HD3  LYS   4           1HD      LYS   4  -1.764  -3.061  10.084
   23    HE2  LYS   4           2HE      LYS   4  -3.063  -0.613   8.849
   24    HE3  LYS   4           1HE      LYS   4  -3.360  -1.225  10.476
   25    HZ1  LYS   4           3HZ      LYS   4  -0.746  -0.298   9.437
   26    HZ2  LYS   4           1HZ      LYS   4  -1.741   0.561  10.486
   27    HZ3  LYS   4           2HZ      LYS   4  -1.032  -0.879  10.989
   28    H    ARG   5           H        ARG   5   1.757  -1.640   6.373
   29    HA   ARG   5           HA       ARG   5   3.911  -1.100   7.153
   30    HB2  ARG   5           2HB      ARG   5   2.828  -1.879   9.342
   31    HB3  ARG   5           1HB      ARG   5   3.590  -3.439   9.047
   32    HG2  ARG   5           2HG      ARG   5   5.667  -1.613   8.653
   33    HG3  ARG   5           1HG      ARG   5   4.785  -0.955  10.031
   34    HD2  ARG   5           2HD      ARG   5   6.112  -3.643   9.756
   35    HD3  ARG   5           1HD      ARG   5   6.306  -2.445  11.034
   36    HE   ARG   5           HE       ARG   5   3.815  -2.996  11.638
   37   HH11  ARG   5          1HH2      ARG   5   6.113  -5.204  10.163
   38   HH12  ARG   5          2HH2      ARG   5   5.310  -6.621  10.745
   39   HH21  ARG   5          2HH1      ARG   5   2.796  -4.869  12.358
   40   HH22  ARG   5          1HH1      ARG   5   3.438  -6.433  11.984
   41    H    ALA   6           H        ALA   6   4.615  -1.976   5.008
   42    HA   ALA   6           HA       ALA   6   6.772  -3.823   5.253
   43    HB1  ALA   6           1HB      ALA   6   4.213  -4.974   4.111
   44    HB2  ALA   6           2HB      ALA   6   5.112  -5.567   5.505
   45    HB3  ALA   6           3HB      ALA   6   5.800  -5.704   3.889
   46    H    TRP   7           H        TRP   7   8.095  -3.405   3.606
   47    HA   TRP   7           HA       TRP   7   7.644  -1.491   1.633
   48    HB2  TRP   7           2HB      TRP   7   9.878  -2.079   2.168
   49    HB3  TRP   7           1HB      TRP   7   9.599  -3.778   1.788
   50    HD1  TRP   7           HD       TRP   7  10.251  -0.408   0.177
   51    HE1  TRP   7           1HE      TRP   7  10.784  -0.754  -2.322
   52    HE3  TRP   7           3HE      TRP   7   9.168  -5.372  -0.265
   53    HZ2  TRP   7           2HZ      TRP   7  10.747  -2.869  -4.256
   54    HZ3  TRP   7           3HZ      TRP   7   9.422  -6.529  -2.441
   55    HH2  TRP   7           HH       TRP   7  10.210  -5.285  -4.436
   56    H    CYS   8           H        CYS   8   6.886  -1.493  -0.459
   57    HA   CYS   8           HA       CYS   8   6.031  -4.131  -1.625
   58    HB2  CYS   8           2HB      CYS   8   4.424  -2.357  -2.926
   59    HB3  CYS   8           1HB      CYS   8   3.933  -3.241  -1.495
   60    H    LYS   9           H        LYS   9   6.072  -4.108  -4.034
   61    HA   LYS   9           HA       LYS   9   8.435  -2.645  -5.017
   62    HB2  LYS   9           2HB      LYS   9   7.773  -5.113  -5.518
   63    HB3  LYS   9           1HB      LYS   9   6.641  -4.418  -6.674
   64    HG2  LYS   9           2HG      LYS   9   8.455  -3.290  -7.844
   65    HG3  LYS   9           1HG      LYS   9   9.611  -3.843  -6.630
   66    HD2  LYS   9           2HD      LYS   9   8.852  -6.230  -7.238
   67    HD3  LYS   9           1HD      LYS   9   8.093  -5.496  -8.649
   68    HE2  LYS   9           2HE      LYS   9  10.078  -5.187  -9.702
   69    HE3  LYS   9           1HE      LYS   9  10.881  -4.627  -8.235
   70    HZ1  LYS   9           3HZ      LYS   9  10.264  -7.445  -8.902
   71    HZ2  LYS   9           1HZ      LYS   9  11.783  -6.728  -8.983
   72    HZ3  LYS   9           2HZ      LYS   9  11.021  -6.919  -7.496
   73    H    GLU  10           H        GLU  10   4.958  -2.955  -5.767
   74    HA   GLU  10           HA       GLU  10   5.031  -0.173  -6.926
   75    HB2  GLU  10           2HB      GLU  10   3.945  -2.614  -8.367
   76    HB3  GLU  10           1HB      GLU  10   3.746  -0.947  -8.905
   77    HG2  GLU  10           2HG      GLU  10   6.189  -0.704  -9.093
   78    HG3  GLU  10           1HG      GLU  10   6.402  -2.362  -8.530
   79    H    LYS  11           H        LYS  11   2.469  -0.073  -7.833
   80    HA   LYS  11           HA       LYS  11   0.892   0.197  -5.470
   81    HB2  LYS  11           2HB      LYS  11   0.472   1.498  -7.488
   82    HB3  LYS  11           1HB      LYS  11   0.095   0.032  -8.391
   83    HG2  LYS  11           2HG      LYS  11  -1.987   1.077  -7.771
   84    HG3  LYS  11           1HG      LYS  11  -1.807  -0.371  -6.783
   85    HD2  LYS  11           2HD      LYS  11  -1.233   0.873  -4.856
   86    HD3  LYS  11           1HD      LYS  11  -0.869   2.323  -5.794
   87    HE2  LYS  11           2HE      LYS  11  -3.047   2.980  -5.830
   88    HE3  LYS  11           1HE      LYS  11  -3.628   1.348  -6.156
   89    HZ1  LYS  11           3HZ      LYS  11  -2.750   2.372  -3.523
   90    HZ2  LYS  11           1HZ      LYS  11  -4.344   2.121  -3.997
   91    HZ3  LYS  11           2HZ      LYS  11  -3.300   0.813  -3.833
   92    H    LYS  12           H        LYS  12   0.987  -2.364  -7.955
   93    HA   LYS  12           HA       LYS  12  -1.120  -3.871  -6.602
   94    HB2  LYS  12           2HB      LYS  12   0.307  -3.960  -9.138
   95    HB3  LYS  12           1HB      LYS  12  -0.080  -5.539  -8.500
   96    HG2  LYS  12           2HG      LYS  12  -2.435  -4.021  -8.162
   97    HG3  LYS  12           1HG      LYS  12  -1.826  -3.570  -9.753
   98    HD2  LYS  12           2HD      LYS  12  -1.645  -5.981 -10.340
   99    HD3  LYS  12           1HD      LYS  12  -2.338  -6.392  -8.771
  100    HE2  LYS  12           2HE      LYS  12  -4.159  -6.418 -10.324
  101    HE3  LYS  12           1HE      LYS  12  -4.323  -4.926  -9.398
  102    HZ1  LYS  12           3HZ      LYS  12  -3.064  -5.165 -12.068
  103    HZ2  LYS  12           1HZ      LYS  12  -4.590  -4.531 -11.759
  104    HZ3  LYS  12           2HZ      LYS  12  -3.221  -3.743 -11.184
  105    H    ASP  13           H        ASP  13   2.158  -3.468  -6.049
  106    HA   ASP  13           HA       ASP  13   2.768  -6.334  -5.578
  107    HB2  ASP  13           2HB      ASP  13   4.426  -4.524  -6.257
  108    HB3  ASP  13           1HB      ASP  13   4.362  -3.989  -4.575
  109    H    CYS  14           H        CYS  14   0.940  -4.157  -3.746
  110    HA   CYS  14           HA       CYS  14   1.961  -5.065  -1.154
  111    HB2  CYS  14           2HB      CYS  14  -0.281  -3.266  -2.061
  112    HB3  CYS  14           1HB      CYS  14  -0.151  -3.790  -0.401
  113    H    CYS  15           H        CYS  15   0.846  -6.559   0.191
  114    HA   CYS  15           HA       CYS  15  -0.449  -8.709  -0.986
  115    HB2  CYS  15           2HB      CYS  15  -0.721  -7.633   1.826
  116    HB3  CYS  15           1HB      CYS  15  -1.196  -9.232   1.305
  117    H    CYS  16           H        CYS  16  -2.719  -9.394  -0.751
  118    HA   CYS  16           HA       CYS  16  -4.493  -7.532  -1.871
  119    HB2  CYS  16           2HB      CYS  16  -4.650 -10.251  -0.774
  120    HB3  CYS  16           1HB      CYS  16  -6.147  -9.350  -0.693
  121    H    GLY  17           H        GLY  17  -5.941  -6.110  -1.057
  122    HA2  GLY  17           2HA      GLY  17  -7.276  -5.026   0.579
  123    HA3  GLY  17           1HA      GLY  17  -6.647  -6.139   1.794
  124    H    TYR  18           H        TYR  18  -4.047  -4.982  -0.010
  125    HA   TYR  18           HA       TYR  18  -3.697  -2.652   1.920
  126    HB2  TYR  18           2HB      TYR  18  -1.593  -4.704   1.180
  127    HB3  TYR  18           1HB      TYR  18  -1.379  -3.330   2.267
  128    HD1  TYR  18           1HD      TYR  18  -2.666  -3.222   4.423
  129    HD2  TYR  18           2HD      TYR  18  -2.693  -6.698   1.902
  130    HE1  TYR  18           1HE      TYR  18  -3.562  -4.579   6.298
  131    HE2  TYR  18           2HE      TYR  18  -3.574  -8.056   3.778
  132    HH   TYR  18           HH       TYR  18  -3.609  -7.975   6.246
  133    H    ASN  19           H        ASN  19  -2.697  -0.863   1.045
  134    HA   ASN  19           HA       ASN  19  -2.181  -0.921  -1.898
  135    HB2  ASN  19           2HB      ASN  19  -2.636   1.437  -1.868
  136    HB3  ASN  19           1HB      ASN  19  -3.873   0.696  -0.851
  137   HD21  ASN  19          1HD2      ASN  19  -2.779   3.483  -0.629
  138   HD22  ASN  19          2HD2      ASN  19  -2.145   3.594   0.939
  139    H    CYS  20           H        CYS  20  -0.325   0.579  -2.600
  140    HA   CYS  20           HA       CYS  20   1.975   0.247  -0.706
  141    HB2  CYS  20           2HB      CYS  20   2.080  -0.716  -3.071
  142    HB3  CYS  20           1HB      CYS  20   2.115   0.948  -3.645
  143    H    VAL  21           H        VAL  21   2.886   2.011   0.192
  144    HA   VAL  21           HA       VAL  21   2.138   4.696  -0.910
  145    HB   VAL  21           HB       VAL  21   2.085   3.596   1.838
  146   HG11  VAL  21          1HG1      VAL  21   3.387   6.260   1.226
  147   HG12  VAL  21          2HG1      VAL  21   3.993   4.965   2.257
  148   HG13  VAL  21          3HG1      VAL  21   2.611   5.927   2.776
  149   HG21  VAL  21          3HG2      VAL  21   0.363   5.296   2.103
  150   HG22  VAL  21          1HG2      VAL  21   0.121   4.486   0.555
  151   HG23  VAL  21          2HG2      VAL  21   0.864   6.085   0.608
  152    H    TYR  22           H        TYR  22   3.845   5.935  -1.588
  153    HA   TYR  22           HA       TYR  22   6.574   4.830  -1.221
  154    HB2  TYR  22           2HB      TYR  22   5.925   5.899  -3.335
  155    HB3  TYR  22           1HB      TYR  22   5.581   7.404  -2.488
  156    HD1  TYR  22           2HD      TYR  22   8.437   4.950  -2.329
  157    HD2  TYR  22           1HD      TYR  22   7.189   9.008  -2.994
  158    HE1  TYR  22           2HE      TYR  22  10.802   5.637  -2.567
  159    HE2  TYR  22           1HE      TYR  22   9.559   9.693  -3.238
  160    HH   TYR  22           HH       TYR  22  12.044   7.563  -3.750
  161    H    ALA  23           H        ALA  23   7.862   5.293   0.499
  162    HA   ALA  23           HA       ALA  23   7.127   7.603   2.231
  163    HB1  ALA  23           1HB      ALA  23   7.282   5.603   3.499
  164    HB2  ALA  23           2HB      ALA  23   8.785   6.467   3.819
  165    HB3  ALA  23           3HB      ALA  23   8.771   5.113   2.692
  166    H    TRP  24           H        TRP  24   8.151   9.036   0.512
  167    HA   TRP  24           HA       TRP  24  10.895   8.972  -0.138
  168    HB2  TRP  24           2HB      TRP  24  10.689  11.308  -0.692
  169    HB3  TRP  24           1HB      TRP  24   9.167  10.526  -1.111
  170    HD1  TRP  24           HD       TRP  24   7.085  10.915   0.555
  171    HE1  TRP  24           1HE      TRP  24   6.553  12.880   2.140
  172    HE3  TRP  24           3HE      TRP  24  11.701  13.076   0.857
  173    HZ2  TRP  24           2HZ      TRP  24   7.912  15.074   3.378
  174    HZ3  TRP  24           3HZ      TRP  24  12.056  15.098   2.246
  175    HH2  TRP  24           HH       TRP  24  10.170  16.098   3.507
  176    H    TYR  25           H        TYR  25   9.243  10.208   2.779
  177    HA   TYR  25           HA       TYR  25  11.499  11.590   3.898
  178    HB2  TYR  25           2HB      TYR  25  10.350  10.638   6.143
  179    HB3  TYR  25           1HB      TYR  25   9.644  11.951   5.205
  180    HD1  TYR  25           1HD      TYR  25   7.724  11.562   3.733
  181    HD2  TYR  25           2HD      TYR  25   9.380   8.400   6.114
  182    HE1  TYR  25           1HE      TYR  25   5.682  10.211   3.349
  183    HE2  TYR  25           2HE      TYR  25   7.338   7.044   5.732
  184    HH   TYR  25           HH       TYR  25   4.536   8.382   4.037
  185    H    ASN  26           H        ASN  26  10.906   8.176   3.555
  186    HA   ASN  26           HA       ASN  26  13.611   7.667   4.677
  187    HB2  ASN  26           2HB      ASN  26  12.833   5.765   5.982
  188    HB3  ASN  26           1HB      ASN  26  11.935   7.197   6.481
  189   HD21  ASN  26          1HD2      ASN  26  11.616   4.651   3.930
  190   HD22  ASN  26          2HD2      ASN  26   9.948   4.435   4.156
  191    H    GLN  27           H        GLN  27  12.380   7.768   1.970
  192    HA   GLN  27           HA       GLN  27  12.300   6.480   0.030
  193    HB2  GLN  27           2HB      GLN  27  14.586   5.319   1.595
  194    HB3  GLN  27           1HB      GLN  27  14.159   4.648   0.021
  195    HG2  GLN  27           2HG      GLN  27  15.764   6.268  -0.536
  196    HG3  GLN  27           1HG      GLN  27  14.250   7.133  -0.794
  197   HE21  GLN  27          1HE2      GLN  27  13.927   9.031   0.417
  198   HE22  GLN  27          2HE2      GLN  27  14.928   9.530   1.693
  199    H    GLN  28           H        GLN  28  12.522   3.833  -0.564
  200    HA   GLN  28           HA       GLN  28  11.307   1.829  -0.486
  201    HB2  GLN  28           2HB      GLN  28  11.544   2.497   2.456
  202    HB3  GLN  28           1HB      GLN  28  10.811   1.004   1.879
  203    HG2  GLN  28           2HG      GLN  28  13.371   1.513   0.567
  204    HG3  GLN  28           1HG      GLN  28  13.543   1.447   2.320
  205   HE21  GLN  28          1HE2      GLN  28  13.242  -0.489  -0.492
  206   HE22  GLN  28          2HE2      GLN  28  12.945  -1.972   0.280
  207    H    SER  29           H        SER  29   9.127   1.017  -0.286
  208    HA   SER  29           HA       SER  29   7.114   3.148   0.338
  209    HB2  SER  29           2HB      SER  29   6.855   0.816  -1.583
  210    HB3  SER  29           1HB      SER  29   5.655   2.072  -1.299
  211    HG   SER  29           HG       SER  29   7.727   3.430  -1.828
  212    H    SER  30           H        SER  30   5.606   2.612   1.916
  213    HA   SER  30           HA       SER  30   5.731  -0.122   2.991
  214    HB2  SER  30           2HB      SER  30   5.433   0.734   5.106
  215    HB3  SER  30           1HB      SER  30   6.197   2.126   4.344
  216    HG   SER  30           HG       SER  30   4.122   2.958   3.946
  217    H    CYS  31           H        CYS  31   3.985  -1.410   2.783
  218    HA   CYS  31           HA       CYS  31   1.593  -0.479   1.451
  219    HB2  CYS  31           2HB      CYS  31   2.182  -3.069   2.904
  220    HB3  CYS  31           1HB      CYS  31   0.752  -2.782   1.924
  221    H    GLU  32           H        GLU  32  -0.514  -0.249   2.266
  222    HA   GLU  32           HA       GLU  32  -0.865  -0.502   5.232
  223    HB2  GLU  32           2HB      GLU  32  -0.916   1.709   5.702
  224    HB3  GLU  32           1HB      GLU  32  -0.197   1.973   4.116
  225    HG2  GLU  32           2HG      GLU  32  -2.455   2.107   3.130
  226    HG3  GLU  32           1HG      GLU  32  -3.159   1.891   4.734
  227    H    ARG  33           H        ARG  33  -3.110  -0.725   5.787
  228    HA   ARG  33           HA       ARG  33  -4.694  -2.132   3.967
  229    HB2  ARG  33           2HB      ARG  33  -6.488  -1.960   5.507
  230    HB3  ARG  33           1HB      ARG  33  -5.019  -1.940   6.478
  231    HG2  ARG  33           2HG      ARG  33  -5.292   0.261   7.102
  232    HG3  ARG  33           1HG      ARG  33  -6.060   0.717   5.585
  233    HD2  ARG  33           2HD      ARG  33  -8.113  -0.460   6.257
  234    HD3  ARG  33           1HD      ARG  33  -7.349  -0.929   7.771
  235    HE   ARG  33           HE       ARG  33  -7.108   1.889   7.699
  236   HH11  ARG  33          1HH2      ARG  33  -9.623  -0.524   7.438
  237   HH12  ARG  33          2HH2      ARG  33 -10.833   0.463   8.188
  238   HH21  ARG  33          2HH1      ARG  33  -8.703   3.154   8.688
  239   HH22  ARG  33          1HH1      ARG  33 -10.311   2.545   8.897
  240    H    LYS  34           H        LYS  34  -7.200  -1.080   3.926
  241    HA   LYS  34           HA       LYS  34  -8.397   0.978   3.237
  242    HB2  LYS  34           2HB      LYS  34  -5.964   1.245   1.483
  243    HB3  LYS  34           1HB      LYS  34  -7.472   2.070   1.118
  244    HG2  LYS  34           2HG      LYS  34  -7.419   3.047   3.443
  245    HG3  LYS  34           1HG      LYS  34  -5.802   2.378   3.627
  246    HD2  LYS  34           2HD      LYS  34  -4.986   3.678   1.747
  247    HD3  LYS  34           1HD      LYS  34  -6.614   4.259   1.401
  248    HE2  LYS  34           2HE      LYS  34  -6.686   5.341   3.631
  249    HE3  LYS  34           1HE      LYS  34  -5.029   4.809   3.925
  250    HZ1  LYS  34           3HZ      LYS  34  -5.908   6.572   1.714
  251    HZ2  LYS  34           1HZ      LYS  34  -5.095   7.071   3.099
  252    HZ3  LYS  34           2HZ      LYS  34  -4.329   6.064   1.991
  253    H    TRP  35           H        TRP  35 -10.081  -0.150   2.512
  254    HA   TRP  35           HA       TRP  35  -9.779  -1.730  -0.010
  255    HB2  TRP  35           2HB      TRP  35 -11.904  -2.016   2.125
  256    HB3  TRP  35           1HB      TRP  35 -11.678  -3.053   0.725
  257    HD1  TRP  35           HD       TRP  35  -8.337  -2.876   1.263
  258    HE1  TRP  35           1HE      TRP  35  -7.406  -4.508   3.023
  259    HE3  TRP  35           3HE      TRP  35 -12.641  -4.041   3.763
  260    HZ2  TRP  35           2HZ      TRP  35  -8.352  -6.097   5.200
  261    HZ3  TRP  35           3HZ      TRP  35 -12.593  -5.619   5.675
  262    HH2  TRP  35           HH       TRP  35 -10.456  -6.647   6.396
  263    H    LYS  36           H        LYS  36 -12.513  -0.409   1.704
  264    HA   LYS  36           HA       LYS  36 -13.921   0.431  -0.626
  265    HB2  LYS  36           2HB      LYS  36 -15.026   0.080   1.549
  266    HB3  LYS  36           1HB      LYS  36 -14.212   1.420   2.221
  267    HG2  LYS  36           2HG      LYS  36 -15.328   2.855   0.543
  268    HG3  LYS  36           1HG      LYS  36 -16.156   1.439  -0.106
  269    HD2  LYS  36           2HD      LYS  36 -17.277   1.069   2.032
  270    HD3  LYS  36           1HD      LYS  36 -16.392   2.411   2.756
  271    HE2  LYS  36           2HE      LYS  36 -18.489   3.345   2.181
  272    HE3  LYS  36           1HE      LYS  36 -17.417   3.857   0.878
  273    HZ1  LYS  36           3HZ      LYS  36 -19.228   1.516   0.802
  274    HZ2  LYS  36           1HZ      LYS  36 -19.490   2.982   0.021
  275    HZ3  LYS  36           2HZ      LYS  36 -18.205   2.000  -0.441
  276    H    TYR  37           H        TYR  37 -11.578   1.938   1.451
  277    HA   TYR  37           HA       TYR  37 -12.044   4.654   0.377
  278    HB2  TYR  37           2HB      TYR  37  -9.766   3.463   1.982
  279    HB3  TYR  37           1HB      TYR  37  -9.931   5.178   1.608
  280    HD1  TYR  37           2HD      TYR  37 -11.462   2.321   3.410
  281    HD2  TYR  37           1HD      TYR  37 -11.536   6.564   2.741
  282    HE1  TYR  37           2HE      TYR  37 -12.998   2.598   5.337
  283    HE2  TYR  37           1HE      TYR  37 -13.073   6.840   4.668
  284    HH   TYR  37           HH       TYR  37 -14.148   5.831   6.319
  285    H    LEU  38           H        LEU  38 -11.067   2.154  -1.342
  286    HA   LEU  38           HA       LEU  38  -9.095   3.745  -2.826
  287    HB2  LEU  38           2HB      LEU  38  -8.448   1.458  -1.426
  288    HB3  LEU  38           1HB      LEU  38  -8.720   0.841  -3.053
  289    HG   LEU  38           HG       LEU  38  -7.119   2.464  -3.965
  290   HD11  LEU  38          1HD1      LEU  38  -7.382   3.609  -1.255
  291   HD12  LEU  38          2HD1      LEU  38  -6.914   4.388  -2.765
  292   HD13  LEU  38          3HD1      LEU  38  -5.716   3.503  -1.826
  293   HD21  LEU  38          3HD2      LEU  38  -5.069   1.641  -2.564
  294   HD22  LEU  38          1HD2      LEU  38  -6.044   0.447  -3.418
  295   HD23  LEU  38          2HD2      LEU  38  -6.262   0.687  -1.685
  296    H    PHE  39           H        PHE  39  -9.205   3.592  -5.083
  297    HA   PHE  39           HA       PHE  39 -11.757   3.165  -6.231
  298    HB2  PHE  39           2HB      PHE  39  -8.976   3.439  -7.332
  299    HB3  PHE  39           1HB      PHE  39 -10.276   2.956  -8.420
  300    HD1  PHE  39           1HD      PHE  39 -10.514   5.227  -5.466
  301    HD2  PHE  39           2HD      PHE  39 -10.575   4.899  -9.749
  302    HE1  PHE  39           1HE      PHE  39 -11.246   7.587  -5.635
  303    HE2  PHE  39           2HE      PHE  39 -11.309   7.262  -9.917
  304    HZ   PHE  39           HZ       PHE  39 -11.644   8.606  -7.860
  305    H    THR  40           H        THR  40 -12.681   1.411  -7.311
  306    HA   THR  40           HA       THR  40 -13.111  -0.903  -7.538
  307    HB   THR  40           HB       THR  40 -11.392  -2.040  -8.906
  308    HG1  THR  40           1HG      THR  40  -9.599  -0.437  -9.431
  309   HG21  THR  40          3HG2      THR  40 -11.231  -0.177 -10.695
  310   HG22  THR  40          1HG2      THR  40 -12.161   0.802  -9.560
  311   HG23  THR  40          2HG2      THR  40 -12.841  -0.697 -10.196
  312    H    GLY  41           H        GLY  41  -9.779  -1.630  -7.223
  313    HA2  GLY  41           2HA      GLY  41  -8.767  -2.131  -4.944
  314    HA3  GLY  41           1HA      GLY  41 -10.306  -2.908  -4.563
  315    H    GLU  42           H        GLU  42  -9.864  -5.072  -4.437
  316    HA   GLU  42           HA       GLU  42  -9.065  -7.173  -5.156
  317    HB2  GLU  42           2HB      GLU  42 -10.139  -7.687  -7.075
  318    HB3  GLU  42           1HB      GLU  42 -10.454  -5.971  -7.301
  319    HG2  GLU  42           2HG      GLU  42  -8.403  -5.717  -8.590
  320    HG3  GLU  42           1HG      GLU  42  -7.950  -7.392  -8.263
  321    H    CYS  43           H        CYS  43  -6.991  -7.613  -4.709
  322    HA   CYS  43           HA       CYS  43  -4.844  -6.013  -5.957
  323    HB2  CYS  43           2HB      CYS  43  -3.632  -6.517  -4.087
  324    HB3  CYS  43           1HB      CYS  43  -5.215  -6.903  -3.438
  325    HXT  CYS  43           2HT      CYS  43  -3.283  -8.633  -7.761
  Start of MODEL    2
    1    H1   CYS   1           1H       CYS   1   5.527  -9.851  -1.034
    2    H2   CYS   1           2H       CYS   1   4.396 -10.744  -0.165
    3    H3   CYS   1           3H       CYS   1   4.415 -10.817  -1.844
    4    HA   CYS   1           HA       CYS   1   3.783  -8.487  -1.985
    5    HB2  CYS   1           2HB      CYS   1   1.498  -8.752  -1.226
    6    HB3  CYS   1           1HB      CYS   1   2.022 -10.297  -1.872
    7    H    GLY   2           H        GLY   2   3.733  -6.500  -0.938
    8    HA2  GLY   2           2HA      GLY   2   4.763  -6.350   1.780
    9    HA3  GLY   2           1HA      GLY   2   4.202  -4.981   0.812
   10    H    SER   3           H        SER   3   3.480  -6.731   3.539
   11    HA   SER   3           HA       SER   3   0.530  -6.430   3.243
   12    HB2  SER   3           2HB      SER   3   2.253  -7.806   5.319
   13    HB3  SER   3           1HB      SER   3   0.507  -7.646   5.465
   14    HG   SER   3           HG       SER   3   1.602  -9.588   4.343
   15    H    LYS   4           H        LYS   4  -0.060  -6.026   6.000
   16    HA   LYS   4           HA       LYS   4   0.033  -3.217   6.206
   17    HB2  LYS   4           2HB      LYS   4  -1.243  -5.066   7.638
   18    HB3  LYS   4           1HB      LYS   4   0.141  -4.876   8.711
   19    HG2  LYS   4           2HG      LYS   4  -0.281  -2.499   8.934
   20    HG3  LYS   4           1HG      LYS   4  -1.561  -2.568   7.725
   21    HD2  LYS   4           2HD      LYS   4  -2.822  -4.135   9.201
   22    HD3  LYS   4           1HD      LYS   4  -1.571  -3.938  10.429
   23    HE2  LYS   4           2HE      LYS   4  -3.166  -1.646   9.254
   24    HE3  LYS   4           1HE      LYS   4  -3.555  -2.440  10.779
   25    HZ1  LYS   4           3HZ      LYS   4  -1.002  -1.082  10.147
   26    HZ2  LYS   4           1HZ      LYS   4  -2.220  -0.466  11.130
   27    HZ3  LYS   4           2HZ      LYS   4  -1.372  -1.840  11.601
   28    H    ARG   5           H        ARG   5   1.740  -1.880   6.575
   29    HA   ARG   5           HA       ARG   5   3.908  -1.188   7.123
   30    HB2  ARG   5           2HB      ARG   5   3.551  -3.328   9.251
   31    HB3  ARG   5           1HB      ARG   5   4.837  -2.123   9.234
   32    HG2  ARG   5           2HG      ARG   5   3.161  -0.319   9.315
   33    HG3  ARG   5           1HG      ARG   5   1.867  -1.517   9.326
   34    HD2  ARG   5           2HD      ARG   5   2.785  -2.456  11.437
   35    HD3  ARG   5           1HD      ARG   5   4.019  -1.197  11.440
   36    HE   ARG   5           HE       ARG   5   1.119  -0.839  12.071
   37   HH11  ARG   5          1HH2      ARG   5   4.213   0.543  11.197
   38   HH12  ARG   5          2HH2      ARG   5   3.833   2.114  11.818
   39   HH21  ARG   5          2HH1      ARG   5   0.658   1.219  12.883
   40   HH22  ARG   5          1HH1      ARG   5   1.821   2.497  12.771
   41    H    ALA   6           H        ALA   6   4.753  -2.013   5.123
   42    HA   ALA   6           HA       ALA   6   6.926  -3.836   5.359
   43    HB1  ALA   6           1HB      ALA   6   5.925  -5.685   3.892
   44    HB2  ALA   6           2HB      ALA   6   4.347  -5.012   4.298
   45    HB3  ALA   6           3HB      ALA   6   5.386  -5.651   5.570
   46    H    TRP   7           H        TRP   7   8.239  -3.540   3.637
   47    HA   TRP   7           HA       TRP   7   7.865  -1.552   1.717
   48    HB2  TRP   7           2HB      TRP   7  10.064  -2.339   2.096
   49    HB3  TRP   7           1HB      TRP   7   9.615  -4.004   1.748
   50    HD1  TRP   7           HD       TRP   7   9.890  -0.608  -0.076
   51    HE1  TRP   7           1HE      TRP   7  10.511  -1.071  -2.537
   52    HE3  TRP   7           3HE      TRP   7   9.772  -5.708  -0.063
   53    HZ2  TRP   7           2HZ      TRP   7  10.909  -3.317  -4.267
   54    HZ3  TRP   7           3HZ      TRP   7  10.275  -6.985  -2.125
   55    HH2  TRP   7           HH       TRP   7  10.844  -5.798  -4.226
   56    H    CYS   8           H        CYS   8   7.141  -1.478  -0.394
   57    HA   CYS   8           HA       CYS   8   5.795  -3.931  -1.477
   58    HB2  CYS   8           2HB      CYS   8   3.846  -2.779  -1.518
   59    HB3  CYS   8           1HB      CYS   8   4.648  -1.383  -0.804
   60    H    LYS   9           H        LYS   9   6.016  -4.201  -3.777
   61    HA   LYS   9           HA       LYS   9   8.302  -2.678  -4.909
   62    HB2  LYS   9           2HB      LYS   9   8.400  -5.137  -4.970
   63    HB3  LYS   9           1HB      LYS   9   6.909  -5.182  -5.911
   64    HG2  LYS   9           2HG      LYS   9   7.936  -4.351  -7.827
   65    HG3  LYS   9           1HG      LYS   9   9.199  -3.525  -6.922
   66    HD2  LYS   9           2HD      LYS   9   9.965  -5.576  -8.202
   67    HD3  LYS   9           1HD      LYS   9  10.346  -5.593  -6.484
   68    HE2  LYS   9           2HE      LYS   9   9.426  -7.769  -7.322
   69    HE3  LYS   9           1HE      LYS   9   8.464  -7.069  -6.026
   70    HZ1  LYS   9           3HZ      LYS   9   7.887  -6.845  -8.921
   71    HZ2  LYS   9           1HZ      LYS   9   7.076  -7.837  -7.833
   72    HZ3  LYS   9           2HZ      LYS   9   6.967  -6.165  -7.689
   73    H    GLU  10           H        GLU  10   4.858  -3.305  -5.387
   74    HA   GLU  10           HA       GLU  10   4.731  -0.899  -7.156
   75    HB2  GLU  10           2HB      GLU  10   3.849  -3.636  -8.140
   76    HB3  GLU  10           1HB      GLU  10   3.449  -2.115  -8.925
   77    HG2  GLU  10           2HG      GLU  10   6.259  -3.157  -8.486
   78    HG3  GLU  10           1HG      GLU  10   5.376  -3.224 -10.050
   79    H    LYS  11           H        LYS  11   2.265  -0.727  -7.859
   80    HA   LYS  11           HA       LYS  11   0.698  -0.510  -5.480
   81    HB2  LYS  11           2HB      LYS  11   0.182   0.806  -7.465
   82    HB3  LYS  11           1HB      LYS  11  -0.096  -0.653  -8.411
   83    HG2  LYS  11           2HG      LYS  11  -1.894  -1.085  -6.433
   84    HG3  LYS  11           1HG      LYS  11  -1.860   0.677  -6.398
   85    HD2  LYS  11           2HD      LYS  11  -2.304  -0.984  -8.901
   86    HD3  LYS  11           1HD      LYS  11  -3.592  -0.237  -7.959
   87    HE2  LYS  11           2HE      LYS  11  -2.768   1.975  -8.444
   88    HE3  LYS  11           1HE      LYS  11  -1.294   1.327  -9.167
   89    HZ1  LYS  11           3HZ      LYS  11  -4.040   0.915 -10.194
   90    HZ2  LYS  11           1HZ      LYS  11  -2.897   1.957 -10.853
   91    HZ3  LYS  11           2HZ      LYS  11  -2.637   0.296 -10.882
   92    H    LYS  12           H        LYS  12   0.621  -2.869  -8.131
   93    HA   LYS  12           HA       LYS  12  -1.351  -4.556  -6.838
   94    HB2  LYS  12           2HB      LYS  12  -0.943  -4.343  -9.334
   95    HB3  LYS  12           1HB      LYS  12   0.507  -5.319  -9.095
   96    HG2  LYS  12           2HG      LYS  12  -1.075  -6.988  -7.885
   97    HG3  LYS  12           1HG      LYS  12  -2.374  -6.103  -8.682
   98    HD2  LYS  12           2HD      LYS  12  -0.019  -7.381 -10.101
   99    HD3  LYS  12           1HD      LYS  12  -1.638  -8.070 -10.090
  100    HE2  LYS  12           2HE      LYS  12  -0.890  -5.428 -11.301
  101    HE3  LYS  12           1HE      LYS  12  -1.362  -6.903 -12.140
  102    HZ1  LYS  12           3HZ      LYS  12  -3.063  -5.380 -10.255
  103    HZ2  LYS  12           1HZ      LYS  12  -3.212  -5.377 -11.929
  104    HZ3  LYS  12           2HZ      LYS  12  -3.509  -6.787 -11.062
  105    H    ASP  13           H        ASP  13   2.206  -4.604  -7.072
  106    HA   ASP  13           HA       ASP  13   2.638  -7.237  -6.178
  107    HB2  ASP  13           2HB      ASP  13   4.198  -4.693  -6.172
  108    HB3  ASP  13           1HB      ASP  13   4.818  -6.059  -5.275
  109    H    CYS  14           H        CYS  14   1.020  -4.865  -4.508
  110    HA   CYS  14           HA       CYS  14   2.104  -5.627  -1.858
  111    HB2  CYS  14           2HB      CYS  14   1.435  -3.263  -2.243
  112    HB3  CYS  14           1HB      CYS  14  -0.220  -3.794  -2.529
  113    H    CYS  15           H        CYS  15   0.859  -6.788  -0.320
  114    HA   CYS  15           HA       CYS  15  -0.762  -8.861  -1.353
  115    HB2  CYS  15           2HB      CYS  15   0.204  -8.027   1.223
  116    HB3  CYS  15           1HB      CYS  15  -1.502  -8.447   1.362
  117    H    CYS  16           H        CYS  16  -2.937  -9.099  -1.609
  118    HA   CYS  16           HA       CYS  16  -4.543  -6.850  -2.153
  119    HB2  CYS  16           2HB      CYS  16  -4.884  -9.709  -2.064
  120    HB3  CYS  16           1HB      CYS  16  -6.277  -8.944  -1.308
  121    H    GLY  17           H        GLY  17  -5.507  -5.408  -0.848
  122    HA2  GLY  17           2HA      GLY  17  -6.992  -5.022   1.109
  123    HA3  GLY  17           1HA      GLY  17  -6.011  -6.179   2.001
  124    H    TYR  18           H        TYR  18  -3.765  -4.662   0.199
  125    HA   TYR  18           HA       TYR  18  -3.471  -2.402   2.213
  126    HB2  TYR  18           2HB      TYR  18  -1.359  -4.308   1.209
  127    HB3  TYR  18           1HB      TYR  18  -1.028  -2.884   2.186
  128    HD1  TYR  18           2HD      TYR  18  -2.279  -2.687   4.432
  129    HD2  TYR  18           1HD      TYR  18  -1.946  -6.328   2.200
  130    HE1  TYR  18           2HE      TYR  18  -2.861  -3.981   6.468
  131    HE2  TYR  18           1HE      TYR  18  -2.524  -7.634   4.236
  132    HH   TYR  18           HH       TYR  18  -3.399  -6.007   7.266
  133    H    ASN  19           H        ASN  19  -2.630  -0.485   1.414
  134    HA   ASN  19           HA       ASN  19  -2.394  -0.306  -1.562
  135    HB2  ASN  19           2HB      ASN  19  -4.038   1.152  -0.233
  136    HB3  ASN  19           1HB      ASN  19  -2.619   1.986   0.403
  137   HD21  ASN  19          1HD2      ASN  19  -2.819   3.981  -0.718
  138   HD22  ASN  19          2HD2      ASN  19  -2.797   4.105  -2.409
  139    H    CYS  20           H        CYS  20  -0.496   0.638  -2.490
  140    HA   CYS  20           HA       CYS  20   1.887   0.545  -0.739
  141    HB2  CYS  20           2HB      CYS  20   1.792  -0.416  -3.114
  142    HB3  CYS  20           1HB      CYS  20   1.815   1.255  -3.681
  143    H    VAL  21           H        VAL  21   2.809   2.315   0.126
  144    HA   VAL  21           HA       VAL  21   2.077   4.998  -0.988
  145    HB   VAL  21           HB       VAL  21   2.354   4.224   1.933
  146   HG11  VAL  21          1HG1      VAL  21   3.158   6.472   1.622
  147   HG12  VAL  21          2HG1      VAL  21   1.517   6.599   2.255
  148   HG13  VAL  21          3HG1      VAL  21   1.823   6.861   0.538
  149   HG21  VAL  21          3HG2      VAL  21  -0.143   5.214   1.694
  150   HG22  VAL  21          1HG2      VAL  21   0.213   3.502   1.465
  151   HG23  VAL  21          2HG2      VAL  21   0.046   4.562   0.067
  152    H    TYR  22           H        TYR  22   3.746   6.412  -1.285
  153    HA   TYR  22           HA       TYR  22   6.472   5.405  -1.066
  154    HB2  TYR  22           2HB      TYR  22   5.937   7.089  -2.716
  155    HB3  TYR  22           1HB      TYR  22   5.365   8.198  -1.470
  156    HD1  TYR  22           2HD      TYR  22   8.421   6.213  -2.386
  157    HD2  TYR  22           1HD      TYR  22   6.834   9.806  -0.640
  158    HE1  TYR  22           2HE      TYR  22  10.724   7.099  -2.101
  159    HE2  TYR  22           1HE      TYR  22   9.133  10.686  -0.352
  160    HH   TYR  22           HH       TYR  22  11.781   9.436  -1.912
  161    H    ALA  23           H        ALA  23   8.018   5.750   0.501
  162    HA   ALA  23           HA       ALA  23   7.067   6.602   3.154
  163    HB1  ALA  23           1HB      ALA  23   9.891   5.830   2.664
  164    HB2  ALA  23           2HB      ALA  23   8.657   4.594   2.426
  165    HB3  ALA  23           3HB      ALA  23   8.809   5.388   3.988
  166    H    TRP  24           H        TRP  24   9.873   7.340   3.806
  167    HA   TRP  24           HA       TRP  24  10.515   9.765   2.375
  168    HB2  TRP  24           2HB      TRP  24   9.917  11.306   4.340
  169    HB3  TRP  24           1HB      TRP  24   8.584  10.752   3.330
  170    HD1  TRP  24           HD       TRP  24  10.299   9.913   6.682
  171    HE1  TRP  24           1HE      TRP  24   8.555   8.827   8.236
  172    HE3  TRP  24           3HE      TRP  24   6.326   9.636   3.490
  173    HZ2  TRP  24           2HZ      TRP  24   5.830   7.968   8.146
  174    HZ3  TRP  24           3HZ      TRP  24   4.167   8.689   4.253
  175    HH2  TRP  24           HH       TRP  24   3.913   7.855   6.574
  176    H    TYR  25           H        TYR  25  10.725   8.120   5.615
  177    HA   TYR  25           HA       TYR  25  13.520   9.277   5.752
  178    HB2  TYR  25           2HB      TYR  25  13.538   8.431   8.107
  179    HB3  TYR  25           1HB      TYR  25  12.334   9.666   7.785
  180    HD1  TYR  25           1HD      TYR  25  11.270   6.582   6.316
  181    HD2  TYR  25           2HD      TYR  25  11.555   8.652  10.061
  182    HE1  TYR  25           1HE      TYR  25   9.520   5.111   7.255
  183    HE2  TYR  25           2HE      TYR  25   9.803   7.181  11.005
  184    HH   TYR  25           HH       TYR  25   8.325   4.591   9.057
  185    H    ASN  26           H        ASN  26  12.317   6.794   4.249
  186    HA   ASN  26           HA       ASN  26  14.713   5.110   4.761
  187    HB2  ASN  26           2HB      ASN  26  13.130   3.076   4.405
  188    HB3  ASN  26           1HB      ASN  26  13.160   3.838   5.992
  189   HD21  ASN  26          1HD2      ASN  26  11.633   6.195   4.534
  190   HD22  ASN  26          2HD2      ASN  26  10.032   5.660   4.578
  191    H    GLN  27           H        GLN  27  12.959   6.852   2.622
  192    HA   GLN  27           HA       GLN  27  12.697   6.833   0.290
  193    HB2  GLN  27           2HB      GLN  27  15.371   5.441   0.602
  194    HB3  GLN  27           1HB      GLN  27  14.766   6.132  -0.904
  195    HG2  GLN  27           2HG      GLN  27  15.160   7.688   1.670
  196    HG3  GLN  27           1HG      GLN  27  16.285   7.696   0.310
  197   HE21  GLN  27          1HE2      GLN  27  13.790   9.472   1.618
  198   HE22  GLN  27          2HE2      GLN  27  13.214  10.226   0.210
  199    H    GLN  28           H        GLN  28  11.461   4.602   1.679
  200    HA   GLN  28           HA       GLN  28  11.587   2.539  -0.492
  201    HB2  GLN  28           2HB      GLN  28  11.270   2.221   2.496
  202    HB3  GLN  28           1HB      GLN  28  10.708   0.977   1.384
  203    HG2  GLN  28           2HG      GLN  28  13.538   2.062   1.443
  204    HG3  GLN  28           1HG      GLN  28  13.029   0.562   2.216
  205   HE21  GLN  28          1HE2      GLN  28  12.478  -1.263   0.824
  206   HE22  GLN  28          2HE2      GLN  28  12.864  -1.265  -0.830
  207    H    SER  29           H        SER  29   9.358   1.106   0.159
  208    HA   SER  29           HA       SER  29   7.122   3.102   0.138
  209    HB2  SER  29           2HB      SER  29   7.215   0.556  -1.505
  210    HB3  SER  29           1HB      SER  29   5.999   1.823  -1.566
  211    HG   SER  29           HG       SER  29   7.402   2.191  -3.236
  212    H    SER  30           H        SER  30   5.727   2.635   1.813
  213    HA   SER  30           HA       SER  30   5.780  -0.106   2.901
  214    HB2  SER  30           2HB      SER  30   5.569   0.743   5.039
  215    HB3  SER  30           1HB      SER  30   6.449   2.061   4.276
  216    HG   SER  30           HG       SER  30   4.509   3.137   3.974
  217    H    CYS  31           H        CYS  31   3.960  -1.272   2.483
  218    HA   CYS  31           HA       CYS  31   1.630  -0.010   1.395
  219    HB2  CYS  31           2HB      CYS  31   2.527  -2.637   1.563
  220    HB3  CYS  31           1HB      CYS  31   1.087  -2.624   2.571
  221    H    GLU  32           H        GLU  32  -0.350   0.481   2.299
  222    HA   GLU  32           HA       GLU  32  -0.674   0.016   5.245
  223    HB2  GLU  32           2HB      GLU  32  -0.360   2.166   5.898
  224    HB3  GLU  32           1HB      GLU  32   0.448   2.391   4.349
  225    HG2  GLU  32           2HG      GLU  32  -1.746   3.014   3.337
  226    HG3  GLU  32           1HG      GLU  32  -2.479   2.877   4.937
  227    H    ARG  33           H        ARG  33  -2.835  -0.341   5.711
  228    HA   ARG  33           HA       ARG  33  -4.701  -0.562   3.550
  229    HB2  ARG  33           2HB      ARG  33  -4.657  -1.398   6.194
  230    HB3  ARG  33           1HB      ARG  33  -5.891  -0.143   6.228
  231    HG2  ARG  33           2HG      ARG  33  -6.410  -1.655   3.882
  232    HG3  ARG  33           1HG      ARG  33  -6.050  -2.835   5.135
  233    HD2  ARG  33           2HD      ARG  33  -7.894  -0.619   5.891
  234    HD3  ARG  33           1HD      ARG  33  -8.509  -1.812   4.763
  235    HE   ARG  33           HE       ARG  33  -7.225  -2.823   7.293
  236   HH11  ARG  33          1HH2      ARG  33 -10.034  -2.163   5.304
  237   HH12  ARG  33          2HH2      ARG  33 -11.067  -3.245   6.177
  238   HH21  ARG  33          2HH1      ARG  33  -8.606  -4.232   8.405
  239   HH22  ARG  33          1HH1      ARG  33 -10.261  -4.412   7.928
  240    H    LYS  34           H        LYS  34  -5.353   1.239   2.433
  241    HA   LYS  34           HA       LYS  34  -5.231   3.854   3.527
  242    HB2  LYS  34           2HB      LYS  34  -6.550   4.486   1.435
  243    HB3  LYS  34           1HB      LYS  34  -4.991   3.704   1.177
  244    HG2  LYS  34           2HG      LYS  34  -6.092   1.547   0.836
  245    HG3  LYS  34           1HG      LYS  34  -7.662   2.268   1.189
  246    HD2  LYS  34           2HD      LYS  34  -7.418   3.758  -0.758
  247    HD3  LYS  34           1HD      LYS  34  -5.844   3.043  -1.112
  248    HE2  LYS  34           2HE      LYS  34  -6.901   0.845  -1.429
  249    HE3  LYS  34           1HE      LYS  34  -8.475   1.538  -1.038
  250    HZ1  LYS  34           3HZ      LYS  34  -6.755   2.349  -3.307
  251    HZ2  LYS  34           1HZ      LYS  34  -8.138   1.400  -3.420
  252    HZ3  LYS  34           2HZ      LYS  34  -8.257   3.006  -2.934
  253    H    TRP  35           H        TRP  35  -7.595   1.455   3.865
  254    HA   TRP  35           HA       TRP  35  -9.753   1.512   4.815
  255    HB2  TRP  35           2HB      TRP  35  -9.022   4.292   5.773
  256    HB3  TRP  35           1HB      TRP  35 -10.133   3.146   6.520
  257    HD1  TRP  35           HD       TRP  35  -6.536   4.149   6.410
  258    HE1  TRP  35           1HE      TRP  35  -5.154   2.609   7.950
  259    HE3  TRP  35           3HE      TRP  35 -10.024   0.566   7.429
  260    HZ2  TRP  35           2HZ      TRP  35  -5.488   0.176   9.418
  261    HZ3  TRP  35           3HZ      TRP  35  -9.472  -1.347   8.903
  262    HH2  TRP  35           HH       TRP  35  -7.209  -1.546   9.899
  263    H    LYS  36           H        LYS  36 -11.489   3.677   5.176
  264    HA   LYS  36           HA       LYS  36 -12.758   5.335   4.084
  265    HB2  LYS  36           2HB      LYS  36 -10.989   4.685   1.724
  266    HB3  LYS  36           1HB      LYS  36 -12.322   5.828   1.664
  267    HG2  LYS  36           2HG      LYS  36 -11.288   7.129   3.493
  268    HG3  LYS  36           1HG      LYS  36  -9.935   5.999   3.518
  269    HD2  LYS  36           2HD      LYS  36  -9.372   6.576   1.206
  270    HD3  LYS  36           1HD      LYS  36 -10.763   7.659   1.120
  271    HE2  LYS  36           2HE      LYS  36  -9.816   9.028   2.939
  272    HE3  LYS  36           1HE      LYS  36  -8.426   7.948   3.032
  273    HZ1  LYS  36           3HZ      LYS  36  -9.222   9.534   0.660
  274    HZ2  LYS  36           1HZ      LYS  36  -7.945   9.893   1.694
  275    HZ3  LYS  36           2HZ      LYS  36  -7.896   8.504   0.746
  276    H    TYR  37           H        TYR  37 -12.493   2.063   3.638
  277    HA   TYR  37           HA       TYR  37 -15.157   2.076   2.191
  278    HB2  TYR  37           2HB      TYR  37 -14.437  -0.050   1.066
  279    HB3  TYR  37           1HB      TYR  37 -13.538   1.370   0.545
  280    HD1  TYR  37           1HD      TYR  37 -11.239   1.781   1.399
  281    HD2  TYR  37           2HD      TYR  37 -13.357  -1.860   2.237
  282    HE1  TYR  37           1HE      TYR  37  -9.108   0.682   2.024
  283    HE2  TYR  37           2HE      TYR  37 -11.226  -2.952   2.875
  284    HH   TYR  37           HH       TYR  37  -8.142  -1.164   2.758
  285    H    LEU  38           H        LEU  38 -15.973   1.946   4.424
  286    HA   LEU  38           HA       LEU  38 -15.338  -0.233   6.137
  287    HB2  LEU  38           2HB      LEU  38 -17.142   2.010   6.138
  288    HB3  LEU  38           1HB      LEU  38 -18.050   0.566   6.574
  289    HG   LEU  38           HG       LEU  38 -16.607   0.103   8.426
  290   HD11  LEU  38          1HD1      LEU  38 -14.400   0.502   8.115
  291   HD12  LEU  38          2HD1      LEU  38 -14.743   2.149   8.644
  292   HD13  LEU  38          3HD1      LEU  38 -14.705   1.769   6.923
  293   HD21  LEU  38          3HD2      LEU  38 -16.954   3.114   8.373
  294   HD22  LEU  38          1HD2      LEU  38 -16.912   2.072   9.794
  295   HD23  LEU  38          2HD2      LEU  38 -18.273   1.982   8.676
  296    H    PHE  39           H        PHE  39 -16.712  -2.124   6.566
  297    HA   PHE  39           HA       PHE  39 -17.263  -4.141   5.297
  298    HB2  PHE  39           2HB      PHE  39 -19.207  -2.777   6.715
  299    HB3  PHE  39           1HB      PHE  39 -19.996  -3.045   5.162
  300    HD1  PHE  39           1HD      PHE  39 -19.835  -5.446   4.163
  301    HD2  PHE  39           2HD      PHE  39 -19.097  -4.511   8.289
  302    HE1  PHE  39           1HE      PHE  39 -20.212  -7.821   4.768
  303    HE2  PHE  39           2HE      PHE  39 -19.475  -6.884   8.897
  304    HZ   PHE  39           HZ       PHE  39 -20.033  -8.540   7.136
  305    H    THR  40           H        THR  40 -16.169  -3.636   3.258
  306    HA   THR  40           HA       THR  40 -18.038  -3.597   1.019
  307    HB   THR  40           HB       THR  40 -16.181  -1.262   1.543
  308    HG1  THR  40           1HG      THR  40 -18.798  -0.957   0.722
  309   HG21  THR  40          3HG2      THR  40 -16.138  -2.172  -0.873
  310   HG22  THR  40          1HG2      THR  40 -16.536  -0.468  -0.663
  311   HG23  THR  40          2HG2      THR  40 -17.816  -1.640  -0.967
  312    H    GLY  41           H        GLY  41 -17.034  -4.471  -0.845
  313    HA2  GLY  41           2HA      GLY  41 -14.740  -6.099  -0.459
  314    HA3  GLY  41           1HA      GLY  41 -15.411  -5.679  -2.035
  315    H    GLU  42           H        GLU  42 -12.561  -5.883  -1.061
  316    HA   GLU  42           HA       GLU  42 -11.725  -3.178  -2.117
  317    HB2  GLU  42           2HB      GLU  42 -11.682  -3.272   0.456
  318    HB3  GLU  42           1HB      GLU  42 -10.358  -4.421   0.273
  319    HG2  GLU  42           2HG      GLU  42  -9.619  -2.372  -1.448
  320    HG3  GLU  42           1HG      GLU  42 -10.374  -1.497  -0.120
  321    H    CYS  43           H        CYS  43  -9.526  -3.240  -2.998
  322    HA   CYS  43           HA       CYS  43  -7.763  -4.250  -4.157
  323    HB2  CYS  43           2HB      CYS  43  -6.642  -5.676  -2.809
  324    HB3  CYS  43           1HB      CYS  43  -8.059  -5.757  -1.769
  325    HXT  CYS  43           2HT      CYS  43  -9.931  -7.044  -3.827
  Start of MODEL    3
    1    H1   CYS   1           1H       CYS   1   5.590  -9.921  -0.723
    2    H2   CYS   1           2H       CYS   1   4.360 -10.868  -0.076
    3    H3   CYS   1           3H       CYS   1   4.527 -10.730  -1.743
    4    HA   CYS   1           HA       CYS   1   3.980  -8.383  -1.642
    5    HB2  CYS   1           2HB      CYS   1   1.624  -8.662  -1.133
    6    HB3  CYS   1           1HB      CYS   1   2.183 -10.143  -1.896
    7    H    GLY   2           H        GLY   2   4.161  -6.546  -0.353
    8    HA2  GLY   2           2HA      GLY   2   4.810  -6.822   2.462
    9    HA3  GLY   2           1HA      GLY   2   4.511  -5.298   1.619
   10    H    SER   3           H        SER   3   3.438  -6.613   4.223
   11    HA   SER   3           HA       SER   3   0.515  -6.493   3.638
   12    HB2  SER   3           2HB      SER   3   1.171  -8.436   4.928
   13    HB3  SER   3           1HB      SER   3   2.099  -7.438   6.044
   14    HG   SER   3           HG       SER   3   0.319  -7.253   7.125
   15    H    LYS   4           H        LYS   4   0.324  -5.788   6.681
   16    HA   LYS   4           HA       LYS   4  -0.090  -2.974   6.336
   17    HB2  LYS   4           2HB      LYS   4  -0.908  -4.657   8.220
   18    HB3  LYS   4           1HB      LYS   4   0.567  -4.149   9.033
   19    HG2  LYS   4           2HG      LYS   4  -1.317  -2.068   7.935
   20    HG3  LYS   4           1HG      LYS   4  -1.668  -2.834   9.482
   21    HD2  LYS   4           2HD      LYS   4   0.598  -2.188  10.284
   22    HD3  LYS   4           1HD      LYS   4   0.872  -1.359   8.750
   23    HE2  LYS   4           2HE      LYS   4  -1.039   0.125   9.198
   24    HE3  LYS   4           1HE      LYS   4  -1.323  -0.700  10.730
   25    HZ1  LYS   4           3HZ      LYS   4  -0.045   1.298  11.078
   26    HZ2  LYS   4           1HZ      LYS   4   1.137   0.785   9.976
   27    HZ3  LYS   4           2HZ      LYS   4   0.910  -0.060  11.434
   28    H    ARG   5           H        ARG   5   1.420  -1.344   6.316
   29    HA   ARG   5           HA       ARG   5   3.558  -0.440   6.180
   30    HB2  ARG   5           2HB      ARG   5   4.730  -0.333   8.355
   31    HB3  ARG   5           1HB      ARG   5   3.018   0.041   8.514
   32    HG2  ARG   5           2HG      ARG   5   2.603  -2.282   9.293
   33    HG3  ARG   5           1HG      ARG   5   4.319  -2.621   9.163
   34    HD2  ARG   5           2HD      ARG   5   4.863  -1.076  10.876
   35    HD3  ARG   5           1HD      ARG   5   3.255  -0.350  10.833
   36    HE   ARG   5           HE       ARG   5   2.431  -2.184  12.112
   37   HH11  ARG   5          1HH2      ARG   5   5.684  -2.613  11.044
   38   HH12  ARG   5          2HH2      ARG   5   5.963  -3.999  12.045
   39   HH21  ARG   5          2HH1      ARG   5   2.780  -3.982  13.415
   40   HH22  ARG   5          1HH1      ARG   5   4.320  -4.774  13.386
   41    H    ALA   6           H        ALA   6   4.443  -1.682   4.617
   42    HA   ALA   6           HA       ALA   6   6.728  -3.305   5.373
   43    HB1  ALA   6           1HB      ALA   6   5.233  -5.095   5.758
   44    HB2  ALA   6           2HB      ALA   6   5.795  -5.373   4.110
   45    HB3  ALA   6           3HB      ALA   6   4.211  -4.649   4.394
   46    H    TRP   7           H        TRP   7   8.148  -3.402   3.736
   47    HA   TRP   7           HA       TRP   7   8.133  -1.636   1.632
   48    HB2  TRP   7           2HB      TRP   7  10.228  -2.480   1.947
   49    HB3  TRP   7           1HB      TRP   7   9.640  -4.113   2.247
   50    HD1  TRP   7           HD       TRP   7   9.238  -1.850  -0.882
   51    HE1  TRP   7           1HE      TRP   7  10.047  -3.192  -2.929
   52    HE3  TRP   7           3HE      TRP   7  10.793  -6.123   1.428
   53    HZ2  TRP   7           2HZ      TRP   7  11.206  -5.744  -3.505
   54    HZ3  TRP   7           3HZ      TRP   7  11.744  -7.992   0.110
   55    HH2  TRP   7           HH       TRP   7  11.952  -7.806  -2.354
   56    H    CYS   8           H        CYS   8   7.260  -1.483  -0.328
   57    HA   CYS   8           HA       CYS   8   5.946  -3.910  -1.545
   58    HB2  CYS   8           2HB      CYS   8   4.043  -2.720  -1.695
   59    HB3  CYS   8           1HB      CYS   8   4.801  -1.374  -0.847
   60    H    LYS   9           H        LYS   9   6.184  -4.010  -3.906
   61    HA   LYS   9           HA       LYS   9   8.528  -2.459  -4.915
   62    HB2  LYS   9           2HB      LYS   9   8.348  -5.034  -5.055
   63    HB3  LYS   9           1HB      LYS   9   7.164  -4.755  -6.324
   64    HG2  LYS   9           2HG      LYS   9   8.925  -4.649  -7.753
   65    HG3  LYS   9           1HG      LYS   9   9.228  -3.057  -7.066
   66    HD2  LYS   9           2HD      LYS   9  10.338  -5.225  -5.417
   67    HD3  LYS   9           1HD      LYS   9  11.001  -5.210  -7.044
   68    HE2  LYS   9           2HE      LYS   9  12.428  -3.779  -5.810
   69    HE3  LYS   9           1HE      LYS   9  11.367  -2.680  -6.685
   70    HZ1  LYS   9           3HZ      LYS   9  11.715  -2.942  -3.909
   71    HZ2  LYS   9           1HZ      LYS   9  10.109  -3.340  -4.286
   72    HZ3  LYS   9           2HZ      LYS   9  10.742  -1.834  -4.753
   73    H    GLU  10           H        GLU  10   5.109  -2.965  -5.392
   74    HA   GLU  10           HA       GLU  10   5.005  -0.687  -7.291
   75    HB2  GLU  10           2HB      GLU  10   3.396  -3.177  -7.873
   76    HB3  GLU  10           1HB      GLU  10   3.778  -1.838  -8.953
   77    HG2  GLU  10           2HG      GLU  10   6.091  -2.537  -9.106
   78    HG3  GLU  10           1HG      GLU  10   5.844  -3.772  -7.874
   79    H    LYS  11           H        LYS  11   2.508  -0.328  -7.798
   80    HA   LYS  11           HA       LYS  11   1.217   0.379  -5.352
   81    HB2  LYS  11           2HB      LYS  11   0.769   1.421  -7.548
   82    HB3  LYS  11           1HB      LYS  11   0.020  -0.067  -8.096
   83    HG2  LYS  11           2HG      LYS  11  -1.561   0.219  -6.062
   84    HG3  LYS  11           1HG      LYS  11  -0.921   1.862  -5.965
   85    HD2  LYS  11           2HD      LYS  11  -1.553   2.207  -8.362
   86    HD3  LYS  11           1HD      LYS  11  -2.297   0.609  -8.355
   87    HE2  LYS  11           2HE      LYS  11  -3.457   1.726  -6.142
   88    HE3  LYS  11           1HE      LYS  11  -3.280   3.137  -7.184
   89    HZ1  LYS  11           3HZ      LYS  11  -5.083   2.427  -8.236
   90    HZ2  LYS  11           1HZ      LYS  11  -5.077   0.942  -7.418
   91    HZ3  LYS  11           2HZ      LYS  11  -4.162   1.132  -8.837
   92    H    LYS  12           H        LYS  12   0.632  -2.309  -7.621
   93    HA   LYS  12           HA       LYS  12  -1.325  -3.517  -5.797
   94    HB2  LYS  12           2HB      LYS  12  -1.474  -3.652  -8.327
   95    HB3  LYS  12           1HB      LYS  12  -0.099  -4.758  -8.272
   96    HG2  LYS  12           2HG      LYS  12  -1.346  -6.295  -6.832
   97    HG3  LYS  12           1HG      LYS  12  -2.704  -5.172  -6.776
   98    HD2  LYS  12           2HD      LYS  12  -3.001  -5.394  -9.211
   99    HD3  LYS  12           1HD      LYS  12  -1.647  -6.522  -9.278
  100    HE2  LYS  12           2HE      LYS  12  -2.857  -8.065  -7.773
  101    HE3  LYS  12           1HE      LYS  12  -4.212  -6.937  -7.708
  102    HZ1  LYS  12           3HZ      LYS  12  -4.085  -7.141 -10.278
  103    HZ2  LYS  12           1HZ      LYS  12  -4.864  -8.349  -9.376
  104    HZ3  LYS  12           2HZ      LYS  12  -3.282  -8.601  -9.945
  105    H    ASP  13           H        ASP  13   2.087  -3.753  -6.404
  106    HA   ASP  13           HA       ASP  13   2.730  -6.357  -5.676
  107    HB2  ASP  13           2HB      ASP  13   4.283  -4.332  -6.182
  108    HB3  ASP  13           1HB      ASP  13   4.230  -4.072  -4.435
  109    H    CYS  14           H        CYS  14   1.008  -4.111  -3.750
  110    HA   CYS  14           HA       CYS  14   1.856  -5.248  -1.202
  111    HB2  CYS  14           2HB      CYS  14  -0.303  -3.309  -2.052
  112    HB3  CYS  14           1HB      CYS  14  -0.130  -3.873  -0.411
  113    H    CYS  15           H        CYS  15   0.843  -6.966  -0.239
  114    HA   CYS  15           HA       CYS  15  -0.647  -8.832  -1.591
  115    HB2  CYS  15           2HB      CYS  15  -0.037  -8.293   1.155
  116    HB3  CYS  15           1HB      CYS  15  -1.725  -8.773   1.052
  117    H    CYS  16           H        CYS  16  -2.833  -9.233  -1.975
  118    HA   CYS  16           HA       CYS  16  -4.490  -7.108  -2.675
  119    HB2  CYS  16           2HB      CYS  16  -4.747  -9.994  -2.286
  120    HB3  CYS  16           1HB      CYS  16  -6.244  -9.145  -1.936
  121    H    GLY  17           H        GLY  17  -5.570  -5.611  -1.475
  122    HA2  GLY  17           2HA      GLY  17  -7.144  -5.058   0.332
  123    HA3  GLY  17           1HA      GLY  17  -6.401  -6.325   1.308
  124    H    TYR  18           H        TYR  18  -3.911  -4.876  -0.304
  125    HA   TYR  18           HA       TYR  18  -3.546  -2.769   1.856
  126    HB2  TYR  18           2HB      TYR  18  -1.518  -4.776   0.841
  127    HB3  TYR  18           1HB      TYR  18  -1.132  -3.414   1.888
  128    HD1  TYR  18           2HD      TYR  18  -2.859  -6.661   1.649
  129    HD2  TYR  18           1HD      TYR  18  -1.809  -3.392   4.230
  130    HE1  TYR  18           2HE      TYR  18  -3.500  -8.015   3.623
  131    HE2  TYR  18           1HE      TYR  18  -2.447  -4.749   6.205
  132    HH   TYR  18           HH       TYR  18  -3.183  -8.146   5.944
  133    H    ASN  19           H        ASN  19  -2.595  -0.846   1.134
  134    HA   ASN  19           HA       ASN  19  -2.233  -0.623  -1.838
  135    HB2  ASN  19           2HB      ASN  19  -2.215   1.947  -0.896
  136    HB3  ASN  19           1HB      ASN  19  -3.684   1.098  -1.369
  137   HD21  ASN  19          1HD2      ASN  19  -1.995   2.487   1.312
  138   HD22  ASN  19          2HD2      ASN  19  -3.085   2.004   2.516
  139    H    CYS  20           H        CYS  20  -0.347   0.713  -2.612
  140    HA   CYS  20           HA       CYS  20   1.995   0.217  -0.856
  141    HB2  CYS  20           2HB      CYS  20   2.052  -0.427  -3.286
  142    HB3  CYS  20           1HB      CYS  20   1.977   1.287  -3.693
  143    H    VAL  21           H        VAL  21   2.485   1.790   0.557
  144    HA   VAL  21           HA       VAL  21   1.800   4.613  -0.012
  145    HB   VAL  21           HB       VAL  21   3.067   3.266   2.396
  146   HG11  VAL  21          1HG1      VAL  21   3.389   5.912   1.739
  147   HG12  VAL  21          2HG1      VAL  21   3.372   5.297   3.388
  148   HG13  VAL  21          3HG1      VAL  21   1.905   5.974   2.684
  149   HG21  VAL  21          3HG2      VAL  21   0.620   2.803   1.864
  150   HG22  VAL  21          1HG2      VAL  21   0.323   4.521   2.132
  151   HG23  VAL  21          2HG2      VAL  21   0.926   3.515   3.448
  152    H    TYR  22           H        TYR  22   3.278   6.117  -0.720
  153    HA   TYR  22           HA       TYR  22   5.995   5.097  -1.326
  154    HB2  TYR  22           2HB      TYR  22   4.860   6.560  -2.923
  155    HB3  TYR  22           1HB      TYR  22   4.739   7.829  -1.704
  156    HD1  TYR  22           2HD      TYR  22   7.620   5.546  -2.489
  157    HD2  TYR  22           1HD      TYR  22   6.101   9.567  -2.489
  158    HE1  TYR  22           2HE      TYR  22   9.862   6.391  -3.114
  159    HE2  TYR  22           1HE      TYR  22   8.345  10.410  -3.119
  160    HH   TYR  22           HH       TYR  22  10.833   8.384  -4.220
  161    H    ALA  23           H        ALA  23   7.703   5.255   0.014
  162    HA   ALA  23           HA       ALA  23   7.515   7.195   2.282
  163    HB1  ALA  23           1HB      ALA  23   8.003   5.479   3.643
  164    HB2  ALA  23           2HB      ALA  23   9.487   5.153   2.749
  165    HB3  ALA  23           3HB      ALA  23   7.974   4.393   2.258
  166    H    TRP  24           H        TRP  24   8.824   8.852   2.101
  167    HA   TRP  24           HA       TRP  24  10.805   9.268   0.167
  168    HB2  TRP  24           2HB      TRP  24  11.579  11.123   1.646
  169    HB3  TRP  24           1HB      TRP  24   9.841  11.115   1.361
  170    HD1  TRP  24           HD       TRP  24   9.994   8.423   3.633
  171    HE1  TRP  24           1HE      TRP  24   9.722   9.153   6.083
  172    HE3  TRP  24           3HE      TRP  24  10.960  13.419   3.180
  173    HZ2  TRP  24           2HZ      TRP  24   9.897  11.534   7.653
  174    HZ3  TRP  24           3HZ      TRP  24  10.907  14.892   5.171
  175    HH2  TRP  24           HH       TRP  24  10.376  13.957   7.405
  176    H    TYR  25           H        TYR  25  11.085   7.185   2.924
  177    HA   TYR  25           HA       TYR  25  14.073   7.625   2.978
  178    HB2  TYR  25           2HB      TYR  25  14.070   6.044   4.875
  179    HB3  TYR  25           1HB      TYR  25  12.969   7.391   5.147
  180    HD1  TYR  25           1HD      TYR  25  13.133   3.819   4.090
  181    HD2  TYR  25           2HD      TYR  25  10.649   7.036   5.477
  182    HE1  TYR  25           1HE      TYR  25  11.269   2.224   4.454
  183    HE2  TYR  25           2HE      TYR  25   8.786   5.443   5.840
  184    HH   TYR  25           HH       TYR  25   8.413   2.730   4.527
  185    H    ASN  26           H        ASN  26  15.469   6.324   1.939
  186    HA   ASN  26           HA       ASN  26  16.241   4.611   0.539
  187    HB2  ASN  26           2HB      ASN  26  14.176   2.926   1.996
  188    HB3  ASN  26           1HB      ASN  26  15.625   2.352   1.172
  189   HD21  ASN  26          1HD2      ASN  26  14.566   2.684   4.213
  190   HD22  ASN  26          2HD2      ASN  26  15.991   3.152   5.007
  191    H    GLN  27           H        GLN  27  14.017   6.279  -0.417
  192    HA   GLN  27           HA       GLN  27  12.108   6.149  -1.868
  193    HB2  GLN  27           2HB      GLN  27  14.648   5.466  -3.053
  194    HB3  GLN  27           1HB      GLN  27  13.383   4.553  -3.871
  195    HG2  GLN  27           2HG      GLN  27  13.481   6.593  -5.065
  196    HG3  GLN  27           1HG      GLN  27  12.103   6.804  -3.989
  197   HE21  GLN  27          1HE2      GLN  27  13.029   7.655  -1.625
  198   HE22  GLN  27          2HE2      GLN  27  14.050   9.000  -1.762
  199    H    GLN  28           H        GLN  28  11.809   4.267   0.103
  200    HA   GLN  28           HA       GLN  28  10.915   1.782  -1.305
  201    HB2  GLN  28           2HB      GLN  28  12.581   1.456   0.485
  202    HB3  GLN  28           1HB      GLN  28  11.544   2.317   1.619
  203    HG2  GLN  28           2HG      GLN  28  10.286   0.029   0.194
  204    HG3  GLN  28           1HG      GLN  28  11.539  -0.381   1.366
  205   HE21  GLN  28          1HE2      GLN  28  10.555  -0.872   3.323
  206   HE22  GLN  28          2HE2      GLN  28   9.267  -0.090   4.012
  207    H    SER  29           H        SER  29   8.820   0.861  -0.422
  208    HA   SER  29           HA       SER  29   7.006   3.040   0.560
  209    HB2  SER  29           2HB      SER  29   6.574   0.965  -1.584
  210    HB3  SER  29           1HB      SER  29   5.222   1.730  -0.758
  211    HG   SER  29           HG       SER  29   5.571   3.463  -1.891
  212    H    SER  30           H        SER  30   5.373   2.400   2.013
  213    HA   SER  30           HA       SER  30   5.761  -0.271   3.207
  214    HB2  SER  30           2HB      SER  30   5.370   0.632   5.285
  215    HB3  SER  30           1HB      SER  30   5.970   2.080   4.485
  216    HG   SER  30           HG       SER  30   3.595   1.676   5.572
  217    H    CYS  31           H        CYS  31   4.163  -1.714   2.667
  218    HA   CYS  31           HA       CYS  31   1.694  -0.902   1.439
  219    HB2  CYS  31           2HB      CYS  31   2.530  -3.503   2.735
  220    HB3  CYS  31           1HB      CYS  31   1.004  -3.294   1.890
  221    H    GLU  32           H        GLU  32  -0.226  -0.251   2.408
  222    HA   GLU  32           HA       GLU  32  -0.688  -1.013   5.243
  223    HB2  GLU  32           2HB      GLU  32  -0.644   1.861   4.271
  224    HB3  GLU  32           1HB      GLU  32  -1.183   1.338   5.868
  225    HG2  GLU  32           2HG      GLU  32   1.052   0.367   6.292
  226    HG3  GLU  32           1HG      GLU  32   1.584   0.930   4.715
  227    H    ARG  33           H        ARG  33  -2.802  -1.370   5.656
  228    HA   ARG  33           HA       ARG  33  -4.749  -1.222   3.494
  229    HB2  ARG  33           2HB      ARG  33  -4.993  -3.064   4.959
  230    HB3  ARG  33           1HB      ARG  33  -4.848  -2.055   6.394
  231    HG2  ARG  33           2HG      ARG  33  -7.102  -1.320   4.608
  232    HG3  ARG  33           1HG      ARG  33  -7.240  -2.920   5.329
  233    HD2  ARG  33           2HD      ARG  33  -6.360  -0.986   7.316
  234    HD3  ARG  33           1HD      ARG  33  -7.863  -0.468   6.563
  235    HE   ARG  33           HE       ARG  33  -8.710  -2.835   7.148
  236   HH11  ARG  33          1HH2      ARG  33  -6.192  -1.208   8.893
  237   HH12  ARG  33          2HH2      ARG  33  -6.492  -2.066  10.365
  238   HH21  ARG  33          2HH1      ARG  33  -9.097  -3.942   9.085
  239   HH22  ARG  33          1HH1      ARG  33  -8.120  -3.599  10.474
  240    H    LYS  34           H        LYS  34  -5.520   0.872   2.960
  241    HA   LYS  34           HA       LYS  34  -7.237   2.235   4.704
  242    HB2  LYS  34           2HB      LYS  34  -5.736   4.309   5.031
  243    HB3  LYS  34           1HB      LYS  34  -5.485   2.920   6.079
  244    HG2  LYS  34           2HG      LYS  34  -3.560   2.216   4.881
  245    HG3  LYS  34           1HG      LYS  34  -3.936   3.263   3.513
  246    HD2  LYS  34           2HD      LYS  34  -2.153   4.314   4.766
  247    HD3  LYS  34           1HD      LYS  34  -3.625   5.246   5.038
  248    HE2  LYS  34           2HE      LYS  34  -3.560   3.208   7.030
  249    HE3  LYS  34           1HE      LYS  34  -1.958   3.939   6.983
  250    HZ1  LYS  34           3HZ      LYS  34  -2.782   6.007   7.491
  251    HZ2  LYS  34           1HZ      LYS  34  -3.800   5.011   8.413
  252    HZ3  LYS  34           2HZ      LYS  34  -4.348   5.652   6.937
  253    H    TRP  35           H        TRP  35  -7.260   1.590   1.943
  254    HA   TRP  35           HA       TRP  35  -7.285   4.340   0.739
  255    HB2  TRP  35           2HB      TRP  35  -6.374   1.714  -0.373
  256    HB3  TRP  35           1HB      TRP  35  -7.156   2.844  -1.475
  257    HD1  TRP  35           HD       TRP  35  -4.621   3.392   1.395
  258    HE1  TRP  35           1HE      TRP  35  -2.678   4.822   0.503
  259    HE3  TRP  35           3HE      TRP  35  -6.080   3.922  -3.475
  260    HZ2  TRP  35           2HZ      TRP  35  -1.845   6.028  -1.944
  261    HZ3  TRP  35           3HZ      TRP  35  -4.685   5.222  -5.062
  262    HH2  TRP  35           HH       TRP  35  -2.572   6.273  -4.303
  263    H    LYS  36           H        LYS  36  -8.754   3.711  -1.552
  264    HA   LYS  36           HA       LYS  36 -11.430   3.763  -0.552
  265    HB2  LYS  36           2HB      LYS  36 -10.655   4.648  -2.793
  266    HB3  LYS  36           1HB      LYS  36 -10.582   2.978  -3.353
  267    HG2  LYS  36           2HG      LYS  36 -12.975   2.688  -2.822
  268    HG3  LYS  36           1HG      LYS  36 -13.053   4.357  -2.260
  269    HD2  LYS  36           2HD      LYS  36 -12.400   5.144  -4.512
  270    HD3  LYS  36           1HD      LYS  36 -12.343   3.472  -5.075
  271    HE2  LYS  36           2HE      LYS  36 -14.497   4.058  -5.723
  272    HE3  LYS  36           1HE      LYS  36 -14.816   3.408  -4.114
  273    HZ1  LYS  36           3HZ      LYS  36 -14.731   5.636  -3.216
  274    HZ2  LYS  36           1HZ      LYS  36 -15.884   5.561  -4.457
  275    HZ3  LYS  36           2HZ      LYS  36 -14.370   6.277  -4.746
  276    H    TYR  37           H        TYR  37 -10.946   1.734   0.887
  277    HA   TYR  37           HA       TYR  37 -11.729  -0.723  -0.723
  278    HB2  TYR  37           2HB      TYR  37  -9.816  -0.294   1.506
  279    HB3  TYR  37           1HB      TYR  37 -10.808  -1.747   1.629
  280    HD1  TYR  37           1HD      TYR  37  -8.615   0.134  -0.753
  281    HD2  TYR  37           2HD      TYR  37 -10.281  -3.658   0.381
  282    HE1  TYR  37           1HE      TYR  37  -7.189  -0.997  -2.439
  283    HE2  TYR  37           2HE      TYR  37  -8.856  -4.790  -1.300
  284    HH   TYR  37           HH       TYR  37  -7.117  -3.049  -3.704
  285    H    LEU  38           H        LEU  38 -13.707   1.083   0.039
  286    HA   LEU  38           HA       LEU  38 -14.871   0.556   2.565
  287    HB2  LEU  38           2HB      LEU  38 -15.554   2.457   1.119
  288    HB3  LEU  38           1HB      LEU  38 -16.251   1.317  -0.028
  289    HG   LEU  38           HG       LEU  38 -17.744   0.479   1.824
  290   HD11  LEU  38          1HD1      LEU  38 -16.347   2.731   3.266
  291   HD12  LEU  38          2HD1      LEU  38 -16.674   1.093   3.832
  292   HD13  LEU  38          3HD1      LEU  38 -17.986   2.264   3.714
  293   HD21  LEU  38          3HD2      LEU  38 -18.512   2.133   0.147
  294   HD22  LEU  38          1HD2      LEU  38 -17.941   3.438   1.185
  295   HD23  LEU  38          2HD2      LEU  38 -19.269   2.407   1.717
  296    H    PHE  39           H        PHE  39 -15.277  -0.949  -0.613
  297    HA   PHE  39           HA       PHE  39 -15.757  -3.564   0.361
  298    HB2  PHE  39           2HB      PHE  39 -17.970  -2.018   0.906
  299    HB3  PHE  39           1HB      PHE  39 -18.385  -2.643  -0.683
  300    HD1  PHE  39           1HD      PHE  39 -16.971  -3.809   2.589
  301    HD2  PHE  39           2HD      PHE  39 -19.407  -4.749  -0.821
  302    HE1  PHE  39           1HE      PHE  39 -17.581  -5.977   3.625
  303    HE2  PHE  39           2HE      PHE  39 -20.016  -6.921   0.214
  304    HZ   PHE  39           HZ       PHE  39 -19.102  -7.534   2.438
  305    H    THR  40           H        THR  40 -14.157  -3.025  -1.578
  306    HA   THR  40           HA       THR  40 -15.423  -2.828  -4.205
  307    HB   THR  40           HB       THR  40 -13.236  -2.771  -5.088
  308    HG1  THR  40           1HG      THR  40 -11.703  -3.469  -3.040
  309   HG21  THR  40          3HG2      THR  40 -11.961  -1.291  -3.543
  310   HG22  THR  40          1HG2      THR  40 -13.097  -1.698  -2.259
  311   HG23  THR  40          2HG2      THR  40 -13.656  -0.822  -3.683
  312    H    GLY  41           H        GLY  41 -15.065  -5.344  -2.042
  313    HA2  GLY  41           2HA      GLY  41 -15.384  -7.664  -2.300
  314    HA3  GLY  41           1HA      GLY  41 -15.922  -7.320  -3.948
  315    H    GLU  42           H        GLU  42 -13.216  -8.247  -1.970
  316    HA   GLU  42           HA       GLU  42 -11.069  -8.972  -2.500
  317    HB2  GLU  42           2HB      GLU  42 -11.024 -10.648  -4.059
  318    HB3  GLU  42           1HB      GLU  42 -12.768 -10.423  -4.026
  319    HG2  GLU  42           2HG      GLU  42 -12.637  -8.962  -5.999
  320    HG3  GLU  42           1HG      GLU  42 -10.880  -9.095  -6.004
  321    H    CYS  43           H        CYS  43  -9.466  -7.552  -2.751
  322    HA   CYS  43           HA       CYS  43  -8.898  -5.231  -3.562
  323    HB2  CYS  43           2HB      CYS  43  -7.299  -6.356  -5.565
  324    HB3  CYS  43           1HB      CYS  43  -6.858  -6.166  -3.869
  325    HXT  CYS  43           2HT      CYS  43  -8.747  -6.919  -6.445
  Start of MODEL    4
    1    H1   CYS   1           1H       CYS   1   5.213 -10.094  -1.407
    2    H2   CYS   1           2H       CYS   1   3.811 -10.876  -0.905
    3    H3   CYS   1           3H       CYS   1   4.097 -10.633  -2.544
    4    HA   CYS   1           HA       CYS   1   3.932  -8.248  -2.258
    5    HB2  CYS   1           2HB      CYS   1   1.513  -8.167  -1.743
    6    HB3  CYS   1           1HB      CYS   1   1.878  -9.508  -2.817
    7    H    GLY   2           H        GLY   2   3.846  -6.458  -0.810
    8    HA2  GLY   2           2HA      GLY   2   4.716  -6.982   1.898
    9    HA3  GLY   2           1HA      GLY   2   4.233  -5.406   1.263
   10    H    SER   3           H        SER   3   3.498  -6.984   3.801
   11    HA   SER   3           HA       SER   3   0.527  -7.010   3.441
   12    HB2  SER   3           2HB      SER   3   2.265  -8.264   5.588
   13    HB3  SER   3           1HB      SER   3   0.507  -8.334   5.549
   14    HG   SER   3           HG       SER   3   2.400  -9.541   3.860
   15    H    LYS   4           H        LYS   4   0.113  -6.799   6.350
   16    HA   LYS   4           HA       LYS   4  -0.208  -4.011   6.610
   17    HB2  LYS   4           2HB      LYS   4  -1.165  -5.961   8.054
   18    HB3  LYS   4           1HB      LYS   4   0.324  -5.813   8.984
   19    HG2  LYS   4           2HG      LYS   4  -1.063  -3.241   8.477
   20    HG3  LYS   4           1HG      LYS   4  -1.961  -4.373   9.485
   21    HD2  LYS   4           2HD      LYS   4  -0.042  -4.597  10.993
   22    HD3  LYS   4           1HD      LYS   4   0.905  -3.526   9.968
   23    HE2  LYS   4           2HE      LYS   4   0.080  -2.161  11.751
   24    HE3  LYS   4           1HE      LYS   4  -0.903  -1.769  10.340
   25    HZ1  LYS   4           3HZ      LYS   4  -2.202  -3.871  11.473
   26    HZ2  LYS   4           1HZ      LYS   4  -2.634  -2.238  11.633
   27    HZ3  LYS   4           2HZ      LYS   4  -1.669  -2.981  12.819
   28    H    ARG   5           H        ARG   5   1.338  -2.479   6.686
   29    HA   ARG   5           HA       ARG   5   3.389  -1.470   6.977
   30    HB2  ARG   5           2HB      ARG   5   2.559  -2.336   9.436
   31    HB3  ARG   5           1HB      ARG   5   4.124  -3.131   9.316
   32    HG2  ARG   5           2HG      ARG   5   4.813  -1.104  10.157
   33    HG3  ARG   5           1HG      ARG   5   4.856  -0.693   8.448
   34    HD2  ARG   5           2HD      ARG   5   2.765   0.020  10.507
   35    HD3  ARG   5           1HD      ARG   5   3.619   1.077   9.400
   36    HE   ARG   5           HE       ARG   5   2.189  -0.614   7.727
   37   HH11  ARG   5          1HH2      ARG   5   1.511   1.440  10.405
   38   HH12  ARG   5          2HH2      ARG   5  -0.106   1.794   9.898
   39   HH21  ARG   5          2HH1      ARG   5   0.071  -0.177   7.053
   40   HH22  ARG   5          1HH1      ARG   5  -0.922   0.878   8.002
   41    H    ALA   6           H        ALA   6   4.347  -2.277   5.170
   42    HA   ALA   6           HA       ALA   6   6.700  -3.885   5.510
   43    HB1  ALA   6           1HB      ALA   6   4.243  -5.332   5.032
   44    HB2  ALA   6           2HB      ALA   6   5.868  -5.975   5.259
   45    HB3  ALA   6           3HB      ALA   6   5.316  -5.528   3.645
   46    H    TRP   7           H        TRP   7   8.036  -3.151   4.000
   47    HA   TRP   7           HA       TRP   7   7.595  -1.226   2.130
   48    HB2  TRP   7           2HB      TRP   7   9.837  -1.714   2.319
   49    HB3  TRP   7           1HB      TRP   7   9.564  -3.455   2.274
   50    HD1  TRP   7           HD       TRP   7   8.846  -0.563  -0.204
   51    HE1  TRP   7           1HE      TRP   7   9.638  -1.303  -2.537
   52    HE3  TRP   7           3HE      TRP   7  10.634  -5.207   0.917
   53    HZ2  TRP   7           2HZ      TRP   7  10.871  -3.572  -3.770
   54    HZ3  TRP   7           3HZ      TRP   7  11.609  -6.639  -0.854
   55    HH2  TRP   7           HH       TRP   7  11.729  -5.828  -3.194
   56    H    CYS   8           H        CYS   8   6.785  -1.025   0.096
   57    HA   CYS   8           HA       CYS   8   5.595  -3.502  -1.138
   58    HB2  CYS   8           2HB      CYS   8   3.769  -2.310  -1.731
   59    HB3  CYS   8           1HB      CYS   8   4.234  -1.215  -0.442
   60    H    LYS   9           H        LYS   9   6.117  -3.940  -3.243
   61    HA   LYS   9           HA       LYS   9   8.431  -2.503  -4.345
   62    HB2  LYS   9           2HB      LYS   9   8.104  -5.044  -4.238
   63    HB3  LYS   9           1HB      LYS   9   6.954  -4.845  -5.556
   64    HG2  LYS   9           2HG      LYS   9   8.590  -4.176  -7.073
   65    HG3  LYS   9           1HG      LYS   9   9.695  -3.638  -5.810
   66    HD2  LYS   9           2HD      LYS   9  10.723  -5.650  -5.807
   67    HD3  LYS   9           1HD      LYS   9   9.199  -6.465  -5.463
   68    HE2  LYS   9           2HE      LYS   9  10.056  -5.587  -8.230
   69    HE3  LYS   9           1HE      LYS   9  10.285  -7.216  -7.595
   70    HZ1  LYS   9           3HZ      LYS   9   7.620  -6.036  -7.401
   71    HZ2  LYS   9           1HZ      LYS   9   8.072  -7.653  -7.640
   72    HZ3  LYS   9           2HZ      LYS   9   8.142  -6.552  -8.932
   73    H    GLU  10           H        GLU  10   5.039  -3.076  -5.114
   74    HA   GLU  10           HA       GLU  10   5.019  -0.686  -6.833
   75    HB2  GLU  10           2HB      GLU  10   3.837  -3.216  -7.970
   76    HB3  GLU  10           1HB      GLU  10   4.233  -1.718  -8.803
   77    HG2  GLU  10           2HG      GLU  10   6.646  -2.164  -8.437
   78    HG3  GLU  10           1HG      GLU  10   6.231  -3.694  -7.662
   79    H    LYS  11           H        LYS  11   2.717  -0.093  -7.361
   80    HA   LYS  11           HA       LYS  11   1.070  -0.255  -5.065
   81    HB2  LYS  11           2HB      LYS  11  -0.086   1.326  -6.180
   82    HB3  LYS  11           1HB      LYS  11   1.012   1.097  -7.531
   83    HG2  LYS  11           2HG      LYS  11  -0.466  -0.674  -8.419
   84    HG3  LYS  11           1HG      LYS  11  -1.582  -0.409  -7.084
   85    HD2  LYS  11           2HD      LYS  11  -2.431   1.494  -8.007
   86    HD3  LYS  11           1HD      LYS  11  -0.848   2.056  -8.548
   87    HE2  LYS  11           2HE      LYS  11  -2.555   1.404 -10.372
   88    HE3  LYS  11           1HE      LYS  11  -0.928   0.734 -10.509
   89    HZ1  LYS  11           3HZ      LYS  11  -3.429  -0.593  -9.823
   90    HZ2  LYS  11           1HZ      LYS  11  -2.039  -1.116  -9.004
   91    HZ3  LYS  11           2HZ      LYS  11  -2.094  -1.172 -10.701
   92    H    LYS  12           H        LYS  12   1.291  -2.340  -7.907
   93    HA   LYS  12           HA       LYS  12  -1.042  -3.897  -7.039
   94    HB2  LYS  12           2HB      LYS  12   0.100  -5.403  -8.982
   95    HB3  LYS  12           1HB      LYS  12  -1.054  -4.127  -9.311
   96    HG2  LYS  12           2HG      LYS  12   1.808  -3.305  -9.090
   97    HG3  LYS  12           1HG      LYS  12   1.394  -4.295 -10.481
   98    HD2  LYS  12           2HD      LYS  12  -0.665  -2.416 -10.428
   99    HD3  LYS  12           1HD      LYS  12   0.752  -1.485  -9.950
  100    HE2  LYS  12           2HE      LYS  12   0.567  -1.431 -12.366
  101    HE3  LYS  12           1HE      LYS  12   1.969  -2.406 -11.924
  102    HZ1  LYS  12           3HZ      LYS  12   0.275  -3.296 -13.645
  103    HZ2  LYS  12           1HZ      LYS  12  -0.645  -3.699 -12.279
  104    HZ3  LYS  12           2HZ      LYS  12   0.913  -4.348 -12.474
  105    H    ASP  13           H        ASP  13   2.188  -3.730  -6.124
  106    HA   ASP  13           HA       ASP  13   2.476  -6.643  -5.732
  107    HB2  ASP  13           2HB      ASP  13   4.256  -4.383  -5.936
  108    HB3  ASP  13           1HB      ASP  13   4.635  -5.327  -4.501
  109    H    CYS  14           H        CYS  14   0.799  -4.394  -3.993
  110    HA   CYS  14           HA       CYS  14   1.811  -5.220  -1.360
  111    HB2  CYS  14           2HB      CYS  14  -0.312  -3.323  -2.346
  112    HB3  CYS  14           1HB      CYS  14  -0.294  -3.844  -0.679
  113    H    CYS  15           H        CYS  15   0.691  -6.707  -0.044
  114    HA   CYS  15           HA       CYS  15  -0.758  -8.754  -1.249
  115    HB2  CYS  15           2HB      CYS  15  -0.886  -7.778   1.615
  116    HB3  CYS  15           1HB      CYS  15  -1.395  -9.346   1.048
  117    H    CYS  16           H        CYS  16  -2.993  -9.162  -1.423
  118    HA   CYS  16           HA       CYS  16  -4.652  -7.028  -2.081
  119    HB2  CYS  16           2HB      CYS  16  -5.016  -9.892  -1.426
  120    HB3  CYS  16           1HB      CYS  16  -6.453  -8.893  -1.343
  121    H    GLY  17           H        GLY  17  -5.417  -5.421  -0.831
  122    HA2  GLY  17           2HA      GLY  17  -7.014  -4.913   1.049
  123    HA3  GLY  17           1HA      GLY  17  -6.057  -6.013   2.039
  124    H    TYR  18           H        TYR  18  -3.661  -4.771   0.362
  125    HA   TYR  18           HA       TYR  18  -3.437  -2.264   2.084
  126    HB2  TYR  18           2HB      TYR  18  -1.168  -4.103   1.307
  127    HB3  TYR  18           1HB      TYR  18  -1.124  -2.773   2.460
  128    HD1  TYR  18           2HD      TYR  18  -2.269  -6.211   1.844
  129    HD2  TYR  18           1HD      TYR  18  -2.028  -3.026   4.710
  130    HE1  TYR  18           2HE      TYR  18  -2.848  -7.801   3.647
  131    HE2  TYR  18           1HE      TYR  18  -2.606  -4.619   6.523
  132    HH   TYR  18           HH       TYR  18  -2.817  -8.082   5.923
  133    H    ASN  19           H        ASN  19  -2.468  -0.470   1.022
  134    HA   ASN  19           HA       ASN  19  -2.014  -0.832  -1.923
  135    HB2  ASN  19           2HB      ASN  19  -2.278   1.753  -1.877
  136    HB3  ASN  19           1HB      ASN  19  -3.728   0.765  -1.688
  137   HD21  ASN  19          1HD2      ASN  19  -1.454   2.867   0.035
  138   HD22  ASN  19          2HD2      ASN  19  -2.388   3.015   1.443
  139    H    CYS  20           H        CYS  20  -0.360   0.996  -2.742
  140    HA   CYS  20           HA       CYS  20   2.091   0.594  -1.160
  141    HB2  CYS  20           2HB      CYS  20   1.417   1.384  -3.935
  142    HB3  CYS  20           1HB      CYS  20   2.913   1.982  -3.298
  143    H    VAL  21           H        VAL  21   3.117   2.184  -0.063
  144    HA   VAL  21           HA       VAL  21   2.091   4.988  -0.312
  145    HB   VAL  21           HB       VAL  21   3.017   3.506   2.172
  146   HG11  VAL  21          1HG1      VAL  21   2.006   5.912   3.024
  147   HG12  VAL  21          2HG1      VAL  21   2.791   6.387   1.520
  148   HG13  VAL  21          3HG1      VAL  21   3.723   5.591   2.786
  149   HG21  VAL  21          3HG2      VAL  21   0.351   4.500   1.157
  150   HG22  VAL  21          1HG2      VAL  21   0.632   4.257   2.880
  151   HG23  VAL  21          2HG2      VAL  21   0.767   2.899   1.766
  152    H    TYR  22           H        TYR  22   3.730   5.826  -1.623
  153    HA   TYR  22           HA       TYR  22   6.491   4.941  -1.307
  154    HB2  TYR  22           2HB      TYR  22   5.377   6.157  -3.313
  155    HB3  TYR  22           1HB      TYR  22   5.712   7.635  -2.410
  156    HD1  TYR  22           1HD      TYR  22   7.245   4.658  -3.999
  157    HD2  TYR  22           2HD      TYR  22   7.952   8.480  -2.169
  158    HE1  TYR  22           1HE      TYR  22   9.599   4.586  -4.766
  159    HE2  TYR  22           2HE      TYR  22  10.311   8.406  -2.937
  160    HH   TYR  22           HH       TYR  22  11.985   6.441  -3.562
  161    H    ALA  23           H        ALA  23   7.941   5.510   0.245
  162    HA   ALA  23           HA       ALA  23   7.175   7.635   2.152
  163    HB1  ALA  23           1HB      ALA  23   8.314   5.259   2.629
  164    HB2  ALA  23           2HB      ALA  23   8.660   6.664   3.634
  165    HB3  ALA  23           3HB      ALA  23   9.786   6.192   2.367
  166    H    TRP  24           H        TRP  24   7.571   9.622   1.203
  167    HA   TRP  24           HA       TRP  24   9.588  10.264  -0.627
  168    HB2  TRP  24           2HB      TRP  24   9.434  12.588   0.830
  169    HB3  TRP  24           1HB      TRP  24   8.280  12.119  -0.418
  170    HD1  TRP  24           HD       TRP  24   8.717  11.030   3.266
  171    HE1  TRP  24           1HE      TRP  24   6.423  11.191   4.425
  172    HE3  TRP  24           3HE      TRP  24   5.902  12.788  -0.609
  173    HZ2  TRP  24           2HZ      TRP  24   3.744  11.961   3.790
  174    HZ3  TRP  24           3HZ      TRP  24   3.481  13.223  -0.307
  175    HH2  TRP  24           HH       TRP  24   2.399  12.812   1.886
  176    H    TYR  25           H        TYR  25   9.798   9.716   2.857
  177    HA   TYR  25           HA       TYR  25  12.687  10.602   2.762
  178    HB2  TYR  25           2HB      TYR  25  12.464   9.975   5.315
  179    HB3  TYR  25           1HB      TYR  25  11.822  11.497   4.720
  180    HD1  TYR  25           1HD      TYR  25  10.625   7.919   4.925
  181    HD2  TYR  25           2HD      TYR  25   9.751  12.076   5.574
  182    HE1  TYR  25           1HE      TYR  25   8.400   7.307   5.825
  183    HE2  TYR  25           2HE      TYR  25   7.521  11.465   6.469
  184    HH   TYR  25           HH       TYR  25   6.298   8.187   6.298
  185    H    ASN  26           H        ASN  26  14.377   9.115   3.340
  186    HA   ASN  26           HA       ASN  26  15.403   7.018   3.129
  187    HB2  ASN  26           2HB      ASN  26  14.815   5.537   4.786
  188    HB3  ASN  26           1HB      ASN  26  13.899   6.937   5.341
  189   HD21  ASN  26          1HD2      ASN  26  11.687   6.684   5.523
  190   HD22  ASN  26          2HD2      ASN  26  10.817   5.389   4.875
  191    H    GLN  27           H        GLN  27  13.036   7.913   1.270
  192    HA   GLN  27           HA       GLN  27  11.822   6.995  -0.534
  193    HB2  GLN  27           2HB      GLN  27  14.339   5.299  -0.638
  194    HB3  GLN  27           1HB      GLN  27  13.225   5.582  -1.978
  195    HG2  GLN  27           2HG      GLN  27  14.735   7.770  -0.519
  196    HG3  GLN  27           1HG      GLN  27  15.239   7.069  -2.057
  197   HE21  GLN  27          1HE2      GLN  27  13.836   9.788  -0.976
  198   HE22  GLN  27          2HE2      GLN  27  12.732  10.100  -2.228
  199    H    GLN  28           H        GLN  28  12.208   4.162  -1.421
  200    HA   GLN  28           HA       GLN  28  11.195   2.083  -1.033
  201    HB2  GLN  28           2HB      GLN  28  11.805   2.863   1.834
  202    HB3  GLN  28           1HB      GLN  28  11.242   1.271   1.339
  203    HG2  GLN  28           2HG      GLN  28  13.207   0.982  -0.087
  204    HG3  GLN  28           1HG      GLN  28  13.757   2.612   0.308
  205   HE21  GLN  28          1HE2      GLN  28  15.045  -0.076   0.917
  206   HE22  GLN  28          2HE2      GLN  28  15.277  -0.071   2.598
  207    H    SER  29           H        SER  29   9.091   1.461  -1.009
  208    HA   SER  29           HA       SER  29   7.091   3.361   0.092
  209    HB2  SER  29           2HB      SER  29   6.924   1.060  -1.860
  210    HB3  SER  29           1HB      SER  29   5.493   1.864  -1.224
  211    HG   SER  29           HG       SER  29   5.976   2.973  -3.035
  212    H    SER  30           H        SER  30   5.077   2.219   1.059
  213    HA   SER  30           HA       SER  30   5.747  -0.239   2.506
  214    HB2  SER  30           2HB      SER  30   6.335   1.596   4.035
  215    HB3  SER  30           1HB      SER  30   4.728   2.286   3.821
  216    HG   SER  30           HG       SER  30   4.600  -0.333   4.478
  217    H    CYS  31           H        CYS  31   4.019  -1.645   2.481
  218    HA   CYS  31           HA       CYS  31   1.577  -0.821   1.165
  219    HB2  CYS  31           2HB      CYS  31   2.261  -3.358   2.668
  220    HB3  CYS  31           1HB      CYS  31   0.790  -3.118   1.741
  221    H    GLU  32           H        GLU  32  -0.284  -0.051   2.090
  222    HA   GLU  32           HA       GLU  32  -0.799  -0.592   4.938
  223    HB2  GLU  32           2HB      GLU  32  -0.365   1.473   5.757
  224    HB3  GLU  32           1HB      GLU  32   0.545   1.743   4.274
  225    HG2  GLU  32           2HG      GLU  32  -1.439   2.679   3.197
  226    HG3  GLU  32           1HG      GLU  32  -2.402   2.346   4.639
  227    H    ARG  33           H        ARG  33  -2.910  -0.954   5.218
  228    HA   ARG  33           HA       ARG  33  -4.798  -0.780   3.063
  229    HB2  ARG  33           2HB      ARG  33  -5.365  -2.412   4.617
  230    HB3  ARG  33           1HB      ARG  33  -4.914  -1.412   5.993
  231    HG2  ARG  33           2HG      ARG  33  -7.261  -0.656   4.253
  232    HG3  ARG  33           1HG      ARG  33  -7.447  -1.844   5.540
  233    HD2  ARG  33           2HD      ARG  33  -6.006   0.419   6.585
  234    HD3  ARG  33           1HD      ARG  33  -7.457   0.994   5.779
  235    HE   ARG  33           HE       ARG  33  -8.746  -0.602   7.240
  236   HH11  ARG  33          1HH2      ARG  33  -5.506   0.292   8.082
  237   HH12  ARG  33          2HH2      ARG  33  -5.739   0.014   9.773
  238   HH21  ARG  33          2HH1      ARG  33  -9.053  -0.943   9.444
  239   HH22  ARG  33          1HH1      ARG  33  -7.740  -0.681  10.544
  240    H    LYS  34           H        LYS  34  -6.500   0.726   2.737
  241    HA   LYS  34           HA       LYS  34  -6.399   3.191   4.344
  242    HB2  LYS  34           2HB      LYS  34  -6.584   2.900   1.367
  243    HB3  LYS  34           1HB      LYS  34  -7.097   4.372   2.186
  244    HG2  LYS  34           2HG      LYS  34  -4.848   4.627   3.153
  245    HG3  LYS  34           1HG      LYS  34  -4.337   3.137   2.355
  246    HD2  LYS  34           2HD      LYS  34  -4.881   4.131   0.153
  247    HD3  LYS  34           1HD      LYS  34  -5.348   5.627   0.962
  248    HE2  LYS  34           2HE      LYS  34  -3.202   6.278   1.278
  249    HE3  LYS  34           1HE      LYS  34  -2.661   4.653   1.704
  250    HZ1  LYS  34           3HZ      LYS  34  -3.235   5.648  -1.039
  251    HZ2  LYS  34           1HZ      LYS  34  -2.759   4.068  -0.649
  252    HZ3  LYS  34           2HZ      LYS  34  -1.695   5.364  -0.381
  253    H    TRP  35           H        TRP  35  -8.506   2.967   1.679
  254    HA   TRP  35           HA       TRP  35 -10.832   2.547   3.516
  255    HB2  TRP  35           2HB      TRP  35 -10.966   4.064   0.928
  256    HB3  TRP  35           1HB      TRP  35 -12.071   4.128   2.292
  257    HD1  TRP  35           HD       TRP  35  -9.993   4.435   4.615
  258    HE1  TRP  35           1HE      TRP  35  -8.723   6.651   4.939
  259    HE3  TRP  35           3HE      TRP  35 -10.441   6.424  -0.071
  260    HZ2  TRP  35           2HZ      TRP  35  -7.990   8.956   3.424
  261    HZ3  TRP  35           3HZ      TRP  35  -9.451   8.634  -0.599
  262    HH2  TRP  35           HH       TRP  35  -8.224   9.901   1.141
  263    H    LYS  36           H        LYS  36 -12.693   1.543   2.535
  264    HA   LYS  36           HA       LYS  36 -12.014  -0.791   1.020
  265    HB2  LYS  36           2HB      LYS  36 -14.086  -0.195   2.633
  266    HB3  LYS  36           1HB      LYS  36 -14.864   0.082   1.074
  267    HG2  LYS  36           2HG      LYS  36 -14.237  -2.168   0.330
  268    HG3  LYS  36           1HG      LYS  36 -13.366  -2.441   1.841
  269    HD2  LYS  36           2HD      LYS  36 -15.679  -1.831   2.951
  270    HD3  LYS  36           1HD      LYS  36 -16.328  -2.271   1.372
  271    HE2  LYS  36           2HE      LYS  36 -16.334  -4.390   2.198
  272    HE3  LYS  36           1HE      LYS  36 -14.600  -4.364   1.874
  273    HZ1  LYS  36           3HZ      LYS  36 -15.640  -4.834   4.273
  274    HZ2  LYS  36           1HZ      LYS  36 -15.451  -3.151   4.373
  275    HZ3  LYS  36           2HZ      LYS  36 -14.108  -4.138   4.043
  276    H    TYR  37           H        TYR  37 -12.534   2.405   0.028
  277    HA   TYR  37           HA       TYR  37 -13.928   1.842  -2.475
  278    HB2  TYR  37           2HB      TYR  37 -11.943   4.082  -2.241
  279    HB3  TYR  37           1HB      TYR  37 -13.526   4.078  -3.016
  280    HD1  TYR  37           2HD      TYR  37 -15.073   2.752  -0.710
  281    HD2  TYR  37           1HD      TYR  37 -12.227   5.961  -0.824
  282    HE1  TYR  37           2HE      TYR  37 -16.037   3.680   1.377
  283    HE2  TYR  37           1HE      TYR  37 -13.179   6.889   1.270
  284    HH   TYR  37           HH       TYR  37 -14.501   6.337   3.081
  285    H    LEU  38           H        LEU  38 -10.878   0.976  -1.407
  286    HA   LEU  38           HA       LEU  38  -9.340   1.274  -3.754
  287    HB2  LEU  38           2HB      LEU  38  -8.310   0.746  -1.581
  288    HB3  LEU  38           1HB      LEU  38  -9.105  -0.825  -1.581
  289    HG   LEU  38           HG       LEU  38  -7.812  -1.575  -3.469
  290   HD11  LEU  38          1HD1      LEU  38  -6.846   1.301  -3.616
  291   HD12  LEU  38          2HD1      LEU  38  -7.770   0.427  -4.838
  292   HD13  LEU  38          3HD1      LEU  38  -6.105  -0.029  -4.505
  293   HD21  LEU  38          3HD2      LEU  38  -6.640  -1.694  -1.327
  294   HD22  LEU  38          1HD2      LEU  38  -6.103  -0.024  -1.494
  295   HD23  LEU  38          2HD2      LEU  38  -5.479  -1.263  -2.584
  296    H    PHE  39           H        PHE  39 -11.627  -1.160  -2.696
  297    HA   PHE  39           HA       PHE  39 -11.217  -3.231  -4.553
  298    HB2  PHE  39           2HB      PHE  39 -13.241  -2.441  -2.720
  299    HB3  PHE  39           1HB      PHE  39 -14.057  -2.660  -4.265
  300    HD1  PHE  39           1HD      PHE  39 -11.185  -4.399  -2.563
  301    HD2  PHE  39           2HD      PHE  39 -15.059  -4.769  -4.388
  302    HE1  PHE  39           1HE      PHE  39 -11.094  -6.857  -2.260
  303    HE2  PHE  39           2HE      PHE  39 -14.965  -7.228  -4.082
  304    HZ   PHE  39           HZ       PHE  39 -12.984  -8.272  -3.017
  305    H    THR  40           H        THR  40 -13.500  -3.353  -6.223
  306    HA   THR  40           HA       THR  40 -14.513  -2.366  -8.138
  307    HB   THR  40           HB       THR  40 -12.599  -0.041  -7.993
  308    HG1  THR  40           1HG      THR  40 -14.199  -0.757  -6.045
  309   HG21  THR  40          3HG2      THR  40 -14.378  -0.606  -9.866
  310   HG22  THR  40          1HG2      THR  40 -14.162   1.053  -9.308
  311   HG23  THR  40          2HG2      THR  40 -15.505   0.085  -8.700
  312    H    GLY  41           H        GLY  41 -12.021  -4.040  -7.875
  313    HA2  GLY  41           2HA      GLY  41 -11.014  -5.126  -9.822
  314    HA3  GLY  41           1HA      GLY  41 -11.027  -3.572 -10.654
  315    H    GLU  42           H        GLU  42 -10.078  -2.886  -7.566
  316    HA   GLU  42           HA       GLU  42  -7.188  -3.367  -8.193
  317    HB2  GLU  42           2HB      GLU  42  -8.250  -0.910  -8.357
  318    HB3  GLU  42           1HB      GLU  42  -7.968  -0.950  -6.620
  319    HG2  GLU  42           2HG      GLU  42  -5.931  -1.288  -8.834
  320    HG3  GLU  42           1HG      GLU  42  -5.978  -0.040  -7.589
  321    H    CYS  43           H        CYS  43  -6.296  -4.621  -6.634
  322    HA   CYS  43           HA       CYS  43  -7.656  -5.019  -4.083
  323    HB2  CYS  43           2HB      CYS  43  -5.593  -6.345  -5.600
  324    HB3  CYS  43           1HB      CYS  43  -5.007  -6.061  -3.969
  325    HXT  CYS  43           2HT      CYS  43  -5.298  -2.456  -4.786
  Start of MODEL    5
    1    H1   CYS   1           1H       CYS   1   5.492 -10.235  -0.519
    2    H2   CYS   1           2H       CYS   1   4.070 -10.887   0.099
    3    H3   CYS   1           3H       CYS   1   4.396 -10.989  -1.547
    4    HA   CYS   1           HA       CYS   1   4.244  -8.588  -1.762
    5    HB2  CYS   1           2HB      CYS   1   1.812  -8.408  -1.345
    6    HB3  CYS   1           1HB      CYS   1   2.208  -9.954  -2.092
    7    H    GLY   2           H        GLY   2   4.145  -6.544  -0.703
    8    HA2  GLY   2           2HA      GLY   2   5.014  -6.473   2.029
    9    HA3  GLY   2           1HA      GLY   2   4.379  -5.093   1.133
   10    H    SER   3           H        SER   3   3.787  -6.950   3.779
   11    HA   SER   3           HA       SER   3   0.827  -6.867   3.529
   12    HB2  SER   3           2HB      SER   3   1.590  -8.935   4.437
   13    HB3  SER   3           1HB      SER   3   2.732  -8.129   5.508
   14    HG   SER   3           HG       SER   3   1.071  -7.447   6.767
   15    H    LYS   4           H        LYS   4   0.187  -6.451   6.242
   16    HA   LYS   4           HA       LYS   4  -0.018  -3.688   6.470
   17    HB2  LYS   4           2HB      LYS   4  -0.939  -5.595   8.021
   18    HB3  LYS   4           1HB      LYS   4   0.549  -5.341   8.933
   19    HG2  LYS   4           2HG      LYS   4  -0.234  -2.769   8.680
   20    HG3  LYS   4           1HG      LYS   4  -1.812  -3.546   8.609
   21    HD2  LYS   4           2HD      LYS   4  -1.431  -4.651  10.737
   22    HD3  LYS   4           1HD      LYS   4   0.227  -4.056  10.791
   23    HE2  LYS   4           2HE      LYS   4  -1.181  -2.649  12.207
   24    HE3  LYS   4           1HE      LYS   4  -0.640  -1.721  10.808
   25    HZ1  LYS   4           3HZ      LYS   4  -2.910  -1.295  10.958
   26    HZ2  LYS   4           1HZ      LYS   4  -3.299  -2.907  11.312
   27    HZ3  LYS   4           2HZ      LYS   4  -2.804  -2.478   9.744
   28    H    ARG   5           H        ARG   5   1.534  -2.129   6.560
   29    HA   ARG   5           HA       ARG   5   3.615  -1.109   6.922
   30    HB2  ARG   5           2HB      ARG   5   3.898  -3.137   9.165
   31    HB3  ARG   5           1HB      ARG   5   4.690  -1.567   9.042
   32    HG2  ARG   5           2HG      ARG   5   1.682  -1.834   9.132
   33    HG3  ARG   5           1HG      ARG   5   2.649  -1.711  10.596
   34    HD2  ARG   5           2HD      ARG   5   3.583   0.432   9.795
   35    HD3  ARG   5           1HD      ARG   5   2.598   0.311   8.339
   36    HE   ARG   5           HE       ARG   5   1.353   0.441  11.060
   37   HH11  ARG   5          1HH2      ARG   5   1.657   1.471   7.768
   38   HH12  ARG   5          2HH2      ARG   5   0.235   2.454   7.817
   39   HH21  ARG   5          2HH1      ARG   5  -0.499   1.717  11.118
   40   HH22  ARG   5          1HH1      ARG   5  -0.982   2.595   9.704
   41    H    ALA   6           H        ALA   6   4.464  -1.980   4.918
   42    HA   ALA   6           HA       ALA   6   6.842  -3.579   5.237
   43    HB1  ALA   6           1HB      ALA   6   4.570  -4.994   3.824
   44    HB2  ALA   6           2HB      ALA   6   5.061  -5.349   5.478
   45    HB3  ALA   6           3HB      ALA   6   6.181  -5.630   4.148
   46    H    TRP   7           H        TRP   7   8.049  -3.764   3.301
   47    HA   TRP   7           HA       TRP   7   7.909  -1.648   1.481
   48    HB2  TRP   7           2HB      TRP   7   9.963  -2.835   1.709
   49    HB3  TRP   7           1HB      TRP   7   9.211  -4.358   1.235
   50    HD1  TRP   7           HD       TRP   7   9.129  -0.864  -0.435
   51    HE1  TRP   7           1HE      TRP   7   9.798  -1.147  -2.909
   52    HE3  TRP   7           3HE      TRP   7  10.107  -5.874  -0.515
   53    HZ2  TRP   7           2HZ      TRP   7  10.634  -3.224  -4.686
   54    HZ3  TRP   7           3HZ      TRP   7  10.836  -6.978  -2.609
   55    HH2  TRP   7           HH       TRP   7  11.101  -5.661  -4.695
   56    H    CYS   8           H        CYS   8   7.402  -1.527  -0.748
   57    HA   CYS   8           HA       CYS   8   5.466  -3.569  -1.795
   58    HB2  CYS   8           2HB      CYS   8   3.939  -1.885  -1.366
   59    HB3  CYS   8           1HB      CYS   8   5.149  -0.620  -1.388
   60    H    LYS   9           H        LYS   9   5.912  -4.093  -3.983
   61    HA   LYS   9           HA       LYS   9   8.240  -2.731  -5.213
   62    HB2  LYS   9           2HB      LYS   9   7.602  -5.337  -5.273
   63    HB3  LYS   9           1HB      LYS   9   6.663  -4.828  -6.677
   64    HG2  LYS   9           2HG      LYS   9   9.146  -3.553  -7.015
   65    HG3  LYS   9           1HG      LYS   9   9.560  -5.154  -6.409
   66    HD2  LYS   9           2HD      LYS   9   7.702  -4.649  -8.749
   67    HD3  LYS   9           1HD      LYS   9   9.410  -5.034  -8.908
   68    HE2  LYS   9           2HE      LYS   9   9.122  -7.223  -8.134
   69    HE3  LYS   9           1HE      LYS   9   7.611  -6.840  -7.308
   70    HZ1  LYS   9           3HZ      LYS   9   7.840  -7.946  -9.786
   71    HZ2  LYS   9           1HZ      LYS   9   7.499  -6.317 -10.120
   72    HZ3  LYS   9           2HZ      LYS   9   6.442  -7.222  -9.146
   73    H    GLU  10           H        GLU  10   4.834  -3.406  -5.902
   74    HA   GLU  10           HA       GLU  10   4.636  -0.883  -7.449
   75    HB2  GLU  10           2HB      GLU  10   3.680  -3.592  -8.427
   76    HB3  GLU  10           1HB      GLU  10   3.260  -2.055  -9.175
   77    HG2  GLU  10           2HG      GLU  10   5.626  -1.592  -9.618
   78    HG3  GLU  10           1HG      GLU  10   6.080  -3.101  -8.828
   79    H    LYS  11           H        LYS  11   2.106  -0.670  -7.969
   80    HA   LYS  11           HA       LYS  11   0.811  -0.429  -5.463
   81    HB2  LYS  11           2HB      LYS  11   0.196   0.785  -7.580
   82    HB3  LYS  11           1HB      LYS  11  -0.554  -0.705  -8.152
   83    HG2  LYS  11           2HG      LYS  11  -2.120  -0.697  -6.301
   84    HG3  LYS  11           1HG      LYS  11  -1.298   0.676  -5.559
   85    HD2  LYS  11           2HD      LYS  11  -1.835   2.050  -7.561
   86    HD3  LYS  11           1HD      LYS  11  -2.722   0.684  -8.236
   87    HE2  LYS  11           2HE      LYS  11  -4.548   1.183  -6.998
   88    HE3  LYS  11           1HE      LYS  11  -3.592   1.219  -5.514
   89    HZ1  LYS  11           3HZ      LYS  11  -2.978   3.463  -5.928
   90    HZ2  LYS  11           1HZ      LYS  11  -4.663   3.367  -6.101
   91    HZ3  LYS  11           2HZ      LYS  11  -3.672   3.443  -7.480
   92    H    LYS  12           H        LYS  12   0.463  -2.952  -7.968
   93    HA   LYS  12           HA       LYS  12  -1.444  -4.509  -6.441
   94    HB2  LYS  12           2HB      LYS  12  -0.970  -4.603  -8.980
   95    HB3  LYS  12           1HB      LYS  12   0.400  -5.628  -8.554
   96    HG2  LYS  12           2HG      LYS  12  -1.605  -6.788  -7.078
   97    HG3  LYS  12           1HG      LYS  12  -2.506  -6.229  -8.482
   98    HD2  LYS  12           2HD      LYS  12   0.077  -7.752  -8.826
   99    HD3  LYS  12           1HD      LYS  12  -1.442  -8.603  -8.561
  100    HE2  LYS  12           2HE      LYS  12  -0.698  -8.127 -11.011
  101    HE3  LYS  12           1HE      LYS  12  -2.379  -7.832 -10.569
  102    HZ1  LYS  12           3HZ      LYS  12  -1.868  -5.508 -10.250
  103    HZ2  LYS  12           1HZ      LYS  12  -1.418  -5.985 -11.813
  104    HZ3  LYS  12           2HZ      LYS  12  -0.231  -5.781 -10.615
  105    H    ASP  13           H        ASP  13   2.075  -4.498  -6.711
  106    HA   ASP  13           HA       ASP  13   2.718  -6.978  -5.610
  107    HB2  ASP  13           2HB      ASP  13   4.237  -4.999  -6.453
  108    HB3  ASP  13           1HB      ASP  13   4.291  -4.586  -4.737
  109    H    CYS  14           H        CYS  14   0.912  -4.611  -3.958
  110    HA   CYS  14           HA       CYS  14   1.997  -5.293  -1.324
  111    HB2  CYS  14           2HB      CYS  14  -0.198  -3.521  -2.355
  112    HB3  CYS  14           1HB      CYS  14  -0.140  -3.958  -0.663
  113    H    CYS  15           H        CYS  15   0.889  -6.584   0.192
  114    HA   CYS  15           HA       CYS  15  -0.510  -8.811  -0.725
  115    HB2  CYS  15           2HB      CYS  15  -0.691  -7.429   1.960
  116    HB3  CYS  15           1HB      CYS  15  -1.118  -9.089   1.630
  117    H    CYS  16           H        CYS  16  -2.663  -9.163  -1.173
  118    HA   CYS  16           HA       CYS  16  -4.376  -7.160  -1.984
  119    HB2  CYS  16           2HB      CYS  16  -4.589  -9.976  -1.246
  120    HB3  CYS  16           1HB      CYS  16  -6.069  -9.098  -0.931
  121    H    GLY  17           H        GLY  17  -5.344  -5.523  -0.910
  122    HA2  GLY  17           2HA      GLY  17  -6.954  -4.892   0.873
  123    HA3  GLY  17           1HA      GLY  17  -6.045  -5.924   1.973
  124    H    TYR  18           H        TYR  18  -3.629  -4.617   0.223
  125    HA   TYR  18           HA       TYR  18  -3.536  -2.114   1.955
  126    HB2  TYR  18           2HB      TYR  18  -1.262  -4.007   1.314
  127    HB3  TYR  18           1HB      TYR  18  -1.109  -2.477   2.177
  128    HD1  TYR  18           2HD      TYR  18  -2.153  -2.167   4.401
  129    HD2  TYR  18           1HD      TYR  18  -2.181  -5.974   2.398
  130    HE1  TYR  18           2HE      TYR  18  -2.744  -3.286   6.531
  131    HE2  TYR  18           1HE      TYR  18  -2.765  -7.088   4.536
  132    HH   TYR  18           HH       TYR  18  -3.533  -5.229   7.431
  133    H    ASN  19           H        ASN  19  -2.662  -0.246   0.955
  134    HA   ASN  19           HA       ASN  19  -2.310  -0.476  -2.007
  135    HB2  ASN  19           2HB      ASN  19  -3.995   1.148  -1.195
  136    HB3  ASN  19           1HB      ASN  19  -2.746   1.969  -0.259
  137   HD21  ASN  19          1HD2      ASN  19  -0.956   3.011  -1.519
  138   HD22  ASN  19          2HD2      ASN  19  -1.236   3.494  -3.122
  139    H    CYS  20           H        CYS  20  -0.489   0.915  -2.953
  140    HA   CYS  20           HA       CYS  20   1.916   0.581  -1.294
  141    HB2  CYS  20           2HB      CYS  20   1.346   1.161  -4.188
  142    HB3  CYS  20           1HB      CYS  20   2.940   1.384  -3.535
  143    H    VAL  21           H        VAL  21   2.919   2.258  -0.289
  144    HA   VAL  21           HA       VAL  21   2.262   5.046  -1.139
  145    HB   VAL  21           HB       VAL  21   1.148   3.966   1.091
  146   HG11  VAL  21          1HG1      VAL  21   3.530   3.648   2.002
  147   HG12  VAL  21          2HG1      VAL  21   2.380   4.461   3.059
  148   HG13  VAL  21          3HG1      VAL  21   3.577   5.402   2.172
  149   HG21  VAL  21          3HG2      VAL  21   0.943   6.310   1.925
  150   HG22  VAL  21          1HG2      VAL  21   0.613   6.171   0.199
  151   HG23  VAL  21          2HG2      VAL  21   2.163   6.805   0.752
  152    H    TYR  22           H        TYR  22   3.919   6.643  -0.460
  153    HA   TYR  22           HA       TYR  22   6.624   5.278  -0.366
  154    HB2  TYR  22           2HB      TYR  22   6.047   6.895  -2.223
  155    HB3  TYR  22           1HB      TYR  22   5.982   8.167  -1.003
  156    HD1  TYR  22           1HD      TYR  22   8.196   5.539  -2.452
  157    HD2  TYR  22           2HD      TYR  22   7.958   9.198  -0.218
  158    HE1  TYR  22           1HE      TYR  22  10.662   5.774  -2.573
  159    HE2  TYR  22           2HE      TYR  22  10.422   9.433  -0.338
  160    HH   TYR  22           HH       TYR  22  12.425   7.634  -0.651
  161    H    ALA  23           H        ALA  23   7.807   5.403   1.488
  162    HA   ALA  23           HA       ALA  23   6.820   7.148   3.679
  163    HB1  ALA  23           1HB      ALA  23   8.723   5.861   4.928
  164    HB2  ALA  23           2HB      ALA  23   8.698   4.799   3.520
  165    HB3  ALA  23           3HB      ALA  23   7.249   4.993   4.506
  166    H    TRP  24           H        TRP  24   7.664   9.180   3.693
  167    HA   TRP  24           HA       TRP  24   9.916  10.062   2.263
  168    HB2  TRP  24           2HB      TRP  24   9.828  12.075   3.590
  169    HB3  TRP  24           1HB      TRP  24   8.176  11.532   3.307
  170    HD1  TRP  24           HD       TRP  24   7.087  10.022   5.377
  171    HE1  TRP  24           1HE      TRP  24   7.341  10.389   7.917
  172    HE3  TRP  24           3HE      TRP  24  11.289  12.924   5.434
  173    HZ2  TRP  24           2HZ      TRP  24   9.093  11.737   9.731
  174    HZ3  TRP  24           3HZ      TRP  24  12.226  13.738   7.578
  175    HH2  TRP  24           HH       TRP  24  11.134  13.149   9.724
  176    H    TYR  25           H        TYR  25  10.015   7.787   4.665
  177    HA   TYR  25           HA       TYR  25  12.841   8.650   5.402
  178    HB2  TYR  25           2HB      TYR  25  12.482   7.371   7.539
  179    HB3  TYR  25           1HB      TYR  25  11.479   8.813   7.395
  180    HD1  TYR  25           1HD      TYR  25  11.498   5.116   7.259
  181    HD2  TYR  25           2HD      TYR  25   9.087   8.661   7.098
  182    HE1  TYR  25           1HE      TYR  25   9.457   3.738   7.535
  183    HE2  TYR  25           2HE      TYR  25   7.042   7.286   7.373
  184    HH   TYR  25           HH       TYR  25   6.901   4.087   6.858
  185    H    ASN  26           H        ASN  26  14.398   6.972   5.435
  186    HA   ASN  26           HA       ASN  26  15.385   5.039   4.575
  187    HB2  ASN  26           2HB      ASN  26  14.639   3.215   5.686
  188    HB3  ASN  26           1HB      ASN  26  13.402   4.273   6.351
  189   HD21  ASN  26          1HD2      ASN  26  11.261   4.261   5.277
  190   HD22  ASN  26          2HD2      ASN  26  10.798   2.937   4.328
  191    H    GLN  27           H        GLN  27  13.443   6.770   2.962
  192    HA   GLN  27           HA       GLN  27  12.198   6.612   0.914
  193    HB2  GLN  27           2HB      GLN  27  14.942   5.549   0.202
  194    HB3  GLN  27           1HB      GLN  27  13.843   6.435  -0.856
  195    HG2  GLN  27           2HG      GLN  27  15.106   7.511   1.683
  196    HG3  GLN  27           1HG      GLN  27  15.573   7.940   0.039
  197   HE21  GLN  27          1HE2      GLN  27  13.313   8.610   2.596
  198   HE22  GLN  27          2HE2      GLN  27  12.373   9.743   1.749
  199    H    GLN  28           H        GLN  28  10.978   4.588   1.889
  200    HA   GLN  28           HA       GLN  28  11.370   2.348  -0.055
  201    HB2  GLN  28           2HB      GLN  28  12.233   1.586   2.091
  202    HB3  GLN  28           1HB      GLN  28  10.761   2.113   2.906
  203    HG2  GLN  28           2HG      GLN  28   9.447   0.489   1.597
  204    HG3  GLN  28           1HG      GLN  28  10.913  -0.025   0.760
  205   HE21  GLN  28          1HE2      GLN  28   8.906  -1.014   3.169
  206   HE22  GLN  28          2HE2      GLN  28  10.012  -1.827   4.167
  207    H    SER  29           H        SER  29   9.379   1.199  -0.562
  208    HA   SER  29           HA       SER  29   6.998   2.946  -0.348
  209    HB2  SER  29           2HB      SER  29   7.275   0.283  -1.771
  210    HB3  SER  29           1HB      SER  29   6.010   1.482  -2.004
  211    HG   SER  29           HG       SER  29   8.514   1.340  -3.064
  212    H    SER  30           H        SER  30   5.646   2.594   1.394
  213    HA   SER  30           HA       SER  30   5.729  -0.033   2.700
  214    HB2  SER  30           2HB      SER  30   6.227   1.755   4.209
  215    HB3  SER  30           1HB      SER  30   4.831   2.676   3.660
  216    HG   SER  30           HG       SER  30   4.976   0.846   5.589
  217    H    CYS  31           H        CYS  31   4.031  -1.412   2.439
  218    HA   CYS  31           HA       CYS  31   1.689  -0.640   0.953
  219    HB2  CYS  31           2HB      CYS  31   2.234  -3.076   2.673
  220    HB3  CYS  31           1HB      CYS  31   0.803  -2.880   1.671
  221    H    GLU  32           H        GLU  32   0.045   0.557   1.736
  222    HA   GLU  32           HA       GLU  32  -0.924   0.105   4.489
  223    HB2  GLU  32           2HB      GLU  32  -0.381   2.158   5.296
  224    HB3  GLU  32           1HB      GLU  32   0.766   2.229   3.962
  225    HG2  GLU  32           2HG      GLU  32  -0.931   3.324   2.552
  226    HG3  GLU  32           1HG      GLU  32  -2.089   3.236   3.884
  227    H    ARG  33           H        ARG  33  -3.091  -0.229   4.296
  228    HA   ARG  33           HA       ARG  33  -4.432   0.373   1.823
  229    HB2  ARG  33           2HB      ARG  33  -4.983  -1.494   3.558
  230    HB3  ARG  33           1HB      ARG  33  -5.900  -0.239   4.379
  231    HG2  ARG  33           2HG      ARG  33  -7.201  -1.700   2.704
  232    HG3  ARG  33           1HG      ARG  33  -7.386   0.045   2.544
  233    HD2  ARG  33           2HD      ARG  33  -6.176   0.129   0.570
  234    HD3  ARG  33           1HD      ARG  33  -5.204  -1.284   0.975
  235    HE   ARG  33           HE       ARG  33  -7.610  -2.442   0.615
  236   HH11  ARG  33          1HH2      ARG  33  -5.994   0.069  -1.123
  237   HH12  ARG  33          2HH2      ARG  33  -6.626  -0.410  -2.661
  238   HH21  ARG  33          2HH1      ARG  33  -8.418  -3.088  -1.397
  239   HH22  ARG  33          1HH1      ARG  33  -7.989  -2.193  -2.814
  240    H    LYS  34           H        LYS  34  -6.526   1.653   1.796
  241    HA   LYS  34           HA       LYS  34  -6.330   4.055   3.484
  242    HB2  LYS  34           2HB      LYS  34  -7.490   4.893   1.076
  243    HB3  LYS  34           1HB      LYS  34  -5.858   5.255   1.625
  244    HG2  LYS  34           2HG      LYS  34  -4.940   3.386   0.464
  245    HG3  LYS  34           1HG      LYS  34  -6.533   2.691   0.173
  246    HD2  LYS  34           2HD      LYS  34  -6.618   5.297  -0.945
  247    HD3  LYS  34           1HD      LYS  34  -5.073   4.608  -1.439
  248    HE2  LYS  34           2HE      LYS  34  -6.923   4.082  -3.034
  249    HE3  LYS  34           1HE      LYS  34  -6.187   2.637  -2.339
  250    HZ1  LYS  34           3HZ      LYS  34  -8.649   2.613  -2.339
  251    HZ2  LYS  34           1HZ      LYS  34  -8.636   3.934  -1.275
  252    HZ3  LYS  34           2HZ      LYS  34  -7.972   2.446  -0.791
  253    H    TRP  35           H        TRP  35  -7.965   1.817   4.043
  254    HA   TRP  35           HA       TRP  35 -10.192   1.300   4.530
  255    HB2  TRP  35           2HB      TRP  35 -11.408   3.889   4.046
  256    HB3  TRP  35           1HB      TRP  35 -11.174   3.046   5.566
  257    HD1  TRP  35           HD       TRP  35  -8.372   3.107   6.323
  258    HE1  TRP  35           1HE      TRP  35  -6.906   5.219   6.458
  259    HE3  TRP  35           3HE      TRP  35 -11.043   6.222   3.289
  260    HZ2  TRP  35           2HZ      TRP  35  -6.865   7.880   5.409
  261    HZ3  TRP  35           3HZ      TRP  35 -10.265   8.537   2.869
  262    HH2  TRP  35           HH       TRP  35  -8.183   9.370   3.923
  263    H    LYS  36           H        LYS  36 -11.086   3.864   2.351
  264    HA   LYS  36           HA       LYS  36 -12.886   3.404   0.702
  265    HB2  LYS  36           2HB      LYS  36 -10.036   3.486  -0.108
  266    HB3  LYS  36           1HB      LYS  36 -11.157   2.927  -1.351
  267    HG2  LYS  36           2HG      LYS  36 -12.492   4.933  -1.139
  268    HG3  LYS  36           1HG      LYS  36 -11.554   5.468   0.253
  269    HD2  LYS  36           2HD      LYS  36  -9.542   5.649  -1.156
  270    HD3  LYS  36           1HD      LYS  36 -10.467   5.097  -2.554
  271    HE2  LYS  36           2HE      LYS  36 -11.697   7.073  -2.696
  272    HE3  LYS  36           1HE      LYS  36 -11.457   7.466  -0.993
  273    HZ1  LYS  36           3HZ      LYS  36  -9.348   8.246  -1.374
  274    HZ2  LYS  36           1HZ      LYS  36 -10.133   8.733  -2.795
  275    HZ3  LYS  36           2HZ      LYS  36  -9.143   7.352  -2.804
  276    H    TYR  37           H        TYR  37 -13.813   1.382   1.589
  277    HA   TYR  37           HA       TYR  37 -12.748  -1.214   1.015
  278    HB2  TYR  37           2HB      TYR  37 -15.686  -0.492   0.945
  279    HB3  TYR  37           1HB      TYR  37 -14.975  -2.044   1.380
  280    HD1  TYR  37           2HD      TYR  37 -12.600  -0.621   2.985
  281    HD2  TYR  37           1HD      TYR  37 -16.892  -0.330   3.073
  282    HE1  TYR  37           2HE      TYR  37 -12.503   0.105   5.346
  283    HE2  TYR  37           1HE      TYR  37 -16.785   0.397   5.441
  284    HH   TYR  37           HH       TYR  37 -15.473   0.917   7.145
  285    H    LEU  38           H        LEU  38 -11.793  -0.856  -1.102
  286    HA   LEU  38           HA       LEU  38 -13.191  -0.319  -3.475
  287    HB2  LEU  38           2HB      LEU  38 -11.006  -0.371  -4.085
  288    HB3  LEU  38           1HB      LEU  38 -10.585  -1.280  -2.646
  289    HG   LEU  38           HG       LEU  38 -11.644  -3.301  -4.084
  290   HD11  LEU  38          1HD1      LEU  38 -11.739  -2.980  -6.327
  291   HD12  LEU  38          2HD1      LEU  38 -10.223  -2.088  -6.350
  292   HD13  LEU  38          3HD1      LEU  38 -11.728  -1.254  -5.970
  293   HD21  LEU  38          3HD2      LEU  38  -9.437  -3.392  -3.171
  294   HD22  LEU  38          1HD2      LEU  38  -8.862  -2.138  -4.273
  295   HD23  LEU  38          2HD2      LEU  38  -9.293  -3.733  -4.894
  296    H    PHE  39           H        PHE  39 -13.121  -2.373  -5.223
  297    HA   PHE  39           HA       PHE  39 -14.060  -4.877  -4.138
  298    HB2  PHE  39           2HB      PHE  39 -16.033  -3.376  -3.799
  299    HB3  PHE  39           1HB      PHE  39 -16.094  -3.124  -5.541
  300    HD1  PHE  39           2HD      PHE  39 -15.801  -5.995  -3.127
  301    HD2  PHE  39           1HD      PHE  39 -17.538  -4.494  -6.760
  302    HE1  PHE  39           2HE      PHE  39 -17.057  -8.114  -3.403
  303    HE2  PHE  39           1HE      PHE  39 -18.792  -6.615  -7.035
  304    HZ   PHE  39           HZ       PHE  39 -18.552  -8.426  -5.357
  305    H    THR  40           H        THR  40 -12.657  -5.848  -5.522
  306    HA   THR  40           HA       THR  40 -13.471  -6.191  -8.309
  307    HB   THR  40           HB       THR  40 -11.005  -5.723  -9.038
  308    HG1  THR  40           1HG      THR  40 -11.077  -4.827  -6.468
  309   HG21  THR  40          3HG2      THR  40 -11.547  -3.466  -9.652
  310   HG22  THR  40          1HG2      THR  40 -12.689  -3.312  -8.323
  311   HG23  THR  40          2HG2      THR  40 -13.054  -4.377  -9.676
  312    H    GLY  41           H        GLY  41 -13.413  -8.408  -8.318
  313    HA2  GLY  41           2HA      GLY  41 -12.540 -10.584  -8.059
  314    HA3  GLY  41           1HA      GLY  41 -10.958  -9.843  -7.778
  315    H    GLU  42           H        GLU  42 -10.300 -10.777  -5.832
  316    HA   GLU  42           HA       GLU  42 -11.983 -10.138  -3.469
  317    HB2  GLU  42           2HB      GLU  42 -12.555 -12.471  -4.157
  318    HB3  GLU  42           1HB      GLU  42 -10.857 -12.907  -3.964
  319    HG2  GLU  42           2HG      GLU  42 -10.932 -12.256  -1.597
  320    HG3  GLU  42           1HG      GLU  42 -12.617 -11.764  -1.776
  321    H    CYS  43           H        CYS  43 -10.406  -8.676  -2.700
  322    HA   CYS  43           HA       CYS  43  -7.657  -9.718  -2.363
  323    HB2  CYS  43           2HB      CYS  43  -8.890  -7.061  -2.639
  324    HB3  CYS  43           1HB      CYS  43  -7.657  -7.139  -1.393
  325    HXT  CYS  43           2HT      CYS  43  -9.339  -7.559  -0.479
  Start of MODEL    6
    1    H1   CYS   1           1H       CYS   1   5.312 -10.076  -1.416
    2    H2   CYS   1           2H       CYS   1   4.014 -10.944  -0.791
    3    H3   CYS   1           3H       CYS   1   4.180 -10.758  -2.454
    4    HA   CYS   1           HA       CYS   1   3.827  -8.382  -2.261
    5    HB2  CYS   1           2HB      CYS   1   1.440  -8.583  -1.300
    6    HB3  CYS   1           1HB      CYS   1   1.803  -9.547  -2.711
    7    H    GLY   2           H        GLY   2   3.896  -6.561  -0.907
    8    HA2  GLY   2           2HA      GLY   2   4.638  -7.027   1.899
    9    HA3  GLY   2           1HA      GLY   2   4.531  -5.457   1.102
   10    H    SER   3           H        SER   3   3.276  -6.882   3.636
   11    HA   SER   3           HA       SER   3   0.429  -6.118   3.127
   12    HB2  SER   3           2HB      SER   3   1.757  -7.858   5.214
   13    HB3  SER   3           1HB      SER   3   0.099  -7.288   5.397
   14    HG   SER   3           HG       SER   3  -0.112  -8.180   3.140
   15    H    LYS   4           H        LYS   4  -0.265  -5.555   5.858
   16    HA   LYS   4           HA       LYS   4   0.255  -2.835   6.108
   17    HB2  LYS   4           2HB      LYS   4  -0.897  -4.780   7.793
   18    HB3  LYS   4           1HB      LYS   4   0.402  -4.084   8.752
   19    HG2  LYS   4           2HG      LYS   4  -0.535  -1.785   7.956
   20    HG3  LYS   4           1HG      LYS   4  -1.982  -2.690   7.536
   21    HD2  LYS   4           2HD      LYS   4  -2.513  -2.125   9.713
   22    HD3  LYS   4           1HD      LYS   4  -1.687  -3.655  10.040
   23    HE2  LYS   4           2HE      LYS   4  -0.977  -1.645  11.452
   24    HE3  LYS   4           1HE      LYS   4   0.311  -2.575  10.686
   25    HZ1  LYS   4           3HZ      LYS   4   0.306  -0.060  10.521
   26    HZ2  LYS   4           1HZ      LYS   4  -0.843  -0.250   9.295
   27    HZ3  LYS   4           2HZ      LYS   4   0.708  -0.927   9.150
   28    H    ARG   5           H        ARG   5   2.087  -1.639   6.573
   29    HA   ARG   5           HA       ARG   5   4.361  -1.237   7.038
   30    HB2  ARG   5           2HB      ARG   5   3.805  -3.479   9.016
   31    HB3  ARG   5           1HB      ARG   5   5.238  -2.455   9.036
   32    HG2  ARG   5           2HG      ARG   5   3.965  -0.505   9.530
   33    HG3  ARG   5           1HG      ARG   5   2.444  -1.314   9.146
   34    HD2  ARG   5           2HD      ARG   5   2.740  -1.161  11.584
   35    HD3  ARG   5           1HD      ARG   5   2.774  -2.841  11.057
   36    HE   ARG   5           HE       ARG   5   5.113  -2.926  11.562
   37   HH11  ARG   5          1HH2      ARG   5   3.724   0.216  11.931
   38   HH12  ARG   5          2HH2      ARG   5   5.064   0.839  12.833
   39   HH21  ARG   5          2HH1      ARG   5   6.853  -2.125  12.748
   40   HH22  ARG   5          1HH1      ARG   5   6.832  -0.481  13.294
   41    H    ALA   6           H        ALA   6   4.914  -2.118   4.857
   42    HA   ALA   6           HA       ALA   6   6.900  -4.197   5.010
   43    HB1  ALA   6           1HB      ALA   6   4.310  -4.994   3.646
   44    HB2  ALA   6           2HB      ALA   6   4.855  -5.616   5.201
   45    HB3  ALA   6           3HB      ALA   6   5.781  -5.965   3.744
   46    H    TRP   7           H        TRP   7   8.293  -3.723   3.444
   47    HA   TRP   7           HA       TRP   7   8.057  -1.736   1.520
   48    HB2  TRP   7           2HB      TRP   7  10.220  -2.573   1.978
   49    HB3  TRP   7           1HB      TRP   7   9.744  -4.232   1.611
   50    HD1  TRP   7           HD       TRP   7  10.502  -0.891  -0.085
   51    HE1  TRP   7           1HE      TRP   7  11.022  -1.330  -2.576
   52    HE3  TRP   7           3HE      TRP   7   9.410  -5.865  -0.337
   53    HZ2  TRP   7           2HZ      TRP   7  10.977  -3.519  -4.428
   54    HZ3  TRP   7           3HZ      TRP   7   9.652  -7.104  -2.468
   55    HH2  TRP   7           HH       TRP   7  10.432  -5.941  -4.514
   56    H    CYS   8           H        CYS   8   7.078  -1.547  -0.414
   57    HA   CYS   8           HA       CYS   8   6.003  -4.027  -1.719
   58    HB2  CYS   8           2HB      CYS   8   3.978  -3.032  -1.783
   59    HB3  CYS   8           1HB      CYS   8   4.624  -1.655  -0.892
   60    H    LYS   9           H        LYS   9   6.155  -4.010  -4.078
   61    HA   LYS   9           HA       LYS   9   8.411  -2.339  -5.038
   62    HB2  LYS   9           2HB      LYS   9   8.051  -4.968  -5.356
   63    HB3  LYS   9           1HB      LYS   9   7.112  -4.437  -6.749
   64    HG2  LYS   9           2HG      LYS   9   9.787  -3.158  -6.406
   65    HG3  LYS   9           1HG      LYS   9   9.788  -4.861  -6.850
   66    HD2  LYS   9           2HD      LYS   9   8.559  -4.455  -8.844
   67    HD3  LYS   9           1HD      LYS   9   8.116  -2.826  -8.331
   68    HE2  LYS   9           2HE      LYS   9  10.354  -2.030  -8.592
   69    HE3  LYS   9           1HE      LYS   9  10.991  -3.667  -8.759
   70    HZ1  LYS   9           3HZ      LYS   9  10.153  -3.873 -10.874
   71    HZ2  LYS   9           1HZ      LYS   9  10.582  -2.232 -10.855
   72    HZ3  LYS   9           2HZ      LYS   9   8.957  -2.688 -10.647
   73    H    GLU  10           H        GLU  10   4.982  -2.745  -5.378
   74    HA   GLU  10           HA       GLU  10   4.754  -0.241  -6.818
   75    HB2  GLU  10           2HB      GLU  10   3.465  -1.396  -8.759
   76    HB3  GLU  10           1HB      GLU  10   5.223  -1.401  -8.812
   77    HG2  GLU  10           2HG      GLU  10   5.268  -3.659  -7.851
   78    HG3  GLU  10           1HG      GLU  10   3.505  -3.658  -7.747
   79    H    LYS  11           H        LYS  11   2.223  -0.355  -7.751
   80    HA   LYS  11           HA       LYS  11   0.612  -0.310  -5.394
   81    HB2  LYS  11           2HB      LYS  11   0.090   0.875  -7.534
   82    HB3  LYS  11           1HB      LYS  11  -0.319  -0.679  -8.258
   83    HG2  LYS  11           2HG      LYS  11  -2.020  -0.996  -6.413
   84    HG3  LYS  11           1HG      LYS  11  -1.696   0.665  -5.916
   85    HD2  LYS  11           2HD      LYS  11  -2.505  -0.042  -8.745
   86    HD3  LYS  11           1HD      LYS  11  -3.690   0.320  -7.493
   87    HE2  LYS  11           2HE      LYS  11  -2.666   2.534  -7.145
   88    HE3  LYS  11           1HE      LYS  11  -1.454   2.176  -8.376
   89    HZ1  LYS  11           3HZ      LYS  11  -3.668   1.653  -9.730
   90    HZ2  LYS  11           1HZ      LYS  11  -2.949   3.189  -9.699
   91    HZ3  LYS  11           2HZ      LYS  11  -4.266   2.848  -8.681
   92    H    LYS  12           H        LYS  12   0.905  -2.745  -7.966
   93    HA   LYS  12           HA       LYS  12  -0.981  -4.585  -6.799
   94    HB2  LYS  12           2HB      LYS  12  -0.523  -4.746  -9.158
   95    HB3  LYS  12           1HB      LYS  12   1.207  -4.915  -8.870
   96    HG2  LYS  12           2HG      LYS  12   0.210  -7.093  -9.399
   97    HG3  LYS  12           1HG      LYS  12   0.801  -7.086  -7.741
   98    HD2  LYS  12           2HD      LYS  12  -1.427  -6.771  -6.869
   99    HD3  LYS  12           1HD      LYS  12  -2.079  -6.498  -8.484
  100    HE2  LYS  12           2HE      LYS  12  -2.630  -8.740  -8.138
  101    HE3  LYS  12           1HE      LYS  12  -1.079  -8.899  -8.961
  102    HZ1  LYS  12           3HZ      LYS  12  -1.396 -10.216  -6.839
  103    HZ2  LYS  12           1HZ      LYS  12  -1.277  -8.738  -6.016
  104    HZ3  LYS  12           2HZ      LYS  12   0.025  -9.292  -6.957
  105    H    ASP  13           H        ASP  13   2.416  -3.966  -6.282
  106    HA   ASP  13           HA       ASP  13   3.165  -6.497  -5.223
  107    HB2  ASP  13           2HB      ASP  13   4.634  -4.439  -5.847
  108    HB3  ASP  13           1HB      ASP  13   4.359  -3.953  -4.174
  109    H    CYS  14           H        CYS  14   1.132  -4.058  -3.736
  110    HA   CYS  14           HA       CYS  14   1.790  -4.997  -1.046
  111    HB2  CYS  14           2HB      CYS  14  -0.277  -3.100  -2.175
  112    HB3  CYS  14           1HB      CYS  14  -0.259  -3.573  -0.499
  113    H    CYS  15           H        CYS  15   0.946  -6.828  -0.256
  114    HA   CYS  15           HA       CYS  15  -0.757  -8.565  -1.661
  115    HB2  CYS  15           2HB      CYS  15   0.617  -8.622   0.775
  116    HB3  CYS  15           1HB      CYS  15  -1.065  -8.851   1.227
  117    H    CYS  16           H        CYS  16  -2.739  -9.425  -0.244
  118    HA   CYS  16           HA       CYS  16  -5.116  -8.978  -0.358
  119    HB2  CYS  16           2HB      CYS  16  -3.750  -8.920   1.970
  120    HB3  CYS  16           1HB      CYS  16  -4.574  -7.382   2.021
  121    H    GLY  17           H        GLY  17  -6.014  -6.682   1.190
  122    HA2  GLY  17           2HA      GLY  17  -6.330  -4.809  -1.050
  123    HA3  GLY  17           1HA      GLY  17  -7.246  -4.774   0.455
  124    H    TYR  18           H        TYR  18  -3.762  -5.112   0.374
  125    HA   TYR  18           HA       TYR  18  -3.520  -2.636   2.026
  126    HB2  TYR  18           2HB      TYR  18  -1.492  -4.604   0.923
  127    HB3  TYR  18           1HB      TYR  18  -1.075  -3.237   1.944
  128    HD1  TYR  18           1HD      TYR  18  -1.777  -3.162   4.299
  129    HD2  TYR  18           2HD      TYR  18  -2.579  -6.559   1.818
  130    HE1  TYR  18           1HE      TYR  18  -2.266  -4.521   6.310
  131    HE2  TYR  18           2HE      TYR  18  -3.067  -7.920   3.834
  132    HH   TYR  18           HH       TYR  18  -2.465  -7.878   6.264
  133    H    ASN  19           H        ASN  19  -2.825  -0.633   1.248
  134    HA   ASN  19           HA       ASN  19  -2.371  -0.499  -1.705
  135    HB2  ASN  19           2HB      ASN  19  -2.969   1.789  -1.588
  136    HB3  ASN  19           1HB      ASN  19  -4.079   0.991  -0.470
  137   HD21  ASN  19          1HD2      ASN  19  -2.880   3.826  -0.451
  138   HD22  ASN  19          2HD2      ASN  19  -2.204   3.975   1.097
  139    H    CYS  20           H        CYS  20  -0.504   0.549  -2.555
  140    HA   CYS  20           HA       CYS  20   1.822   0.452  -0.727
  141    HB2  CYS  20           2HB      CYS  20   1.807  -0.565  -3.071
  142    HB3  CYS  20           1HB      CYS  20   1.840   1.088  -3.679
  143    H    VAL  21           H        VAL  21   2.652   2.230   0.177
  144    HA   VAL  21           HA       VAL  21   2.004   4.900  -1.028
  145    HB   VAL  21           HB       VAL  21   2.426   4.184   1.894
  146   HG11  VAL  21          1HG1      VAL  21   1.568   6.583   2.171
  147   HG12  VAL  21          2HG1      VAL  21   1.896   6.790   0.451
  148   HG13  VAL  21          3HG1      VAL  21   3.213   6.412   1.561
  149   HG21  VAL  21          3HG2      VAL  21  -0.024   5.019   1.966
  150   HG22  VAL  21          1HG2      VAL  21   0.266   3.407   1.316
  151   HG23  VAL  21          2HG2      VAL  21  -0.023   4.758   0.222
  152    H    TYR  22           H        TYR  22   3.782   6.129  -1.584
  153    HA   TYR  22           HA       TYR  22   6.431   4.864  -1.162
  154    HB2  TYR  22           2HB      TYR  22   5.568   6.306  -3.175
  155    HB3  TYR  22           1HB      TYR  22   6.019   7.679  -2.161
  156    HD1  TYR  22           2HD      TYR  22   7.301   4.554  -3.723
  157    HD2  TYR  22           1HD      TYR  22   8.309   8.303  -1.885
  158    HE1  TYR  22           2HE      TYR  22   9.665   4.244  -4.394
  159    HE2  TYR  22           1HE      TYR  22  10.677   7.993  -2.558
  160    HH   TYR  22           HH       TYR  22  11.649   5.718  -4.837
  161    H    ALA  23           H        ALA  23   7.655   5.169   0.640
  162    HA   ALA  23           HA       ALA  23   6.970   7.417   2.466
  163    HB1  ALA  23           1HB      ALA  23   8.133   6.187   4.176
  164    HB2  ALA  23           2HB      ALA  23   8.851   5.100   2.987
  165    HB3  ALA  23           3HB      ALA  23   7.118   5.031   3.310
  166    H    TRP  24           H        TRP  24   8.045   9.123   1.305
  167    HA   TRP  24           HA       TRP  24  10.658   9.108   0.288
  168    HB2  TRP  24           2HB      TRP  24  10.476  11.633   1.425
  169    HB3  TRP  24           1HB      TRP  24   9.862  11.188  -0.164
  170    HD1  TRP  24           HD       TRP  24   8.702  11.491   3.487
  171    HE1  TRP  24           1HE      TRP  24   6.155  11.893   3.499
  172    HE3  TRP  24           3HE      TRP  24   7.710  10.990  -1.496
  173    HZ2  TRP  24           2HZ      TRP  24   3.984  11.991   1.637
  174    HZ3  TRP  24           3HZ      TRP  24   5.397  11.244  -2.350
  175    HH2  TRP  24           HH       TRP  24   3.534  11.744  -0.790
  176    H    TYR  25           H        TYR  25   9.701   8.467   3.466
  177    HA   TYR  25           HA       TYR  25  11.774   9.757   4.990
  178    HB2  TYR  25           2HB      TYR  25   9.994   7.409   5.324
  179    HB3  TYR  25           1HB      TYR  25  11.465   7.368   6.294
  180    HD1  TYR  25           2HD      TYR  25   8.368   9.278   5.581
  181    HD2  TYR  25           1HD      TYR  25  11.834   8.913   8.092
  182    HE1  TYR  25           2HE      TYR  25   7.373  10.887   7.186
  183    HE2  TYR  25           1HE      TYR  25  10.838  10.521   9.700
  184    HH   TYR  25           HH       TYR  25   8.547  11.316  10.318
  185    H    ASN  26           H        ASN  26  11.821   6.566   3.361
  186    HA   ASN  26           HA       ASN  26  14.770   6.795   3.200
  187    HB2  ASN  26           2HB      ASN  26  14.974   4.406   4.047
  188    HB3  ASN  26           1HB      ASN  26  14.545   5.602   5.274
  189   HD21  ASN  26          1HD2      ASN  26  11.869   5.951   5.080
  190   HD22  ASN  26          2HD2      ASN  26  11.026   4.487   5.233
  191    H    GLN  27           H        GLN  27  12.951   7.031   1.097
  192    HA   GLN  27           HA       GLN  27  12.301   6.046  -0.952
  193    HB2  GLN  27           2HB      GLN  27  15.025   4.800  -0.455
  194    HB3  GLN  27           1HB      GLN  27  14.176   4.746  -2.001
  195    HG2  GLN  27           2HG      GLN  27  14.883   7.313  -0.551
  196    HG3  GLN  27           1HG      GLN  27  15.855   6.609  -1.843
  197   HE21  GLN  27          1HE2      GLN  27  13.582   8.961  -1.369
  198   HE22  GLN  27          2HE2      GLN  27  12.826   8.946  -2.888
  199    H    GLN  28           H        GLN  28  11.148   4.745   1.250
  200    HA   GLN  28           HA       GLN  28  11.226   1.870   0.412
  201    HB2  GLN  28           2HB      GLN  28  11.982   1.729   2.598
  202    HB3  GLN  28           1HB      GLN  28  11.133   3.191   3.090
  203    HG2  GLN  28           2HG      GLN  28   9.026   2.041   3.199
  204    HG3  GLN  28           1HG      GLN  28   9.695   0.614   2.404
  205   HE21  GLN  28          1HE2      GLN  28   8.744   1.619   5.392
  206   HE22  GLN  28          2HE2      GLN  28   9.814   0.728   6.360
  207    H    SER  29           H        SER  29   9.260   0.930  -0.076
  208    HA   SER  29           HA       SER  29   6.902   2.745  -0.124
  209    HB2  SER  29           2HB      SER  29   6.821  -0.030  -1.248
  210    HB3  SER  29           1HB      SER  29   6.118   1.457  -1.870
  211    HG   SER  29           HG       SER  29   8.856   0.716  -1.863
  212    H    SER  30           H        SER  30   5.670   2.612   1.724
  213    HA   SER  30           HA       SER  30   5.625   0.101   3.220
  214    HB2  SER  30           2HB      SER  30   6.085   2.389   4.288
  215    HB3  SER  30           1HB      SER  30   4.362   2.691   4.078
  216    HG   SER  30           HG       SER  30   4.536   0.302   5.102
  217    H    CYS  31           H        CYS  31   3.995  -1.289   2.733
  218    HA   CYS  31           HA       CYS  31   1.603  -0.469   1.355
  219    HB2  CYS  31           2HB      CYS  31   2.300  -2.996   2.852
  220    HB3  CYS  31           1HB      CYS  31   0.817  -2.796   1.943
  221    H    GLU  32           H        GLU  32  -0.505  -0.148   2.183
  222    HA   GLU  32           HA       GLU  32  -0.807  -0.231   5.138
  223    HB2  GLU  32           2HB      GLU  32  -1.151   2.239   3.430
  224    HB3  GLU  32           1HB      GLU  32  -1.782   2.095   5.070
  225    HG2  GLU  32           2HG      GLU  32   0.452   1.642   5.896
  226    HG3  GLU  32           1HG      GLU  32   1.109   1.755   4.275
  227    H    ARG  33           H        ARG  33  -2.573  -1.566   5.270
  228    HA   ARG  33           HA       ARG  33  -4.772  -1.249   3.359
  229    HB2  ARG  33           2HB      ARG  33  -4.040  -3.352   5.042
  230    HB3  ARG  33           1HB      ARG  33  -5.472  -2.701   5.815
  231    HG2  ARG  33           2HG      ARG  33  -5.208  -3.751   2.991
  232    HG3  ARG  33           1HG      ARG  33  -6.254  -4.351   4.269
  233    HD2  ARG  33           2HD      ARG  33  -7.454  -2.153   4.238
  234    HD3  ARG  33           1HD      ARG  33  -6.497  -1.678   2.851
  235    HE   ARG  33           HE       ARG  33  -8.143  -4.146   2.675
  236   HH11  ARG  33          1HH2      ARG  33  -7.354  -0.917   1.702
  237   HH12  ARG  33          2HH2      ARG  33  -8.398  -0.944   0.321
  238   HH21  ARG  33          2HH1      ARG  33  -9.514  -4.174   0.873
  239   HH22  ARG  33          1HH1      ARG  33  -9.615  -2.777  -0.144
  240    H    LYS  34           H        LYS  34  -6.531   0.130   3.746
  241    HA   LYS  34           HA       LYS  34  -6.576   1.400   6.400
  242    HB2  LYS  34           2HB      LYS  34  -7.580   2.531   3.788
  243    HB3  LYS  34           1HB      LYS  34  -7.567   3.366   5.343
  244    HG2  LYS  34           2HG      LYS  34  -4.982   2.808   5.323
  245    HG3  LYS  34           1HG      LYS  34  -5.230   2.610   3.588
  246    HD2  LYS  34           2HD      LYS  34  -5.865   5.089   5.215
  247    HD3  LYS  34           1HD      LYS  34  -4.577   4.913   4.025
  248    HE2  LYS  34           2HE      LYS  34  -6.370   4.380   2.310
  249    HE3  LYS  34           1HE      LYS  34  -7.557   4.873   3.520
  250    HZ1  LYS  34           3HZ      LYS  34  -5.367   6.540   2.413
  251    HZ2  LYS  34           1HZ      LYS  34  -6.399   7.019   3.673
  252    HZ3  LYS  34           2HZ      LYS  34  -7.032   6.727   2.124
  253    H    TRP  35           H        TRP  35  -7.837  -1.097   5.271
  254    HA   TRP  35           HA       TRP  35 -10.695  -0.496   5.936
  255    HB2  TRP  35           2HB      TRP  35  -9.481  -2.618   4.159
  256    HB3  TRP  35           1HB      TRP  35 -11.165  -2.633   4.668
  257    HD1  TRP  35           HD       TRP  35  -8.772  -0.052   3.023
  258    HE1  TRP  35           1HE      TRP  35 -10.104   1.198   1.201
  259    HE3  TRP  35           3HE      TRP  35 -13.325  -2.285   3.583
  260    HZ2  TRP  35           2HZ      TRP  35 -12.761   1.239   0.125
  261    HZ3  TRP  35           3HZ      TRP  35 -15.233  -1.633   2.149
  262    HH2  TRP  35           HH       TRP  35 -14.960   0.125   0.421
  263    H    LYS  36           H        LYS  36  -7.894  -1.859   7.056
  264    HA   LYS  36           HA       LYS  36  -8.625  -4.356   8.144
  265    HB2  LYS  36           2HB      LYS  36  -6.374  -2.808   8.203
  266    HB3  LYS  36           1HB      LYS  36  -6.914  -2.660   9.872
  267    HG2  LYS  36           2HG      LYS  36  -6.917  -5.076  10.148
  268    HG3  LYS  36           1HG      LYS  36  -6.569  -5.308   8.433
  269    HD2  LYS  36           2HD      LYS  36  -4.423  -4.058   8.748
  270    HD3  LYS  36           1HD      LYS  36  -4.757  -3.995  10.478
  271    HE2  LYS  36           2HE      LYS  36  -4.778  -6.636   9.037
  272    HE3  LYS  36           1HE      LYS  36  -3.249  -5.923   9.548
  273    HZ1  LYS  36           3HZ      LYS  36  -4.808  -7.458  11.100
  274    HZ2  LYS  36           1HZ      LYS  36  -5.322  -5.908  11.561
  275    HZ3  LYS  36           2HZ      LYS  36  -3.682  -6.331  11.687
  276    H    TYR  37           H        TYR  37 -10.737  -2.212   8.447
  277    HA   TYR  37           HA       TYR  37 -11.002  -2.250  11.468
  278    HB2  TYR  37           2HB      TYR  37 -12.634  -0.799   9.353
  279    HB3  TYR  37           1HB      TYR  37 -12.808  -0.612  11.097
  280    HD1  TYR  37           2HD      TYR  37 -10.761   0.189  12.433
  281    HD2  TYR  37           1HD      TYR  37 -11.047   0.469   8.156
  282    HE1  TYR  37           2HE      TYR  37  -8.957   1.890  12.421
  283    HE2  TYR  37           1HE      TYR  37  -9.243   2.170   8.147
  284    HH   TYR  37           HH       TYR  37  -7.651   3.161   9.376
  285    H    LEU  38           H        LEU  38 -11.862  -4.240  12.005
  286    HA   LEU  38           HA       LEU  38 -13.525  -5.899  12.185
  287    HB2  LEU  38           2HB      LEU  38 -14.922  -3.609  11.392
  288    HB3  LEU  38           1HB      LEU  38 -15.382  -4.797  10.182
  289    HG   LEU  38           HG       LEU  38 -15.437  -5.681  13.044
  290   HD11  LEU  38          1HD1      LEU  38 -17.678  -4.700  13.361
  291   HD12  LEU  38          2HD1      LEU  38 -17.535  -3.870  11.812
  292   HD13  LEU  38          3HD1      LEU  38 -16.461  -3.442  13.144
  293   HD21  LEU  38          3HD2      LEU  38 -17.650  -6.091  11.067
  294   HD22  LEU  38          1HD2      LEU  38 -16.986  -7.211  12.255
  295   HD23  LEU  38          2HD2      LEU  38 -16.123  -6.908  10.751
  296    H    PHE  39           H        PHE  39 -14.484  -7.629  10.775
  297    HA   PHE  39           HA       PHE  39 -14.713  -8.807   8.697
  298    HB2  PHE  39           2HB      PHE  39 -13.083  -6.606   7.812
  299    HB3  PHE  39           1HB      PHE  39 -12.377  -8.109   7.238
  300    HD1  PHE  39           2HD      PHE  39 -13.997  -9.804   6.113
  301    HD2  PHE  39           1HD      PHE  39 -14.933  -5.659   6.741
  302    HE1  PHE  39           2HE      PHE  39 -15.757  -9.937   4.369
  303    HE2  PHE  39           1HE      PHE  39 -16.690  -5.791   5.000
  304    HZ   PHE  39           HZ       PHE  39 -17.104  -7.930   3.814
  305    H    THR  40           H        THR  40 -13.028 -10.413   7.580
  306    HA   THR  40           HA       THR  40 -11.777 -11.838   9.783
  307    HB   THR  40           HB       THR  40 -12.551 -13.345   8.198
  308    HG1  THR  40           1HG      THR  40 -10.135 -13.016   6.864
  309   HG21  THR  40          3HG2      THR  40 -11.926 -12.797   5.661
  310   HG22  THR  40          1HG2      THR  40 -11.879 -11.149   6.281
  311   HG23  THR  40          2HG2      THR  40 -13.356 -12.105   6.426
  312    H    GLY  41           H        GLY  41  -9.422 -12.714   9.305
  313    HA2  GLY  41           2HA      GLY  41  -7.612 -10.537   9.527
  314    HA3  GLY  41           1HA      GLY  41  -7.140 -12.199   9.167
  315    H    GLU  42           H        GLU  42  -9.365 -11.332   6.870
  316    HA   GLU  42           HA       GLU  42  -7.201 -10.815   4.907
  317    HB2  GLU  42           2HB      GLU  42  -8.909 -12.598   4.461
  318    HB3  GLU  42           1HB      GLU  42 -10.148 -11.343   4.419
  319    HG2  GLU  42           2HG      GLU  42  -8.942 -10.221   2.566
  320    HG3  GLU  42           1HG      GLU  42  -7.724 -11.498   2.600
  321    H    CYS  43           H        CYS  43  -6.959  -8.864   3.949
  322    HA   CYS  43           HA       CYS  43  -7.610  -6.439   4.865
  323    HB2  CYS  43           2HB      CYS  43  -7.946  -5.721   2.354
  324    HB3  CYS  43           1HB      CYS  43  -6.394  -6.346   2.887
  325    HXT  CYS  43           2HT      CYS  43  -9.552  -5.770   5.588
  Start of MODEL    7
    1    H1   CYS   1           1H       CYS   1   5.598  -9.526  -1.440
    2    H2   CYS   1           2H       CYS   1   4.487 -10.580  -0.745
    3    H3   CYS   1           3H       CYS   1   4.316 -10.119  -2.355
    4    HA   CYS   1           HA       CYS   1   3.897  -7.846  -1.706
    5    HB2  CYS   1           2HB      CYS   1   1.686  -8.185  -0.982
    6    HB3  CYS   1           1HB      CYS   1   2.058  -9.678  -1.822
    7    H    GLY   2           H        GLY   2   4.267  -6.257  -0.190
    8    HA2  GLY   2           2HA      GLY   2   5.692  -6.877   2.229
    9    HA3  GLY   2           1HA      GLY   2   5.007  -5.304   1.815
   10    H    SER   3           H        SER   3   2.400  -5.713   1.688
   11    HA   SER   3           HA       SER   3   0.408  -6.299   2.823
   12    HB2  SER   3           2HB      SER   3   1.815  -8.353   3.656
   13    HB3  SER   3           1HB      SER   3   1.977  -7.412   5.135
   14    HG   SER   3           HG       SER   3   0.090  -8.880   4.918
   15    H    LYS   4           H        LYS   4  -0.213  -5.959   5.461
   16    HA   LYS   4           HA       LYS   4  -0.255  -3.178   5.807
   17    HB2  LYS   4           2HB      LYS   4  -1.652  -4.891   7.035
   18    HB3  LYS   4           1HB      LYS   4  -0.257  -5.222   8.050
   19    HG2  LYS   4           2HG      LYS   4  -0.237  -2.936   8.864
   20    HG3  LYS   4           1HG      LYS   4  -1.521  -2.487   7.739
   21    HD2  LYS   4           2HD      LYS   4  -3.048  -4.094   8.837
   22    HD3  LYS   4           1HD      LYS   4  -1.772  -4.527   9.973
   23    HE2  LYS   4           2HE      LYS   4  -2.233  -1.628   9.836
   24    HE3  LYS   4           1HE      LYS   4  -3.653  -2.528  10.369
   25    HZ1  LYS   4           3HZ      LYS   4  -2.251  -1.956  12.231
   26    HZ2  LYS   4           1HZ      LYS   4  -0.924  -2.740  11.520
   27    HZ3  LYS   4           2HZ      LYS   4  -2.278  -3.641  12.015
   28    H    ARG   5           H        ARG   5   1.291  -1.707   6.435
   29    HA   ARG   5           HA       ARG   5   3.430  -0.937   7.052
   30    HB2  ARG   5           2HB      ARG   5   2.491  -1.375   9.286
   31    HB3  ARG   5           1HB      ARG   5   2.967  -3.068   9.169
   32    HG2  ARG   5           2HG      ARG   5   5.352  -2.332   8.968
   33    HG3  ARG   5           1HG      ARG   5   4.824  -0.670   9.236
   34    HD2  ARG   5           2HD      ARG   5   4.298  -2.958  11.154
   35    HD3  ARG   5           1HD      ARG   5   5.616  -1.803  11.328
   36    HE   ARG   5           HE       ARG   5   2.747  -1.244  11.760
   37   HH11  ARG   5          1HH2      ARG   5   5.996  -0.108  11.425
   38   HH12  ARG   5          2HH2      ARG   5   5.676   1.411  12.192
   39   HH21  ARG   5          2HH1      ARG   5   2.331   0.728  12.772
   40   HH22  ARG   5          1HH1      ARG   5   3.610   1.882  12.952
   41    H    ALA   6           H        ALA   6   4.365  -1.812   5.091
   42    HA   ALA   6           HA       ALA   6   6.551  -3.636   5.514
   43    HB1  ALA   6           1HB      ALA   6   4.700  -5.285   5.598
   44    HB2  ALA   6           2HB      ALA   6   5.724  -5.535   4.187
   45    HB3  ALA   6           3HB      ALA   6   4.155  -4.735   4.006
   46    H    TRP   7           H        TRP   7   7.980  -3.477   3.835
   47    HA   TRP   7           HA       TRP   7   7.929  -1.461   1.974
   48    HB2  TRP   7           2HB      TRP   7   9.949  -2.707   2.345
   49    HB3  TRP   7           1HB      TRP   7   9.220  -4.176   1.700
   50    HD1  TRP   7           HD       TRP   7   9.846  -0.551   0.448
   51    HE1  TRP   7           1HE      TRP   7  10.518  -0.680  -2.039
   52    HE3  TRP   7           3HE      TRP   7   9.526  -5.589  -0.292
   53    HZ2  TRP   7           2HZ      TRP   7  10.876  -2.661  -4.071
   54    HZ3  TRP   7           3HZ      TRP   7  10.041  -6.572  -2.508
   55    HH2  TRP   7           HH       TRP   7  10.716  -5.116  -4.397
   56    H    CYS   8           H        CYS   8   6.791  -1.004   0.195
   57    HA   CYS   8           HA       CYS   8   5.384  -3.251  -1.233
   58    HB2  CYS   8           2HB      CYS   8   3.516  -1.772  -1.626
   59    HB3  CYS   8           1HB      CYS   8   3.870  -1.710   0.097
   60    H    LYS   9           H        LYS   9   5.805  -3.287  -3.486
   61    HA   LYS   9           HA       LYS   9   7.602  -1.141  -4.488
   62    HB2  LYS   9           2HB      LYS   9   8.059  -3.598  -4.940
   63    HB3  LYS   9           1HB      LYS   9   6.632  -3.592  -5.979
   64    HG2  LYS   9           2HG      LYS   9   7.614  -1.789  -7.341
   65    HG3  LYS   9           1HG      LYS   9   9.030  -1.762  -6.296
   66    HD2  LYS   9           2HD      LYS   9   9.526  -4.104  -6.903
   67    HD3  LYS   9           1HD      LYS   9   8.117  -4.121  -7.965
   68    HE2  LYS   9           2HE      LYS   9  10.543  -2.320  -8.230
   69    HE3  LYS   9           1HE      LYS   9  10.115  -3.661  -9.293
   70    HZ1  LYS   9           3HZ      LYS   9   8.643  -1.115  -8.912
   71    HZ2  LYS   9           1HZ      LYS   9   7.984  -2.452  -9.724
   72    HZ3  LYS   9           2HZ      LYS   9   9.375  -1.690 -10.333
   73    H    GLU  10           H        GLU  10   4.486  -2.646  -5.273
   74    HA   GLU  10           HA       GLU  10   3.597  -0.097  -6.477
   75    HB2  GLU  10           2HB      GLU  10   3.185  -2.651  -8.030
   76    HB3  GLU  10           1HB      GLU  10   3.060  -0.987  -8.596
   77    HG2  GLU  10           2HG      GLU  10   5.496  -0.719  -8.376
   78    HG3  GLU  10           1HG      GLU  10   5.617  -2.375  -7.776
   79    H    LYS  11           H        LYS  11   1.200  -0.546  -7.264
   80    HA   LYS  11           HA       LYS  11  -0.338  -1.278  -4.979
   81    HB2  LYS  11           2HB      LYS  11  -1.381   0.186  -6.500
   82    HB3  LYS  11           1HB      LYS  11  -0.929  -0.782  -7.895
   83    HG2  LYS  11           2HG      LYS  11  -2.530  -2.543  -7.175
   84    HG3  LYS  11           1HG      LYS  11  -2.988  -1.546  -5.795
   85    HD2  LYS  11           2HD      LYS  11  -4.649  -1.076  -7.422
   86    HD3  LYS  11           1HD      LYS  11  -3.534   0.284  -7.543
   87    HE2  LYS  11           2HE      LYS  11  -3.550  -0.214  -9.773
   88    HE3  LYS  11           1HE      LYS  11  -2.405  -1.467  -9.323
   89    HZ1  LYS  11           3HZ      LYS  11  -5.306  -1.719  -9.783
   90    HZ2  LYS  11           1HZ      LYS  11  -4.449  -2.888  -8.902
   91    HZ3  LYS  11           2HZ      LYS  11  -4.034  -2.574 -10.518
   92    H    LYS  12           H        LYS  12   0.379  -3.082  -7.996
   93    HA   LYS  12           HA       LYS  12  -1.173  -5.389  -7.217
   94    HB2  LYS  12           2HB      LYS  12   0.614  -6.297  -9.095
   95    HB3  LYS  12           1HB      LYS  12  -0.943  -5.581  -9.462
   96    HG2  LYS  12           2HG      LYS  12   1.523  -3.887  -9.088
   97    HG3  LYS  12           1HG      LYS  12   1.137  -4.611 -10.644
   98    HD2  LYS  12           2HD      LYS  12  -1.057  -3.484 -10.633
   99    HD3  LYS  12           1HD      LYS  12  -0.675  -2.751  -9.081
  100    HE2  LYS  12           2HE      LYS  12   1.441  -1.840 -10.246
  101    HE3  LYS  12           1HE      LYS  12   0.624  -2.253 -11.751
  102    HZ1  LYS  12           3HZ      LYS  12  -0.415  -0.454  -9.629
  103    HZ2  LYS  12           1HZ      LYS  12  -1.254  -0.883 -11.040
  104    HZ3  LYS  12           2HZ      LYS  12   0.180   0.025 -11.147
  105    H    ASP  13           H        ASP  13   2.276  -4.533  -6.953
  106    HA   ASP  13           HA       ASP  13   3.166  -7.123  -6.181
  107    HB2  ASP  13           2HB      ASP  13   4.236  -4.327  -5.820
  108    HB3  ASP  13           1HB      ASP  13   5.092  -5.740  -5.247
  109    H    CYS  14           H        CYS  14   1.219  -4.866  -4.568
  110    HA   CYS  14           HA       CYS  14   2.118  -5.695  -1.872
  111    HB2  CYS  14           2HB      CYS  14   1.394  -3.324  -2.408
  112    HB3  CYS  14           1HB      CYS  14  -0.245  -3.947  -2.577
  113    H    CYS  15           H        CYS  15   0.723  -6.811  -0.407
  114    HA   CYS  15           HA       CYS  15  -0.831  -8.889  -1.579
  115    HB2  CYS  15           2HB      CYS  15  -0.089  -7.981   1.104
  116    HB3  CYS  15           1HB      CYS  15  -1.708  -8.662   1.054
  117    H    CYS  16           H        CYS  16  -3.011  -8.974  -2.076
  118    HA   CYS  16           HA       CYS  16  -4.464  -6.635  -2.565
  119    HB2  CYS  16           2HB      CYS  16  -5.024  -9.390  -2.741
  120    HB3  CYS  16           1HB      CYS  16  -6.302  -8.728  -1.729
  121    H    GLY  17           H        GLY  17  -5.912  -5.380  -1.374
  122    HA2  GLY  17           2HA      GLY  17  -7.204  -4.803   0.561
  123    HA3  GLY  17           1HA      GLY  17  -6.420  -6.097   1.460
  124    H    TYR  18           H        TYR  18  -3.965  -4.668  -0.182
  125    HA   TYR  18           HA       TYR  18  -3.598  -2.615   2.027
  126    HB2  TYR  18           2HB      TYR  18  -1.591  -4.549   0.884
  127    HB3  TYR  18           1HB      TYR  18  -1.171  -3.215   1.958
  128    HD1  TYR  18           1HD      TYR  18  -2.977  -3.056   4.010
  129    HD2  TYR  18           2HD      TYR  18  -1.790  -6.598   1.933
  130    HE1  TYR  18           1HE      TYR  18  -3.660  -4.410   5.969
  131    HE2  TYR  18           2HE      TYR  18  -2.468  -7.981   3.890
  132    HH   TYR  18           HH       TYR  18  -2.732  -7.094   6.746
  133    H    ASN  19           H        ASN  19  -2.727  -0.671   1.474
  134    HA   ASN  19           HA       ASN  19  -2.436  -0.201  -1.462
  135    HB2  ASN  19           2HB      ASN  19  -2.810   2.110  -1.014
  136    HB3  ASN  19           1HB      ASN  19  -3.958   1.246   0.090
  137   HD21  ASN  19          1HD2      ASN  19  -2.215   3.911   0.245
  138   HD22  ASN  19          2HD2      ASN  19  -1.635   3.809   1.837
  139    H    CYS  20           H        CYS  20  -0.504   0.635  -2.312
  140    HA   CYS  20           HA       CYS  20   1.874   0.179  -0.642
  141    HB2  CYS  20           2HB      CYS  20   1.950  -0.710  -2.883
  142    HB3  CYS  20           1HB      CYS  20   1.520   0.854  -3.565
  143    H    VAL  21           H        VAL  21   3.185   1.798   0.144
  144    HA   VAL  21           HA       VAL  21   2.499   4.616  -0.631
  145    HB   VAL  21           HB       VAL  21   3.283   3.485   2.069
  146   HG11  VAL  21          1HG1      VAL  21   2.911   6.366   1.209
  147   HG12  VAL  21          2HG1      VAL  21   4.421   5.623   1.737
  148   HG13  VAL  21          3HG1      VAL  21   3.091   5.826   2.877
  149   HG21  VAL  21          3HG2      VAL  21   1.102   4.175   2.776
  150   HG22  VAL  21          1HG2      VAL  21   0.878   3.306   1.258
  151   HG23  VAL  21          2HG2      VAL  21   0.832   5.069   1.279
  152    H    TYR  22           H        TYR  22   4.212   5.804  -1.379
  153    HA   TYR  22           HA       TYR  22   6.926   4.473  -1.144
  154    HB2  TYR  22           2HB      TYR  22   5.777   5.229  -3.380
  155    HB3  TYR  22           1HB      TYR  22   6.287   6.842  -2.895
  156    HD1  TYR  22           1HD      TYR  22   8.852   6.900  -1.981
  157    HD2  TYR  22           2HD      TYR  22   7.226   4.033  -4.740
  158    HE1  TYR  22           1HE      TYR  22  11.129   6.429  -2.837
  159    HE2  TYR  22           2HE      TYR  22   9.506   3.564  -5.594
  160    HH   TYR  22           HH       TYR  22  11.839   5.167  -5.581
  161    H    ALA  23           H        ALA  23   8.315   5.358   0.376
  162    HA   ALA  23           HA       ALA  23   7.589   7.981   1.534
  163    HB1  ALA  23           1HB      ALA  23  10.057   6.546   2.404
  164    HB2  ALA  23           2HB      ALA  23   8.511   5.762   2.732
  165    HB3  ALA  23           3HB      ALA  23   8.832   7.373   3.367
  166    H    TRP  24           H        TRP  24   8.340   9.760   0.580
  167    HA   TRP  24           HA       TRP  24  10.251   9.944  -1.451
  168    HB2  TRP  24           2HB      TRP  24  10.538  12.385  -0.342
  169    HB3  TRP  24           1HB      TRP  24   9.098  11.929  -1.254
  170    HD1  TRP  24           HD       TRP  24  10.317  11.595   2.391
  171    HE1  TRP  24           1HE      TRP  24   8.321  12.051   3.964
  172    HE3  TRP  24           3HE      TRP  24   6.665  12.417  -1.067
  173    HZ2  TRP  24           2HZ      TRP  24   5.535  12.691   3.765
  174    HZ3  TRP  24           3HZ      TRP  24   4.351  12.948  -0.357
  175    HH2  TRP  24           HH       TRP  24   3.781  13.086   2.053
  176    H    TYR  25           H        TYR  25  10.748   9.670   2.041
  177    HA   TYR  25           HA       TYR  25  13.687  10.255   1.620
  178    HB2  TYR  25           2HB      TYR  25  13.747  10.020   4.173
  179    HB3  TYR  25           1HB      TYR  25  12.885  11.412   3.528
  180    HD1  TYR  25           2HD      TYR  25  12.170   7.807   4.385
  181    HD2  TYR  25           1HD      TYR  25  10.812  11.885   4.471
  182    HE1  TYR  25           2HE      TYR  25  10.118   7.096   5.571
  183    HE2  TYR  25           1HE      TYR  25   8.761  11.172   5.657
  184    HH   TYR  25           HH       TYR  25   8.319   8.787   7.297
  185    H    ASN  26           H        ASN  26  15.232   8.770   2.719
  186    HA   ASN  26           HA       ASN  26  16.216   6.660   2.656
  187    HB2  ASN  26           2HB      ASN  26  15.450   5.265   4.343
  188    HB3  ASN  26           1HB      ASN  26  14.720   6.798   4.804
  189   HD21  ASN  26          1HD2      ASN  26  12.856   6.138   2.235
  190   HD22  ASN  26          2HD2      ASN  26  11.670   5.159   2.946
  191    H    GLN  27           H        GLN  27  14.046   7.373   0.528
  192    HA   GLN  27           HA       GLN  27  12.828   6.227  -1.160
  193    HB2  GLN  27           2HB      GLN  27  15.601   5.022  -1.140
  194    HB3  GLN  27           1HB      GLN  27  14.436   4.725  -2.430
  195    HG2  GLN  27           2HG      GLN  27  15.313   7.489  -1.552
  196    HG3  GLN  27           1HG      GLN  27  16.023   6.621  -2.912
  197   HE21  GLN  27          1HE2      GLN  27  13.939   9.057  -2.450
  198   HE22  GLN  27          2HE2      GLN  27  12.811   8.760  -3.686
  199    H    GLN  28           H        GLN  28  11.985   5.095   1.230
  200    HA   GLN  28           HA       GLN  28  11.908   2.176   0.541
  201    HB2  GLN  28           2HB      GLN  28  13.075   2.546   2.679
  202    HB3  GLN  28           1HB      GLN  28  11.695   3.459   3.282
  203    HG2  GLN  28           2HG      GLN  28  10.734   1.544   3.983
  204    HG3  GLN  28           1HG      GLN  28  10.681   0.967   2.320
  205   HE21  GLN  28          1HE2      GLN  28  11.475  -1.144   2.409
  206   HE22  GLN  28          2HE2      GLN  28  12.920  -1.601   3.174
  207    H    SER  29           H        SER  29   9.933   1.451   0.011
  208    HA   SER  29           HA       SER  29   7.570   3.190   0.544
  209    HB2  SER  29           2HB      SER  29   7.750   0.773  -1.259
  210    HB3  SER  29           1HB      SER  29   6.512   2.020  -1.278
  211    HG   SER  29           HG       SER  29   9.100   2.923  -1.550
  212    H    SER  30           H        SER  30   5.655   2.190   1.547
  213    HA   SER  30           HA       SER  30   5.954  -0.537   2.505
  214    HB2  SER  30           2HB      SER  30   7.025   0.622   4.304
  215    HB3  SER  30           1HB      SER  30   5.746   1.833   4.348
  216    HG   SER  30           HG       SER  30   4.311   0.118   4.935
  217    H    CYS  31           H        CYS  31   4.022  -1.591   2.453
  218    HA   CYS  31           HA       CYS  31   1.641  -0.153   1.662
  219    HB2  CYS  31           2HB      CYS  31   2.464  -2.934   1.901
  220    HB3  CYS  31           1HB      CYS  31   0.824  -2.695   2.479
  221    H    GLU  32           H        GLU  32  -0.442  -0.227   2.828
  222    HA   GLU  32           HA       GLU  32  -0.265  -0.710   5.729
  223    HB2  GLU  32           2HB      GLU  32  -0.723   1.422   6.490
  224    HB3  GLU  32           1HB      GLU  32   0.343   1.761   5.134
  225    HG2  GLU  32           2HG      GLU  32  -1.357   2.597   3.823
  226    HG3  GLU  32           1HG      GLU  32  -2.583   1.597   4.595
  227    H    ARG  33           H        ARG  33  -2.356  -0.735   6.789
  228    HA   ARG  33           HA       ARG  33  -4.291  -2.219   5.348
  229    HB2  ARG  33           2HB      ARG  33  -5.293  -2.506   7.371
  230    HB3  ARG  33           1HB      ARG  33  -3.777  -1.843   7.952
  231    HG2  ARG  33           2HG      ARG  33  -6.205  -0.119   7.380
  232    HG3  ARG  33           1HG      ARG  33  -5.885  -0.832   8.949
  233    HD2  ARG  33           2HD      ARG  33  -3.504   0.306   8.621
  234    HD3  ARG  33           1HD      ARG  33  -4.406   1.361   7.544
  235    HE   ARG  33           HE       ARG  33  -6.003   1.427   9.720
  236   HH11  ARG  33          1HH2      ARG  33  -2.570   1.580   9.387
  237   HH12  ARG  33          2HH2      ARG  33  -2.349   2.569  10.790
  238   HH21  ARG  33          2HH1      ARG  33  -5.723   2.721  11.552
  239   HH22  ARG  33          1HH1      ARG  33  -4.128   3.215  12.012
  240    H    LYS  34           H        LYS  34  -6.039  -1.682   4.182
  241    HA   LYS  34           HA       LYS  34  -7.286   0.927   4.430
  242    HB2  LYS  34           2HB      LYS  34  -5.933   0.050   1.890
  243    HB3  LYS  34           1HB      LYS  34  -7.215   1.213   1.878
  244    HG2  LYS  34           2HG      LYS  34  -5.261   1.909   3.898
  245    HG3  LYS  34           1HG      LYS  34  -4.442   1.632   2.371
  246    HD2  LYS  34           2HD      LYS  34  -6.914   3.356   2.520
  247    HD3  LYS  34           1HD      LYS  34  -5.321   4.016   2.876
  248    HE2  LYS  34           2HE      LYS  34  -4.522   3.327   0.657
  249    HE3  LYS  34           1HE      LYS  34  -6.098   2.627   0.291
  250    HZ1  LYS  34           3HZ      LYS  34  -5.612   5.479   0.954
  251    HZ2  LYS  34           1HZ      LYS  34  -7.089   4.792   0.486
  252    HZ3  LYS  34           2HZ      LYS  34  -5.802   4.872  -0.622
  253    H    TRP  35           H        TRP  35  -8.157  -1.676   5.083
  254    HA   TRP  35           HA       TRP  35 -10.049  -3.031   4.834
  255    HB2  TRP  35           2HB      TRP  35 -10.960  -0.992   2.787
  256    HB3  TRP  35           1HB      TRP  35 -11.967  -2.100   3.715
  257    HD1  TRP  35           HD       TRP  35  -9.644  -1.187   6.220
  258    HE1  TRP  35           1HE      TRP  35 -10.414   0.834   7.621
  259    HE3  TRP  35           3HE      TRP  35 -13.277   0.663   3.165
  260    HZ2  TRP  35           2HZ      TRP  35 -12.331   2.949   7.467
  261    HZ3  TRP  35           3HZ      TRP  35 -14.568   2.676   3.808
  262    HH2  TRP  35           HH       TRP  35 -14.098   3.825   5.954
  263    H    LYS  36           H        LYS  36 -11.544  -3.689   2.495
  264    HA   LYS  36           HA       LYS  36  -9.776  -4.264   0.286
  265    HB2  LYS  36           2HB      LYS  36  -9.750  -6.779   0.720
  266    HB3  LYS  36           1HB      LYS  36  -8.695  -5.804   1.731
  267    HG2  LYS  36           2HG      LYS  36  -9.661  -6.892   3.475
  268    HG3  LYS  36           1HG      LYS  36 -10.999  -5.780   3.222
  269    HD2  LYS  36           2HD      LYS  36 -12.199  -7.722   3.089
  270    HD3  LYS  36           1HD      LYS  36 -11.664  -7.690   1.412
  271    HE2  LYS  36           2HE      LYS  36 -10.524  -9.275   3.715
  272    HE3  LYS  36           1HE      LYS  36 -11.165  -9.879   2.188
  273    HZ1  LYS  36           3HZ      LYS  36  -8.594  -8.560   2.730
  274    HZ2  LYS  36           1HZ      LYS  36  -9.283  -8.447   1.184
  275    HZ3  LYS  36           2HZ      LYS  36  -8.916  -9.969   1.839
  276    H    TYR  37           H        TYR  37 -12.677  -3.480   1.047
  277    HA   TYR  37           HA       TYR  37 -13.943  -5.490  -0.852
  278    HB2  TYR  37           2HB      TYR  37 -14.615  -5.014   1.899
  279    HB3  TYR  37           1HB      TYR  37 -15.947  -4.434   0.905
  280    HD1  TYR  37           1HD      TYR  37 -13.936  -7.385   1.847
  281    HD2  TYR  37           2HD      TYR  37 -17.262  -5.959  -0.461
  282    HE1  TYR  37           1HE      TYR  37 -14.689  -9.721   1.496
  283    HE2  TYR  37           2HE      TYR  37 -18.016  -8.294  -0.816
  284    HH   TYR  37           HH       TYR  37 -16.070 -11.038   0.256
  285    H    LEU  38           H        LEU  38 -13.201  -2.287  -0.209
  286    HA   LEU  38           HA       LEU  38 -15.472  -0.928  -1.198
  287    HB2  LEU  38           2HB      LEU  38 -12.583  -0.266  -0.864
  288    HB3  LEU  38           1HB      LEU  38 -13.580   0.823  -1.825
  289    HG   LEU  38           HG       LEU  38 -13.358   1.237   0.747
  290   HD11  LEU  38          1HD1      LEU  38 -15.801   1.342  -0.981
  291   HD12  LEU  38          2HD1      LEU  38 -14.843   2.660  -0.309
  292   HD13  LEU  38          3HD1      LEU  38 -15.960   1.767   0.723
  293   HD21  LEU  38          3HD2      LEU  38 -15.553  -0.869   0.732
  294   HD22  LEU  38          1HD2      LEU  38 -15.016   0.071   2.115
  295   HD23  LEU  38          2HD2      LEU  38 -13.937  -1.115   1.386
  296    H    PHE  39           H        PHE  39 -12.576  -2.078  -2.970
  297    HA   PHE  39           HA       PHE  39 -13.420  -1.004  -5.482
  298    HB2  PHE  39           2HB      PHE  39 -11.641  -3.332  -4.759
  299    HB3  PHE  39           1HB      PHE  39 -12.040  -2.986  -6.439
  300    HD1  PHE  39           1HD      PHE  39 -11.911  -0.269  -6.949
  301    HD2  PHE  39           2HD      PHE  39  -9.605  -2.448  -4.048
  302    HE1  PHE  39           1HE      PHE  39 -10.154   1.477  -7.032
  303    HE2  PHE  39           2HE      PHE  39  -7.852  -0.700  -4.133
  304    HZ   PHE  39           HZ       PHE  39  -8.124   1.261  -5.625
  305    H    THR  40           H        THR  40 -13.166  -4.247  -6.146
  306    HA   THR  40           HA       THR  40 -15.975  -4.970  -5.725
  307    HB   THR  40           HB       THR  40 -16.376  -5.284  -8.202
  308    HG1  THR  40           1HG      THR  40 -14.825  -4.825  -9.522
  309   HG21  THR  40          3HG2      THR  40 -17.154  -3.263  -6.836
  310   HG22  THR  40          1HG2      THR  40 -17.055  -3.029  -8.581
  311   HG23  THR  40          2HG2      THR  40 -15.787  -2.394  -7.536
  312    H    GLY  41           H        GLY  41 -16.181  -7.225  -5.774
  313    HA2  GLY  41           2HA      GLY  41 -15.336  -9.428  -5.624
  314    HA3  GLY  41           1HA      GLY  41 -14.784  -9.101  -7.267
  315    H    GLU  42           H        GLU  42 -13.812  -9.283  -3.911
  316    HA   GLU  42           HA       GLU  42 -11.675  -9.395  -2.955
  317    HB2  GLU  42           2HB      GLU  42 -10.415 -10.855  -4.146
  318    HB3  GLU  42           1HB      GLU  42 -11.483 -10.613  -5.521
  319    HG2  GLU  42           2HG      GLU  42 -10.107  -8.696  -6.257
  320    HG3  GLU  42           1HG      GLU  42  -9.037  -8.935  -4.877
  321    H    CYS  43           H        CYS  43  -9.667  -8.043  -2.763
  322    HA   CYS  43           HA       CYS  43 -10.225  -5.292  -3.159
  323    HB2  CYS  43           2HB      CYS  43  -8.338  -4.975  -1.941
  324    HB3  CYS  43           1HB      CYS  43  -8.244  -6.731  -1.835
  325    HXT  CYS  43           2HT      CYS  43  -7.469  -6.660  -4.978
  Start of MODEL    8
    1    H1   CYS   1           1H       CYS   1   4.792  -8.019  -2.077
    2    H2   CYS   1           2H       CYS   1   5.193  -9.376  -1.168
    3    H3   CYS   1           3H       CYS   1   4.395  -9.554  -2.638
    4    HA   CYS   1           HA       CYS   1   2.440  -8.454  -1.758
    5    HB2  CYS   1           2HB      CYS   1   3.574 -10.967  -0.753
    6    HB3  CYS   1           1HB      CYS   1   2.372 -10.269   0.329
    7    H    GLY   2           H        GLY   2   4.199  -6.520  -0.804
    8    HA2  GLY   2           2HA      GLY   2   4.655  -6.440   1.980
    9    HA3  GLY   2           1HA      GLY   2   4.344  -5.008   1.002
   10    H    SER   3           H        SER   3   3.240  -6.581   3.640
   11    HA   SER   3           HA       SER   3   0.353  -6.042   3.121
   12    HB2  SER   3           2HB      SER   3   0.718  -8.231   4.011
   13    HB3  SER   3           1HB      SER   3   1.816  -7.623   5.246
   14    HG   SER   3           HG       SER   3  -0.584  -8.082   5.700
   15    H    LYS   4           H        LYS   4  -0.512  -5.518   5.732
   16    HA   LYS   4           HA       LYS   4  -0.306  -2.795   6.042
   17    HB2  LYS   4           2HB      LYS   4  -1.288  -4.844   7.662
   18    HB3  LYS   4           1HB      LYS   4  -0.055  -4.097   8.671
   19    HG2  LYS   4           2HG      LYS   4  -1.434  -1.917   7.548
   20    HG3  LYS   4           1HG      LYS   4  -2.697  -3.080   7.936
   21    HD2  LYS   4           2HD      LYS   4  -0.569  -2.079   9.849
   22    HD3  LYS   4           1HD      LYS   4  -2.259  -1.582   9.840
   23    HE2  LYS   4           2HE      LYS   4  -2.762  -4.134  10.080
   24    HE3  LYS   4           1HE      LYS   4  -1.082  -4.246  10.601
   25    HZ1  LYS   4           3HZ      LYS   4  -1.645  -2.376  12.180
   26    HZ2  LYS   4           1HZ      LYS   4  -2.299  -3.898  12.544
   27    HZ3  LYS   4           2HZ      LYS   4  -3.276  -2.702  11.837
   28    H    ARG   5           H        ARG   5   1.449  -1.504   6.113
   29    HA   ARG   5           HA       ARG   5   3.590  -0.736   6.661
   30    HB2  ARG   5           2HB      ARG   5   2.463  -1.667   8.994
   31    HB3  ARG   5           1HB      ARG   5   3.939  -2.622   8.919
   32    HG2  ARG   5           2HG      ARG   5   5.042  -0.272   8.348
   33    HG3  ARG   5           1HG      ARG   5   3.610   0.346   9.178
   34    HD2  ARG   5           2HD      ARG   5   5.636  -1.616  10.279
   35    HD3  ARG   5           1HD      ARG   5   5.389   0.048  10.805
   36    HE   ARG   5           HE       ARG   5   3.077  -0.697  11.554
   37   HH11  ARG   5          1HH2      ARG   5   5.636  -2.978  11.064
   38   HH12  ARG   5          2HH2      ARG   5   4.986  -4.134  12.173
   39   HH21  ARG   5          2HH1      ARG   5   2.227  -2.216  12.998
   40   HH22  ARG   5          1HH1      ARG   5   3.066  -3.709  13.260
   41    H    ALA   6           H        ALA   6   4.473  -1.764   4.743
   42    HA   ALA   6           HA       ALA   6   6.626  -3.582   5.270
   43    HB1  ALA   6           1HB      ALA   6   5.670  -5.525   3.912
   44    HB2  ALA   6           2HB      ALA   6   4.092  -4.775   4.137
   45    HB3  ALA   6           3HB      ALA   6   5.015  -5.321   5.536
   46    H    TRP   7           H        TRP   7   8.046  -3.523   3.617
   47    HA   TRP   7           HA       TRP   7   8.013  -1.651   1.597
   48    HB2  TRP   7           2HB      TRP   7  10.059  -2.749   2.127
   49    HB3  TRP   7           1HB      TRP   7   9.395  -4.330   1.711
   50    HD1  TRP   7           HD       TRP   7   9.953  -0.939  -0.076
   51    HE1  TRP   7           1HE      TRP   7  10.685  -1.426  -2.498
   52    HE3  TRP   7           3HE      TRP   7   9.785  -6.040  -0.033
   53    HZ2  TRP   7           2HZ      TRP   7  11.134  -3.681  -4.197
   54    HZ3  TRP   7           3HZ      TRP   7  10.372  -7.333  -2.065
   55    HH2  TRP   7           HH       TRP   7  11.046  -6.161  -4.143
   56    H    CYS   8           H        CYS   8   7.213  -1.446  -0.444
   57    HA   CYS   8           HA       CYS   8   5.919  -3.840  -1.730
   58    HB2  CYS   8           2HB      CYS   8   4.177  -2.167  -2.606
   59    HB3  CYS   8           1HB      CYS   8   4.053  -2.663  -0.932
   60    H    LYS   9           H        LYS   9   5.947  -3.715  -4.088
   61    HA   LYS   9           HA       LYS   9   8.048  -1.899  -5.137
   62    HB2  LYS   9           2HB      LYS   9   6.956  -4.529  -5.849
   63    HB3  LYS   9           1HB      LYS   9   7.115  -3.473  -7.235
   64    HG2  LYS   9           2HG      LYS   9   9.485  -3.003  -6.497
   65    HG3  LYS   9           1HG      LYS   9   9.281  -4.290  -5.310
   66    HD2  LYS   9           2HD      LYS   9   8.652  -4.820  -8.205
   67    HD3  LYS   9           1HD      LYS   9  10.324  -4.863  -7.647
   68    HE2  LYS   9           2HE      LYS   9   9.859  -6.616  -6.088
   69    HE3  LYS   9           1HE      LYS   9   8.116  -6.433  -6.292
   70    HZ1  LYS   9           3HZ      LYS   9   9.541  -8.250  -7.585
   71    HZ2  LYS   9           1HZ      LYS   9   9.656  -6.978  -8.699
   72    HZ3  LYS   9           2HZ      LYS   9   8.130  -7.558  -8.230
   73    H    GLU  10           H        GLU  10   4.731  -2.902  -5.839
   74    HA   GLU  10           HA       GLU  10   4.124  -0.196  -6.901
   75    HB2  GLU  10           2HB      GLU  10   3.307  -2.804  -8.241
   76    HB3  GLU  10           1HB      GLU  10   2.832  -1.190  -8.754
   77    HG2  GLU  10           2HG      GLU  10   4.637  -1.366 -10.147
   78    HG3  GLU  10           1HG      GLU  10   5.546  -0.903  -8.709
   79    H    LYS  11           H        LYS  11   1.508  -0.235  -7.228
   80    HA   LYS  11           HA       LYS  11   0.396  -0.663  -4.626
   81    HB2  LYS  11           2HB      LYS  11  -0.574   0.879  -6.364
   82    HB3  LYS  11           1HB      LYS  11  -1.115  -0.543  -7.255
   83    HG2  LYS  11           2HG      LYS  11  -2.512  -1.248  -5.396
   84    HG3  LYS  11           1HG      LYS  11  -1.888   0.055  -4.384
   85    HD2  LYS  11           2HD      LYS  11  -2.960   1.019  -6.946
   86    HD3  LYS  11           1HD      LYS  11  -4.173   0.200  -5.963
   87    HE2  LYS  11           2HE      LYS  11  -3.927   2.703  -5.550
   88    HE3  LYS  11           1HE      LYS  11  -3.810   1.680  -4.118
   89    HZ1  LYS  11           3HZ      LYS  11  -1.682   3.112  -5.554
   90    HZ2  LYS  11           1HZ      LYS  11  -1.299   1.707  -4.685
   91    HZ3  LYS  11           2HZ      LYS  11  -1.992   3.037  -3.886
   92    H    LYS  12           H        LYS  12   0.270  -2.570  -7.612
   93    HA   LYS  12           HA       LYS  12  -1.366  -4.664  -6.580
   94    HB2  LYS  12           2HB      LYS  12  -1.100  -5.541  -8.670
   95    HB3  LYS  12           1HB      LYS  12  -0.478  -3.941  -9.026
   96    HG2  LYS  12           2HG      LYS  12   1.819  -5.049  -8.205
   97    HG3  LYS  12           1HG      LYS  12   1.004  -6.527  -8.715
   98    HD2  LYS  12           2HD      LYS  12   1.324  -4.060 -10.450
   99    HD3  LYS  12           1HD      LYS  12   2.385  -5.461 -10.515
  100    HE2  LYS  12           2HE      LYS  12   0.705  -6.853 -11.386
  101    HE3  LYS  12           1HE      LYS  12  -0.593  -5.788 -10.848
  102    HZ1  LYS  12           3HZ      LYS  12  -0.537  -4.884 -12.857
  103    HZ2  LYS  12           1HZ      LYS  12   0.856  -5.749 -13.287
  104    HZ3  LYS  12           2HZ      LYS  12   0.997  -4.257 -12.490
  105    H    ASP  13           H        ASP  13   2.005  -3.892  -6.210
  106    HA   ASP  13           HA       ASP  13   2.951  -6.529  -5.572
  107    HB2  ASP  13           2HB      ASP  13   4.406  -4.564  -6.149
  108    HB3  ASP  13           1HB      ASP  13   4.087  -3.930  -4.528
  109    H    CYS  14           H        CYS  14   0.966  -4.347  -3.770
  110    HA   CYS  14           HA       CYS  14   1.786  -5.425  -1.175
  111    HB2  CYS  14           2HB      CYS  14  -0.431  -3.584  -2.112
  112    HB3  CYS  14           1HB      CYS  14  -0.220  -4.061  -0.447
  113    H    CYS  15           H        CYS  15   0.960  -7.219  -0.348
  114    HA   CYS  15           HA       CYS  15  -0.746  -8.950  -1.804
  115    HB2  CYS  15           2HB      CYS  15   0.640  -9.080   0.640
  116    HB3  CYS  15           1HB      CYS  15  -1.039  -9.435   1.035
  117    H    CYS  16           H        CYS  16  -2.684  -9.846  -0.148
  118    HA   CYS  16           HA       CYS  16  -5.068  -9.399  -0.300
  119    HB2  CYS  16           2HB      CYS  16  -4.117  -9.487   2.042
  120    HB3  CYS  16           1HB      CYS  16  -4.186  -7.732   2.018
  121    H    GLY  17           H        GLY  17  -5.877  -6.958   1.169
  122    HA2  GLY  17           2HA      GLY  17  -6.200  -5.249  -1.212
  123    HA3  GLY  17           1HA      GLY  17  -7.201  -5.187   0.233
  124    H    TYR  18           H        TYR  18  -3.708  -5.322   0.243
  125    HA   TYR  18           HA       TYR  18  -3.702  -2.736   1.758
  126    HB2  TYR  18           2HB      TYR  18  -1.568  -4.760   1.072
  127    HB3  TYR  18           1HB      TYR  18  -1.267  -3.311   2.017
  128    HD1  TYR  18           1HD      TYR  18  -2.825  -2.951   4.109
  129    HD2  TYR  18           2HD      TYR  18  -2.286  -6.690   2.091
  130    HE1  TYR  18           1HE      TYR  18  -3.575  -4.153   6.150
  131    HE2  TYR  18           2HE      TYR  18  -3.016  -7.903   4.132
  132    HH   TYR  18           HH       TYR  18  -3.481  -7.695   6.323
  133    H    ASN  19           H        ASN  19  -2.727  -0.842   1.000
  134    HA   ASN  19           HA       ASN  19  -2.157  -0.760  -1.926
  135    HB2  ASN  19           2HB      ASN  19  -3.663   0.950  -1.564
  136    HB3  ASN  19           1HB      ASN  19  -3.159   1.175   0.110
  137   HD21  ASN  19          1HD2      ASN  19  -1.978   3.059   0.464
  138   HD22  ASN  19          2HD2      ASN  19  -1.069   3.879  -0.711
  139    H    CYS  20           H        CYS  20  -0.237   0.406  -2.678
  140    HA   CYS  20           HA       CYS  20   2.042   0.109  -0.805
  141    HB2  CYS  20           2HB      CYS  20   2.271  -0.775  -3.099
  142    HB3  CYS  20           1HB      CYS  20   1.986   0.839  -3.746
  143    H    VAL  21           H        VAL  21   3.203   1.855  -0.060
  144    HA   VAL  21           HA       VAL  21   2.350   4.588  -0.884
  145    HB   VAL  21           HB       VAL  21   1.769   3.422   1.582
  146   HG11  VAL  21          1HG1      VAL  21   4.189   3.639   2.189
  147   HG12  VAL  21          2HG1      VAL  21   3.125   4.577   3.234
  148   HG13  VAL  21          3HG1      VAL  21   4.049   5.387   1.971
  149   HG21  VAL  21          3HG2      VAL  21   1.193   5.782   2.239
  150   HG22  VAL  21          1HG2      VAL  21   0.576   5.313   0.656
  151   HG23  VAL  21          2HG2      VAL  21   2.008   6.335   0.776
  152    H    TYR  22           H        TYR  22   4.016   6.303  -0.326
  153    HA   TYR  22           HA       TYR  22   6.784   5.057  -0.547
  154    HB2  TYR  22           2HB      TYR  22   6.099   6.304  -2.550
  155    HB3  TYR  22           1HB      TYR  22   5.790   7.731  -1.560
  156    HD1  TYR  22           1HD      TYR  22   8.501   5.231  -2.245
  157    HD2  TYR  22           2HD      TYR  22   7.509   9.299  -1.279
  158    HE1  TYR  22           1HE      TYR  22  10.896   5.855  -2.407
  159    HE2  TYR  22           2HE      TYR  22   9.903   9.920  -1.441
  160    HH   TYR  22           HH       TYR  22  12.191   8.510  -1.149
  161    H    ALA  23           H        ALA  23   8.261   5.566   0.996
  162    HA   ALA  23           HA       ALA  23   7.516   7.665   3.001
  163    HB1  ALA  23           1HB      ALA  23   9.170   6.437   4.475
  164    HB2  ALA  23           2HB      ALA  23   9.242   5.187   3.232
  165    HB3  ALA  23           3HB      ALA  23   7.721   5.518   4.063
  166    H    TRP  24           H        TRP  24   8.829   9.392   3.231
  167    HA   TRP  24           HA       TRP  24  10.852  10.058   1.373
  168    HB2  TRP  24           2HB      TRP  24  10.129  11.956   2.425
  169    HB3  TRP  24           1HB      TRP  24   9.874  11.128   3.961
  170    HD1  TRP  24           HD       TRP  24  11.888  10.906   5.611
  171    HE1  TRP  24           1HE      TRP  24  14.159  12.122   5.777
  172    HE3  TRP  24           3HE      TRP  24  12.070  13.070   0.989
  173    HZ2  TRP  24           2HZ      TRP  24  15.829  13.788   4.160
  174    HZ3  TRP  24           3HZ      TRP  24  14.012  14.461   0.327
  175    HH2  TRP  24           HH       TRP  24  15.890  14.823   1.905
  176    H    TYR  25           H        TYR  25  11.199   8.757   4.726
  177    HA   TYR  25           HA       TYR  25  14.135   8.819   4.507
  178    HB2  TYR  25           2HB      TYR  25  12.289   8.456   6.570
  179    HB3  TYR  25           1HB      TYR  25  13.094   6.893   6.447
  180    HD1  TYR  25           2HD      TYR  25  15.687   6.893   6.366
  181    HD2  TYR  25           1HD      TYR  25  13.351  10.265   7.640
  182    HE1  TYR  25           2HE      TYR  25  17.673   7.832   7.521
  183    HE2  TYR  25           1HE      TYR  25  15.335  11.203   8.794
  184    HH   TYR  25           HH       TYR  25  17.912  10.972   8.509
  185    H    ASN  26           H        ASN  26  15.546   7.198   3.966
  186    HA   ASN  26           HA       ASN  26  16.305   5.272   2.881
  187    HB2  ASN  26           2HB      ASN  26  13.936   4.220   4.428
  188    HB3  ASN  26           1HB      ASN  26  14.926   3.162   3.421
  189   HD21  ASN  26          1HD2      ASN  26  17.346   3.235   3.903
  190   HD22  ASN  26          2HD2      ASN  26  17.816   3.462   5.515
  191    H    GLN  27           H        GLN  27  14.270   7.063   1.567
  192    HA   GLN  27           HA       GLN  27  12.583   6.859  -0.166
  193    HB2  GLN  27           2HB      GLN  27  15.013   5.506  -1.365
  194    HB3  GLN  27           1HB      GLN  27  13.813   6.493  -2.200
  195    HG2  GLN  27           2HG      GLN  27  15.563   7.567   0.029
  196    HG3  GLN  27           1HG      GLN  27  16.003   7.676  -1.675
  197   HE21  GLN  27          1HE2      GLN  27  14.228   9.226   0.819
  198   HE22  GLN  27          2HE2      GLN  27  13.369  10.319  -0.157
  199    H    GLN  28           H        GLN  28  11.943   4.772   1.518
  200    HA   GLN  28           HA       GLN  28  11.775   2.379  -0.279
  201    HB2  GLN  28           2HB      GLN  28  12.996   2.284   2.028
  202    HB3  GLN  28           1HB      GLN  28  11.368   2.322   2.709
  203    HG2  GLN  28           2HG      GLN  28  10.760   0.280   1.678
  204    HG3  GLN  28           1HG      GLN  28  12.126   0.337   0.562
  205   HE21  GLN  28          1HE2      GLN  28  11.968   0.769   4.141
  206   HE22  GLN  28          2HE2      GLN  28  13.112  -0.438   4.482
  207    H    SER  29           H        SER  29   9.744   1.470  -0.657
  208    HA   SER  29           HA       SER  29   7.412   3.122   0.114
  209    HB2  SER  29           2HB      SER  29   7.542   0.721  -1.724
  210    HB3  SER  29           1HB      SER  29   6.201   1.844  -1.567
  211    HG   SER  29           HG       SER  29   8.803   2.713  -2.237
  212    H    SER  30           H        SER  30   5.684   2.323   1.384
  213    HA   SER  30           HA       SER  30   5.996  -0.389   2.489
  214    HB2  SER  30           2HB      SER  30   6.755   1.166   4.185
  215    HB3  SER  30           1HB      SER  30   5.300   2.138   3.982
  216    HG   SER  30           HG       SER  30   4.767   0.871   5.636
  217    H    CYS  31           H        CYS  31   4.147  -1.614   2.488
  218    HA   CYS  31           HA       CYS  31   1.768  -0.627   1.189
  219    HB2  CYS  31           2HB      CYS  31   2.259  -3.176   2.734
  220    HB3  CYS  31           1HB      CYS  31   0.797  -2.842   1.818
  221    H    GLU  32           H        GLU  32  -0.243  -0.106   2.067
  222    HA   GLU  32           HA       GLU  32  -0.712  -0.324   4.947
  223    HB2  GLU  32           2HB      GLU  32  -0.711   1.900   5.512
  224    HB3  GLU  32           1HB      GLU  32   0.507   1.957   4.242
  225    HG2  GLU  32           2HG      GLU  32  -1.111   2.708   2.623
  226    HG3  GLU  32           1HG      GLU  32  -2.433   2.409   3.747
  227    H    ARG  33           H        ARG  33  -2.862  -0.639   5.344
  228    HA   ARG  33           HA       ARG  33  -4.638  -1.215   3.210
  229    HB2  ARG  33           2HB      ARG  33  -5.053  -2.163   5.380
  230    HB3  ARG  33           1HB      ARG  33  -5.181  -0.567   6.115
  231    HG2  ARG  33           2HG      ARG  33  -7.030  -1.054   3.839
  232    HG3  ARG  33           1HG      ARG  33  -7.338  -2.035   5.271
  233    HD2  ARG  33           2HD      ARG  33  -7.254   0.986   5.091
  234    HD3  ARG  33           1HD      ARG  33  -8.626  -0.028   5.525
  235    HE   ARG  33           HE       ARG  33  -6.411   0.728   7.293
  236   HH11  ARG  33          1HH2      ARG  33  -9.000  -1.442   6.589
  237   HH12  ARG  33          2HH2      ARG  33  -9.219  -1.920   8.240
  238   HH21  ARG  33          2HH1      ARG  33  -6.682   0.123   9.440
  239   HH22  ARG  33          1HH1      ARG  33  -7.903  -1.035   9.857
  240    H    LYS  34           H        LYS  34  -6.290  -0.026   2.230
  241    HA   LYS  34           HA       LYS  34  -7.236   2.475   3.095
  242    HB2  LYS  34           2HB      LYS  34  -4.824   2.539   1.368
  243    HB3  LYS  34           1HB      LYS  34  -6.110   3.672   0.964
  244    HG2  LYS  34           2HG      LYS  34  -5.817   3.794   3.792
  245    HG3  LYS  34           1HG      LYS  34  -4.187   3.801   3.132
  246    HD2  LYS  34           2HD      LYS  34  -4.486   5.828   2.051
  247    HD3  LYS  34           1HD      LYS  34  -6.223   5.591   1.852
  248    HE2  LYS  34           2HE      LYS  34  -4.921   6.050   4.545
  249    HE3  LYS  34           1HE      LYS  34  -5.595   7.350   3.562
  250    HZ1  LYS  34           3HZ      LYS  34  -7.733   6.408   3.682
  251    HZ2  LYS  34           1HZ      LYS  34  -7.128   6.353   5.267
  252    HZ3  LYS  34           2HZ      LYS  34  -7.150   4.943   4.318
  253    H    TRP  35           H        TRP  35  -6.356   1.832  -0.215
  254    HA   TRP  35           HA       TRP  35  -9.273   1.472  -0.819
  255    HB2  TRP  35           2HB      TRP  35  -7.078   2.419  -2.687
  256    HB3  TRP  35           1HB      TRP  35  -8.786   2.294  -3.072
  257    HD1  TRP  35           HD       TRP  35  -9.226   3.538   0.154
  258    HE1  TRP  35           1HE      TRP  35  -9.244   6.115   0.268
  259    HE3  TRP  35           3HE      TRP  35  -7.061   4.632  -4.336
  260    HZ2  TRP  35           2HZ      TRP  35  -8.442   8.348  -1.341
  261    HZ3  TRP  35           3HZ      TRP  35  -6.700   6.984  -5.024
  262    HH2  TRP  35           HH       TRP  35  -7.388   8.842  -3.534
  263    H    LYS  36           H        LYS  36  -9.056   0.547  -3.375
  264    HA   LYS  36           HA       LYS  36  -7.246  -1.625  -3.754
  265    HB2  LYS  36           2HB      LYS  36  -8.873  -2.448  -1.857
  266    HB3  LYS  36           1HB      LYS  36 -10.025  -2.607  -3.185
  267    HG2  LYS  36           2HG      LYS  36  -8.065  -3.868  -4.388
  268    HG3  LYS  36           1HG      LYS  36  -7.425  -4.056  -2.759
  269    HD2  LYS  36           2HD      LYS  36  -9.441  -5.199  -2.032
  270    HD3  LYS  36           1HD      LYS  36 -10.225  -4.886  -3.581
  271    HE2  LYS  36           2HE      LYS  36  -8.164  -6.135  -4.602
  272    HE3  LYS  36           1HE      LYS  36  -7.949  -6.765  -2.968
  273    HZ1  LYS  36           3HZ      LYS  36 -10.129  -7.229  -4.873
  274    HZ2  LYS  36           1HZ      LYS  36 -10.492  -7.253  -3.217
  275    HZ3  LYS  36           2HZ      LYS  36  -9.336  -8.325  -3.847
  276    H    TYR  37           H        TYR  37 -10.651  -0.833  -4.171
  277    HA   TYR  37           HA       TYR  37 -10.466   0.018  -6.880
  278    HB2  TYR  37           2HB      TYR  37 -10.641  -2.936  -6.541
  279    HB3  TYR  37           1HB      TYR  37 -11.686  -2.222  -7.765
  280    HD1  TYR  37           1HD      TYR  37 -10.308  -0.221  -9.146
  281    HD2  TYR  37           2HD      TYR  37  -8.636  -3.763  -7.372
  282    HE1  TYR  37           1HE      TYR  37  -8.393  -0.110 -10.720
  283    HE2  TYR  37           2HE      TYR  37  -6.725  -3.647  -8.944
  284    HH   TYR  37           HH       TYR  37  -6.258  -0.899 -11.079
  285    H    LEU  38           H        LEU  38 -12.264  -1.403  -4.314
  286    HA   LEU  38           HA       LEU  38 -14.319  -0.098  -3.629
  287    HB2  LEU  38           2HB      LEU  38 -14.582   0.927  -5.878
  288    HB3  LEU  38           1HB      LEU  38 -15.054  -0.641  -6.530
  289    HG   LEU  38           HG       LEU  38 -17.040  -0.661  -5.111
  290   HD11  LEU  38          1HD1      LEU  38 -17.508   1.599  -3.888
  291   HD12  LEU  38          2HD1      LEU  38 -15.765   1.839  -3.991
  292   HD13  LEU  38          3HD1      LEU  38 -16.414   0.456  -3.111
  293   HD21  LEU  38          3HD2      LEU  38 -17.238   0.426  -7.258
  294   HD22  LEU  38          1HD2      LEU  38 -16.573   1.922  -6.605
  295   HD23  LEU  38          2HD2      LEU  38 -18.160   1.358  -6.078
  296    H    PHE  39           H        PHE  39 -16.625  -1.292  -3.548
  297    HA   PHE  39           HA       PHE  39 -17.508  -3.290  -2.574
  298    HB2  PHE  39           2HB      PHE  39 -17.661  -3.140  -5.326
  299    HB3  PHE  39           1HB      PHE  39 -16.964  -4.739  -5.090
  300    HD1  PHE  39           2HD      PHE  39 -18.123  -6.144  -3.110
  301    HD2  PHE  39           1HD      PHE  39 -19.975  -2.953  -5.309
  302    HE1  PHE  39           2HE      PHE  39 -20.361  -7.030  -2.512
  303    HE2  PHE  39           1HE      PHE  39 -22.211  -3.838  -4.714
  304    HZ   PHE  39           HZ       PHE  39 -22.405  -5.877  -3.316
  305    H    THR  40           H        THR  40 -16.328  -4.366  -1.054
  306    HA   THR  40           HA       THR  40 -15.037  -6.135  -0.187
  307    HB   THR  40           HB       THR  40 -14.013  -6.748  -2.962
  308    HG1  THR  40           1HG      THR  40 -16.505  -7.337  -1.776
  309   HG21  THR  40          3HG2      THR  40 -13.463  -7.831  -0.481
  310   HG22  THR  40          1HG2      THR  40 -13.255  -8.672  -2.018
  311   HG23  THR  40          2HG2      THR  40 -14.733  -8.897  -1.083
  312    H    GLY  41           H        GLY  41 -14.114  -3.332  -1.346
  313    HA2  GLY  41           2HA      GLY  41 -11.244  -3.696  -1.619
  314    HA3  GLY  41           1HA      GLY  41 -12.076  -2.148  -1.467
  315    H    GLU  42           H        GLU  42 -12.722  -4.592   0.920
  316    HA   GLU  42           HA       GLU  42 -11.184  -2.972   2.913
  317    HB2  GLU  42           2HB      GLU  42 -13.629  -3.164   3.315
  318    HB3  GLU  42           1HB      GLU  42 -13.472  -4.919   3.358
  319    HG2  GLU  42           2HG      GLU  42 -13.461  -4.145   5.643
  320    HG3  GLU  42           1HG      GLU  42 -11.813  -4.632   5.253
  321    H    CYS  43           H        CYS  43  -9.612  -3.963   4.149
  322    HA   CYS  43           HA       CYS  43  -9.412  -6.870   4.336
  323    HB2  CYS  43           2HB      CYS  43  -8.397  -6.673   2.160
  324    HB3  CYS  43           1HB      CYS  43  -7.415  -5.303   2.681
  325    HXT  CYS  43           2HT      CYS  43  -8.521  -3.966   6.101
  Start of MODEL    9
    1    H1   CYS   1           1H       CYS   1   5.476  -8.874  -1.869
    2    H2   CYS   1           2H       CYS   1   4.836 -10.283  -1.208
    3    H3   CYS   1           3H       CYS   1   4.432  -9.830  -2.776
    4    HA   CYS   1           HA       CYS   1   3.290  -7.891  -1.971
    5    HB2  CYS   1           2HB      CYS   1   1.368  -9.009  -1.404
    6    HB3  CYS   1           1HB      CYS   1   2.290 -10.361  -2.025
    7    H    GLY   2           H        GLY   2   3.852  -6.277  -0.579
    8    HA2  GLY   2           2HA      GLY   2   5.116  -6.775   1.959
    9    HA3  GLY   2           1HA      GLY   2   4.431  -5.228   1.446
   10    H    SER   3           H        SER   3   4.163  -6.582   4.074
   11    HA   SER   3           HA       SER   3   1.287  -7.325   4.109
   12    HB2  SER   3           2HB      SER   3   3.109  -8.612   5.390
   13    HB3  SER   3           1HB      SER   3   3.166  -7.227   6.477
   14    HG   SER   3           HG       SER   3   0.620  -7.989   5.972
   15    H    LYS   4           H        LYS   4   0.264  -6.385   6.343
   16    HA   LYS   4           HA       LYS   4  -0.334  -3.688   5.939
   17    HB2  LYS   4           2HB      LYS   4  -1.517  -5.236   7.505
   18    HB3  LYS   4           1HB      LYS   4  -0.152  -5.125   8.610
   19    HG2  LYS   4           2HG      LYS   4  -0.548  -2.774   8.980
   20    HG3  LYS   4           1HG      LYS   4  -1.764  -2.728   7.698
   21    HD2  LYS   4           2HD      LYS   4  -3.327  -3.946   8.945
   22    HD3  LYS   4           1HD      LYS   4  -2.098  -4.642   9.999
   23    HE2  LYS   4           2HE      LYS   4  -3.645  -2.718  10.899
   24    HE3  LYS   4           1HE      LYS   4  -1.928  -2.712  11.297
   25    HZ1  LYS   4           3HZ      LYS   4  -1.524  -1.190   9.496
   26    HZ2  LYS   4           1HZ      LYS   4  -2.717  -0.550  10.517
   27    HZ3  LYS   4           2HZ      LYS   4  -3.157  -1.242   9.030
   28    H    ARG   5           H        ARG   5   0.982  -1.932   5.965
   29    HA   ARG   5           HA       ARG   5   2.810  -0.547   6.446
   30    HB2  ARG   5           2HB      ARG   5   2.767  -2.110   9.051
   31    HB3  ARG   5           1HB      ARG   5   3.716  -0.655   8.764
   32    HG2  ARG   5           2HG      ARG   5   0.701  -0.775   8.478
   33    HG3  ARG   5           1HG      ARG   5   1.524  -0.240   9.942
   34    HD2  ARG   5           2HD      ARG   5   2.799   1.360   8.252
   35    HD3  ARG   5           1HD      ARG   5   1.367   1.093   7.262
   36    HE   ARG   5           HE       ARG   5   0.011   1.995   9.151
   37   HH11  ARG   5          1HH2      ARG   5   3.442   2.492   9.162
   38   HH12  ARG   5          2HH2      ARG   5   3.362   3.855  10.225
   39   HH21  ARG   5          2HH1      ARG   5  -0.086   3.767  10.533
   40   HH22  ARG   5          1HH1      ARG   5   1.374   4.575  10.997
   41    H    ALA   6           H        ALA   6   4.071  -1.600   4.763
   42    HA   ALA   6           HA       ALA   6   6.572  -2.691   5.648
   43    HB1  ALA   6           1HB      ALA   6   4.946  -4.655   6.022
   44    HB2  ALA   6           2HB      ALA   6   6.397  -4.990   5.082
   45    HB3  ALA   6           3HB      ALA   6   4.855  -4.753   4.263
   46    H    TRP   7           H        TRP   7   8.054  -2.852   3.973
   47    HA   TRP   7           HA       TRP   7   7.977  -1.252   1.769
   48    HB2  TRP   7           2HB      TRP   7  10.029  -2.309   2.360
   49    HB3  TRP   7           1HB      TRP   7   9.352  -3.915   2.107
   50    HD1  TRP   7           HD       TRP   7  10.660  -0.871   0.194
   51    HE1  TRP   7           1HE      TRP   7  11.105  -1.563  -2.248
   52    HE3  TRP   7           3HE      TRP   7   8.695  -5.572   0.257
   53    HZ2  TRP   7           2HZ      TRP   7  10.680  -3.829  -3.951
   54    HZ3  TRP   7           3HZ      TRP   7   8.728  -6.979  -1.781
   55    HH2  TRP   7           HH       TRP   7   9.716  -6.120  -3.881
   56    H    CYS   8           H        CYS   8   7.141  -1.190  -0.215
   57    HA   CYS   8           HA       CYS   8   5.781  -3.631  -1.314
   58    HB2  CYS   8           2HB      CYS   8   3.997  -2.109  -2.180
   59    HB3  CYS   8           1HB      CYS   8   4.051  -2.182  -0.428
   60    H    LYS   9           H        LYS   9   5.642  -3.556  -3.723
   61    HA   LYS   9           HA       LYS   9   7.893  -1.981  -4.859
   62    HB2  LYS   9           2HB      LYS   9   6.849  -4.604  -5.366
   63    HB3  LYS   9           1HB      LYS   9   6.653  -3.659  -6.837
   64    HG2  LYS   9           2HG      LYS   9   9.219  -2.970  -5.976
   65    HG3  LYS   9           1HG      LYS   9   9.111  -4.682  -5.590
   66    HD2  LYS   9           2HD      LYS   9   8.825  -5.308  -7.819
   67    HD3  LYS   9           1HD      LYS   9   8.199  -3.728  -8.294
   68    HE2  LYS   9           2HE      LYS   9  10.483  -2.771  -7.826
   69    HE3  LYS   9           1HE      LYS   9  11.065  -4.421  -7.602
   70    HZ1  LYS   9           3HZ      LYS   9   9.904  -3.226 -10.053
   71    HZ2  LYS   9           1HZ      LYS   9  10.160  -4.891  -9.867
   72    HZ3  LYS   9           2HZ      LYS   9  11.481  -3.822  -9.835
   73    H    GLU  10           H        GLU  10   4.444  -2.579  -5.328
   74    HA   GLU  10           HA       GLU  10   4.086   0.128  -6.355
   75    HB2  GLU  10           2HB      GLU  10   2.853  -0.817  -8.430
   76    HB3  GLU  10           1HB      GLU  10   4.613  -0.758  -8.483
   77    HG2  GLU  10           2HG      GLU  10   4.835  -3.063  -8.166
   78    HG3  GLU  10           1HG      GLU  10   3.234  -3.218  -7.446
   79    H    LYS  11           H        LYS  11   1.573  -0.053  -7.332
   80    HA   LYS  11           HA       LYS  11  -0.036  -0.330  -5.005
   81    HB2  LYS  11           2HB      LYS  11  -0.679   1.119  -6.833
   82    HB3  LYS  11           1HB      LYS  11  -0.775  -0.249  -7.938
   83    HG2  LYS  11           2HG      LYS  11  -2.926  -0.581  -7.352
   84    HG3  LYS  11           1HG      LYS  11  -2.438  -0.843  -5.680
   85    HD2  LYS  11           2HD      LYS  11  -2.624   1.494  -5.170
   86    HD3  LYS  11           1HD      LYS  11  -2.841   1.912  -6.871
   87    HE2  LYS  11           2HE      LYS  11  -4.924   0.432  -6.823
   88    HE3  LYS  11           1HE      LYS  11  -4.753   0.412  -5.067
   89    HZ1  LYS  11           3HZ      LYS  11  -5.930   2.290  -5.142
   90    HZ2  LYS  11           1HZ      LYS  11  -5.659   2.516  -6.801
   91    HZ3  LYS  11           2HZ      LYS  11  -4.496   3.031  -5.675
   92    H    LYS  12           H        LYS  12   0.358  -2.570  -7.778
   93    HA   LYS  12           HA       LYS  12  -1.539  -4.440  -6.547
   94    HB2  LYS  12           2HB      LYS  12  -1.089  -3.968  -9.096
   95    HB3  LYS  12           1HB      LYS  12   0.173  -5.183  -8.891
   96    HG2  LYS  12           2HG      LYS  12  -1.443  -6.806  -8.082
   97    HG3  LYS  12           1HG      LYS  12  -2.722  -5.591  -8.084
   98    HD2  LYS  12           2HD      LYS  12  -2.514  -5.362 -10.528
   99    HD3  LYS  12           1HD      LYS  12  -1.229  -6.570 -10.534
  100    HE2  LYS  12           2HE      LYS  12  -3.612  -7.386 -11.093
  101    HE3  LYS  12           1HE      LYS  12  -2.703  -8.312  -9.897
  102    HZ1  LYS  12           3HZ      LYS  12  -4.359  -6.086  -8.957
  103    HZ2  LYS  12           1HZ      LYS  12  -3.989  -7.556  -8.196
  104    HZ3  LYS  12           2HZ      LYS  12  -5.146  -7.512  -9.439
  105    H    ASP  13           H        ASP  13   1.916  -4.030  -6.449
  106    HA   ASP  13           HA       ASP  13   2.522  -6.791  -5.918
  107    HB2  ASP  13           2HB      ASP  13   3.965  -4.198  -5.784
  108    HB3  ASP  13           1HB      ASP  13   4.619  -5.536  -4.870
  109    H    CYS  14           H        CYS  14   0.742  -4.670  -4.046
  110    HA   CYS  14           HA       CYS  14   1.908  -5.529  -1.490
  111    HB2  CYS  14           2HB      CYS  14  -0.284  -3.646  -2.321
  112    HB3  CYS  14           1HB      CYS  14  -0.147  -4.186  -0.662
  113    H    CYS  15           H        CYS  15   0.868  -6.953  -0.081
  114    HA   CYS  15           HA       CYS  15  -0.645  -9.050  -1.200
  115    HB2  CYS  15           2HB      CYS  15   0.329  -8.311   1.405
  116    HB3  CYS  15           1HB      CYS  15  -1.327  -8.891   1.552
  117    H    CYS  16           H        CYS  16  -2.654  -9.181  -1.836
  118    HA   CYS  16           HA       CYS  16  -4.529  -7.316  -2.247
  119    HB2  CYS  16           2HB      CYS  16  -5.363  -9.384  -2.837
  120    HB3  CYS  16           1HB      CYS  16  -4.781 -10.147  -1.363
  121    H    GLY  17           H        GLY  17  -5.688  -5.831  -1.101
  122    HA2  GLY  17           2HA      GLY  17  -7.054  -5.188   0.814
  123    HA3  GLY  17           1HA      GLY  17  -6.117  -6.292   1.814
  124    H    TYR  18           H        TYR  18  -3.682  -5.061   0.152
  125    HA   TYR  18           HA       TYR  18  -3.555  -2.554   1.869
  126    HB2  TYR  18           2HB      TYR  18  -1.301  -4.492   1.302
  127    HB3  TYR  18           1HB      TYR  18  -1.182  -3.005   2.236
  128    HD1  TYR  18           1HD      TYR  18  -3.255  -2.831   4.045
  129    HD2  TYR  18           2HD      TYR  18  -1.406  -6.424   2.600
  130    HE1  TYR  18           1HE      TYR  18  -3.942  -4.008   6.107
  131    HE2  TYR  18           2HE      TYR  18  -2.105  -7.610   4.661
  132    HH   TYR  18           HH       TYR  18  -2.661  -6.820   7.133
  133    H    ASN  19           H        ASN  19  -2.500  -0.793   0.988
  134    HA   ASN  19           HA       ASN  19  -2.170  -0.839  -1.967
  135    HB2  ASN  19           2HB      ASN  19  -3.468   0.926  -0.327
  136    HB3  ASN  19           1HB      ASN  19  -1.898   1.714  -0.477
  137   HD21  ASN  19          1HD2      ASN  19  -1.909   3.183  -2.176
  138   HD22  ASN  19          2HD2      ASN  19  -2.740   2.978  -3.642
  139    H    CYS  20           H        CYS  20  -0.405   1.251  -2.312
  140    HA   CYS  20           HA       CYS  20   2.067   0.508  -0.810
  141    HB2  CYS  20           2HB      CYS  20   2.122  -0.797  -2.876
  142    HB3  CYS  20           1HB      CYS  20   1.810   0.651  -3.828
  143    H    VAL  21           H        VAL  21   3.185   2.310  -0.202
  144    HA   VAL  21           HA       VAL  21   2.780   4.833  -1.746
  145    HB   VAL  21           HB       VAL  21   2.695   4.746   1.272
  146   HG11  VAL  21          1HG1      VAL  21   1.859   6.973   1.077
  147   HG12  VAL  21          2HG1      VAL  21   1.562   6.786  -0.652
  148   HG13  VAL  21          3HG1      VAL  21   3.216   6.881  -0.046
  149   HG21  VAL  21          3HG2      VAL  21   0.824   3.408   0.524
  150   HG22  VAL  21          1HG2      VAL  21   0.424   4.580  -0.730
  151   HG23  VAL  21          2HG2      VAL  21   0.199   4.995   0.969
  152    H    TYR  22           H        TYR  22   4.469   6.422  -1.452
  153    HA   TYR  22           HA       TYR  22   7.105   5.157  -1.036
  154    HB2  TYR  22           2HB      TYR  22   6.486   7.043  -2.666
  155    HB3  TYR  22           1HB      TYR  22   6.533   8.113  -1.267
  156    HD1  TYR  22           1HD      TYR  22   8.585   5.461  -2.950
  157    HD2  TYR  22           2HD      TYR  22   8.567   9.109  -0.681
  158    HE1  TYR  22           1HE      TYR  22  11.052   5.608  -3.167
  159    HE2  TYR  22           2HE      TYR  22  11.032   9.254  -0.896
  160    HH   TYR  22           HH       TYR  22  12.918   7.910  -1.358
  161    H    ALA  23           H        ALA  23   8.193   5.021   0.882
  162    HA   ALA  23           HA       ALA  23   7.180   6.621   3.192
  163    HB1  ALA  23           1HB      ALA  23   7.379   4.009   3.164
  164    HB2  ALA  23           2HB      ALA  23   7.891   4.898   4.599
  165    HB3  ALA  23           3HB      ALA  23   9.092   4.314   3.447
  166    H    TRP  24           H        TRP  24   8.346   8.469   3.428
  167    HA   TRP  24           HA       TRP  24  10.964   8.973   2.478
  168    HB2  TRP  24           2HB      TRP  24  10.962  10.886   4.060
  169    HB3  TRP  24           1HB      TRP  24   9.455  10.776   3.149
  170    HD1  TRP  24           HD       TRP  24  10.738   9.267   6.510
  171    HE1  TRP  24           1HE      TRP  24   8.847   9.485   8.238
  172    HE3  TRP  24           3HE      TRP  24   7.168  11.517   3.633
  173    HZ2  TRP  24           2HZ      TRP  24   6.173  10.483   8.391
  174    HZ3  TRP  24           3HZ      TRP  24   4.960  12.092   4.598
  175    HH2  TRP  24           HH       TRP  24   4.457  11.580   6.971
  176    H    TYR  25           H        TYR  25  10.047   6.881   5.017
  177    HA   TYR  25           HA       TYR  25  12.121   7.464   6.939
  178    HB2  TYR  25           2HB      TYR  25  10.105   5.852   7.108
  179    HB3  TYR  25           1HB      TYR  25  11.165   4.667   6.354
  180    HD1  TYR  25           2HD      TYR  25  11.292   7.243   9.079
  181    HD2  TYR  25           1HD      TYR  25  12.423   3.302   7.798
  182    HE1  TYR  25           2HE      TYR  25  12.355   6.831  11.280
  183    HE2  TYR  25           1HE      TYR  25  13.486   2.892   9.997
  184    HH   TYR  25           HH       TYR  25  13.354   3.715  12.282
  185    H    ASN  26           H        ASN  26  12.228   5.194   4.147
  186    HA   ASN  26           HA       ASN  26  15.151   5.644   4.067
  187    HB2  ASN  26           2HB      ASN  26  15.391   3.054   3.699
  188    HB3  ASN  26           1HB      ASN  26  15.330   3.695   5.338
  189   HD21  ASN  26          1HD2      ASN  26  12.760   4.031   5.967
  190   HD22  ASN  26          2HD2      ASN  26  11.842   2.622   5.734
  191    H    GLN  27           H        GLN  27  13.463   6.712   2.299
  192    HA   GLN  27           HA       GLN  27  12.735   6.707   0.049
  193    HB2  GLN  27           2HB      GLN  27  15.296   5.195  -0.457
  194    HB3  GLN  27           1HB      GLN  27  14.550   6.459  -1.437
  195    HG2  GLN  27           2HG      GLN  27  15.892   6.788   1.258
  196    HG3  GLN  27           1HG      GLN  27  16.421   7.456  -0.286
  197   HE21  GLN  27          1HE2      GLN  27  14.371   7.998   2.456
  198   HE22  GLN  27          2HE2      GLN  27  13.639   9.423   1.895
  199    H    GLN  28           H        GLN  28  11.888   4.400   1.634
  200    HA   GLN  28           HA       GLN  28  11.701   2.347  -0.538
  201    HB2  GLN  28           2HB      GLN  28  12.391   0.820   0.979
  202    HB3  GLN  28           1HB      GLN  28  12.591   2.107   2.161
  203    HG2  GLN  28           2HG      GLN  28  10.276   1.865   2.886
  204    HG3  GLN  28           1HG      GLN  28   9.976   0.671   1.627
  205   HE21  GLN  28          1HE2      GLN  28   9.900   0.383   4.654
  206   HE22  GLN  28          2HE2      GLN  28  10.948  -0.911   4.986
  207    H    SER  29           H        SER  29   9.616   1.417  -0.853
  208    HA   SER  29           HA       SER  29   7.405   3.184  -0.029
  209    HB2  SER  29           2HB      SER  29   7.252   0.707  -1.743
  210    HB3  SER  29           1HB      SER  29   6.110   2.038  -1.675
  211    HG   SER  29           HG       SER  29   8.513   1.807  -3.005
  212    H    SER  30           H        SER  30   5.388   2.183   0.920
  213    HA   SER  30           HA       SER  30   5.885  -0.358   2.298
  214    HB2  SER  30           2HB      SER  30   6.435   1.623   3.796
  215    HB3  SER  30           1HB      SER  30   4.720   2.020   3.736
  216    HG   SER  30           HG       SER  30   4.260   0.052   4.680
  217    H    CYS  31           H        CYS  31   4.085  -1.694   2.361
  218    HA   CYS  31           HA       CYS  31   1.734  -0.903   0.889
  219    HB2  CYS  31           2HB      CYS  31   2.237  -3.318   2.650
  220    HB3  CYS  31           1HB      CYS  31   0.796  -3.097   1.668
  221    H    GLU  32           H        GLU  32  -0.200  -0.046   1.666
  222    HA   GLU  32           HA       GLU  32  -0.799  -0.265   4.538
  223    HB2  GLU  32           2HB      GLU  32  -0.643   1.962   5.123
  224    HB3  GLU  32           1HB      GLU  32   0.680   1.852   3.965
  225    HG2  GLU  32           2HG      GLU  32  -0.656   2.803   2.220
  226    HG3  GLU  32           1HG      GLU  32  -2.118   2.648   3.189
  227    H    ARG  33           H        ARG  33  -2.964  -0.064   5.015
  228    HA   ARG  33           HA       ARG  33  -4.863  -0.686   3.019
  229    HB2  ARG  33           2HB      ARG  33  -6.463  -0.543   4.734
  230    HB3  ARG  33           1HB      ARG  33  -4.974  -0.879   5.614
  231    HG2  ARG  33           2HG      ARG  33  -6.281   1.838   5.241
  232    HG3  ARG  33           1HG      ARG  33  -6.175   0.918   6.739
  233    HD2  ARG  33           2HD      ARG  33  -3.776   1.972   5.204
  234    HD3  ARG  33           1HD      ARG  33  -4.477   2.743   6.613
  235    HE   ARG  33           HE       ARG  33  -3.814   0.019   7.230
  236   HH11  ARG  33          1HH2      ARG  33  -2.513   3.154   6.609
  237   HH12  ARG  33          2HH2      ARG  33  -1.051   2.872   7.495
  238   HH21  ARG  33          2HH1      ARG  33  -1.894  -0.365   8.390
  239   HH22  ARG  33          1HH1      ARG  33  -0.700   0.886   8.500
  240    H    LYS  34           H        LYS  34  -6.763   0.699   2.343
  241    HA   LYS  34           HA       LYS  34  -6.431   3.557   2.529
  242    HB2  LYS  34           2HB      LYS  34  -5.402   2.111   0.233
  243    HB3  LYS  34           1HB      LYS  34  -6.628   3.275  -0.256
  244    HG2  LYS  34           2HG      LYS  34  -5.409   5.012   1.118
  245    HG3  LYS  34           1HG      LYS  34  -4.118   3.832   1.349
  246    HD2  LYS  34           2HD      LYS  34  -3.353   5.002  -0.522
  247    HD3  LYS  34           1HD      LYS  34  -4.196   3.649  -1.277
  248    HE2  LYS  34           2HE      LYS  34  -6.274   5.329  -1.098
  249    HE3  LYS  34           1HE      LYS  34  -4.985   6.530  -1.122
  250    HZ1  LYS  34           3HZ      LYS  34  -4.518   4.532  -3.072
  251    HZ2  LYS  34           1HZ      LYS  34  -4.695   6.205  -3.277
  252    HZ3  LYS  34           2HZ      LYS  34  -6.066   5.201  -3.282
  253    H    TRP  35           H        TRP  35  -8.563   2.407   3.522
  254    HA   TRP  35           HA       TRP  35 -10.904   2.345   3.409
  255    HB2  TRP  35           2HB      TRP  35 -11.064   3.966   0.950
  256    HB3  TRP  35           1HB      TRP  35 -11.780   4.258   2.533
  257    HD1  TRP  35           HD       TRP  35  -9.240   4.354   4.328
  258    HE1  TRP  35           1HE      TRP  35  -7.545   6.284   4.113
  259    HE3  TRP  35           3HE      TRP  35 -10.331   5.956  -0.388
  260    HZ2  TRP  35           2HZ      TRP  35  -6.757   8.248   2.186
  261    HZ3  TRP  35           3HZ      TRP  35  -9.096   7.852  -1.394
  262    HH2  TRP  35           HH       TRP  35  -7.309   9.000  -0.114
  263    H    LYS  36           H        LYS  36 -10.270   2.668  -0.070
  264    HA   LYS  36           HA       LYS  36 -10.451   1.144  -1.775
  265    HB2  LYS  36           2HB      LYS  36 -10.462  -0.657   0.513
  266    HB3  LYS  36           1HB      LYS  36 -11.583  -1.213  -0.724
  267    HG2  LYS  36           2HG      LYS  36  -9.447  -2.152  -1.251
  268    HG3  LYS  36           1HG      LYS  36  -9.715  -0.851  -2.409
  269    HD2  LYS  36           2HD      LYS  36  -8.466   0.633  -0.652
  270    HD3  LYS  36           1HD      LYS  36  -7.885  -0.906  -0.018
  271    HE2  LYS  36           2HE      LYS  36  -6.233  -0.265  -1.584
  272    HE3  LYS  36           1HE      LYS  36  -7.218  -1.447  -2.447
  273    HZ1  LYS  36           3HZ      LYS  36  -8.367   0.264  -3.574
  274    HZ2  LYS  36           1HZ      LYS  36  -6.720   0.651  -3.692
  275    HZ3  LYS  36           2HZ      LYS  36  -7.707   1.474  -2.582
  276    H    TYR  37           H        TYR  37 -12.515   2.971  -0.695
  277    HA   TYR  37           HA       TYR  37 -14.983   1.491  -1.682
  278    HB2  TYR  37           2HB      TYR  37 -14.629   3.956   0.041
  279    HB3  TYR  37           1HB      TYR  37 -16.181   3.505  -0.665
  280    HD1  TYR  37           1HD      TYR  37 -16.935   1.013  -0.272
  281    HD2  TYR  37           2HD      TYR  37 -14.026   3.074   2.125
  282    HE1  TYR  37           1HE      TYR  37 -17.319  -0.594   1.576
  283    HE2  TYR  37           2HE      TYR  37 -14.408   1.465   3.971
  284    HH   TYR  37           HH       TYR  37 -16.848  -1.116   3.685
  285    H    LEU  38           H        LEU  38 -13.389   2.083  -3.730
  286    HA   LEU  38           HA       LEU  38 -14.863   3.967  -5.273
  287    HB2  LEU  38           2HB      LEU  38 -12.651   5.384  -5.646
  288    HB3  LEU  38           1HB      LEU  38 -13.732   5.742  -4.316
  289    HG   LEU  38           HG       LEU  38 -12.038   3.742  -3.300
  290   HD11  LEU  38          1HD1      LEU  38 -10.301   3.838  -4.814
  291   HD12  LEU  38          2HD1      LEU  38  -9.794   5.089  -3.684
  292   HD13  LEU  38          3HD1      LEU  38 -10.576   5.537  -5.198
  293   HD21  LEU  38          3HD2      LEU  38 -12.028   5.229  -1.620
  294   HD22  LEU  38          1HD2      LEU  38 -12.826   6.400  -2.667
  295   HD23  LEU  38          2HD2      LEU  38 -11.069   6.359  -2.572
  296    H    PHE  39           H        PHE  39 -12.496   4.482  -7.078
  297    HA   PHE  39           HA       PHE  39 -12.700   2.208  -8.730
  298    HB2  PHE  39           2HB      PHE  39 -11.151   4.673  -8.689
  299    HB3  PHE  39           1HB      PHE  39 -10.207   3.335  -9.337
  300    HD1  PHE  39           2HD      PHE  39 -11.439   1.807 -11.082
  301    HD2  PHE  39           1HD      PHE  39 -12.632   5.817 -10.105
  302    HE1  PHE  39           2HE      PHE  39 -12.659   1.967 -13.233
  303    HE2  PHE  39           1HE      PHE  39 -13.853   5.976 -12.259
  304    HZ   PHE  39           HZ       PHE  39 -13.865   4.051 -13.822
  305    H    THR  40           H        THR  40 -10.614   2.838  -6.066
  306    HA   THR  40           HA       THR  40  -8.716   1.666  -5.249
  307    HB   THR  40           HB       THR  40 -10.434   0.457  -4.130
  308    HG1  THR  40           1HG      THR  40  -8.690  -0.763  -3.900
  309   HG21  THR  40          3HG2      THR  40 -10.897  -0.952  -6.774
  310   HG22  THR  40          1HG2      THR  40 -12.007   0.123  -5.934
  311   HG23  THR  40          2HG2      THR  40 -11.623  -1.447  -5.249
  312    H    GLY  41           H        GLY  41  -9.280  -1.359  -6.549
  313    HA2  GLY  41           2HA      GLY  41  -8.536  -2.118  -8.825
  314    HA3  GLY  41           1HA      GLY  41  -7.247  -0.917  -8.709
  315    H    GLU  42           H        GLU  42  -7.108  -1.643  -5.727
  316    HA   GLU  42           HA       GLU  42  -5.291  -3.978  -6.097
  317    HB2  GLU  42           2HB      GLU  42  -4.300  -1.956  -5.101
  318    HB3  GLU  42           1HB      GLU  42  -5.511  -1.976  -3.827
  319    HG2  GLU  42           2HG      GLU  42  -4.001  -4.510  -4.196
  320    HG3  GLU  42           1HG      GLU  42  -3.061  -3.149  -3.591
  321    H    CYS  43           H        CYS  43  -6.748  -5.697  -5.964
  322    HA   CYS  43           HA       CYS  43  -8.435  -7.070  -5.044
  323    HB2  CYS  43           2HB      CYS  43  -6.310  -7.693  -3.936
  324    HB3  CYS  43           1HB      CYS  43  -6.656  -6.531  -2.661
  325    HXT  CYS  43           2HT      CYS  43  -8.470  -6.411  -2.004
  Start of MODEL   10
    1    H1   CYS   1           1H       CYS   1   5.601 -10.382  -0.273
    2    H2   CYS   1           2H       CYS   1   4.159 -11.010   0.322
    3    H3   CYS   1           3H       CYS   1   4.469 -11.037  -1.330
    4    HA   CYS   1           HA       CYS   1   4.414  -8.619  -1.414
    5    HB2  CYS   1           2HB      CYS   1   2.020  -8.381  -1.103
    6    HB3  CYS   1           1HB      CYS   1   2.322 -10.070  -1.714
    7    H    GLY   2           H        GLY   2   4.231  -6.625  -0.249
    8    HA2  GLY   2           2HA      GLY   2   5.050  -6.754   2.552
    9    HA3  GLY   2           1HA      GLY   2   4.713  -5.279   1.639
   10    H    SER   3           H        SER   3   3.698  -6.682   4.311
   11    HA   SER   3           HA       SER   3   0.778  -6.362   3.780
   12    HB2  SER   3           2HB      SER   3   0.437  -7.565   5.867
   13    HB3  SER   3           1HB      SER   3   1.570  -8.472   4.869
   14    HG   SER   3           HG       SER   3   2.073  -8.006   7.217
   15    H    LYS   4           H        LYS   4   0.440  -5.934   6.759
   16    HA   LYS   4           HA       LYS   4   0.129  -3.149   6.792
   17    HB2  LYS   4           2HB      LYS   4  -0.459  -5.116   8.552
   18    HB3  LYS   4           1HB      LYS   4   0.955  -4.441   9.354
   19    HG2  LYS   4           2HG      LYS   4  -0.060  -2.224   9.385
   20    HG3  LYS   4           1HG      LYS   4  -1.438  -2.811   8.452
   21    HD2  LYS   4           2HD      LYS   4  -1.566  -4.575  10.472
   22    HD3  LYS   4           1HD      LYS   4  -0.769  -3.259  11.331
   23    HE2  LYS   4           2HE      LYS   4  -3.467  -3.263   9.991
   24    HE3  LYS   4           1HE      LYS   4  -3.061  -2.828  11.652
   25    HZ1  LYS   4           3HZ      LYS   4  -1.686  -1.246   9.692
   26    HZ2  LYS   4           1HZ      LYS   4  -2.564  -0.758  11.059
   27    HZ3  LYS   4           2HZ      LYS   4  -3.375  -1.087   9.605
   28    H    ARG   5           H        ARG   5   1.639  -1.574   6.628
   29    HA   ARG   5           HA       ARG   5   3.722  -0.531   6.695
   30    HB2  ARG   5           2HB      ARG   5   3.133  -1.618   9.311
   31    HB3  ARG   5           1HB      ARG   5   4.872  -1.692   9.031
   32    HG2  ARG   5           2HG      ARG   5   4.420   0.463   9.998
   33    HG3  ARG   5           1HG      ARG   5   4.741   0.739   8.286
   34    HD2  ARG   5           2HD      ARG   5   2.777   2.015   8.834
   35    HD3  ARG   5           1HD      ARG   5   2.235   0.620   7.905
   36    HE   ARG   5           HE       ARG   5   1.278  -0.307   9.898
   37   HH11  ARG   5          1HH2      ARG   5   3.022   2.632  10.404
   38   HH12  ARG   5          2HH2      ARG   5   2.354   2.908  11.977
   39   HH21  ARG   5          2HH1      ARG   5   0.406   0.043  11.952
   40   HH22  ARG   5          1HH1      ARG   5   0.878   1.446  12.853
   41    H    ALA   6           H        ALA   6   4.538  -1.611   4.861
   42    HA   ALA   6           HA       ALA   6   6.952  -3.128   5.278
   43    HB1  ALA   6           1HB      ALA   6   4.606  -4.706   4.181
   44    HB2  ALA   6           2HB      ALA   6   5.278  -4.903   5.796
   45    HB3  ALA   6           3HB      ALA   6   6.255  -5.289   4.384
   46    H    TRP   7           H        TRP   7   8.190  -2.927   3.511
   47    HA   TRP   7           HA       TRP   7   7.750  -1.217   1.411
   48    HB2  TRP   7           2HB      TRP   7   9.943  -1.857   1.415
   49    HB3  TRP   7           1HB      TRP   7   9.564  -3.503   1.921
   50    HD1  TRP   7           HD       TRP   7   9.223  -1.301  -1.213
   51    HE1  TRP   7           1HE      TRP   7   9.560  -2.791  -3.305
   52    HE3  TRP   7           3HE      TRP   7   9.753  -5.846   1.029
   53    HZ2  TRP   7           2HZ      TRP   7   9.990  -5.549  -3.923
   54    HZ3  TRP   7           3HZ      TRP   7  10.123  -7.889  -0.325
   55    HH2  TRP   7           HH       TRP   7  10.242  -7.745  -2.799
   56    H    CYS   8           H        CYS   8   7.109  -1.370  -0.727
   57    HA   CYS   8           HA       CYS   8   5.696  -3.881  -1.544
   58    HB2  CYS   8           2HB      CYS   8   4.491  -1.850  -3.014
   59    HB3  CYS   8           1HB      CYS   8   3.795  -2.683  -1.645
   60    H    LYS   9           H        LYS   9   5.805  -4.288  -3.817
   61    HA   LYS   9           HA       LYS   9   8.267  -3.280  -5.081
   62    HB2  LYS   9           2HB      LYS   9   7.693  -5.680  -5.118
   63    HB3  LYS   9           1HB      LYS   9   6.198  -5.319  -5.966
   64    HG2  LYS   9           2HG      LYS   9   7.503  -4.429  -7.868
   65    HG3  LYS   9           1HG      LYS   9   8.995  -4.849  -7.020
   66    HD2  LYS   9           2HD      LYS   9   8.257  -7.207  -6.899
   67    HD3  LYS   9           1HD      LYS   9   6.797  -6.787  -7.786
   68    HE2  LYS   9           2HE      LYS   9   8.178  -6.069  -9.713
   69    HE3  LYS   9           1HE      LYS   9   9.632  -6.517  -8.818
   70    HZ1  LYS   9           3HZ      LYS   9   7.551  -8.542  -9.013
   71    HZ2  LYS   9           1HZ      LYS   9   9.238  -8.711  -9.078
   72    HZ3  LYS   9           2HZ      LYS   9   8.384  -8.183 -10.449
   73    H    GLU  10           H        GLU  10   4.773  -3.062  -5.423
   74    HA   GLU  10           HA       GLU  10   4.932  -0.616  -6.976
   75    HB2  GLU  10           2HB      GLU  10   4.065  -3.179  -8.331
   76    HB3  GLU  10           1HB      GLU  10   3.497  -1.612  -8.887
   77    HG2  GLU  10           2HG      GLU  10   6.394  -2.513  -8.737
   78    HG3  GLU  10           1HG      GLU  10   5.436  -2.305 -10.193
   79    H    LYS  11           H        LYS  11   2.433  -0.348  -7.937
   80    HA   LYS  11           HA       LYS  11   0.768   0.048  -5.655
   81    HB2  LYS  11           2HB      LYS  11   0.481   1.306  -7.725
   82    HB3  LYS  11           1HB      LYS  11   0.094  -0.171  -8.603
   83    HG2  LYS  11           2HG      LYS  11  -1.900  -0.470  -7.086
   84    HG3  LYS  11           1HG      LYS  11  -1.547   1.119  -6.402
   85    HD2  LYS  11           2HD      LYS  11  -1.813   2.164  -8.587
   86    HD3  LYS  11           1HD      LYS  11  -2.032   0.588  -9.347
   87    HE2  LYS  11           2HE      LYS  11  -4.042   0.240  -7.861
   88    HE3  LYS  11           1HE      LYS  11  -3.871   1.918  -7.340
   89    HZ1  LYS  11           3HZ      LYS  11  -5.391   1.958  -9.106
   90    HZ2  LYS  11           1HZ      LYS  11  -4.468   0.894 -10.051
   91    HZ3  LYS  11           2HZ      LYS  11  -3.927   2.485  -9.791
   92    H    LYS  12           H        LYS  12   0.430  -2.404  -8.266
   93    HA   LYS  12           HA       LYS  12  -1.684  -3.769  -6.749
   94    HB2  LYS  12           2HB      LYS  12  -1.585  -3.541  -9.298
   95    HB3  LYS  12           1HB      LYS  12  -0.303  -4.751  -9.260
   96    HG2  LYS  12           2HG      LYS  12  -1.880  -6.371  -9.208
   97    HG3  LYS  12           1HG      LYS  12  -2.399  -5.773  -7.635
   98    HD2  LYS  12           2HD      LYS  12  -4.290  -5.824  -9.204
   99    HD3  LYS  12           1HD      LYS  12  -3.916  -4.167  -8.735
  100    HE2  LYS  12           2HE      LYS  12  -4.159  -5.093 -11.352
  101    HE3  LYS  12           1HE      LYS  12  -3.398  -3.578 -10.866
  102    HZ1  LYS  12           3HZ      LYS  12  -1.288  -4.583 -10.841
  103    HZ2  LYS  12           1HZ      LYS  12  -2.017  -5.101 -12.282
  104    HZ3  LYS  12           2HZ      LYS  12  -1.934  -6.149 -10.948
  105    H    ASP  13           H        ASP  13   1.552  -3.687  -6.391
  106    HA   ASP  13           HA       ASP  13   1.979  -6.566  -6.020
  107    HB2  ASP  13           2HB      ASP  13   3.626  -4.103  -6.118
  108    HB3  ASP  13           1HB      ASP  13   4.278  -5.508  -5.302
  109    H    CYS  14           H        CYS  14   0.538  -4.301  -4.054
  110    HA   CYS  14           HA       CYS  14   2.000  -5.006  -1.603
  111    HB2  CYS  14           2HB      CYS  14  -0.245  -3.192  -2.345
  112    HB3  CYS  14           1HB      CYS  14  -0.287  -3.842  -0.724
  113    H    CYS  15           H        CYS  15   0.901  -6.261   0.134
  114    HA   CYS  15           HA       CYS  15  -0.189  -8.658  -0.673
  115    HB2  CYS  15           2HB      CYS  15  -0.707  -7.092   1.865
  116    HB3  CYS  15           1HB      CYS  15  -1.077  -8.788   1.642
  117    H    CYS  16           H        CYS  16  -2.497  -9.429  -0.297
  118    HA   CYS  16           HA       CYS  16  -4.248  -7.918  -1.939
  119    HB2  CYS  16           2HB      CYS  16  -4.349 -10.407  -0.388
  120    HB3  CYS  16           1HB      CYS  16  -5.898  -9.595  -0.544
  121    H    GLY  17           H        GLY  17  -5.629  -6.297  -1.479
  122    HA2  GLY  17           2HA      GLY  17  -7.106  -4.965  -0.189
  123    HA3  GLY  17           1HA      GLY  17  -6.709  -5.943   1.226
  124    H    TYR  18           H        TYR  18  -3.879  -5.057  -0.405
  125    HA   TYR  18           HA       TYR  18  -3.562  -2.700   1.481
  126    HB2  TYR  18           2HB      TYR  18  -1.624  -4.867   0.692
  127    HB3  TYR  18           1HB      TYR  18  -1.085  -3.335   1.369
  128    HD1  TYR  18           2HD      TYR  18  -3.105  -6.367   2.018
  129    HD2  TYR  18           1HD      TYR  18  -1.380  -2.810   3.687
  130    HE1  TYR  18           2HE      TYR  18  -3.628  -7.184   4.300
  131    HE2  TYR  18           1HE      TYR  18  -1.911  -3.614   5.964
  132    HH   TYR  18           HH       TYR  18  -2.997  -6.867   6.547
  133    H    ASN  19           H        ASN  19  -2.425  -0.902   0.729
  134    HA   ASN  19           HA       ASN  19  -1.925  -0.812  -2.227
  135    HB2  ASN  19           2HB      ASN  19  -3.830   0.589  -1.712
  136    HB3  ASN  19           1HB      ASN  19  -2.987   1.326  -0.352
  137   HD21  ASN  19          1HD2      ASN  19  -2.743   3.488  -1.065
  138   HD22  ASN  19          2HD2      ASN  19  -1.969   3.918  -2.516
  139    H    CYS  20           H        CYS  20  -0.093   0.618  -2.839
  140    HA   CYS  20           HA       CYS  20   2.057   0.478  -0.807
  141    HB2  CYS  20           2HB      CYS  20   2.328  -0.274  -3.223
  142    HB3  CYS  20           1HB      CYS  20   2.280   1.433  -3.666
  143    H    VAL  21           H        VAL  21   2.858   2.200   0.247
  144    HA   VAL  21           HA       VAL  21   2.043   4.946  -0.634
  145    HB   VAL  21           HB       VAL  21   1.841   3.589   1.992
  146   HG11  VAL  21          1HG1      VAL  21   3.037   6.364   1.750
  147   HG12  VAL  21          2HG1      VAL  21   3.695   4.981   2.625
  148   HG13  VAL  21          3HG1      VAL  21   2.240   5.783   3.213
  149   HG21  VAL  21          3HG2      VAL  21   0.606   6.079   0.770
  150   HG22  VAL  21          1HG2      VAL  21   0.115   5.363   2.303
  151   HG23  VAL  21          2HG2      VAL  21  -0.109   4.468   0.799
  152    H    TYR  22           H        TYR  22   3.714   6.360  -0.980
  153    HA   TYR  22           HA       TYR  22   6.426   5.341  -0.994
  154    HB2  TYR  22           2HB      TYR  22   5.360   7.408  -2.196
  155    HB3  TYR  22           1HB      TYR  22   5.796   8.275  -0.727
  156    HD1  TYR  22           2HD      TYR  22   8.344   7.512   0.118
  157    HD2  TYR  22           1HD      TYR  22   6.891   7.594  -3.920
  158    HE1  TYR  22           2HE      TYR  22  10.673   7.715  -0.703
  159    HE2  TYR  22           1HE      TYR  22   9.220   7.808  -4.751
  160    HH   TYR  22           HH       TYR  22  11.929   7.246  -2.798
  161    H    ALA  23           H        ALA  23   7.828   5.075   0.661
  162    HA   ALA  23           HA       ALA  23   7.246   6.467   3.247
  163    HB1  ALA  23           1HB      ALA  23   7.274   3.827   2.948
  164    HB2  ALA  23           2HB      ALA  23   7.961   4.575   4.387
  165    HB3  ALA  23           3HB      ALA  23   9.018   4.052   3.078
  166    H    TRP  24           H        TRP  24   8.596   8.233   3.358
  167    HA   TRP  24           HA       TRP  24  11.015   8.575   1.951
  168    HB2  TRP  24           2HB      TRP  24  11.317  10.503   3.191
  169    HB3  TRP  24           1HB      TRP  24   9.604  10.225   3.484
  170    HD1  TRP  24           HD       TRP  24   8.933   9.089   5.847
  171    HE1  TRP  24           1HE      TRP  24  10.141   9.112   8.126
  172    HE3  TRP  24           3HE      TRP  24  13.591  10.564   4.361
  173    HZ2  TRP  24           2HZ      TRP  24  12.741   9.680   9.177
  174    HZ3  TRP  24           3HZ      TRP  24  15.411  10.840   6.019
  175    HH2  TRP  24           HH       TRP  24  14.993  10.400   8.423
  176    H    TYR  25           H        TYR  25  10.394   7.095   5.156
  177    HA   TYR  25           HA       TYR  25  13.260   6.744   5.678
  178    HB2  TYR  25           2HB      TYR  25  12.624   5.614   7.629
  179    HB3  TYR  25           1HB      TYR  25  11.289   6.728   7.368
  180    HD1  TYR  25           1HD      TYR  25  12.369   3.219   7.271
  181    HD2  TYR  25           2HD      TYR  25   9.095   5.920   6.622
  182    HE1  TYR  25           1HE      TYR  25  10.796   1.303   7.241
  183    HE2  TYR  25           2HE      TYR  25   7.520   3.999   6.600
  184    HH   TYR  25           HH       TYR  25   8.173   1.087   6.024
  185    H    ASN  26           H        ASN  26  14.554   4.963   5.284
  186    HA   ASN  26           HA       ASN  26  15.248   2.958   4.272
  187    HB2  ASN  26           2HB      ASN  26  12.810   2.288   5.292
  188    HB3  ASN  26           1HB      ASN  26  12.489   2.078   3.574
  189   HD21  ASN  26          1HD2      ASN  26  14.804   1.100   6.141
  190   HD22  ASN  26          2HD2      ASN  26  15.228  -0.373   5.409
  191    H    GLN  27           H        GLN  27  13.460   5.415   2.890
  192    HA   GLN  27           HA       GLN  27  13.197   6.174   0.715
  193    HB2  GLN  27           2HB      GLN  27  15.784   5.087   0.895
  194    HB3  GLN  27           1HB      GLN  27  15.130   4.420  -0.597
  195    HG2  GLN  27           2HG      GLN  27  15.664   7.287   0.126
  196    HG3  GLN  27           1HG      GLN  27  16.021   6.426  -1.367
  197   HE21  GLN  27          1HE2      GLN  27  13.809   8.586   0.101
  198   HE22  GLN  27          2HE2      GLN  27  12.577   8.491  -1.061
  199    H    GLN  28           H        GLN  28  11.983   3.500   1.689
  200    HA   GLN  28           HA       GLN  28  11.268   2.454  -1.026
  201    HB2  GLN  28           2HB      GLN  28  11.232   1.096   1.686
  202    HB3  GLN  28           1HB      GLN  28  10.526   0.397   0.228
  203    HG2  GLN  28           2HG      GLN  28  12.699   0.428  -0.884
  204    HG3  GLN  28           1HG      GLN  28  13.425   1.225   0.512
  205   HE21  GLN  28          1HE2      GLN  28  13.961  -1.544  -0.670
  206   HE22  GLN  28          2HE2      GLN  28  13.756  -2.608   0.635
  207    H    SER  29           H        SER  29   8.950   1.219  -0.520
  208    HA   SER  29           HA       SER  29   7.186   3.356   0.620
  209    HB2  SER  29           2HB      SER  29   6.660   1.497  -1.708
  210    HB3  SER  29           1HB      SER  29   5.551   2.706  -1.082
  211    HG   SER  29           HG       SER  29   6.545   4.057  -2.336
  212    H    SER  30           H        SER  30   5.625   2.601   2.068
  213    HA   SER  30           HA       SER  30   5.780  -0.245   2.760
  214    HB2  SER  30           2HB      SER  30   4.978   0.374   4.941
  215    HB3  SER  30           1HB      SER  30   6.259   1.500   4.500
  216    HG   SER  30           HG       SER  30   4.616   2.777   5.150
  217    H    CYS  31           H        CYS  31   3.978  -1.572   2.763
  218    HA   CYS  31           HA       CYS  31   1.690  -0.708   1.226
  219    HB2  CYS  31           2HB      CYS  31   2.220  -3.205   2.837
  220    HB3  CYS  31           1HB      CYS  31   0.737  -2.949   1.937
  221    H    GLU  32           H        GLU  32  -0.473  -0.482   1.983
  222    HA   GLU  32           HA       GLU  32  -0.924  -0.273   4.892
  223    HB2  GLU  32           2HB      GLU  32  -2.040   2.056   4.329
  224    HB3  GLU  32           1HB      GLU  32  -0.314   1.959   4.640
  225    HG2  GLU  32           2HG      GLU  32  -0.328   3.159   2.668
  226    HG3  GLU  32           1HG      GLU  32  -0.172   1.518   2.052
  227    H    ARG  33           H        ARG  33  -3.417   1.073   4.551
  228    HA   ARG  33           HA       ARG  33  -4.969  -0.456   2.595
  229    HB2  ARG  33           2HB      ARG  33  -5.268  -2.188   4.046
  230    HB3  ARG  33           1HB      ARG  33  -4.743  -1.242   5.431
  231    HG2  ARG  33           2HG      ARG  33  -7.421  -0.642   4.194
  232    HG3  ARG  33           1HG      ARG  33  -7.256  -2.046   5.241
  233    HD2  ARG  33           2HD      ARG  33  -5.991   0.362   6.353
  234    HD3  ARG  33           1HD      ARG  33  -7.729   0.533   6.117
  235    HE   ARG  33           HE       ARG  33  -7.482  -1.938   7.338
  236   HH11  ARG  33          1HH2      ARG  33  -6.416   1.275   7.944
  237   HH12  ARG  33          2HH2      ARG  33  -6.306   1.063   9.659
  238   HH21  ARG  33          2HH1      ARG  33  -7.333  -2.255   9.571
  239   HH22  ARG  33          1HH1      ARG  33  -6.824  -0.944  10.584
  240    H    LYS  34           H        LYS  34  -6.531   0.831   1.917
  241    HA   LYS  34           HA       LYS  34  -7.571   2.977   3.642
  242    HB2  LYS  34           2HB      LYS  34  -7.014   3.132   0.669
  243    HB3  LYS  34           1HB      LYS  34  -7.578   4.454   1.691
  244    HG2  LYS  34           2HG      LYS  34  -5.018   3.021   2.367
  245    HG3  LYS  34           1HG      LYS  34  -5.020   4.276   1.132
  246    HD2  LYS  34           2HD      LYS  34  -5.767   5.928   2.681
  247    HD3  LYS  34           1HD      LYS  34  -6.155   4.714   3.900
  248    HE2  LYS  34           2HE      LYS  34  -3.816   4.175   4.198
  249    HE3  LYS  34           1HE      LYS  34  -3.361   5.199   2.837
  250    HZ1  LYS  34           3HZ      LYS  34  -3.123   6.812   4.321
  251    HZ2  LYS  34           1HZ      LYS  34  -3.875   5.917   5.551
  252    HZ3  LYS  34           2HZ      LYS  34  -4.814   6.834   4.471
  253    H    TRP  35           H        TRP  35  -8.490   0.230   2.882
  254    HA   TRP  35           HA       TRP  35 -11.090   0.952   1.581
  255    HB2  TRP  35           2HB      TRP  35 -11.130  -1.464   0.887
  256    HB3  TRP  35           1HB      TRP  35  -9.776  -0.573   0.188
  257    HD1  TRP  35           HD       TRP  35  -7.433  -0.709   1.765
  258    HE1  TRP  35           1HE      TRP  35  -6.446  -2.782   2.934
  259    HE3  TRP  35           3HE      TRP  35 -11.539  -3.729   1.828
  260    HZ2  TRP  35           2HZ      TRP  35  -7.287  -5.387   3.783
  261    HZ3  TRP  35           3HZ      TRP  35 -11.429  -5.996   2.827
  262    HH2  TRP  35           HH       TRP  35  -9.307  -6.829   3.799
  263    H    LYS  36           H        LYS  36 -12.504  -1.362   2.274
  264    HA   LYS  36           HA       LYS  36 -12.198  -2.119   5.035
  265    HB2  LYS  36           2HB      LYS  36 -13.020   0.325   5.179
  266    HB3  LYS  36           1HB      LYS  36 -14.560  -0.290   4.570
  267    HG2  LYS  36           2HG      LYS  36 -14.137  -2.104   6.519
  268    HG3  LYS  36           1HG      LYS  36 -13.232  -0.760   7.203
  269    HD2  LYS  36           2HD      LYS  36 -15.234   0.692   6.968
  270    HD3  LYS  36           1HD      LYS  36 -16.137  -0.685   6.338
  271    HE2  LYS  36           2HE      LYS  36 -15.347  -1.870   8.549
  272    HE3  LYS  36           1HE      LYS  36 -15.104  -0.221   9.125
  273    HZ1  LYS  36           3HZ      LYS  36 -17.637  -1.106   7.876
  274    HZ2  LYS  36           1HZ      LYS  36 -17.360   0.286   8.803
  275    HZ3  LYS  36           2HZ      LYS  36 -17.357  -1.242   9.545
  276    H    TYR  37           H        TYR  37 -12.638  -3.406   2.555
  277    HA   TYR  37           HA       TYR  37 -13.874  -5.513   2.333
  278    HB2  TYR  37           2HB      TYR  37 -15.984  -4.014   3.859
  279    HB3  TYR  37           1HB      TYR  37 -16.503  -5.259   2.740
  280    HD1  TYR  37           2HD      TYR  37 -14.240  -4.647   5.657
  281    HD2  TYR  37           1HD      TYR  37 -16.314  -7.547   3.256
  282    HE1  TYR  37           2HE      TYR  37 -13.660  -6.422   7.291
  283    HE2  TYR  37           1HE      TYR  37 -15.731  -9.314   4.889
  284    HH   TYR  37           HH       TYR  37 -14.834  -9.762   6.861
  285    H    LEU  38           H        LEU  38 -13.297  -3.251   0.569
  286    HA   LEU  38           HA       LEU  38 -15.539  -2.586  -1.023
  287    HB2  LEU  38           2HB      LEU  38 -12.603  -2.820  -1.719
  288    HB3  LEU  38           1HB      LEU  38 -13.809  -2.164  -2.824
  289    HG   LEU  38           HG       LEU  38 -13.394  -1.075  -0.029
  290   HD11  LEU  38          1HD1      LEU  38 -11.900   0.543  -0.866
  291   HD12  LEU  38          2HD1      LEU  38 -12.340   0.222  -2.541
  292   HD13  LEU  38          3HD1      LEU  38 -11.357  -0.938  -1.650
  293   HD21  LEU  38          3HD2      LEU  38 -14.722   0.028  -2.532
  294   HD22  LEU  38          1HD2      LEU  38 -14.533   0.911  -1.018
  295   HD23  LEU  38          2HD2      LEU  38 -15.552  -0.522  -1.079
  296    H    PHE  39           H        PHE  39 -13.181  -5.194  -1.260
  297    HA   PHE  39           HA       PHE  39 -14.350  -7.433  -1.850
  298    HB2  PHE  39           2HB      PHE  39 -15.268  -5.593  -3.947
  299    HB3  PHE  39           1HB      PHE  39 -14.589  -7.074  -4.593
  300    HD1  PHE  39           2HD      PHE  39 -16.800  -6.121  -1.675
  301    HD2  PHE  39           1HD      PHE  39 -16.083  -8.796  -4.963
  302    HE1  PHE  39           2HE      PHE  39 -18.860  -7.368  -1.112
  303    HE2  PHE  39           1HE      PHE  39 -18.145 -10.047  -4.388
  304    HZ   PHE  39           HZ       PHE  39 -19.533  -9.331  -2.464
  305    H    THR  40           H        THR  40 -13.383  -8.539  -4.152
  306    HA   THR  40           HA       THR  40 -10.505  -8.439  -3.701
  307    HB   THR  40           HB       THR  40 -10.406 -10.198  -5.393
  308    HG1  THR  40           1HG      THR  40 -12.118 -10.635  -6.671
  309   HG21  THR  40          3HG2      THR  40 -12.887 -10.566  -3.696
  310   HG22  THR  40          1HG2      THR  40 -11.240 -10.741  -3.091
  311   HG23  THR  40          2HG2      THR  40 -11.844 -11.836  -4.334
  312    H    GLY  41           H        GLY  41 -12.531  -6.440  -5.376
  313    HA2  GLY  41           2HA      GLY  41 -11.706  -5.945  -7.912
  314    HA3  GLY  41           1HA      GLY  41 -11.902  -4.617  -6.770
  315    H    GLU  42           H        GLU  42  -9.972  -4.000  -5.488
  316    HA   GLU  42           HA       GLU  42  -7.462  -4.529  -7.029
  317    HB2  GLU  42           2HB      GLU  42  -6.692  -2.413  -5.747
  318    HB3  GLU  42           1HB      GLU  42  -7.851  -2.201  -7.058
  319    HG2  GLU  42           2HG      GLU  42  -8.762  -2.591  -4.204
  320    HG3  GLU  42           1HG      GLU  42  -8.360  -0.995  -4.835
  321    H    CYS  43           H        CYS  43  -6.121  -5.961  -6.022
  322    HA   CYS  43           HA       CYS  43  -6.387  -6.380  -3.111
  323    HB2  CYS  43           2HB      CYS  43  -5.455  -7.922  -5.394
  324    HB3  CYS  43           1HB      CYS  43  -4.288  -7.978  -4.088
  325    HXT  CYS  43           2HT      CYS  43  -2.775  -5.450  -2.845
  Start of MODEL   11
    1    H1   CYS   1           1H       CYS   1   5.423  -9.633  -1.370
    2    H2   CYS   1           2H       CYS   1   4.228 -10.706  -0.870
    3    H3   CYS   1           3H       CYS   1   4.219 -10.111  -2.443
    4    HA   CYS   1           HA       CYS   1   3.791  -7.896  -1.656
    5    HB2  CYS   1           2HB      CYS   1   1.523  -8.227  -1.296
    6    HB3  CYS   1           1HB      CYS   1   1.977  -9.768  -2.010
    7    H    GLY   2           H        GLY   2   4.291  -6.475  -0.087
    8    HA2  GLY   2           2HA      GLY   2   5.453  -7.338   2.386
    9    HA3  GLY   2           1HA      GLY   2   5.058  -5.683   1.952
   10    H    SER   3           H        SER   3   2.336  -5.639   1.858
   11    HA   SER   3           HA       SER   3   0.332  -5.805   3.116
   12    HB2  SER   3           2HB      SER   3   1.591  -8.138   3.878
   13    HB3  SER   3           1HB      SER   3   1.452  -7.287   5.406
   14    HG   SER   3           HG       SER   3  -0.516  -8.276   3.705
   15    H    LYS   4           H        LYS   4  -0.385  -5.111   5.461
   16    HA   LYS   4           HA       LYS   4   0.253  -2.592   6.118
   17    HB2  LYS   4           2HB      LYS   4  -1.189  -4.307   7.469
   18    HB3  LYS   4           1HB      LYS   4   0.273  -4.526   8.432
   19    HG2  LYS   4           2HG      LYS   4   0.335  -2.142   8.946
   20    HG3  LYS   4           1HG      LYS   4  -1.043  -1.843   7.893
   21    HD2  LYS   4           2HD      LYS   4  -2.502  -3.138   9.311
   22    HD3  LYS   4           1HD      LYS   4  -1.140  -3.706  10.277
   23    HE2  LYS   4           2HE      LYS   4  -2.389  -1.873  11.402
   24    HE3  LYS   4           1HE      LYS   4  -0.713  -1.436  11.076
   25    HZ1  LYS   4           3HZ      LYS   4  -1.420   0.275   9.898
   26    HZ2  LYS   4           1HZ      LYS   4  -3.031  -0.133  10.231
   27    HZ3  LYS   4           2HZ      LYS   4  -2.267  -0.755   8.846
   28    H    ARG   5           H        ARG   5   1.997  -1.409   6.651
   29    HA   ARG   5           HA       ARG   5   4.256  -0.887   7.038
   30    HB2  ARG   5           2HB      ARG   5   4.079  -3.161   9.033
   31    HB3  ARG   5           1HB      ARG   5   5.235  -1.834   9.048
   32    HG2  ARG   5           2HG      ARG   5   3.163  -0.295   9.214
   33    HG3  ARG   5           1HG      ARG   5   2.287  -1.761   9.651
   34    HD2  ARG   5           2HD      ARG   5   4.648  -0.539  11.088
   35    HD3  ARG   5           1HD      ARG   5   3.019  -0.784  11.714
   36    HE   ARG   5           HE       ARG   5   5.122  -2.764  11.678
   37   HH11  ARG   5          1HH2      ARG   5   1.726  -2.270  11.309
   38   HH12  ARG   5          2HH2      ARG   5   1.312  -3.875  11.815
   39   HH21  ARG   5          2HH1      ARG   5   4.597  -4.844  12.340
   40   HH22  ARG   5          1HH1      ARG   5   2.936  -5.331  12.398
   41    H    ALA   6           H        ALA   6   4.761  -1.853   4.849
   42    HA   ALA   6           HA       ALA   6   6.886  -3.806   5.144
   43    HB1  ALA   6           1HB      ALA   6   4.791  -5.203   5.349
   44    HB2  ALA   6           2HB      ALA   6   5.874  -5.679   4.041
   45    HB3  ALA   6           3HB      ALA   6   4.416  -4.741   3.688
   46    H    TRP   7           H        TRP   7   8.248  -3.662   3.462
   47    HA   TRP   7           HA       TRP   7   8.154  -1.665   1.523
   48    HB2  TRP   7           2HB      TRP   7  10.244  -2.659   1.949
   49    HB3  TRP   7           1HB      TRP   7   9.616  -4.286   1.700
   50    HD1  TRP   7           HD       TRP   7  10.743  -1.186  -0.196
   51    HE1  TRP   7           1HE      TRP   7  11.122  -1.831  -2.673
   52    HE3  TRP   7           3HE      TRP   7   8.944  -5.954  -0.141
   53    HZ2  TRP   7           2HZ      TRP   7  10.706  -4.090  -4.393
   54    HZ3  TRP   7           3HZ      TRP   7   8.939  -7.331  -2.199
   55    HH2  TRP   7           HH       TRP   7   9.820  -6.406  -4.324
   56    H    CYS   8           H        CYS   8   7.279  -1.487  -0.502
   57    HA   CYS   8           HA       CYS   8   5.895  -3.892  -1.660
   58    HB2  CYS   8           2HB      CYS   8   3.993  -2.708  -1.559
   59    HB3  CYS   8           1HB      CYS   8   4.829  -1.308  -0.906
   60    H    LYS   9           H        LYS   9   6.123  -4.068  -3.967
   61    HA   LYS   9           HA       LYS   9   8.439  -2.584  -5.042
   62    HB2  LYS   9           2HB      LYS   9   8.238  -5.054  -5.321
   63    HB3  LYS   9           1HB      LYS   9   6.784  -4.792  -6.276
   64    HG2  LYS   9           2HG      LYS   9   7.988  -3.721  -8.021
   65    HG3  LYS   9           1HG      LYS   9   9.418  -3.519  -7.010
   66    HD2  LYS   9           2HD      LYS   9   9.872  -5.352  -8.500
   67    HD3  LYS   9           1HD      LYS   9   9.598  -6.040  -6.904
   68    HE2  LYS   9           2HE      LYS   9   7.061  -6.109  -7.859
   69    HE3  LYS   9           1HE      LYS   9   7.951  -6.253  -9.370
   70    HZ1  LYS   9           3HZ      LYS   9   8.982  -8.193  -8.673
   71    HZ2  LYS   9           1HZ      LYS   9   7.399  -8.374  -8.091
   72    HZ3  LYS   9           2HZ      LYS   9   8.643  -7.913  -7.031
   73    H    GLU  10           H        GLU  10   5.022  -3.166  -5.853
   74    HA   GLU  10           HA       GLU  10   4.910  -0.475  -7.084
   75    HB2  GLU  10           2HB      GLU  10   4.025  -3.019  -8.495
   76    HB3  GLU  10           1HB      GLU  10   3.548  -1.407  -9.005
   77    HG2  GLU  10           2HG      GLU  10   6.441  -1.556  -8.679
   78    HG3  GLU  10           1HG      GLU  10   5.878  -2.803  -9.785
   79    H    LYS  11           H        LYS  11   2.358  -0.232  -7.712
   80    HA   LYS  11           HA       LYS  11   0.995  -0.365  -5.214
   81    HB2  LYS  11           2HB      LYS  11   0.377   1.226  -6.989
   82    HB3  LYS  11           1HB      LYS  11  -0.211  -0.110  -7.979
   83    HG2  LYS  11           2HG      LYS  11  -2.144  -0.291  -6.800
   84    HG3  LYS  11           1HG      LYS  11  -1.316  -0.145  -5.254
   85    HD2  LYS  11           2HD      LYS  11  -1.375   2.386  -6.775
   86    HD3  LYS  11           1HD      LYS  11  -2.977   1.777  -6.360
   87    HE2  LYS  11           2HE      LYS  11  -2.188   3.181  -4.542
   88    HE3  LYS  11           1HE      LYS  11  -2.216   1.503  -3.996
   89    HZ1  LYS  11           3HZ      LYS  11   0.028   3.275  -4.398
   90    HZ2  LYS  11           1HZ      LYS  11   0.248   1.724  -5.049
   91    HZ3  LYS  11           2HZ      LYS  11  -0.114   1.906  -3.399
   92    H    LYS  12           H        LYS  12   1.012  -2.566  -7.976
   93    HA   LYS  12           HA       LYS  12  -1.103  -4.232  -6.839
   94    HB2  LYS  12           2HB      LYS  12  -0.231  -3.859  -9.363
   95    HB3  LYS  12           1HB      LYS  12   0.703  -5.298  -8.961
   96    HG2  LYS  12           2HG      LYS  12  -1.323  -6.512  -8.382
   97    HG3  LYS  12           1HG      LYS  12  -2.298  -5.057  -8.598
   98    HD2  LYS  12           2HD      LYS  12  -1.623  -4.977 -10.983
   99    HD3  LYS  12           1HD      LYS  12  -0.709  -6.470 -10.761
  100    HE2  LYS  12           2HE      LYS  12  -2.901  -7.503  -9.921
  101    HE3  LYS  12           1HE      LYS  12  -3.700  -6.072 -10.573
  102    HZ1  LYS  12           3HZ      LYS  12  -3.759  -7.328 -12.422
  103    HZ2  LYS  12           1HZ      LYS  12  -2.440  -8.290 -11.962
  104    HZ3  LYS  12           2HZ      LYS  12  -2.175  -6.751 -12.631
  105    H    ASP  13           H        ASP  13   2.195  -3.869  -6.185
  106    HA   ASP  13           HA       ASP  13   2.667  -6.702  -5.571
  107    HB2  ASP  13           2HB      ASP  13   4.455  -5.007  -6.353
  108    HB3  ASP  13           1HB      ASP  13   4.452  -4.444  -4.682
  109    H    CYS  14           H        CYS  14   0.895  -4.376  -3.946
  110    HA   CYS  14           HA       CYS  14   1.873  -5.119  -1.271
  111    HB2  CYS  14           2HB      CYS  14  -0.169  -3.214  -2.366
  112    HB3  CYS  14           1HB      CYS  14  -0.302  -3.735  -0.701
  113    H    CYS  15           H        CYS  15   0.723  -6.509   0.094
  114    HA   CYS  15           HA       CYS  15  -0.660  -8.663  -0.939
  115    HB2  CYS  15           2HB      CYS  15  -1.170  -7.405   1.768
  116    HB3  CYS  15           1HB      CYS  15  -1.341  -9.092   1.325
  117    H    CYS  16           H        CYS  16  -2.807  -9.072  -1.443
  118    HA   CYS  16           HA       CYS  16  -4.445  -7.031  -2.395
  119    HB2  CYS  16           2HB      CYS  16  -5.171  -9.105  -3.100
  120    HB3  CYS  16           1HB      CYS  16  -4.934  -9.844  -1.522
  121    H    GLY  17           H        GLY  17  -5.926  -5.641  -1.499
  122    HA2  GLY  17           2HA      GLY  17  -7.433  -4.824   0.175
  123    HA3  GLY  17           1HA      GLY  17  -6.808  -6.034   1.294
  124    H    TYR  18           H        TYR  18  -4.129  -4.756  -0.159
  125    HA   TYR  18           HA       TYR  18  -3.922  -2.579   1.956
  126    HB2  TYR  18           2HB      TYR  18  -1.812  -4.566   1.080
  127    HB3  TYR  18           1HB      TYR  18  -1.529  -3.213   2.176
  128    HD1  TYR  18           1HD      TYR  18  -3.254  -6.457   1.763
  129    HD2  TYR  18           2HD      TYR  18  -2.394  -3.209   4.440
  130    HE1  TYR  18           1HE      TYR  18  -4.101  -7.802   3.662
  131    HE2  TYR  18           2HE      TYR  18  -3.239  -4.554   6.342
  132    HH   TYR  18           HH       TYR  18  -4.331  -6.423   6.928
  133    H    ASN  19           H        ASN  19  -2.844  -0.703   1.339
  134    HA   ASN  19           HA       ASN  19  -2.451  -0.369  -1.597
  135    HB2  ASN  19           2HB      ASN  19  -3.859   1.351  -0.880
  136    HB3  ASN  19           1HB      ASN  19  -3.063   1.478   0.686
  137   HD21  ASN  19          1HD2      ASN  19  -1.756   3.292   0.889
  138   HD22  ASN  19          2HD2      ASN  19  -0.991   4.095  -0.397
  139    H    CYS  20           H        CYS  20  -0.547   0.698  -2.383
  140    HA   CYS  20           HA       CYS  20   1.851   0.167  -0.727
  141    HB2  CYS  20           2HB      CYS  20   1.789  -0.574  -3.119
  142    HB3  CYS  20           1HB      CYS  20   1.646   1.116  -3.606
  143    H    VAL  21           H        VAL  21   2.500   1.782   0.575
  144    HA   VAL  21           HA       VAL  21   1.916   4.595  -0.190
  145    HB   VAL  21           HB       VAL  21   1.912   3.179   2.284
  146   HG11  VAL  21          1HG1      VAL  21   3.410   4.500   3.679
  147   HG12  VAL  21          2HG1      VAL  21   3.952   5.427   2.282
  148   HG13  VAL  21          3HG1      VAL  21   4.354   3.713   2.419
  149   HG21  VAL  21          3HG2      VAL  21   0.361   4.962   1.582
  150   HG22  VAL  21          1HG2      VAL  21   1.666   6.141   1.703
  151   HG23  VAL  21          2HG2      VAL  21   1.080   5.322   3.152
  152    H    TYR  22           H        TYR  22   3.578   6.107  -0.533
  153    HA   TYR  22           HA       TYR  22   6.265   4.775  -0.949
  154    HB2  TYR  22           2HB      TYR  22   4.897   6.111  -2.765
  155    HB3  TYR  22           1HB      TYR  22   5.559   7.523  -1.945
  156    HD1  TYR  22           2HD      TYR  22   6.498   4.295  -3.546
  157    HD2  TYR  22           1HD      TYR  22   7.797   8.201  -2.325
  158    HE1  TYR  22           2HE      TYR  22   8.644   3.947  -4.733
  159    HE2  TYR  22           1HE      TYR  22   9.944   7.858  -3.513
  160    HH   TYR  22           HH       TYR  22  10.436   5.541  -5.789
  161    H    ALA  23           H        ALA  23   7.908   5.289   0.420
  162    HA   ALA  23           HA       ALA  23   7.468   7.437   2.413
  163    HB1  ALA  23           1HB      ALA  23   8.314   5.090   3.001
  164    HB2  ALA  23           2HB      ALA  23   9.240   6.436   3.657
  165    HB3  ALA  23           3HB      ALA  23   9.837   5.561   2.248
  166    H    TRP  24           H        TRP  24   7.927   9.388   1.432
  167    HA   TRP  24           HA       TRP  24   9.696  10.011  -0.589
  168    HB2  TRP  24           2HB      TRP  24   9.843  12.275   0.356
  169    HB3  TRP  24           1HB      TRP  24   8.198  11.663   0.473
  170    HD1  TRP  24           HD       TRP  24   8.329   9.941   3.066
  171    HE1  TRP  24           1HE      TRP  24   8.710  11.039   5.358
  172    HE3  TRP  24           3HE      TRP  24  10.469  14.345   1.598
  173    HZ2  TRP  24           2HZ      TRP  24   9.779  13.457   6.438
  174    HZ3  TRP  24           3HZ      TRP  24  11.152  16.028   3.285
  175    HH2  TRP  24           HH       TRP  24  10.808  15.590   5.701
  176    H    TYR  25           H        TYR  25  10.485   9.153   2.748
  177    HA   TYR  25           HA       TYR  25  13.375   9.848   2.182
  178    HB2  TYR  25           2HB      TYR  25  13.737   9.826   4.483
  179    HB3  TYR  25           1HB      TYR  25  12.058  10.355   4.425
  180    HD1  TYR  25           2HD      TYR  25  10.215   8.733   4.901
  181    HD2  TYR  25           1HD      TYR  25  14.354   7.676   5.362
  182    HE1  TYR  25           2HE      TYR  25   9.562   6.771   6.271
  183    HE2  TYR  25           1HE      TYR  25  13.701   5.713   6.733
  184    HH   TYR  25           HH       TYR  25  11.395   4.230   6.843
  185    H    ASN  26           H        ASN  26  14.962   8.221   2.182
  186    HA   ASN  26           HA       ASN  26  15.817   6.077   1.774
  187    HB2  ASN  26           2HB      ASN  26  13.684   5.672   3.786
  188    HB3  ASN  26           1HB      ASN  26  14.043   4.246   2.825
  189   HD21  ASN  26          1HD2      ASN  26  16.371   3.525   2.788
  190   HD22  ASN  26          2HD2      ASN  26  17.355   3.880   4.124
  191    H    GLN  27           H        GLN  27  12.939   7.205   0.522
  192    HA   GLN  27           HA       GLN  27  11.528   6.466  -1.221
  193    HB2  GLN  27           2HB      GLN  27  14.354   5.994  -1.924
  194    HB3  GLN  27           1HB      GLN  27  13.229   5.017  -2.867
  195    HG2  GLN  27           2HG      GLN  27  13.694   7.221  -3.929
  196    HG3  GLN  27           1HG      GLN  27  11.992   7.014  -3.526
  197   HE21  GLN  27          1HE2      GLN  27  11.158   8.918  -2.660
  198   HE22  GLN  27          2HE2      GLN  27  11.998   9.971  -1.626
  199    H    GLN  28           H        GLN  28  11.107   4.879   0.929
  200    HA   GLN  28           HA       GLN  28  11.122   2.084  -0.150
  201    HB2  GLN  28           2HB      GLN  28  12.143   3.021   2.258
  202    HB3  GLN  28           1HB      GLN  28  10.563   2.407   2.723
  203    HG2  GLN  28           2HG      GLN  28  12.141   0.596   2.920
  204    HG3  GLN  28           1HG      GLN  28  11.139   0.270   1.506
  205   HE21  GLN  28          1HE2      GLN  28  13.115   2.838   0.667
  206   HE22  GLN  28          2HE2      GLN  28  14.386   1.978  -0.056
  207    H    SER  29           H        SER  29   9.112   1.172  -0.472
  208    HA   SER  29           HA       SER  29   6.782   2.871   0.189
  209    HB2  SER  29           2HB      SER  29   6.840   0.352  -1.474
  210    HB3  SER  29           1HB      SER  29   5.575   1.566  -1.406
  211    HG   SER  29           HG       SER  29   7.299   1.597  -3.171
  212    H    SER  30           H        SER  30   5.506   2.394   1.907
  213    HA   SER  30           HA       SER  30   5.719  -0.268   3.134
  214    HB2  SER  30           2HB      SER  30   5.428   0.730   5.183
  215    HB3  SER  30           1HB      SER  30   6.029   2.140   4.314
  216    HG   SER  30           HG       SER  30   4.169   2.902   5.033
  217    H    CYS  31           H        CYS  31   3.997  -1.639   2.671
  218    HA   CYS  31           HA       CYS  31   1.601  -0.669   1.417
  219    HB2  CYS  31           2HB      CYS  31   2.106  -3.280   2.858
  220    HB3  CYS  31           1HB      CYS  31   0.691  -2.936   1.890
  221    H    GLU  32           H        GLU  32  -0.442  -0.201   2.340
  222    HA   GLU  32           HA       GLU  32  -0.705  -0.480   5.283
  223    HB2  GLU  32           2HB      GLU  32  -0.829   1.745   5.764
  224    HB3  GLU  32           1HB      GLU  32   0.159   1.890   4.313
  225    HG2  GLU  32           2HG      GLU  32  -1.676   2.528   2.981
  226    HG3  GLU  32           1HG      GLU  32  -2.842   1.905   4.145
  227    H    ARG  33           H        ARG  33  -2.742  -0.855   5.968
  228    HA   ARG  33           HA       ARG  33  -4.725  -1.781   4.138
  229    HB2  ARG  33           2HB      ARG  33  -6.008  -2.279   6.041
  230    HB3  ARG  33           1HB      ARG  33  -4.344  -2.436   6.582
  231    HG2  ARG  33           2HG      ARG  33  -6.407  -0.409   7.339
  232    HG3  ARG  33           1HG      ARG  33  -5.182  -1.180   8.327
  233    HD2  ARG  33           2HD      ARG  33  -3.689   0.371   6.545
  234    HD3  ARG  33           1HD      ARG  33  -5.070   1.383   6.916
  235    HE   ARG  33           HE       ARG  33  -3.136   0.314   8.911
  236   HH11  ARG  33          1HH2      ARG  33  -5.742   2.402   8.005
  237   HH12  ARG  33          2HH2      ARG  33  -5.611   3.379   9.426
  238   HH21  ARG  33          2HH1      ARG  33  -2.971   1.585  10.763
  239   HH22  ARG  33          1HH1      ARG  33  -4.051   2.923  10.977
  240    H    LYS  34           H        LYS  34  -4.519   0.579   2.959
  241    HA   LYS  34           HA       LYS  34  -5.912   2.786   3.991
  242    HB2  LYS  34           2HB      LYS  34  -5.021   1.902   1.377
  243    HB3  LYS  34           1HB      LYS  34  -6.571   2.720   1.258
  244    HG2  LYS  34           2HG      LYS  34  -4.357   3.949   2.894
  245    HG3  LYS  34           1HG      LYS  34  -4.369   4.134   1.142
  246    HD2  LYS  34           2HD      LYS  34  -6.960   4.656   2.515
  247    HD3  LYS  34           1HD      LYS  34  -5.682   5.834   2.800
  248    HE2  LYS  34           2HE      LYS  34  -7.026   6.482   0.846
  249    HE3  LYS  34           1HE      LYS  34  -5.378   6.090   0.355
  250    HZ1  LYS  34           3HZ      LYS  34  -7.558   4.089   0.310
  251    HZ2  LYS  34           1HZ      LYS  34  -6.052   4.015  -0.463
  252    HZ3  LYS  34           2HZ      LYS  34  -7.236   5.102  -1.015
  253    H    TRP  35           H        TRP  35  -7.199  -0.251   3.557
  254    HA   TRP  35           HA       TRP  35  -9.945   0.880   3.135
  255    HB2  TRP  35           2HB      TRP  35  -9.122  -1.973   2.580
  256    HB3  TRP  35           1HB      TRP  35 -10.570  -1.127   2.028
  257    HD1  TRP  35           HD       TRP  35  -6.753  -1.112   1.529
  258    HE1  TRP  35           1HE      TRP  35  -6.232  -0.122  -0.793
  259    HE3  TRP  35           3HE      TRP  35 -11.455   0.269   0.076
  260    HZ2  TRP  35           2HZ      TRP  35  -7.619   1.098  -2.974
  261    HZ3  TRP  35           3HZ      TRP  35 -11.823   1.341  -2.129
  262    HH2  TRP  35           HH       TRP  35  -9.912   1.756  -3.654
  263    H    LYS  36           H        LYS  36 -11.546  -1.071   3.994
  264    HA   LYS  36           HA       LYS  36 -11.541  -0.848   6.805
  265    HB2  LYS  36           2HB      LYS  36 -12.918  -2.718   4.890
  266    HB3  LYS  36           1HB      LYS  36 -13.130  -2.906   6.627
  267    HG2  LYS  36           2HG      LYS  36 -13.517  -0.218   5.320
  268    HG3  LYS  36           1HG      LYS  36 -14.816  -1.408   5.321
  269    HD2  LYS  36           2HD      LYS  36 -13.394  -0.607   7.870
  270    HD3  LYS  36           1HD      LYS  36 -14.792   0.276   7.266
  271    HE2  LYS  36           2HE      LYS  36 -16.054  -1.912   7.224
  272    HE3  LYS  36           1HE      LYS  36 -14.677  -2.652   8.037
  273    HZ1  LYS  36           3HZ      LYS  36 -16.284  -1.996   9.658
  274    HZ2  LYS  36           1HZ      LYS  36 -16.331  -0.412   9.054
  275    HZ3  LYS  36           2HZ      LYS  36 -14.923  -0.990   9.809
  276    H    TYR  37           H        TYR  37  -9.074  -2.203   5.400
  277    HA   TYR  37           HA       TYR  37  -7.618  -3.975   5.930
  278    HB2  TYR  37           2HB      TYR  37  -7.630  -4.472   8.534
  279    HB3  TYR  37           1HB      TYR  37  -7.048  -2.936   7.911
  280    HD1  TYR  37           2HD      TYR  37  -8.564  -0.920   7.930
  281    HD2  TYR  37           1HD      TYR  37  -9.593  -4.592   9.915
  282    HE1  TYR  37           2HE      TYR  37 -10.263   0.280   9.273
  283    HE2  TYR  37           1HE      TYR  37 -11.294  -3.382  11.262
  284    HH   TYR  37           HH       TYR  37 -12.424  -1.453  11.496
  285    H    LEU  38           H        LEU  38 -10.895  -4.639   6.113
  286    HA   LEU  38           HA       LEU  38 -10.456  -7.401   6.985
  287    HB2  LEU  38           2HB      LEU  38 -12.953  -5.807   6.446
  288    HB3  LEU  38           1HB      LEU  38 -13.009  -7.555   6.606
  289    HG   LEU  38           HG       LEU  38 -12.538  -5.466   8.688
  290   HD11  LEU  38          1HD1      LEU  38 -14.652  -6.826   8.325
  291   HD12  LEU  38          2HD1      LEU  38 -13.995  -6.872   9.960
  292   HD13  LEU  38          3HD1      LEU  38 -13.740  -8.235   8.871
  293   HD21  LEU  38          3HD2      LEU  38 -11.542  -7.271  10.180
  294   HD22  LEU  38          1HD2      LEU  38 -10.448  -6.628   8.956
  295   HD23  LEU  38          2HD2      LEU  38 -11.221  -8.201   8.719
  296    H    PHE  39           H        PHE  39 -12.294  -5.924   4.301
  297    HA   PHE  39           HA       PHE  39 -10.913  -7.281   2.232
  298    HB2  PHE  39           2HB      PHE  39 -12.422  -9.060   3.755
  299    HB3  PHE  39           1HB      PHE  39 -13.461  -8.714   2.382
  300    HD1  PHE  39           2HD      PHE  39 -11.476  -8.253   0.228
  301    HD2  PHE  39           1HD      PHE  39 -11.572 -11.214   3.339
  302    HE1  PHE  39           2HE      PHE  39 -10.134  -9.783  -1.188
  303    HE2  PHE  39           1HE      PHE  39 -10.229 -12.744   1.922
  304    HZ   PHE  39           HZ       PHE  39  -9.511 -12.029  -0.340
  305    H    THR  40           H        THR  40 -14.352  -7.074   2.855
  306    HA   THR  40           HA       THR  40 -16.074  -5.912   1.751
  307    HB   THR  40           HB       THR  40 -14.558  -3.736   0.602
  308    HG1  THR  40           1HG      THR  40 -13.651  -4.786   3.007
  309   HG21  THR  40          3HG2      THR  40 -16.814  -3.456   1.411
  310   HG22  THR  40          1HG2      THR  40 -15.758  -2.461   2.416
  311   HG23  THR  40          2HG2      THR  40 -16.358  -4.004   3.025
  312    H    GLY  41           H        GLY  41 -15.976  -7.772   0.218
  313    HA2  GLY  41           2HA      GLY  41 -16.168  -8.456  -2.036
  314    HA3  GLY  41           1HA      GLY  41 -15.691  -6.826  -2.525
  315    H    GLU  42           H        GLU  42 -14.493  -8.651  -4.019
  316    HA   GLU  42           HA       GLU  42 -11.970  -9.489  -2.764
  317    HB2  GLU  42           2HB      GLU  42 -12.153  -9.991  -5.624
  318    HB3  GLU  42           1HB      GLU  42 -12.051 -11.128  -4.291
  319    HG2  GLU  42           2HG      GLU  42 -14.507 -10.828  -3.894
  320    HG3  GLU  42           1HG      GLU  42 -14.568  -9.859  -5.368
  321    H    CYS  43           H        CYS  43 -10.029  -8.508  -3.177
  322    HA   CYS  43           HA       CYS  43  -9.732  -5.872  -3.934
  323    HB2  CYS  43           2HB      CYS  43  -7.404  -7.077  -4.940
  324    HB3  CYS  43           1HB      CYS  43  -7.643  -6.511  -3.286
  325    HXT  CYS  43           2HT      CYS  43 -10.754  -7.521  -7.153
  Start of MODEL   12
    1    H1   CYS   1           1H       CYS   1   4.950 -10.714  -1.090
    2    H2   CYS   1           2H       CYS   1   3.367 -11.010  -0.604
    3    H3   CYS   1           3H       CYS   1   3.729 -10.847  -2.239
    4    HA   CYS   1           HA       CYS   1   4.334  -8.540  -1.917
    5    HB2  CYS   1           2HB      CYS   1   1.969  -7.842  -1.033
    6    HB3  CYS   1           1HB      CYS   1   2.094  -8.698  -2.564
    7    H    GLY   2           H        GLY   2   4.421  -6.709  -0.426
    8    HA2  GLY   2           2HA      GLY   2   5.523  -7.436   2.129
    9    HA3  GLY   2           1HA      GLY   2   5.165  -5.799   1.588
   10    H    SER   3           H        SER   3   2.589  -5.531   1.410
   11    HA   SER   3           HA       SER   3   0.446  -5.632   2.452
   12    HB2  SER   3           2HB      SER   3   0.857  -7.998   3.106
   13    HB3  SER   3           1HB      SER   3   1.757  -7.440   4.508
   14    HG   SER   3           HG       SER   3  -0.989  -7.201   3.927
   15    H    LYS   4           H        LYS   4  -0.129  -5.419   5.157
   16    HA   LYS   4           HA       LYS   4   0.419  -2.737   5.757
   17    HB2  LYS   4           2HB      LYS   4  -1.191  -4.477   6.880
   18    HB3  LYS   4           1HB      LYS   4   0.155  -4.773   7.965
   19    HG2  LYS   4           2HG      LYS   4   0.188  -2.432   8.638
   20    HG3  LYS   4           1HG      LYS   4  -1.059  -2.036   7.454
   21    HD2  LYS   4           2HD      LYS   4  -2.638  -3.547   8.598
   22    HD3  LYS   4           1HD      LYS   4  -1.398  -3.966   9.775
   23    HE2  LYS   4           2HE      LYS   4  -1.280  -1.466  10.325
   24    HE3  LYS   4           1HE      LYS   4  -2.767  -1.294   9.389
   25    HZ1  LYS   4           3HZ      LYS   4  -2.874  -3.478  11.240
   26    HZ2  LYS   4           1HZ      LYS   4  -3.963  -2.198  11.018
   27    HZ3  LYS   4           2HZ      LYS   4  -2.607  -1.991  12.020
   28    H    ARG   5           H        ARG   5   2.198  -1.687   6.584
   29    HA   ARG   5           HA       ARG   5   4.423  -1.442   7.351
   30    HB2  ARG   5           2HB      ARG   5   3.006  -2.633   9.287
   31    HB3  ARG   5           1HB      ARG   5   4.079  -3.979   8.929
   32    HG2  ARG   5           2HG      ARG   5   6.030  -2.479   9.291
   33    HG3  ARG   5           1HG      ARG   5   4.917  -1.180   9.734
   34    HD2  ARG   5           2HD      ARG   5   5.252  -3.847  11.133
   35    HD3  ARG   5           1HD      ARG   5   5.639  -2.253  11.785
   36    HE   ARG   5           HE       ARG   5   3.040  -1.875  11.357
   37   HH11  ARG   5          1HH2      ARG   5   4.690  -4.700  12.474
   38   HH12  ARG   5          2HH2      ARG   5   3.320  -5.319  13.332
   39   HH21  ARG   5          2HH1      ARG   5   1.248  -2.675  12.459
   40   HH22  ARG   5          1HH1      ARG   5   1.371  -4.170  13.326
   41    H    ALA   6           H        ALA   6   5.095  -2.130   5.082
   42    HA   ALA   6           HA       ALA   6   7.027  -4.262   5.159
   43    HB1  ALA   6           1HB      ALA   6   4.544  -4.871   3.536
   44    HB2  ALA   6           2HB      ALA   6   4.842  -5.559   5.134
   45    HB3  ALA   6           3HB      ALA   6   5.934  -5.925   3.804
   46    H    TRP   7           H        TRP   7   8.491  -3.781   3.599
   47    HA   TRP   7           HA       TRP   7   8.257  -1.651   1.799
   48    HB2  TRP   7           2HB      TRP   7  10.436  -2.462   2.247
   49    HB3  TRP   7           1HB      TRP   7  10.060  -4.110   1.791
   50    HD1  TRP   7           HD       TRP   7  10.366  -0.620   0.170
   51    HE1  TRP   7           1HE      TRP   7  11.043  -0.948  -2.296
   52    HE3  TRP   7           3HE      TRP   7  10.219  -5.710  -0.102
   53    HZ2  TRP   7           2HZ      TRP   7  11.469  -3.103  -4.145
   54    HZ3  TRP   7           3HZ      TRP   7  10.767  -6.877  -2.217
   55    HH2  TRP   7           HH       TRP   7  11.392  -5.583  -4.236
   56    H    CYS   8           H        CYS   8   6.903  -1.425   0.128
   57    HA   CYS   8           HA       CYS   8   6.020  -3.863  -1.422
   58    HB2  CYS   8           2HB      CYS   8   3.980  -2.927  -0.950
   59    HB3  CYS   8           1HB      CYS   8   4.686  -1.361  -0.547
   60    H    LYS   9           H        LYS   9   6.174  -3.673  -3.768
   61    HA   LYS   9           HA       LYS   9   8.233  -1.727  -4.647
   62    HB2  LYS   9           2HB      LYS   9   8.497  -4.101  -5.274
   63    HB3  LYS   9           1HB      LYS   9   6.961  -4.046  -6.126
   64    HG2  LYS   9           2HG      LYS   9   7.836  -2.317  -7.638
   65    HG3  LYS   9           1HG      LYS   9   9.382  -2.344  -6.788
   66    HD2  LYS   9           2HD      LYS   9   8.191  -4.856  -7.975
   67    HD3  LYS   9           1HD      LYS   9   9.183  -3.765  -8.943
   68    HE2  LYS   9           2HE      LYS   9  11.084  -4.556  -8.008
   69    HE3  LYS   9           1HE      LYS   9  10.454  -4.324  -6.379
   70    HZ1  LYS   9           3HZ      LYS   9   9.318  -6.533  -7.888
   71    HZ2  LYS   9           1HZ      LYS   9   9.740  -6.439  -6.249
   72    HZ3  LYS   9           2HZ      LYS   9  10.942  -6.708  -7.420
   73    H    GLU  10           H        GLU  10   4.846  -2.560  -5.217
   74    HA   GLU  10           HA       GLU  10   4.339   0.106  -6.311
   75    HB2  GLU  10           2HB      GLU  10   3.173  -1.129  -8.354
   76    HB3  GLU  10           1HB      GLU  10   4.884  -0.706  -8.421
   77    HG2  GLU  10           2HG      GLU  10   5.585  -2.899  -8.034
   78    HG3  GLU  10           1HG      GLU  10   4.064  -3.342  -7.258
   79    H    LYS  11           H        LYS  11   1.830  -0.239  -7.312
   80    HA   LYS  11           HA       LYS  11   0.225  -0.609  -4.987
   81    HB2  LYS  11           2HB      LYS  11  -0.439   0.674  -7.047
   82    HB3  LYS  11           1HB      LYS  11  -0.647  -0.863  -7.883
   83    HG2  LYS  11           2HG      LYS  11  -2.814  -0.611  -7.157
   84    HG3  LYS  11           1HG      LYS  11  -2.167  -1.363  -5.699
   85    HD2  LYS  11           2HD      LYS  11  -1.620   1.006  -4.898
   86    HD3  LYS  11           1HD      LYS  11  -2.631   1.578  -6.225
   87    HE2  LYS  11           2HE      LYS  11  -3.417   0.087  -3.748
   88    HE3  LYS  11           1HE      LYS  11  -4.211   1.455  -4.529
   89    HZ1  LYS  11           3HZ      LYS  11  -5.552  -0.416  -4.945
   90    HZ2  LYS  11           1HZ      LYS  11  -4.228  -1.385  -5.373
   91    HZ3  LYS  11           2HZ      LYS  11  -4.724  -0.126  -6.400
   92    H    LYS  12           H        LYS  12   0.741  -2.738  -7.797
   93    HA   LYS  12           HA       LYS  12  -0.874  -4.873  -6.767
   94    HB2  LYS  12           2HB      LYS  12  -0.020  -4.339  -9.198
   95    HB3  LYS  12           1HB      LYS  12   1.345  -5.351  -8.724
   96    HG2  LYS  12           2HG      LYS  12  -0.126  -7.207  -8.219
   97    HG3  LYS  12           1HG      LYS  12  -1.553  -6.202  -8.470
   98    HD2  LYS  12           2HD      LYS  12  -0.844  -5.857 -10.841
   99    HD3  LYS  12           1HD      LYS  12   0.486  -6.987 -10.570
  100    HE2  LYS  12           2HE      LYS  12  -2.405  -7.705 -10.048
  101    HE3  LYS  12           1HE      LYS  12  -1.613  -8.001 -11.597
  102    HZ1  LYS  12           3HZ      LYS  12  -1.281  -9.352  -9.060
  103    HZ2  LYS  12           1HZ      LYS  12   0.167  -9.011  -9.872
  104    HZ3  LYS  12           2HZ      LYS  12  -1.039  -9.929 -10.640
  105    H    ASP  13           H        ASP  13   2.674  -4.329  -6.683
  106    HA   ASP  13           HA       ASP  13   3.452  -6.841  -5.662
  107    HB2  ASP  13           2HB      ASP  13   5.006  -4.931  -6.287
  108    HB3  ASP  13           1HB      ASP  13   4.661  -4.239  -4.705
  109    H    CYS  14           H        CYS  14   1.498  -4.475  -4.135
  110    HA   CYS  14           HA       CYS  14   2.187  -5.441  -1.429
  111    HB2  CYS  14           2HB      CYS  14   1.640  -3.051  -1.733
  112    HB3  CYS  14           1HB      CYS  14   0.027  -3.483  -2.283
  113    H    CYS  15           H        CYS  15   0.780  -6.675  -0.148
  114    HA   CYS  15           HA       CYS  15  -0.688  -8.679  -1.428
  115    HB2  CYS  15           2HB      CYS  15  -0.810  -7.554   1.370
  116    HB3  CYS  15           1HB      CYS  15  -1.721  -8.957   0.876
  117    H    CYS  16           H        CYS  16  -2.774  -8.805  -2.180
  118    HA   CYS  16           HA       CYS  16  -4.248  -6.460  -2.705
  119    HB2  CYS  16           2HB      CYS  16  -4.585  -9.287  -3.125
  120    HB3  CYS  16           1HB      CYS  16  -6.094  -8.637  -2.500
  121    H    GLY  17           H        GLY  17  -5.378  -5.197  -1.384
  122    HA2  GLY  17           2HA      GLY  17  -7.246  -5.165   0.315
  123    HA3  GLY  17           1HA      GLY  17  -6.300  -6.334   1.227
  124    H    TYR  18           H        TYR  18  -3.964  -4.519  -0.105
  125    HA   TYR  18           HA       TYR  18  -4.026  -2.508   2.187
  126    HB2  TYR  18           2HB      TYR  18  -1.760  -4.170   1.094
  127    HB3  TYR  18           1HB      TYR  18  -1.524  -2.868   2.251
  128    HD1  TYR  18           1HD      TYR  18  -2.565  -3.057   4.542
  129    HD2  TYR  18           2HD      TYR  18  -2.676  -6.263   1.693
  130    HE1  TYR  18           1HE      TYR  18  -3.225  -4.636   6.340
  131    HE2  TYR  18           2HE      TYR  18  -3.324  -7.846   3.490
  132    HH   TYR  18           HH       TYR  18  -3.386  -8.099   5.781
  133    H    ASN  19           H        ASN  19  -3.032  -0.458   1.747
  134    HA   ASN  19           HA       ASN  19  -2.843   0.162  -1.168
  135    HB2  ASN  19           2HB      ASN  19  -3.109   2.455  -0.565
  136    HB3  ASN  19           1HB      ASN  19  -4.238   1.574   0.450
  137   HD21  ASN  19          1HD2      ASN  19  -1.794   3.907   0.573
  138   HD22  ASN  19          2HD2      ASN  19  -1.429   3.792   2.228
  139    H    CYS  20           H        CYS  20  -0.876   0.602  -2.089
  140    HA   CYS  20           HA       CYS  20   1.498   0.380  -0.337
  141    HB2  CYS  20           2HB      CYS  20   1.437  -0.963  -2.397
  142    HB3  CYS  20           1HB      CYS  20   1.247   0.504  -3.352
  143    H    VAL  21           H        VAL  21   2.591   2.154   0.302
  144    HA   VAL  21           HA       VAL  21   2.256   4.661  -1.296
  145    HB   VAL  21           HB       VAL  21   1.234   4.566   1.105
  146   HG11  VAL  21          1HG1      VAL  21   3.304   3.528   2.108
  147   HG12  VAL  21          2HG1      VAL  21   2.735   4.980   2.937
  148   HG13  VAL  21          3HG1      VAL  21   4.127   5.073   1.855
  149   HG21  VAL  21          3HG2      VAL  21   1.242   6.684   0.166
  150   HG22  VAL  21          1HG2      VAL  21   2.988   6.680  -0.095
  151   HG23  VAL  21          2HG2      VAL  21   2.338   6.941   1.524
  152    H    TYR  22           H        TYR  22   4.067   5.026  -2.393
  153    HA   TYR  22           HA       TYR  22   6.630   3.846  -1.449
  154    HB2  TYR  22           2HB      TYR  22   5.729   4.233  -3.898
  155    HB3  TYR  22           1HB      TYR  22   6.343   5.868  -3.672
  156    HD1  TYR  22           2HD      TYR  22   8.797   6.120  -2.900
  157    HD2  TYR  22           1HD      TYR  22   7.168   2.491  -4.516
  158    HE1  TYR  22           2HE      TYR  22  11.086   5.323  -3.419
  159    HE2  TYR  22           1HE      TYR  22   9.455   1.690  -5.036
  160    HH   TYR  22           HH       TYR  22  12.132   2.850  -3.701
  161    H    ALA  23           H        ALA  23   7.669   4.908   0.234
  162    HA   ALA  23           HA       ALA  23   7.148   7.769   0.664
  163    HB1  ALA  23           1HB      ALA  23   9.185   7.002   2.424
  164    HB2  ALA  23           2HB      ALA  23   8.209   5.548   2.235
  165    HB3  ALA  23           3HB      ALA  23   7.459   7.043   2.781
  166    H    TRP  24           H        TRP  24   8.089   8.733  -1.139
  167    HA   TRP  24           HA       TRP  24  10.565   8.344  -2.317
  168    HB2  TRP  24           2HB      TRP  24  10.423  11.052  -2.417
  169    HB3  TRP  24           1HB      TRP  24   9.427   9.998  -3.422
  170    HD1  TRP  24           HD       TRP  24   8.807  10.429   0.336
  171    HE1  TRP  24           1HE      TRP  24   6.503  11.512   0.678
  172    HE3  TRP  24           3HE      TRP  24   7.618  11.522  -4.511
  173    HZ2  TRP  24           2HZ      TRP  24   4.435  12.687  -0.878
  174    HZ3  TRP  24           3HZ      TRP  24   5.469  12.632  -5.044
  175    HH2  TRP  24           HH       TRP  24   3.875  13.215  -3.235
  176    H    TYR  25           H        TYR  25   9.934   9.568   0.919
  177    HA   TYR  25           HA       TYR  25  12.560  10.914   1.057
  178    HB2  TYR  25           2HB      TYR  25  11.953  11.621   3.171
  179    HB3  TYR  25           1HB      TYR  25  10.381  11.404   2.414
  180    HD1  TYR  25           2HD      TYR  25   8.982   9.422   2.969
  181    HD2  TYR  25           1HD      TYR  25  12.709  10.201   4.956
  182    HE1  TYR  25           2HE      TYR  25   8.354   7.837   4.768
  183    HE2  TYR  25           1HE      TYR  25  12.080   8.620   6.759
  184    HH   TYR  25           HH       TYR  25  10.260   6.404   6.703
  185    H    ASN  26           H        ASN  26  11.334   7.765   2.336
  186    HA   ASN  26           HA       ASN  26  14.183   7.133   3.004
  187    HB2  ASN  26           2HB      ASN  26  13.364   5.327   4.391
  188    HB3  ASN  26           1HB      ASN  26  12.526   6.809   4.834
  189   HD21  ASN  26          1HD2      ASN  26  11.385   5.722   1.821
  190   HD22  ASN  26          2HD2      ASN  26  10.070   4.896   2.366
  191    H    GLN  27           H        GLN  27  12.379   6.944   0.402
  192    HA   GLN  27           HA       GLN  27  12.374   5.593  -1.503
  193    HB2  GLN  27           2HB      GLN  27  14.869   4.498  -0.177
  194    HB3  GLN  27           1HB      GLN  27  14.421   4.258  -1.865
  195    HG2  GLN  27           2HG      GLN  27  14.868   6.963  -0.565
  196    HG3  GLN  27           1HG      GLN  27  16.038   6.126  -1.585
  197   HE21  GLN  27          1HE2      GLN  27  14.133   8.665  -1.881
  198   HE22  GLN  27          2HE2      GLN  27  13.527   8.467  -3.455
  199    H    GLN  28           H        GLN  28  11.304   4.491   1.262
  200    HA   GLN  28           HA       GLN  28  11.076   1.645   0.331
  201    HB2  GLN  28           2HB      GLN  28  11.071   2.788   3.136
  202    HB3  GLN  28           1HB      GLN  28  10.605   1.127   2.762
  203    HG2  GLN  28           2HG      GLN  28  12.819   0.714   1.771
  204    HG3  GLN  28           1HG      GLN  28  13.291   2.380   2.112
  205   HE21  GLN  28          1HE2      GLN  28  14.847   2.087   3.769
  206   HE22  GLN  28          2HE2      GLN  28  14.528   1.281   5.229
  207    H    SER  29           H        SER  29   8.998   0.817   0.118
  208    HA   SER  29           HA       SER  29   6.782   2.758   0.490
  209    HB2  SER  29           2HB      SER  29   6.576   0.044  -0.807
  210    HB3  SER  29           1HB      SER  29   5.512   1.433  -1.018
  211    HG   SER  29           HG       SER  29   6.801   2.089  -2.533
  212    H    SER  30           H        SER  30   5.295   2.501   2.103
  213    HA   SER  30           HA       SER  30   5.365  -0.015   3.646
  214    HB2  SER  30           2HB      SER  30   6.215   1.960   4.895
  215    HB3  SER  30           1HB      SER  30   4.662   2.749   4.640
  216    HG   SER  30           HG       SER  30   3.689   1.235   5.904
  217    H    CYS  31           H        CYS  31   3.577  -1.153   2.892
  218    HA   CYS  31           HA       CYS  31   1.196   0.131   1.987
  219    HB2  CYS  31           2HB      CYS  31   2.151  -2.538   2.163
  220    HB3  CYS  31           1HB      CYS  31   0.587  -2.498   2.970
  221    H    GLU  32           H        GLU  32  -0.900   0.216   3.021
  222    HA   GLU  32           HA       GLU  32  -0.894  -0.160   5.969
  223    HB2  GLU  32           2HB      GLU  32  -1.548   2.431   4.549
  224    HB3  GLU  32           1HB      GLU  32  -1.932   2.108   6.241
  225    HG2  GLU  32           2HG      GLU  32   0.473   1.712   6.693
  226    HG3  GLU  32           1HG      GLU  32   0.838   2.083   5.009
  227    H    ARG  33           H        ARG  33  -2.838  -0.824   6.730
  228    HA   ARG  33           HA       ARG  33  -4.918  -1.549   4.847
  229    HB2  ARG  33           2HB      ARG  33  -4.848  -3.087   6.565
  230    HB3  ARG  33           1HB      ARG  33  -4.398  -1.889   7.769
  231    HG2  ARG  33           2HG      ARG  33  -7.134  -1.565   6.635
  232    HG3  ARG  33           1HG      ARG  33  -6.877  -3.024   7.582
  233    HD2  ARG  33           2HD      ARG  33  -5.792  -0.537   8.793
  234    HD3  ARG  33           1HD      ARG  33  -7.548  -0.640   8.694
  235    HE   ARG  33           HE       ARG  33  -6.415  -3.078   9.769
  236   HH11  ARG  33          1HH2      ARG  33  -7.317   0.184  10.370
  237   HH12  ARG  33          2HH2      ARG  33  -7.504  -0.029  12.080
  238   HH21  ARG  33          2HH1      ARG  33  -6.656  -3.401  12.006
  239   HH22  ARG  33          1HH1      ARG  33  -7.121  -2.068  13.010
  240    H    LYS  34           H        LYS  34  -5.562   0.596   3.990
  241    HA   LYS  34           HA       LYS  34  -7.302   2.031   5.880
  242    HB2  LYS  34           2HB      LYS  34  -6.098   3.618   3.681
  243    HB3  LYS  34           1HB      LYS  34  -6.565   4.124   5.297
  244    HG2  LYS  34           2HG      LYS  34  -4.617   3.039   6.257
  245    HG3  LYS  34           1HG      LYS  34  -4.183   2.367   4.685
  246    HD2  LYS  34           2HD      LYS  34  -2.811   4.289   4.915
  247    HD3  LYS  34           1HD      LYS  34  -4.111   4.779   3.833
  248    HE2  LYS  34           2HE      LYS  34  -5.250   5.952   5.583
  249    HE3  LYS  34           1HE      LYS  34  -4.222   5.236   6.823
  250    HZ1  LYS  34           3HZ      LYS  34  -2.569   6.681   6.406
  251    HZ2  LYS  34           1HZ      LYS  34  -3.805   7.640   5.748
  252    HZ3  LYS  34           2HZ      LYS  34  -2.837   6.686   4.729
  253    H    TRP  35           H        TRP  35  -6.770   0.741   2.773
  254    HA   TRP  35           HA       TRP  35  -9.554   1.464   1.947
  255    HB2  TRP  35           2HB      TRP  35  -7.316   0.784   0.025
  256    HB3  TRP  35           1HB      TRP  35  -8.849   1.583  -0.320
  257    HD1  TRP  35           HD       TRP  35  -5.723   2.243   1.871
  258    HE1  TRP  35           1HE      TRP  35  -5.235   4.777   1.828
  259    HE3  TRP  35           3HE      TRP  35  -9.593   3.837  -1.053
  260    HZ2  TRP  35           2HZ      TRP  35  -6.346   7.167   0.701
  261    HZ3  TRP  35           3HZ      TRP  35  -9.857   6.241  -1.593
  262    HH2  TRP  35           HH       TRP  35  -8.241   7.907  -0.723
  263    H    LYS  36           H        LYS  36  -9.812  -0.287  -0.148
  264    HA   LYS  36           HA       LYS  36 -10.605  -2.524  -0.385
  265    HB2  LYS  36           2HB      LYS  36  -7.802  -3.190   0.486
  266    HB3  LYS  36           1HB      LYS  36  -8.752  -3.932  -0.797
  267    HG2  LYS  36           2HG      LYS  36  -8.141  -2.357  -2.332
  268    HG3  LYS  36           1HG      LYS  36  -8.215  -1.040  -1.166
  269    HD2  LYS  36           2HD      LYS  36  -6.079  -1.832  -0.165
  270    HD3  LYS  36           1HD      LYS  36  -5.989  -3.082  -1.402
  271    HE2  LYS  36           2HE      LYS  36  -6.342  -0.247  -2.302
  272    HE3  LYS  36           1HE      LYS  36  -4.755  -0.750  -1.722
  273    HZ1  LYS  36           3HZ      LYS  36  -6.039  -1.381  -4.170
  274    HZ2  LYS  36           1HZ      LYS  36  -5.623  -2.794  -3.331
  275    HZ3  LYS  36           2HZ      LYS  36  -4.427  -1.645  -3.700
  276    H    TYR  37           H        TYR  37 -10.694  -1.368   2.501
  277    HA   TYR  37           HA       TYR  37 -10.222  -3.960   3.957
  278    HB2  TYR  37           2HB      TYR  37  -9.343  -1.630   4.751
  279    HB3  TYR  37           1HB      TYR  37 -10.997  -1.409   5.325
  280    HD1  TYR  37           1HD      TYR  37  -8.382  -4.098   5.279
  281    HD2  TYR  37           2HD      TYR  37 -11.440  -2.084   7.523
  282    HE1  TYR  37           1HE      TYR  37  -7.901  -5.549   7.229
  283    HE2  TYR  37           2HE      TYR  37 -10.955  -3.531   9.477
  284    HH   TYR  37           HH       TYR  37  -8.423  -6.039   9.324
  285    H    LEU  38           H        LEU  38 -12.731  -1.836   2.957
  286    HA   LEU  38           HA       LEU  38 -14.983  -1.838   4.062
  287    HB2  LEU  38           2HB      LEU  38 -14.698  -2.303   1.566
  288    HB3  LEU  38           1HB      LEU  38 -14.885  -4.004   1.956
  289    HG   LEU  38           HG       LEU  38 -17.134  -3.813   1.986
  290   HD11  LEU  38          1HD1      LEU  38 -17.047  -3.055   4.337
  291   HD12  LEU  38          2HD1      LEU  38 -18.365  -2.291   3.465
  292   HD13  LEU  38          3HD1      LEU  38 -16.898  -1.385   3.792
  293   HD21  LEU  38          3HD2      LEU  38 -16.302  -1.723   0.402
  294   HD22  LEU  38          1HD2      LEU  38 -17.355  -0.895   1.546
  295   HD23  LEU  38          2HD2      LEU  38 -17.976  -2.235   0.584
  296    H    PHE  39           H        PHE  39 -15.850  -4.915   3.175
  297    HA   PHE  39           HA       PHE  39 -16.431  -5.726   5.827
  298    HB2  PHE  39           2HB      PHE  39 -17.677  -6.684   3.990
  299    HB3  PHE  39           1HB      PHE  39 -16.203  -7.352   3.294
  300    HD1  PHE  39           1HD      PHE  39 -17.014  -7.333   6.939
  301    HD2  PHE  39           2HD      PHE  39 -16.802  -9.662   3.331
  302    HE1  PHE  39           1HE      PHE  39 -17.305  -9.402   8.259
  303    HE2  PHE  39           2HE      PHE  39 -17.097 -11.735   4.659
  304    HZ   PHE  39           HZ       PHE  39 -17.345 -11.606   7.122
  305    H    THR  40           H        THR  40 -13.820  -6.602   3.694
  306    HA   THR  40           HA       THR  40 -12.101  -7.246   5.987
  307    HB   THR  40           HB       THR  40 -13.030  -9.414   5.744
  308    HG1  THR  40           1HG      THR  40 -10.748  -9.366   5.696
  309   HG21  THR  40          3HG2      THR  40 -12.515  -9.809   2.873
  310   HG22  THR  40          1HG2      THR  40 -13.760  -8.606   3.198
  311   HG23  THR  40          2HG2      THR  40 -13.929 -10.244   3.827
  312    H    GLY  41           H        GLY  41 -11.421  -8.654   2.935
  313    HA2  GLY  41           2HA      GLY  41  -9.310  -6.590   2.497
  314    HA3  GLY  41           1HA      GLY  41  -9.224  -8.250   1.913
  315    H    GLU  42           H        GLU  42 -10.233  -8.778  -0.047
  316    HA   GLU  42           HA       GLU  42 -11.167  -8.376  -2.155
  317    HB2  GLU  42           2HB      GLU  42 -13.296  -7.746  -1.660
  318    HB3  GLU  42           1HB      GLU  42 -12.778  -6.815  -0.261
  319    HG2  GLU  42           2HG      GLU  42 -13.794  -5.254  -1.749
  320    HG3  GLU  42           1HG      GLU  42 -12.070  -4.986  -1.915
  321    H    CYS  43           H        CYS  43  -9.544  -7.707  -3.511
  322    HA   CYS  43           HA       CYS  43  -9.091  -4.801  -3.782
  323    HB2  CYS  43           2HB      CYS  43  -7.223  -4.864  -2.499
  324    HB3  CYS  43           1HB      CYS  43  -7.200  -6.623  -2.486
  325    HXT  CYS  43           2HT      CYS  43  -8.687  -5.628  -7.069
  Start of MODEL   13
    1    H1   CYS   1           1H       CYS   1   5.605 -10.078  -0.663
    2    H2   CYS   1           2H       CYS   1   4.172 -10.768  -0.115
    3    H3   CYS   1           3H       CYS   1   4.547 -10.798  -1.754
    4    HA   CYS   1           HA       CYS   1   4.386  -8.398  -1.887
    5    HB2  CYS   1           2HB      CYS   1   1.923  -8.264  -1.479
    6    HB3  CYS   1           1HB      CYS   1   2.369  -9.738  -2.335
    7    H    GLY   2           H        GLY   2   4.142  -6.401  -0.731
    8    HA2  GLY   2           2HA      GLY   2   4.831  -6.544   2.108
    9    HA3  GLY   2           1HA      GLY   2   4.617  -5.066   1.168
   10    H    SER   3           H        SER   3   3.424  -6.367   3.798
   11    HA   SER   3           HA       SER   3   0.564  -5.746   3.163
   12    HB2  SER   3           2HB      SER   3  -0.104  -7.265   4.792
   13    HB3  SER   3           1HB      SER   3   1.350  -8.052   4.184
   14    HG   SER   3           HG       SER   3   0.872  -7.386   6.636
   15    H    LYS   4           H        LYS   4  -0.182  -5.366   5.917
   16    HA   LYS   4           HA       LYS   4  -0.031  -2.670   6.324
   17    HB2  LYS   4           2HB      LYS   4  -1.080  -4.453   7.873
   18    HB3  LYS   4           1HB      LYS   4   0.496  -4.513   8.661
   19    HG2  LYS   4           2HG      LYS   4  -0.072  -1.766   8.421
   20    HG3  LYS   4           1HG      LYS   4  -1.601  -2.500   8.899
   21    HD2  LYS   4           2HD      LYS   4  -0.372  -3.683  10.750
   22    HD3  LYS   4           1HD      LYS   4   1.060  -2.745  10.323
   23    HE2  LYS   4           2HE      LYS   4  -0.362  -0.656  10.607
   24    HE3  LYS   4           1HE      LYS   4  -1.600  -1.697  11.310
   25    HZ1  LYS   4           3HZ      LYS   4   1.126  -1.913  12.344
   26    HZ2  LYS   4           1HZ      LYS   4  -0.354  -2.104  13.149
   27    HZ3  LYS   4           2HZ      LYS   4   0.219  -0.546  12.785
   28    H    ARG   5           H        ARG   5   1.662  -1.268   6.334
   29    HA   ARG   5           HA       ARG   5   3.860  -0.499   6.526
   30    HB2  ARG   5           2HB      ARG   5   3.319  -2.030   9.038
   31    HB3  ARG   5           1HB      ARG   5   4.994  -1.593   8.709
   32    HG2  ARG   5           2HG      ARG   5   3.973   0.805   8.261
   33    HG3  ARG   5           1HG      ARG   5   2.634   0.197   9.237
   34    HD2  ARG   5           2HD      ARG   5   4.449  -0.534  10.928
   35    HD3  ARG   5           1HD      ARG   5   5.531   0.520  10.023
   36    HE   ARG   5           HE       ARG   5   3.039   1.805  10.897
   37   HH11  ARG   5          1HH2      ARG   5   6.350   1.042  11.489
   38   HH12  ARG   5          2HH2      ARG   5   6.560   2.270  12.690
   39   HH21  ARG   5          2HH1      ARG   5   3.294   3.405  12.496
   40   HH22  ARG   5          1HH1      ARG   5   4.835   3.602  13.263
   41    H    ALA   6           H        ALA   6   4.586  -1.601   4.627
   42    HA   ALA   6           HA       ALA   6   6.728  -3.484   5.118
   43    HB1  ALA   6           1HB      ALA   6   4.311  -4.600   3.684
   44    HB2  ALA   6           2HB      ALA   6   4.686  -4.946   5.369
   45    HB3  ALA   6           3HB      ALA   6   5.790  -5.462   4.096
   46    H    TRP   7           H        TRP   7   8.149  -3.302   3.524
   47    HA   TRP   7           HA       TRP   7   8.141  -1.495   1.460
   48    HB2  TRP   7           2HB      TRP   7  10.174  -2.506   2.023
   49    HB3  TRP   7           1HB      TRP   7   9.518  -4.131   1.854
   50    HD1  TRP   7           HD       TRP   7  11.095  -1.321  -0.083
   51    HE1  TRP   7           1HE      TRP   7  11.556  -2.110  -2.499
   52    HE3  TRP   7           3HE      TRP   7   8.558  -5.741  -0.050
   53    HZ2  TRP   7           2HZ      TRP   7  10.923  -4.327  -4.179
   54    HZ3  TRP   7           3HZ      TRP   7   8.494  -7.175  -2.069
   55    HH2  TRP   7           HH       TRP   7   9.674  -6.476  -4.137
   56    H    CYS   8           H        CYS   8   7.314  -1.372  -0.589
   57    HA   CYS   8           HA       CYS   8   5.998  -3.802  -1.774
   58    HB2  CYS   8           2HB      CYS   8   4.012  -2.739  -1.678
   59    HB3  CYS   8           1HB      CYS   8   4.762  -1.341  -0.920
   60    H    LYS   9           H        LYS   9   6.166  -3.898  -4.103
   61    HA   LYS   9           HA       LYS   9   8.286  -2.120  -5.199
   62    HB2  LYS   9           2HB      LYS   9   8.287  -4.711  -5.442
   63    HB3  LYS   9           1HB      LYS   9   7.067  -4.447  -6.687
   64    HG2  LYS   9           2HG      LYS   9   8.601  -2.928  -7.881
   65    HG3  LYS   9           1HG      LYS   9   9.817  -3.160  -6.630
   66    HD2  LYS   9           2HD      LYS   9   8.673  -5.493  -8.174
   67    HD3  LYS   9           1HD      LYS   9  10.043  -4.570  -8.783
   68    HE2  LYS   9           2HE      LYS   9  10.592  -5.193  -6.053
   69    HE3  LYS   9           1HE      LYS   9  10.050  -6.673  -6.832
   70    HZ1  LYS   9           3HZ      LYS   9  12.193  -6.754  -7.468
   71    HZ2  LYS   9           1HZ      LYS   9  12.431  -5.081  -7.323
   72    HZ3  LYS   9           2HZ      LYS   9  11.665  -5.713  -8.702
   73    H    GLU  10           H        GLU  10   4.963  -3.177  -5.917
   74    HA   GLU  10           HA       GLU  10   4.552  -0.685  -7.515
   75    HB2  GLU  10           2HB      GLU  10   3.214  -3.272  -8.307
   76    HB3  GLU  10           1HB      GLU  10   3.503  -1.837  -9.285
   77    HG2  GLU  10           2HG      GLU  10   5.839  -2.346  -9.491
   78    HG3  GLU  10           1HG      GLU  10   5.731  -3.618  -8.276
   79    H    LYS  11           H        LYS  11   2.169  -0.184  -7.718
   80    HA   LYS  11           HA       LYS  11   0.891  -0.239  -5.200
   81    HB2  LYS  11           2HB      LYS  11   0.284   1.348  -7.017
   82    HB3  LYS  11           1HB      LYS  11  -0.472   0.022  -7.898
   83    HG2  LYS  11           2HG      LYS  11  -2.271  -0.095  -6.467
   84    HG3  LYS  11           1HG      LYS  11  -1.318   0.369  -5.058
   85    HD2  LYS  11           2HD      LYS  11  -2.824   2.181  -5.507
   86    HD3  LYS  11           1HD      LYS  11  -1.224   2.714  -6.019
   87    HE2  LYS  11           2HE      LYS  11  -1.748   2.301  -8.333
   88    HE3  LYS  11           1HE      LYS  11  -3.256   1.493  -7.905
   89    HZ1  LYS  11           3HZ      LYS  11  -3.558   3.848  -6.683
   90    HZ2  LYS  11           1HZ      LYS  11  -4.128   3.518  -8.246
   91    HZ3  LYS  11           2HZ      LYS  11  -2.645   4.322  -8.035
   92    H    LYS  12           H        LYS  12   0.844  -2.583  -7.821
   93    HA   LYS  12           HA       LYS  12  -1.273  -4.139  -6.485
   94    HB2  LYS  12           2HB      LYS  12  -0.251  -5.699  -8.527
   95    HB3  LYS  12           1HB      LYS  12  -1.648  -4.644  -8.652
   96    HG2  LYS  12           2HG      LYS  12  -0.090  -2.777  -9.304
   97    HG3  LYS  12           1HG      LYS  12   1.219  -3.957  -9.351
   98    HD2  LYS  12           2HD      LYS  12  -1.208  -4.738 -10.867
   99    HD3  LYS  12           1HD      LYS  12  -0.368  -3.326 -11.498
  100    HE2  LYS  12           2HE      LYS  12   0.372  -5.641 -12.370
  101    HE3  LYS  12           1HE      LYS  12   1.634  -4.525 -11.856
  102    HZ1  LYS  12           3HZ      LYS  12   0.457  -6.485  -9.986
  103    HZ2  LYS  12           1HZ      LYS  12   1.938  -5.666  -9.867
  104    HZ3  LYS  12           2HZ      LYS  12   1.744  -6.907 -11.012
  105    H    ASP  13           H        ASP  13   2.087  -3.793  -6.237
  106    HA   ASP  13           HA       ASP  13   2.694  -6.600  -5.706
  107    HB2  ASP  13           2HB      ASP  13   4.336  -4.715  -6.464
  108    HB3  ASP  13           1HB      ASP  13   4.424  -4.340  -4.743
  109    H    CYS  14           H        CYS  14   0.981  -4.324  -3.924
  110    HA   CYS  14           HA       CYS  14   2.033  -5.127  -1.308
  111    HB2  CYS  14           2HB      CYS  14  -0.131  -3.289  -2.298
  112    HB3  CYS  14           1HB      CYS  14  -0.148  -3.826  -0.635
  113    H    CYS  15           H        CYS  15   0.995  -6.640   0.037
  114    HA   CYS  15           HA       CYS  15  -0.380  -8.774  -1.044
  115    HB2  CYS  15           2HB      CYS  15  -0.728  -7.638   1.741
  116    HB3  CYS  15           1HB      CYS  15  -1.036  -9.282   1.232
  117    H    CYS  16           H        CYS  16  -2.559  -9.283  -1.330
  118    HA   CYS  16           HA       CYS  16  -4.383  -7.306  -2.098
  119    HB2  CYS  16           2HB      CYS  16  -4.442 -10.103  -1.780
  120    HB3  CYS  16           1HB      CYS  16  -5.772  -9.511  -0.789
  121    H    GLY  17           H        GLY  17  -5.750  -5.929  -0.967
  122    HA2  GLY  17           2HA      GLY  17  -7.068  -5.271   0.961
  123    HA3  GLY  17           1HA      GLY  17  -6.133  -6.395   1.942
  124    H    TYR  18           H        TYR  18  -3.875  -4.897   0.027
  125    HA   TYR  18           HA       TYR  18  -3.619  -2.541   1.919
  126    HB2  TYR  18           2HB      TYR  18  -1.388  -4.481   1.251
  127    HB3  TYR  18           1HB      TYR  18  -1.263  -3.052   2.273
  128    HD1  TYR  18           2HD      TYR  18  -2.619  -6.468   2.018
  129    HD2  TYR  18           1HD      TYR  18  -2.219  -2.996   4.513
  130    HE1  TYR  18           2HE      TYR  18  -3.342  -7.799   3.977
  131    HE2  TYR  18           1HE      TYR  18  -2.944  -4.329   6.476
  132    HH   TYR  18           HH       TYR  18  -3.412  -7.817   6.254
  133    H    ASN  19           H        ASN  19  -2.611  -0.719   0.985
  134    HA   ASN  19           HA       ASN  19  -2.122  -0.899  -1.963
  135    HB2  ASN  19           2HB      ASN  19  -2.800   1.323  -2.149
  136    HB3  ASN  19           1HB      ASN  19  -3.795   0.797  -0.790
  137   HD21  ASN  19          1HD2      ASN  19  -2.001   3.382  -1.683
  138   HD22  ASN  19          2HD2      ASN  19  -1.390   3.874  -0.176
  139    H    CYS  20           H        CYS  20  -0.360   0.818  -2.668
  140    HA   CYS  20           HA       CYS  20   2.035   0.305  -1.016
  141    HB2  CYS  20           2HB      CYS  20   1.505   1.135  -3.855
  142    HB3  CYS  20           1HB      CYS  20   3.077   1.347  -3.159
  143    H    VAL  21           H        VAL  21   2.912   1.917   0.204
  144    HA   VAL  21           HA       VAL  21   2.153   4.751  -0.424
  145    HB   VAL  21           HB       VAL  21   2.211   3.263   2.182
  146   HG11  VAL  21          1HG1      VAL  21   3.705   5.688   1.865
  147   HG12  VAL  21          2HG1      VAL  21   3.346   4.819   3.354
  148   HG13  VAL  21          3HG1      VAL  21   2.250   6.071   2.777
  149   HG21  VAL  21          3HG2      VAL  21   0.032   3.729   1.505
  150   HG22  VAL  21          1HG2      VAL  21   0.468   5.290   0.811
  151   HG23  VAL  21          2HG2      VAL  21   0.375   5.101   2.558
  152    H    TYR  22           H        TYR  22   3.889   5.882  -1.089
  153    HA   TYR  22           HA       TYR  22   6.576   4.684  -0.744
  154    HB2  TYR  22           2HB      TYR  22   5.580   6.153  -2.694
  155    HB3  TYR  22           1HB      TYR  22   6.093   7.500  -1.680
  156    HD1  TYR  22           2HD      TYR  22   7.321   4.305  -3.178
  157    HD2  TYR  22           1HD      TYR  22   8.341   8.215  -1.718
  158    HE1  TYR  22           2HE      TYR  22   9.644   3.998  -3.984
  159    HE2  TYR  22           1HE      TYR  22  10.667   7.905  -2.524
  160    HH   TYR  22           HH       TYR  22  11.556   5.507  -4.681
  161    H    ALA  23           H        ALA  23   7.782   4.964   1.080
  162    HA   ALA  23           HA       ALA  23   7.113   7.217   2.904
  163    HB1  ALA  23           1HB      ALA  23   8.528   4.592   3.218
  164    HB2  ALA  23           2HB      ALA  23   7.247   5.293   4.207
  165    HB3  ALA  23           3HB      ALA  23   8.899   5.900   4.343
  166    H    TRP  24           H        TRP  24   8.235   9.053   2.382
  167    HA   TRP  24           HA       TRP  24  10.666   9.159   0.937
  168    HB2  TRP  24           2HB      TRP  24  10.923  11.450   1.998
  169    HB3  TRP  24           1HB      TRP  24   9.391  11.176   1.176
  170    HD1  TRP  24           HD       TRP  24  10.827  10.966   4.775
  171    HE1  TRP  24           1HE      TRP  24   8.962  11.615   6.419
  172    HE3  TRP  24           3HE      TRP  24   6.959  11.603   1.505
  173    HZ2  TRP  24           2HZ      TRP  24   6.193  12.318   6.363
  174    HZ3  TRP  24           3HZ      TRP  24   4.719  12.267   2.330
  175    HH2  TRP  24           HH       TRP  24   4.331  12.626   4.752
  176    H    TYR  25           H        TYR  25  12.670   8.444   1.484
  177    HA   TYR  25           HA       TYR  25  14.206   9.132   3.669
  178    HB2  TYR  25           2HB      TYR  25  12.118   7.947   4.944
  179    HB3  TYR  25           1HB      TYR  25  13.119   6.535   4.676
  180    HD1  TYR  25           2HD      TYR  25  13.374  10.081   5.870
  181    HD2  TYR  25           1HD      TYR  25  14.824   6.050   6.191
  182    HE1  TYR  25           2HE      TYR  25  14.818  10.752   7.773
  183    HE2  TYR  25           1HE      TYR  25  16.266   6.720   8.092
  184    HH   TYR  25           HH       TYR  25  16.222   8.579   9.861
  185    H    ASN  26           H        ASN  26  13.384   5.711   3.137
  186    HA   ASN  26           HA       ASN  26  16.050   5.386   1.846
  187    HB2  ASN  26           2HB      ASN  26  15.459   2.869   2.502
  188    HB3  ASN  26           1HB      ASN  26  16.203   3.978   3.655
  189   HD21  ASN  26          1HD2      ASN  26  15.219   3.514   5.617
  190   HD22  ASN  26          2HD2      ASN  26  13.543   3.452   5.854
  191    H    GLN  27           H        GLN  27  13.347   6.099   0.631
  192    HA   GLN  27           HA       GLN  27  12.121   5.517  -1.287
  193    HB2  GLN  27           2HB      GLN  27  14.612   3.887  -1.895
  194    HB3  GLN  27           1HB      GLN  27  13.398   4.411  -3.062
  195    HG2  GLN  27           2HG      GLN  27  15.032   6.315  -1.360
  196    HG3  GLN  27           1HG      GLN  27  15.453   5.867  -3.013
  197   HE21  GLN  27          1HE2      GLN  27  13.417   7.923  -1.078
  198   HE22  GLN  27          2HE2      GLN  27  12.564   8.633  -2.363
  199    H    GLN  28           H        GLN  28  11.425   4.082   0.948
  200    HA   GLN  28           HA       GLN  28  11.074   1.271  -0.040
  201    HB2  GLN  28           2HB      GLN  28  12.351   1.612   2.128
  202    HB3  GLN  28           1HB      GLN  28  10.872   2.279   2.814
  203    HG2  GLN  28           2HG      GLN  28   9.951  -0.073   1.721
  204    HG3  GLN  28           1HG      GLN  28  11.577  -0.533   2.228
  205   HE21  GLN  28          1HE2      GLN  28  11.398  -1.510   4.261
  206   HE22  GLN  28          2HE2      GLN  28  10.457  -0.916   5.543
  207    H    SER  29           H        SER  29   8.958   0.648  -0.428
  208    HA   SER  29           HA       SER  29   6.835   2.633   0.167
  209    HB2  SER  29           2HB      SER  29   6.859   0.140  -1.545
  210    HB3  SER  29           1HB      SER  29   5.430   1.133  -1.289
  211    HG   SER  29           HG       SER  29   6.541   1.759  -3.171
  212    H    SER  30           H        SER  30   5.573   2.356   1.934
  213    HA   SER  30           HA       SER  30   5.573  -0.233   3.297
  214    HB2  SER  30           2HB      SER  30   4.478   1.092   5.141
  215    HB3  SER  30           1HB      SER  30   6.093   1.646   4.715
  216    HG   SER  30           HG       SER  30   5.029   3.187   3.324
  217    H    CYS  31           H        CYS  31   3.907  -1.595   2.695
  218    HA   CYS  31           HA       CYS  31   1.583  -0.659   1.318
  219    HB2  CYS  31           2HB      CYS  31   2.048  -3.250   2.808
  220    HB3  CYS  31           1HB      CYS  31   0.683  -2.943   1.751
  221    H    GLU  32           H        GLU  32  -0.375   0.079   2.095
  222    HA   GLU  32           HA       GLU  32  -0.997  -0.258   4.984
  223    HB2  GLU  32           2HB      GLU  32  -0.738   2.347   3.521
  224    HB3  GLU  32           1HB      GLU  32  -1.676   2.190   5.010
  225    HG2  GLU  32           2HG      GLU  32   1.229   1.381   4.710
  226    HG3  GLU  32           1HG      GLU  32   0.658   2.867   5.427
  227    H    ARG  33           H        ARG  33  -3.218  -0.394   5.407
  228    HA   ARG  33           HA       ARG  33  -4.963  -1.005   3.216
  229    HB2  ARG  33           2HB      ARG  33  -6.524  -1.612   4.804
  230    HB3  ARG  33           1HB      ARG  33  -5.072  -1.658   5.791
  231    HG2  ARG  33           2HG      ARG  33  -7.094   0.606   5.654
  232    HG3  ARG  33           1HG      ARG  33  -6.816  -0.478   7.004
  233    HD2  ARG  33           2HD      ARG  33  -4.323   0.433   6.787
  234    HD3  ARG  33           1HD      ARG  33  -5.143   1.811   6.054
  235    HE   ARG  33           HE       ARG  33  -6.607   1.486   8.319
  236   HH11  ARG  33          1HH2      ARG  33  -3.215   1.548   7.676
  237   HH12  ARG  33          2HH2      ARG  33  -2.792   2.083   9.268
  238   HH21  ARG  33          2HH1      ARG  33  -6.067   2.179  10.399
  239   HH22  ARG  33          1HH1      ARG  33  -4.403   2.437  10.808
  240    H    LYS  34           H        LYS  34  -3.949   1.522   2.641
  241    HA   LYS  34           HA       LYS  34  -5.473   3.712   3.420
  242    HB2  LYS  34           2HB      LYS  34  -4.342   3.115   0.676
  243    HB3  LYS  34           1HB      LYS  34  -4.974   4.688   1.162
  244    HG2  LYS  34           2HG      LYS  34  -2.829   3.293   2.764
  245    HG3  LYS  34           1HG      LYS  34  -2.427   4.323   1.387
  246    HD2  LYS  34           2HD      LYS  34  -3.349   6.253   2.415
  247    HD3  LYS  34           1HD      LYS  34  -4.215   5.309   3.620
  248    HE2  LYS  34           2HE      LYS  34  -1.407   4.695   3.806
  249    HE3  LYS  34           1HE      LYS  34  -1.621   6.444   3.852
  250    HZ1  LYS  34           3HZ      LYS  34  -1.775   5.349   6.048
  251    HZ2  LYS  34           1HZ      LYS  34  -3.161   4.532   5.516
  252    HZ3  LYS  34           2HZ      LYS  34  -3.169   6.227   5.633
  253    H    TRP  35           H        TRP  35  -6.633   0.942   1.917
  254    HA   TRP  35           HA       TRP  35  -9.111   2.406   1.080
  255    HB2  TRP  35           2HB      TRP  35  -9.419   0.892  -0.731
  256    HB3  TRP  35           1HB      TRP  35  -7.738   1.405  -0.800
  257    HD1  TRP  35           HD       TRP  35  -7.361  -0.766   1.910
  258    HE1  TRP  35           1HE      TRP  35  -6.869  -3.203   1.227
  259    HE3  TRP  35           3HE      TRP  35  -8.817  -0.623  -2.975
  260    HZ2  TRP  35           2HZ      TRP  35  -7.067  -4.866  -1.108
  261    HZ3  TRP  35           3HZ      TRP  35  -8.650  -2.641  -4.403
  262    HH2  TRP  35           HH       TRP  35  -7.772  -4.761  -3.470
  263    H    LYS  36           H        LYS  36 -10.409  -0.162   0.523
  264    HA   LYS  36           HA       LYS  36 -11.131  -2.157   1.755
  265    HB2  LYS  36           2HB      LYS  36 -10.476  -0.397   4.099
  266    HB3  LYS  36           1HB      LYS  36 -11.691  -1.645   4.275
  267    HG2  LYS  36           2HG      LYS  36 -10.101  -3.357   3.550
  268    HG3  LYS  36           1HG      LYS  36  -8.865  -2.123   3.296
  269    HD2  LYS  36           2HD      LYS  36  -8.874  -1.559   5.668
  270    HD3  LYS  36           1HD      LYS  36 -10.208  -2.674   5.959
  271    HE2  LYS  36           2HE      LYS  36  -8.868  -4.573   5.582
  272    HE3  LYS  36           1HE      LYS  36  -7.628  -3.646   4.737
  273    HZ1  LYS  36           3HZ      LYS  36  -8.146  -2.808   7.459
  274    HZ2  LYS  36           1HZ      LYS  36  -6.670  -3.026   6.650
  275    HZ3  LYS  36           2HZ      LYS  36  -7.482  -4.365   7.310
  276    H    TYR  37           H        TYR  37 -12.253   0.703   0.768
  277    HA   TYR  37           HA       TYR  37 -15.028  -0.012   1.777
  278    HB2  TYR  37           2HB      TYR  37 -15.363   2.618   1.549
  279    HB3  TYR  37           1HB      TYR  37 -14.768   1.893   3.040
  280    HD1  TYR  37           2HD      TYR  37 -12.297   1.827   3.492
  281    HD2  TYR  37           1HD      TYR  37 -13.986   4.051   0.229
  282    HE1  TYR  37           2HE      TYR  37 -10.202   3.139   3.303
  283    HE2  TYR  37           1HE      TYR  37 -11.891   5.365   0.041
  284    HH   TYR  37           HH       TYR  37  -9.819   5.629   0.780
  285    H    LEU  38           H        LEU  38 -13.268  -0.061  -0.916
  286    HA   LEU  38           HA       LEU  38 -15.571   0.085  -2.556
  287    HB2  LEU  38           2HB      LEU  38 -15.020   2.559  -2.124
  288    HB3  LEU  38           1HB      LEU  38 -13.605   2.301  -3.138
  289    HG   LEU  38           HG       LEU  38 -14.982   1.701  -5.033
  290   HD11  LEU  38          1HD1      LEU  38 -16.804   0.462  -4.293
  291   HD12  LEU  38          2HD1      LEU  38 -17.589   2.008  -4.599
  292   HD13  LEU  38          3HD1      LEU  38 -17.144   1.563  -2.953
  293   HD21  LEU  38          3HD2      LEU  38 -15.068   4.235  -3.763
  294   HD22  LEU  38          1HD2      LEU  38 -16.706   3.926  -4.340
  295   HD23  LEU  38          2HD2      LEU  38 -15.351   3.886  -5.465
  296    H    PHE  39           H        PHE  39 -13.184   1.274  -4.516
  297    HA   PHE  39           HA       PHE  39 -12.143   0.092  -6.298
  298    HB2  PHE  39           2HB      PHE  39 -10.847  -0.824  -3.748
  299    HB3  PHE  39           1HB      PHE  39 -10.207  -1.261  -5.329
  300    HD1  PHE  39           2HD      PHE  39 -11.269   1.726  -3.322
  301    HD2  PHE  39           1HD      PHE  39  -8.739   0.191  -6.439
  302    HE1  PHE  39           2HE      PHE  39 -10.114   3.916  -3.467
  303    HE2  PHE  39           1HE      PHE  39  -7.587   2.382  -6.583
  304    HZ   PHE  39           HZ       PHE  39  -8.273   4.244  -5.097
  305    H    THR  40           H        THR  40 -12.197  -2.377  -3.805
  306    HA   THR  40           HA       THR  40 -13.219  -4.513  -3.795
  307    HB   THR  40           HB       THR  40 -14.204  -4.352  -6.602
  308    HG1  THR  40           1HG      THR  40 -14.688  -2.405  -4.718
  309   HG21  THR  40          3HG2      THR  40 -15.566  -4.974  -3.967
  310   HG22  THR  40          1HG2      THR  40 -14.799  -6.171  -5.010
  311   HG23  THR  40          2HG2      THR  40 -16.216  -5.286  -5.578
  312    H    GLY  41           H        GLY  41 -10.573  -4.151  -4.336
  313    HA2  GLY  41           2HA      GLY  41  -9.762  -5.362  -6.839
  314    HA3  GLY  41           1HA      GLY  41  -8.710  -5.051  -5.463
  315    H    GLU  42           H        GLU  42 -11.672  -6.918  -5.276
  316    HA   GLU  42           HA       GLU  42 -12.028  -9.076  -4.477
  317    HB2  GLU  42           2HB      GLU  42 -11.440 -10.675  -6.035
  318    HB3  GLU  42           1HB      GLU  42 -11.146  -9.217  -6.976
  319    HG2  GLU  42           2HG      GLU  42  -8.708  -9.482  -5.834
  320    HG3  GLU  42           1HG      GLU  42  -9.197 -11.170  -5.837
  321    H    CYS  43           H        CYS  43 -10.340  -7.646  -2.763
  322    HA   CYS  43           HA       CYS  43  -8.299  -9.623  -1.940
  323    HB2  CYS  43           2HB      CYS  43  -8.818  -6.734  -1.243
  324    HB3  CYS  43           1HB      CYS  43  -7.598  -7.716  -0.473
  325    HXT  CYS  43           2HT      CYS  43  -9.507  -7.751   0.671
  Start of MODEL   14
    1    H1   CYS   1           1H       CYS   1   5.481  -9.066  -1.715
    2    H2   CYS   1           2H       CYS   1   4.578 -10.310  -1.031
    3    H3   CYS   1           3H       CYS   1   4.455  -9.988  -2.678
    4    HA   CYS   1           HA       CYS   1   3.476  -7.845  -2.227
    5    HB2  CYS   1           2HB      CYS   1   1.340  -8.625  -1.594
    6    HB3  CYS   1           1HB      CYS   1   2.084 -10.020  -2.378
    7    H    GLY   2           H        GLY   2   3.575  -6.125  -0.825
    8    HA2  GLY   2           2HA      GLY   2   4.575  -6.557   1.883
    9    HA3  GLY   2           1HA      GLY   2   4.112  -5.002   1.186
   10    H    SER   3           H        SER   3   3.345  -6.746   3.725
   11    HA   SER   3           HA       SER   3   0.396  -6.230   3.498
   12    HB2  SER   3           2HB      SER   3   0.016  -8.092   4.992
   13    HB3  SER   3           1HB      SER   3   1.073  -8.664   3.704
   14    HG   SER   3           HG       SER   3   2.797  -8.542   5.069
   15    H    LYS   4           H        LYS   4  -0.564  -5.226   5.326
   16    HA   LYS   4           HA       LYS   4  -0.056  -3.205   6.701
   17    HB2  LYS   4           2HB      LYS   4  -1.500  -4.354   8.063
   18    HB3  LYS   4           1HB      LYS   4  -0.580  -5.846   7.960
   19    HG2  LYS   4           2HG      LYS   4   0.880  -3.749   9.410
   20    HG3  LYS   4           1HG      LYS   4  -0.673  -4.099  10.145
   21    HD2  LYS   4           2HD      LYS   4   1.112  -6.378   9.323
   22    HD3  LYS   4           1HD      LYS   4   1.432  -5.520  10.828
   23    HE2  LYS   4           2HE      LYS   4  -1.073  -5.898  11.358
   24    HE3  LYS   4           1HE      LYS   4  -1.030  -7.085  10.056
   25    HZ1  LYS   4           3HZ      LYS   4   1.015  -7.153  12.171
   26    HZ2  LYS   4           1HZ      LYS   4   0.439  -8.416  11.197
   27    HZ3  LYS   4           2HZ      LYS   4  -0.521  -7.818  12.464
   28    H    ARG   5           H        ARG   5   1.761  -2.058   6.927
   29    HA   ARG   5           HA       ARG   5   3.938  -1.483   7.560
   30    HB2  ARG   5           2HB      ARG   5   3.254  -2.100   9.803
   31    HB3  ARG   5           1HB      ARG   5   3.471  -3.809   9.450
   32    HG2  ARG   5           2HG      ARG   5   5.915  -3.338   9.026
   33    HG3  ARG   5           1HG      ARG   5   5.633  -1.689   9.576
   34    HD2  ARG   5           2HD      ARG   5   5.805  -2.351  11.728
   35    HD3  ARG   5           1HD      ARG   5   4.522  -3.537  11.496
   36    HE   ARG   5           HE       ARG   5   7.321  -4.138  11.649
   37   HH11  ARG   5          1HH2      ARG   5   4.437  -4.889   9.904
   38   HH12  ARG   5          2HH2      ARG   5   4.933  -6.500   9.522
   39   HH21  ARG   5          2HH1      ARG   5   7.968  -6.246  11.160
   40   HH22  ARG   5          1HH1      ARG   5   6.925  -7.266  10.228
   41    H    ALA   6           H        ALA   6   4.755  -2.083   5.485
   42    HA   ALA   6           HA       ALA   6   6.917  -3.909   5.514
   43    HB1  ALA   6           1HB      ALA   6   5.681  -5.526   3.761
   44    HB2  ALA   6           2HB      ALA   6   4.292  -5.071   4.741
   45    HB3  ALA   6           3HB      ALA   6   5.682  -5.846   5.495
   46    H    TRP   7           H        TRP   7   8.197  -3.441   3.850
   47    HA   TRP   7           HA       TRP   7   7.767  -1.324   2.088
   48    HB2  TRP   7           2HB      TRP   7   9.991  -2.045   2.434
   49    HB3  TRP   7           1HB      TRP   7   9.608  -3.706   1.992
   50    HD1  TRP   7           HD       TRP   7   9.481  -0.233   0.264
   51    HE1  TRP   7           1HE      TRP   7  10.257  -0.538  -2.175
   52    HE3  TRP   7           3HE      TRP   7  10.285  -5.271   0.225
   53    HZ2  TRP   7           2HZ      TRP   7  11.119  -2.643  -3.912
   54    HZ3  TRP   7           3HZ      TRP   7  11.087  -6.403  -1.830
   55    HH2  TRP   7           HH       TRP   7  11.504  -5.097  -3.896
   56    H    CYS   8           H        CYS   8   6.681  -1.053   0.239
   57    HA   CYS   8           HA       CYS   8   5.657  -3.495  -1.208
   58    HB2  CYS   8           2HB      CYS   8   3.738  -2.179  -1.888
   59    HB3  CYS   8           1HB      CYS   8   3.896  -2.001  -0.149
   60    H    LYS   9           H        LYS   9   5.864  -3.389  -3.548
   61    HA   LYS   9           HA       LYS   9   7.960  -1.479  -4.405
   62    HB2  LYS   9           2HB      LYS   9   7.804  -4.080  -4.884
   63    HB3  LYS   9           1HB      LYS   9   6.776  -3.559  -6.214
   64    HG2  LYS   9           2HG      LYS   9   8.511  -2.507  -7.333
   65    HG3  LYS   9           1HG      LYS   9   9.382  -2.133  -5.848
   66    HD2  LYS   9           2HD      LYS   9   9.908  -4.575  -5.603
   67    HD3  LYS   9           1HD      LYS   9   9.171  -4.845  -7.182
   68    HE2  LYS   9           2HE      LYS   9  11.064  -4.198  -8.220
   69    HE3  LYS   9           1HE      LYS   9  11.058  -2.660  -7.357
   70    HZ1  LYS   9           3HZ      LYS   9  11.972  -3.983  -5.414
   71    HZ2  LYS   9           1HZ      LYS   9  13.024  -3.710  -6.715
   72    HZ3  LYS   9           2HZ      LYS   9  12.277  -5.225  -6.532
   73    H    GLU  10           H        GLU  10   4.685  -2.483  -5.361
   74    HA   GLU  10           HA       GLU  10   4.070   0.237  -6.276
   75    HB2  GLU  10           2HB      GLU  10   3.331  -1.820  -8.299
   76    HB3  GLU  10           1HB      GLU  10   3.838  -0.149  -8.530
   77    HG2  GLU  10           2HG      GLU  10   6.184  -0.820  -8.033
   78    HG3  GLU  10           1HG      GLU  10   5.651  -2.496  -7.893
   79    H    LYS  11           H        LYS  11   1.585  -0.041  -7.268
   80    HA   LYS  11           HA       LYS  11   0.058  -0.944  -5.042
   81    HB2  LYS  11           2HB      LYS  11  -1.132   0.591  -6.315
   82    HB3  LYS  11           1HB      LYS  11  -0.610  -0.115  -7.841
   83    HG2  LYS  11           2HG      LYS  11  -2.307  -1.661  -7.871
   84    HG3  LYS  11           1HG      LYS  11  -2.292  -1.875  -6.122
   85    HD2  LYS  11           2HD      LYS  11  -3.567   0.110  -5.770
   86    HD3  LYS  11           1HD      LYS  11  -3.349   0.629  -7.443
   87    HE2  LYS  11           2HE      LYS  11  -4.952  -0.817  -8.244
   88    HE3  LYS  11           1HE      LYS  11  -4.608  -2.046  -7.025
   89    HZ1  LYS  11           3HZ      LYS  11  -5.955  -1.053  -5.508
   90    HZ2  LYS  11           1HZ      LYS  11  -6.778  -0.619  -6.926
   91    HZ3  LYS  11           2HZ      LYS  11  -5.758   0.505  -6.159
   92    H    LYS  12           H        LYS  12   0.759  -2.577  -8.158
   93    HA   LYS  12           HA       LYS  12  -0.824  -4.859  -7.523
   94    HB2  LYS  12           2HB      LYS  12   1.452  -4.660  -9.422
   95    HB3  LYS  12           1HB      LYS  12   0.161  -5.822  -9.453
   96    HG2  LYS  12           2HG      LYS  12  -1.348  -3.626  -9.517
   97    HG3  LYS  12           1HG      LYS  12   0.116  -2.937 -10.214
   98    HD2  LYS  12           2HD      LYS  12  -1.116  -5.496 -11.264
   99    HD3  LYS  12           1HD      LYS  12  -1.583  -3.908 -11.867
  100    HE2  LYS  12           2HE      LYS  12   0.778  -3.444 -12.453
  101    HE3  LYS  12           1HE      LYS  12   1.222  -5.052 -11.879
  102    HZ1  LYS  12           3HZ      LYS  12  -0.527  -4.358 -14.165
  103    HZ2  LYS  12           1HZ      LYS  12  -0.467  -5.919 -13.504
  104    HZ3  LYS  12           2HZ      LYS  12   0.928  -5.235 -14.195
  105    H    ASP  13           H        ASP  13   2.157  -3.825  -6.288
  106    HA   ASP  13           HA       ASP  13   3.041  -6.602  -5.720
  107    HB2  ASP  13           2HB      ASP  13   4.369  -4.029  -6.053
  108    HB3  ASP  13           1HB      ASP  13   4.902  -4.860  -4.600
  109    H    CYS  14           H        CYS  14   0.878  -4.648  -4.349
  110    HA   CYS  14           HA       CYS  14   1.821  -5.086  -1.544
  111    HB2  CYS  14           2HB      CYS  14   0.909  -2.813  -2.285
  112    HB3  CYS  14           1HB      CYS  14  -0.664  -3.587  -2.409
  113    H    CYS  15           H        CYS  15   0.789  -6.644  -0.290
  114    HA   CYS  15           HA       CYS  15  -0.741  -8.664  -1.536
  115    HB2  CYS  15           2HB      CYS  15   0.265  -8.128   1.085
  116    HB3  CYS  15           1HB      CYS  15  -1.424  -8.608   1.237
  117    H    CYS  16           H        CYS  16  -2.912  -9.112  -1.621
  118    HA   CYS  16           HA       CYS  16  -4.712  -7.069  -2.094
  119    HB2  CYS  16           2HB      CYS  16  -5.144  -9.880  -1.085
  120    HB3  CYS  16           1HB      CYS  16  -6.435  -8.837  -1.639
  121    H    GLY  17           H        GLY  17  -6.024  -5.809  -0.849
  122    HA2  GLY  17           2HA      GLY  17  -7.215  -5.183   1.147
  123    HA3  GLY  17           1HA      GLY  17  -6.303  -6.398   2.047
  124    H    TYR  18           H        TYR  18  -4.118  -4.883   0.051
  125    HA   TYR  18           HA       TYR  18  -3.591  -2.664   2.047
  126    HB2  TYR  18           2HB      TYR  18  -1.585  -4.715   1.090
  127    HB3  TYR  18           1HB      TYR  18  -1.188  -3.260   2.005
  128    HD1  TYR  18           2HD      TYR  18  -2.284  -2.914   4.256
  129    HD2  TYR  18           1HD      TYR  18  -2.284  -6.652   2.165
  130    HE1  TYR  18           2HE      TYR  18  -2.811  -4.085   6.376
  131    HE2  TYR  18           1HE      TYR  18  -2.815  -7.845   4.286
  132    HH   TYR  18           HH       TYR  18  -3.083  -6.059   7.365
  133    H    ASN  19           H        ASN  19  -2.450  -0.886   1.181
  134    HA   ASN  19           HA       ASN  19  -2.320  -0.827  -1.814
  135    HB2  ASN  19           2HB      ASN  19  -2.752   1.494  -1.694
  136    HB3  ASN  19           1HB      ASN  19  -3.802   0.810  -0.451
  137   HD21  ASN  19          1HD2      ASN  19  -1.242   3.050  -0.991
  138   HD22  ASN  19          2HD2      ASN  19  -0.877   3.367   0.635
  139    H    CYS  20           H        CYS  20  -0.495   0.519  -2.704
  140    HA   CYS  20           HA       CYS  20   1.962   0.186  -1.033
  141    HB2  CYS  20           2HB      CYS  20   1.934  -1.011  -3.199
  142    HB3  CYS  20           1HB      CYS  20   1.685   0.512  -4.027
  143    H    VAL  21           H        VAL  21   3.135   2.002  -0.458
  144    HA   VAL  21           HA       VAL  21   2.590   4.561  -1.883
  145    HB   VAL  21           HB       VAL  21   1.145   4.422   0.179
  146   HG11  VAL  21          1HG1      VAL  21   2.014   3.769   2.155
  147   HG12  VAL  21          2HG1      VAL  21   3.182   5.085   2.106
  148   HG13  VAL  21          3HG1      VAL  21   3.577   3.530   1.384
  149   HG21  VAL  21          3HG2      VAL  21   3.277   6.530  -0.161
  150   HG22  VAL  21          1HG2      VAL  21   2.051   6.677   1.097
  151   HG23  VAL  21          2HG2      VAL  21   1.571   6.606  -0.598
  152    H    TYR  22           H        TYR  22   4.374   5.946  -2.052
  153    HA   TYR  22           HA       TYR  22   6.955   4.632  -1.365
  154    HB2  TYR  22           2HB      TYR  22   6.498   5.829  -3.545
  155    HB3  TYR  22           1HB      TYR  22   6.515   7.339  -2.638
  156    HD1  TYR  22           2HD      TYR  22   8.686   4.270  -2.362
  157    HD2  TYR  22           1HD      TYR  22   8.482   8.477  -3.201
  158    HE1  TYR  22           2HE      TYR  22  11.150   4.352  -2.534
  159    HE2  TYR  22           1HE      TYR  22  10.957   8.554  -3.379
  160    HH   TYR  22           HH       TYR  22  12.877   5.676  -3.492
  161    H    ALA  23           H        ALA  23   8.150   5.065   0.410
  162    HA   ALA  23           HA       ALA  23   7.294   7.286   2.185
  163    HB1  ALA  23           1HB      ALA  23   7.837   4.743   2.820
  164    HB2  ALA  23           2HB      ALA  23   8.182   6.062   3.931
  165    HB3  ALA  23           3HB      ALA  23   9.474   5.384   2.946
  166    H    TRP  24           H        TRP  24   8.226   9.102   1.212
  167    HA   TRP  24           HA       TRP  24  10.769   9.314   0.043
  168    HB2  TRP  24           2HB      TRP  24  10.383  11.776   1.316
  169    HB3  TRP  24           1HB      TRP  24   9.825  11.341  -0.300
  170    HD1  TRP  24           HD       TRP  24   8.622  11.043   3.361
  171    HE1  TRP  24           1HE      TRP  24   6.051  11.233   3.380
  172    HE3  TRP  24           3HE      TRP  24   7.720  11.372  -1.657
  173    HZ2  TRP  24           2HZ      TRP  24   3.897  11.492   1.517
  174    HZ3  TRP  24           3HZ      TRP  24   5.401  11.589  -2.506
  175    HH2  TRP  24           HH       TRP  24   3.492  11.650  -0.927
  176    H    TYR  25           H        TYR  25   9.879   9.613   3.532
  177    HA   TYR  25           HA       TYR  25  12.539  10.475   4.314
  178    HB2  TYR  25           2HB      TYR  25  11.922   9.896   6.577
  179    HB3  TYR  25           1HB      TYR  25  10.544  10.644   5.780
  180    HD1  TYR  25           2HD      TYR  25   8.592   9.288   5.098
  181    HD2  TYR  25           1HD      TYR  25  11.898   7.566   7.238
  182    HE1  TYR  25           2HE      TYR  25   7.198   7.319   5.677
  183    HE2  TYR  25           1HE      TYR  25  10.493   5.608   7.832
  184    HH   TYR  25           HH       TYR  25   8.288   4.500   6.602
  185    H    ASN  26           H        ASN  26  11.163   7.170   4.157
  186    HA   ASN  26           HA       ASN  26  13.874   6.100   4.739
  187    HB2  ASN  26           2HB      ASN  26  11.109   4.994   4.743
  188    HB3  ASN  26           1HB      ASN  26  12.388   3.877   4.272
  189   HD21  ASN  26          1HD2      ASN  26  11.027   3.408   6.686
  190   HD22  ASN  26          2HD2      ASN  26  12.059   3.732   7.993
  191    H    GLN  27           H        GLN  27  12.349   7.257   2.072
  192    HA   GLN  27           HA       GLN  27  12.661   6.946  -0.225
  193    HB2  GLN  27           2HB      GLN  27  15.177   5.576   0.783
  194    HB3  GLN  27           1HB      GLN  27  14.885   6.053  -0.890
  195    HG2  GLN  27           2HG      GLN  27  14.850   7.971   1.455
  196    HG3  GLN  27           1HG      GLN  27  16.234   7.733   0.388
  197   HE21  GLN  27          1HE2      GLN  27  13.847   9.902   0.850
  198   HE22  GLN  27          2HE2      GLN  27  13.545  10.382  -0.750
  199    H    GLN  28           H        GLN  28  11.721   4.591   1.738
  200    HA   GLN  28           HA       GLN  28  11.646   2.534  -0.444
  201    HB2  GLN  28           2HB      GLN  28  11.525   2.085   2.559
  202    HB3  GLN  28           1HB      GLN  28  11.381   0.830   1.330
  203    HG2  GLN  28           2HG      GLN  28  13.672   1.566   0.488
  204    HG3  GLN  28           1HG      GLN  28  13.799   2.527   1.959
  205   HE21  GLN  28          1HE2      GLN  28  12.898   1.003   3.983
  206   HE22  GLN  28          2HE2      GLN  28  13.694  -0.494   4.064
  207    H    SER  29           H        SER  29   9.579   1.405  -0.617
  208    HA   SER  29           HA       SER  29   7.332   3.168   0.135
  209    HB2  SER  29           2HB      SER  29   7.196   0.613  -1.436
  210    HB3  SER  29           1HB      SER  29   6.052   1.936  -1.438
  211    HG   SER  29           HG       SER  29   8.619   1.773  -2.577
  212    H    SER  30           H        SER  30   5.364   2.217   1.133
  213    HA   SER  30           HA       SER  30   5.798  -0.283   2.591
  214    HB2  SER  30           2HB      SER  30   6.547   1.541   4.096
  215    HB3  SER  30           1HB      SER  30   4.958   2.286   3.946
  216    HG   SER  30           HG       SER  30   4.069   0.401   4.856
  217    H    CYS  31           H        CYS  31   3.968  -1.496   2.753
  218    HA   CYS  31           HA       CYS  31   1.601  -0.679   1.339
  219    HB2  CYS  31           2HB      CYS  31   2.422  -3.047   2.968
  220    HB3  CYS  31           1HB      CYS  31   0.709  -2.824   2.643
  221    H    GLU  32           H        GLU  32  -0.506  -0.135   2.239
  222    HA   GLU  32           HA       GLU  32  -0.587   0.305   5.178
  223    HB2  GLU  32           2HB      GLU  32  -0.854   2.430   3.102
  224    HB3  GLU  32           1HB      GLU  32  -1.795   2.555   4.590
  225    HG2  GLU  32           2HG      GLU  32   1.199   2.291   4.353
  226    HG3  GLU  32           1HG      GLU  32   0.305   3.685   4.911
  227    H    ARG  33           H        ARG  33  -2.571   0.153   6.101
  228    HA   ARG  33           HA       ARG  33  -4.618  -1.256   4.671
  229    HB2  ARG  33           2HB      ARG  33  -5.188  -1.783   6.788
  230    HB3  ARG  33           1HB      ARG  33  -3.960  -0.673   7.372
  231    HG2  ARG  33           2HG      ARG  33  -6.716   0.322   6.619
  232    HG3  ARG  33           1HG      ARG  33  -6.396  -0.370   8.199
  233    HD2  ARG  33           2HD      ARG  33  -4.554   1.766   7.167
  234    HD3  ARG  33           1HD      ARG  33  -6.112   2.223   7.857
  235    HE   ARG  33           HE       ARG  33  -3.819   1.155   9.326
  236   HH11  ARG  33          1HH2      ARG  33  -7.235   1.616   9.169
  237   HH12  ARG  33          2HH2      ARG  33  -7.454   1.555  10.886
  238   HH21  ARG  33          2HH1      ARG  33  -4.087   1.078  11.567
  239   HH22  ARG  33          1HH1      ARG  33  -5.673   1.250  12.245
  240    H    LYS  34           H        LYS  34  -5.290   0.038   2.898
  241    HA   LYS  34           HA       LYS  34  -6.640   2.558   3.607
  242    HB2  LYS  34           2HB      LYS  34  -5.375   1.681   1.019
  243    HB3  LYS  34           1HB      LYS  34  -6.504   3.030   1.096
  244    HG2  LYS  34           2HG      LYS  34  -5.003   4.051   2.878
  245    HG3  LYS  34           1HG      LYS  34  -3.814   2.799   2.501
  246    HD2  LYS  34           2HD      LYS  34  -3.655   3.564   0.205
  247    HD3  LYS  34           1HD      LYS  34  -5.004   4.666   0.427
  248    HE2  LYS  34           2HE      LYS  34  -2.897   5.904   0.527
  249    HE3  LYS  34           1HE      LYS  34  -3.685   5.930   2.103
  250    HZ1  LYS  34           3HZ      LYS  34  -1.689   3.868   1.426
  251    HZ2  LYS  34           1HZ      LYS  34  -2.202   4.386   2.957
  252    HZ3  LYS  34           2HZ      LYS  34  -1.213   5.391   2.008
  253    H    TRP  35           H        TRP  35  -7.238  -0.591   3.106
  254    HA   TRP  35           HA       TRP  35  -9.902  -0.081   1.830
  255    HB2  TRP  35           2HB      TRP  35  -8.711  -2.824   1.856
  256    HB3  TRP  35           1HB      TRP  35  -9.695  -2.040   0.618
  257    HD1  TRP  35           HD       TRP  35  -6.121  -2.119   1.985
  258    HE1  TRP  35           1HE      TRP  35  -4.516  -1.250   0.170
  259    HE3  TRP  35           3HE      TRP  35  -9.508  -0.627  -1.535
  260    HZ2  TRP  35           2HZ      TRP  35  -4.649  -0.068  -2.429
  261    HZ3  TRP  35           3HZ      TRP  35  -8.738   0.373  -3.671
  262    HH2  TRP  35           HH       TRP  35  -6.315   0.651  -4.122
  263    H    LYS  36           H        LYS  36 -11.408  -2.050   2.532
  264    HA   LYS  36           HA       LYS  36 -12.163  -3.543   4.289
  265    HB2  LYS  36           2HB      LYS  36 -10.302  -1.857   5.961
  266    HB3  LYS  36           1HB      LYS  36 -11.528  -2.869   6.691
  267    HG2  LYS  36           2HG      LYS  36  -9.493  -3.927   4.716
  268    HG3  LYS  36           1HG      LYS  36  -9.241  -3.941   6.460
  269    HD2  LYS  36           2HD      LYS  36 -11.795  -5.028   6.183
  270    HD3  LYS  36           1HD      LYS  36 -10.928  -5.692   4.805
  271    HE2  LYS  36           2HE      LYS  36  -9.103  -5.977   6.897
  272    HE3  LYS  36           1HE      LYS  36 -10.656  -6.331   7.651
  273    HZ1  LYS  36           3HZ      LYS  36 -11.103  -7.978   6.019
  274    HZ2  LYS  36           1HZ      LYS  36  -9.545  -8.274   6.622
  275    HZ3  LYS  36           2HZ      LYS  36  -9.741  -7.540   5.101
  276    H    TYR  37           H        TYR  37 -12.937  -0.867   3.064
  277    HA   TYR  37           HA       TYR  37 -14.705   0.114   5.326
  278    HB2  TYR  37           2HB      TYR  37 -13.089   1.524   3.592
  279    HB3  TYR  37           1HB      TYR  37 -14.651   1.628   2.784
  280    HD1  TYR  37           2HD      TYR  37 -12.873   2.269   5.982
  281    HD2  TYR  37           1HD      TYR  37 -16.416   2.990   3.663
  282    HE1  TYR  37           2HE      TYR  37 -13.581   4.006   7.605
  283    HE2  TYR  37           1HE      TYR  37 -17.123   4.726   5.286
  284    HH   TYR  37           HH       TYR  37 -16.580   5.868   7.108
  285    H    LEU  38           H        LEU  38 -16.459  -1.276   5.227
  286    HA   LEU  38           HA       LEU  38 -18.743  -1.128   4.008
  287    HB2  LEU  38           2HB      LEU  38 -17.767  -0.690   1.796
  288    HB3  LEU  38           1HB      LEU  38 -16.958  -2.258   1.824
  289    HG   LEU  38           HG       LEU  38 -19.485  -3.094   2.242
  290   HD11  LEU  38          1HD1      LEU  38 -21.056  -1.758   0.928
  291   HD12  LEU  38          2HD1      LEU  38 -19.788  -0.588   0.564
  292   HD13  LEU  38          3HD1      LEU  38 -20.370  -0.769   2.218
  293   HD21  LEU  38          3HD2      LEU  38 -18.095  -2.399  -0.347
  294   HD22  LEU  38          1HD2      LEU  38 -19.635  -3.260  -0.321
  295   HD23  LEU  38          2HD2      LEU  38 -18.211  -3.972   0.441
  296    H    PHE  39           H        PHE  39 -17.011  -3.860   2.650
  297    HA   PHE  39           HA       PHE  39 -17.168  -5.683   4.830
  298    HB2  PHE  39           2HB      PHE  39 -19.715  -5.102   4.079
  299    HB3  PHE  39           1HB      PHE  39 -19.367  -6.387   2.929
  300    HD1  PHE  39           2HD      PHE  39 -17.829  -8.370   4.237
  301    HD2  PHE  39           1HD      PHE  39 -20.873  -5.864   5.948
  302    HE1  PHE  39           2HE      PHE  39 -18.223 -10.058   6.003
  303    HE2  PHE  39           1HE      PHE  39 -21.264  -7.558   7.717
  304    HZ   PHE  39           HZ       PHE  39 -19.943  -9.654   7.743
  305    H    THR  40           H        THR  40 -15.510  -4.959   2.547
  306    HA   THR  40           HA       THR  40 -14.882  -7.617   1.588
  307    HB   THR  40           HB       THR  40 -15.788  -5.684  -0.552
  308    HG1  THR  40           1HG      THR  40 -17.535  -7.564  -0.399
  309   HG21  THR  40          3HG2      THR  40 -15.486  -8.697  -0.544
  310   HG22  THR  40          1HG2      THR  40 -14.241  -7.583  -1.111
  311   HG23  THR  40          2HG2      THR  40 -15.795  -7.667  -1.943
  312    H    GLY  41           H        GLY  41 -14.143  -5.556  -0.891
  313    HA2  GLY  41           2HA      GLY  41 -12.370  -3.800  -0.914
  314    HA3  GLY  41           1HA      GLY  41 -11.577  -4.686   0.389
  315    H    GLU  42           H        GLU  42 -10.509  -4.022  -2.287
  316    HA   GLU  42           HA       GLU  42  -9.825  -6.805  -3.109
  317    HB2  GLU  42           2HB      GLU  42 -10.134  -6.281  -5.443
  318    HB3  GLU  42           1HB      GLU  42 -11.621  -5.845  -4.599
  319    HG2  GLU  42           2HG      GLU  42 -10.478  -3.489  -4.376
  320    HG3  GLU  42           1HG      GLU  42  -9.487  -4.051  -5.721
  321    H    CYS  43           H        CYS  43  -7.770  -6.931  -4.259
  322    HA   CYS  43           HA       CYS  43  -5.721  -5.306  -3.158
  323    HB2  CYS  43           2HB      CYS  43  -5.073  -6.558  -5.742
  324    HB3  CYS  43           1HB      CYS  43  -4.364  -6.830  -4.161
  325    HXT  CYS  43           2HT      CYS  43  -6.780  -2.776  -4.542
  Start of MODEL   15
    1    H1   CYS   1           1H       CYS   1   5.398  -9.042  -0.413
    2    H2   CYS   1           2H       CYS   1   4.329 -10.022   0.440
    3    H3   CYS   1           3H       CYS   1   4.490 -10.203  -1.225
    4    HA   CYS   1           HA       CYS   1   3.571  -8.017  -1.592
    5    HB2  CYS   1           2HB      CYS   1   1.302  -8.550  -1.055
    6    HB3  CYS   1           1HB      CYS   1   2.098 -10.072  -1.404
    7    H    GLY   2           H        GLY   2   3.724  -5.978  -0.749
    8    HA2  GLY   2           2HA      GLY   2   4.415  -5.396   1.927
    9    HA3  GLY   2           1HA      GLY   2   3.625  -4.246   0.854
   10    H    SER   3           H        SER   3   3.083  -6.705   3.300
   11    HA   SER   3           HA       SER   3   0.189  -5.936   3.373
   12    HB2  SER   3           2HB      SER   3   1.234  -8.440   3.170
   13    HB3  SER   3           1HB      SER   3   1.130  -8.292   4.920
   14    HG   SER   3           HG       SER   3  -0.832  -8.621   3.082
   15    H    LYS   4           H        LYS   4   0.085  -4.237   4.821
   16    HA   LYS   4           HA       LYS   4   0.391  -3.043   6.814
   17    HB2  LYS   4           2HB      LYS   4  -1.110  -4.559   7.783
   18    HB3  LYS   4           1HB      LYS   4  -0.030  -5.913   7.623
   19    HG2  LYS   4           2HG      LYS   4   1.325  -5.167   9.434
   20    HG3  LYS   4           1HG      LYS   4   0.562  -3.571   9.447
   21    HD2  LYS   4           2HD      LYS   4  -1.362  -4.359  10.477
   22    HD3  LYS   4           1HD      LYS   4  -1.152  -5.999   9.857
   23    HE2  LYS   4           2HE      LYS   4   0.777  -6.320  11.382
   24    HE3  LYS   4           1HE      LYS   4   0.538  -4.691  12.019
   25    HZ1  LYS   4           3HZ      LYS   4  -1.699  -6.601  12.010
   26    HZ2  LYS   4           1HZ      LYS   4  -1.417  -5.282  13.037
   27    HZ3  LYS   4           2HZ      LYS   4  -0.509  -6.705  13.220
   28    H    ARG   5           H        ARG   5   2.323  -2.065   7.014
   29    HA   ARG   5           HA       ARG   5   4.609  -1.740   7.359
   30    HB2  ARG   5           2HB      ARG   5   5.075  -3.941   9.217
   31    HB3  ARG   5           1HB      ARG   5   5.120  -2.207   9.519
   32    HG2  ARG   5           2HG      ARG   5   2.591  -2.257   9.633
   33    HG3  ARG   5           1HG      ARG   5   2.715  -4.007   9.552
   34    HD2  ARG   5           2HD      ARG   5   2.538  -3.302  11.878
   35    HD3  ARG   5           1HD      ARG   5   4.100  -4.044  11.564
   36    HE   ARG   5           HE       ARG   5   3.667  -1.088  11.776
   37   HH11  ARG   5          1HH2      ARG   5   5.625  -3.938  12.006
   38   HH12  ARG   5          2HH2      ARG   5   6.977  -3.101  12.687
   39   HH21  ARG   5          2HH1      ARG   5   5.427  -0.080  12.680
   40   HH22  ARG   5          1HH1      ARG   5   6.866  -0.891  13.069
   41    H    ALA   6           H        ALA   6   5.115  -2.475   5.224
   42    HA   ALA   6           HA       ALA   6   7.110  -4.507   5.103
   43    HB1  ALA   6           1HB      ALA   6   4.323  -5.326   4.285
   44    HB2  ALA   6           2HB      ALA   6   5.481  -6.211   5.282
   45    HB3  ALA   6           3HB      ALA   6   5.743  -6.066   3.544
   46    H    TRP   7           H        TRP   7   8.361  -3.714   3.512
   47    HA   TRP   7           HA       TRP   7   7.746  -1.672   1.751
   48    HB2  TRP   7           2HB      TRP   7  10.025  -2.146   1.942
   49    HB3  TRP   7           1HB      TRP   7   9.794  -3.867   1.622
   50    HD1  TRP   7           HD       TRP   7   8.928  -0.631  -0.331
   51    HE1  TRP   7           1HE      TRP   7   9.639  -0.966  -2.787
   52    HE3  TRP   7           3HE      TRP   7  10.863  -5.345  -0.045
   53    HZ2  TRP   7           2HZ      TRP   7  10.870  -2.972  -4.413
   54    HZ3  TRP   7           3HZ      TRP   7  11.798  -6.446  -2.059
   55    HH2  TRP   7           HH       TRP   7  11.802  -5.267  -4.240
   56    H    CYS   8           H        CYS   8   6.956  -1.481  -0.337
   57    HA   CYS   8           HA       CYS   8   5.945  -3.986  -1.653
   58    HB2  CYS   8           2HB      CYS   8   4.099  -2.465  -2.585
   59    HB3  CYS   8           1HB      CYS   8   3.953  -2.919  -0.894
   60    H    LYS   9           H        LYS   9   6.107  -3.970  -3.953
   61    HA   LYS   9           HA       LYS   9   8.195  -2.167  -5.003
   62    HB2  LYS   9           2HB      LYS   9   8.172  -4.612  -5.551
   63    HB3  LYS   9           1HB      LYS   9   6.651  -4.372  -6.394
   64    HG2  LYS   9           2HG      LYS   9   7.801  -2.681  -7.862
   65    HG3  LYS   9           1HG      LYS   9   9.323  -3.170  -7.111
   66    HD2  LYS   9           2HD      LYS   9   8.960  -5.489  -7.831
   67    HD3  LYS   9           1HD      LYS   9   7.413  -5.035  -8.551
   68    HE2  LYS   9           2HE      LYS   9   8.669  -3.395 -10.030
   69    HE3  LYS   9           1HE      LYS   9  10.168  -4.096  -9.389
   70    HZ1  LYS   9           3HZ      LYS   9   9.312  -6.290 -10.143
   71    HZ2  LYS   9           1HZ      LYS   9   9.622  -5.199 -11.405
   72    HZ3  LYS   9           2HZ      LYS   9   8.024  -5.479 -10.899
   73    H    GLU  10           H        GLU  10   4.743  -2.645  -5.209
   74    HA   GLU  10           HA       GLU  10   4.280  -0.058  -6.436
   75    HB2  GLU  10           2HB      GLU  10   5.022  -1.706  -8.335
   76    HB3  GLU  10           1HB      GLU  10   3.419  -2.380  -8.142
   77    HG2  GLU  10           2HG      GLU  10   3.146  -0.737  -9.818
   78    HG3  GLU  10           1HG      GLU  10   2.592   0.070  -8.357
   79    H    LYS  11           H        LYS  11   1.809  -0.762  -7.600
   80    HA   LYS  11           HA       LYS  11   0.113  -0.921  -5.247
   81    HB2  LYS  11           2HB      LYS  11  -0.768   0.332  -7.068
   82    HB3  LYS  11           1HB      LYS  11  -0.460  -0.964  -8.219
   83    HG2  LYS  11           2HG      LYS  11  -2.235  -1.665  -5.930
   84    HG3  LYS  11           1HG      LYS  11  -2.899  -0.512  -7.082
   85    HD2  LYS  11           2HD      LYS  11  -3.023  -2.052  -8.778
   86    HD3  LYS  11           1HD      LYS  11  -1.540  -2.866  -8.292
   87    HE2  LYS  11           2HE      LYS  11  -2.913  -3.699  -6.251
   88    HE3  LYS  11           1HE      LYS  11  -4.322  -3.236  -7.204
   89    HZ1  LYS  11           3HZ      LYS  11  -3.778  -5.527  -7.606
   90    HZ2  LYS  11           1HZ      LYS  11  -2.181  -5.125  -8.019
   91    HZ3  LYS  11           2HZ      LYS  11  -3.465  -4.628  -9.013
   92    H    LYS  12           H        LYS  12   0.720  -3.182  -7.955
   93    HA   LYS  12           HA       LYS  12  -0.903  -5.289  -6.844
   94    HB2  LYS  12           2HB      LYS  12  -0.326  -5.209  -9.231
   95    HB3  LYS  12           1HB      LYS  12   1.376  -5.446  -8.831
   96    HG2  LYS  12           2HG      LYS  12   0.839  -7.624  -7.794
   97    HG3  LYS  12           1HG      LYS  12  -0.867  -7.389  -8.188
   98    HD2  LYS  12           2HD      LYS  12  -0.495  -7.602 -10.500
   99    HD3  LYS  12           1HD      LYS  12   1.221  -7.238 -10.352
  100    HE2  LYS  12           2HE      LYS  12   0.444  -9.642  -8.843
  101    HE3  LYS  12           1HE      LYS  12   0.149  -9.785 -10.579
  102    HZ1  LYS  12           3HZ      LYS  12   2.332  -9.629 -11.064
  103    HZ2  LYS  12           1HZ      LYS  12   2.514 -10.240  -9.492
  104    HZ3  LYS  12           2HZ      LYS  12   2.672  -8.571  -9.779
  105    H    ASP  13           H        ASP  13   2.606  -4.696  -6.822
  106    HA   ASP  13           HA       ASP  13   3.423  -7.047  -5.536
  107    HB2  ASP  13           2HB      ASP  13   4.834  -5.111  -6.443
  108    HB3  ASP  13           1HB      ASP  13   4.604  -4.364  -4.867
  109    H    CYS  14           H        CYS  14   1.321  -4.701  -4.260
  110    HA   CYS  14           HA       CYS  14   2.109  -5.299  -1.456
  111    HB2  CYS  14           2HB      CYS  14   1.538  -2.997  -1.778
  112    HB3  CYS  14           1HB      CYS  14   0.064  -3.411  -2.652
  113    H    CYS  15           H        CYS  15   0.624  -6.342  -0.023
  114    HA   CYS  15           HA       CYS  15  -0.779  -8.532  -1.167
  115    HB2  CYS  15           2HB      CYS  15  -0.173  -7.556   1.457
  116    HB3  CYS  15           1HB      CYS  15  -1.867  -8.035   1.406
  117    H    CYS  16           H        CYS  16  -2.773  -8.823  -1.851
  118    HA   CYS  16           HA       CYS  16  -4.510  -6.813  -2.708
  119    HB2  CYS  16           2HB      CYS  16  -5.963  -9.203  -1.845
  120    HB3  CYS  16           1HB      CYS  16  -5.678  -8.600  -3.472
  121    H    GLY  17           H        GLY  17  -4.204  -5.485  -0.563
  122    HA2  GLY  17           2HA      GLY  17  -6.721  -5.260   0.741
  123    HA3  GLY  17           1HA      GLY  17  -5.639  -6.159   1.801
  124    H    TYR  18           H        TYR  18  -3.241  -4.809   0.697
  125    HA   TYR  18           HA       TYR  18  -3.620  -2.208   2.212
  126    HB2  TYR  18           2HB      TYR  18  -1.169  -3.907   1.714
  127    HB3  TYR  18           1HB      TYR  18  -1.127  -2.325   2.479
  128    HD1  TYR  18           2HD      TYR  18  -2.267  -5.788   2.745
  129    HD2  TYR  18           1HD      TYR  18  -1.990  -1.992   4.708
  130    HE1  TYR  18           2HE      TYR  18  -2.919  -6.861   4.896
  131    HE2  TYR  18           1HE      TYR  18  -2.638  -3.050   6.860
  132    HH   TYR  18           HH       TYR  18  -2.690  -6.435   7.298
  133    H    ASN  19           H        ASN  19  -2.609  -0.308   1.370
  134    HA   ASN  19           HA       ASN  19  -2.371  -0.320  -1.600
  135    HB2  ASN  19           2HB      ASN  19  -3.718   1.486  -1.374
  136    HB3  ASN  19           1HB      ASN  19  -3.509   1.471   0.373
  137   HD21  ASN  19          1HD2      ASN  19  -2.154   2.775  -2.640
  138   HD22  ASN  19          2HD2      ASN  19  -1.240   3.992  -1.894
  139    H    CYS  20           H        CYS  20  -0.404   0.159  -2.555
  140    HA   CYS  20           HA       CYS  20   1.933   0.346  -0.803
  141    HB2  CYS  20           2HB      CYS  20   1.946  -0.969  -2.911
  142    HB3  CYS  20           1HB      CYS  20   1.780   0.527  -3.824
  143    H    VAL  21           H        VAL  21   2.717   2.182  -0.042
  144    HA   VAL  21           HA       VAL  21   2.313   4.712  -1.595
  145    HB   VAL  21           HB       VAL  21   2.102   4.188   1.379
  146   HG11  VAL  21          1HG1      VAL  21   3.384   6.172   1.304
  147   HG12  VAL  21          2HG1      VAL  21   1.722   6.746   1.434
  148   HG13  VAL  21          3HG1      VAL  21   2.543   6.766  -0.127
  149   HG21  VAL  21          3HG2      VAL  21  -0.131   4.697   1.147
  150   HG22  VAL  21          1HG2      VAL  21   0.162   4.078  -0.480
  151   HG23  VAL  21          2HG2      VAL  21   0.150   5.818  -0.187
  152    H    TYR  22           H        TYR  22   4.180   5.855  -1.996
  153    HA   TYR  22           HA       TYR  22   6.711   4.679  -1.091
  154    HB2  TYR  22           2HB      TYR  22   6.416   6.024  -3.213
  155    HB3  TYR  22           1HB      TYR  22   6.288   7.466  -2.202
  156    HD1  TYR  22           2HD      TYR  22   8.494   4.520  -2.869
  157    HD2  TYR  22           1HD      TYR  22   8.234   8.565  -1.445
  158    HE1  TYR  22           2HE      TYR  22  10.963   4.609  -2.674
  159    HE2  TYR  22           1HE      TYR  22  10.706   8.651  -1.246
  160    HH   TYR  22           HH       TYR  22  12.741   6.510  -2.705
  161    H    ALA  23           H        ALA  23   7.837   5.147   0.781
  162    HA   ALA  23           HA       ALA  23   6.586   7.014   2.681
  163    HB1  ALA  23           1HB      ALA  23   9.149   5.829   3.496
  164    HB2  ALA  23           2HB      ALA  23   7.974   4.610   2.947
  165    HB3  ALA  23           3HB      ALA  23   7.553   5.719   4.274
  166    H    TRP  24           H        TRP  24   7.041   8.945   1.430
  167    HA   TRP  24           HA       TRP  24   9.559   9.824   0.555
  168    HB2  TRP  24           2HB      TRP  24   8.130  12.086   1.598
  169    HB3  TRP  24           1HB      TRP  24   8.295  11.575  -0.082
  170    HD1  TRP  24           HD       TRP  24   6.210  10.518   3.001
  171    HE1  TRP  24           1HE      TRP  24   3.839   9.916   2.202
  172    HE3  TRP  24           3HE      TRP  24   6.779  11.224  -2.021
  173    HZ2  TRP  24           2HZ      TRP  24   2.371   9.760  -0.250
  174    HZ3  TRP  24           3HZ      TRP  24   4.879  10.843  -3.566
  175    HH2  TRP  24           HH       TRP  24   2.678  10.112  -2.687
  176    H    TYR  25           H        TYR  25   8.159   9.991   3.860
  177    HA   TYR  25           HA       TYR  25  10.340  11.720   4.810
  178    HB2  TYR  25           2HB      TYR  25   9.498  11.203   7.065
  179    HB3  TYR  25           1HB      TYR  25   8.185  11.634   5.973
  180    HD1  TYR  25           2HD      TYR  25   6.668   9.899   5.081
  181    HD2  TYR  25           1HD      TYR  25   9.689   8.972   7.990
  182    HE1  TYR  25           2HE      TYR  25   5.520   7.766   5.592
  183    HE2  TYR  25           1HE      TYR  25   8.532   6.839   8.509
  184    HH   TYR  25           HH       TYR  25   6.836   5.264   6.991
  185    H    ASN  26           H        ASN  26  10.035   8.244   4.437
  186    HA   ASN  26           HA       ASN  26  12.827   8.010   5.487
  187    HB2  ASN  26           2HB      ASN  26  12.169   5.750   6.398
  188    HB3  ASN  26           1HB      ASN  26  11.431   7.112   7.243
  189   HD21  ASN  26          1HD2      ASN  26   9.339   7.781   5.456
  190   HD22  ASN  26          2HD2      ASN  26   8.255   6.483   5.361
  191    H    GLN  27           H        GLN  27  11.157   7.996   2.826
  192    HA   GLN  27           HA       GLN  27  11.456   7.047   0.716
  193    HB2  GLN  27           2HB      GLN  27  13.855   5.746   2.037
  194    HB3  GLN  27           1HB      GLN  27  13.572   5.875   0.304
  195    HG2  GLN  27           2HG      GLN  27  13.694   8.279   2.140
  196    HG3  GLN  27           1HG      GLN  27  15.094   7.668   1.258
  197   HE21  GLN  27          1HE2      GLN  27  12.431   9.784   1.018
  198   HE22  GLN  27          2HE2      GLN  27  12.447  10.000  -0.666
  199    H    GLN  28           H        GLN  28  12.302   4.485  -0.048
  200    HA   GLN  28           HA       GLN  28  11.465   2.318  -0.299
  201    HB2  GLN  28           2HB      GLN  28  10.859   2.580   2.665
  202    HB3  GLN  28           1HB      GLN  28  10.862   1.079   1.746
  203    HG2  GLN  28           2HG      GLN  28  13.354   2.413   1.248
  204    HG3  GLN  28           1HG      GLN  28  13.090   2.385   2.990
  205   HE21  GLN  28          1HE2      GLN  28  13.226   0.346   4.071
  206   HE22  GLN  28          2HE2      GLN  28  13.606  -1.102   3.271
  207    H    SER  29           H        SER  29   9.261   0.999   0.489
  208    HA   SER  29           HA       SER  29   6.986   2.919   0.185
  209    HB2  SER  29           2HB      SER  29   7.061   0.256  -1.234
  210    HB3  SER  29           1HB      SER  29   6.004   1.628  -1.545
  211    HG   SER  29           HG       SER  29   7.723   1.436  -3.070
  212    H    SER  30           H        SER  30   5.576   2.575   1.847
  213    HA   SER  30           HA       SER  30   5.514  -0.096   3.088
  214    HB2  SER  30           2HB      SER  30   4.558   1.251   5.078
  215    HB3  SER  30           1HB      SER  30   6.283   1.375   4.748
  216    HG   SER  30           HG       SER  30   4.719   3.127   3.325
  217    H    CYS  31           H        CYS  31   3.702  -1.180   2.454
  218    HA   CYS  31           HA       CYS  31   1.421   0.176   1.386
  219    HB2  CYS  31           2HB      CYS  31   2.262  -2.369   1.216
  220    HB3  CYS  31           1HB      CYS  31   1.047  -2.565   2.472
  221    H    GLU  32           H        GLU  32  -0.632   0.563   2.305
  222    HA   GLU  32           HA       GLU  32  -0.945   0.080   5.215
  223    HB2  GLU  32           2HB      GLU  32  -1.188   2.299   5.808
  224    HB3  GLU  32           1HB      GLU  32   0.028   2.446   4.540
  225    HG2  GLU  32           2HG      GLU  32  -1.627   3.072   2.914
  226    HG3  GLU  32           1HG      GLU  32  -2.928   2.659   4.022
  227    H    ARG  33           H        ARG  33  -3.176   0.084   5.902
  228    HA   ARG  33           HA       ARG  33  -5.013  -1.053   4.119
  229    HB2  ARG  33           2HB      ARG  33  -6.557  -0.935   5.835
  230    HB3  ARG  33           1HB      ARG  33  -5.078  -0.667   6.749
  231    HG2  ARG  33           2HG      ARG  33  -6.216   1.162   7.529
  232    HG3  ARG  33           1HG      ARG  33  -5.656   1.900   6.036
  233    HD2  ARG  33           2HD      ARG  33  -8.022   2.298   6.146
  234    HD3  ARG  33           1HD      ARG  33  -7.794   1.030   4.949
  235    HE   ARG  33           HE       ARG  33  -8.278   0.080   7.640
  236   HH11  ARG  33          1HH2      ARG  33  -9.607   1.106   4.646
  237   HH12  ARG  33          2HH2      ARG  33 -11.119   0.293   4.870
  238   HH21  ARG  33          2HH1      ARG  33 -10.259  -1.033   7.952
  239   HH22  ARG  33          1HH1      ARG  33 -11.488  -0.912   6.738
  240    H    LYS  34           H        LYS  34  -6.880  -0.156   2.988
  241    HA   LYS  34           HA       LYS  34  -7.340   2.643   2.796
  242    HB2  LYS  34           2HB      LYS  34  -5.076   1.861   1.458
  243    HB3  LYS  34           1HB      LYS  34  -6.273   1.762   0.184
  244    HG2  LYS  34           2HG      LYS  34  -6.626   4.233   1.675
  245    HG3  LYS  34           1HG      LYS  34  -4.952   4.085   1.154
  246    HD2  LYS  34           2HD      LYS  34  -6.333   3.308  -1.121
  247    HD3  LYS  34           1HD      LYS  34  -7.383   4.552  -0.452
  248    HE2  LYS  34           2HE      LYS  34  -5.547   6.148  -0.416
  249    HE3  LYS  34           1HE      LYS  34  -4.407   4.900  -0.922
  250    HZ1  LYS  34           3HZ      LYS  34  -6.194   4.689  -2.853
  251    HZ2  LYS  34           1HZ      LYS  34  -4.880   5.757  -2.942
  252    HZ3  LYS  34           2HZ      LYS  34  -6.411   6.332  -2.478
  253    H    TRP  35           H        TRP  35  -9.322   1.087   3.197
  254    HA   TRP  35           HA       TRP  35 -10.532   0.458   0.541
  255    HB2  TRP  35           2HB      TRP  35 -10.832  -1.000   3.170
  256    HB3  TRP  35           1HB      TRP  35 -11.853  -1.303   1.762
  257    HD1  TRP  35           HD       TRP  35  -8.295  -1.761   3.052
  258    HE1  TRP  35           1HE      TRP  35  -7.017  -3.333   1.459
  259    HE3  TRP  35           3HE      TRP  35 -11.734  -2.209  -0.701
  260    HZ2  TRP  35           2HZ      TRP  35  -7.406  -4.613  -1.085
  261    HZ3  TRP  35           3HZ      TRP  35 -11.257  -3.613  -2.682
  262    HH2  TRP  35           HH       TRP  35  -9.100  -4.817  -2.876
  263    H    LYS  36           H        LYS  36 -10.991   1.790   3.703
  264    HA   LYS  36           HA       LYS  36 -12.692   3.130   4.603
  265    HB2  LYS  36           2HB      LYS  36 -12.907   3.794   1.663
  266    HB3  LYS  36           1HB      LYS  36 -13.807   4.650   2.914
  267    HG2  LYS  36           2HG      LYS  36 -11.703   5.267   4.026
  268    HG3  LYS  36           1HG      LYS  36 -10.790   4.391   2.796
  269    HD2  LYS  36           2HD      LYS  36 -11.737   5.875   1.052
  270    HD3  LYS  36           1HD      LYS  36 -12.603   6.771   2.301
  271    HE2  LYS  36           2HE      LYS  36  -9.590   6.458   2.136
  272    HE3  LYS  36           1HE      LYS  36 -10.494   7.907   1.694
  273    HZ1  LYS  36           3HZ      LYS  36 -10.369   8.518   3.804
  274    HZ2  LYS  36           1HZ      LYS  36  -9.656   7.049   4.254
  275    HZ3  LYS  36           2HZ      LYS  36 -11.349   7.196   4.225
  276    H    TYR  37           H        TYR  37 -13.432   0.577   2.482
  277    HA   TYR  37           HA       TYR  37 -16.391   0.895   3.081
  278    HB2  TYR  37           2HB      TYR  37 -14.917  -0.704   0.975
  279    HB3  TYR  37           1HB      TYR  37 -16.633  -0.923   1.320
  280    HD1  TYR  37           1HD      TYR  37 -18.137   1.175   1.260
  281    HD2  TYR  37           2HD      TYR  37 -14.213   1.026  -0.483
  282    HE1  TYR  37           1HE      TYR  37 -18.691   3.138  -0.151
  283    HE2  TYR  37           2HE      TYR  37 -14.766   2.993  -1.892
  284    HH   TYR  37           HH       TYR  37 -17.994   4.511  -1.742
  285    H    LEU  38           H        LEU  38 -13.989  -0.236   4.706
  286    HA   LEU  38           HA       LEU  38 -13.900  -1.819   6.433
  287    HB2  LEU  38           2HB      LEU  38 -16.515  -1.563   6.221
  288    HB3  LEU  38           1HB      LEU  38 -16.417  -3.129   5.428
  289    HG   LEU  38           HG       LEU  38 -14.823  -3.110   7.878
  290   HD11  LEU  38          1HD1      LEU  38 -16.557  -1.415   8.530
  291   HD12  LEU  38          2HD1      LEU  38 -16.615  -2.890   9.493
  292   HD13  LEU  38          3HD1      LEU  38 -17.797  -2.629   8.211
  293   HD21  LEU  38          3HD2      LEU  38 -17.185  -4.701   6.837
  294   HD22  LEU  38          1HD2      LEU  38 -16.364  -5.068   8.355
  295   HD23  LEU  38          2HD2      LEU  38 -15.486  -5.173   6.829
  296    H    PHE  39           H        PHE  39 -15.129  -3.134   3.349
  297    HA   PHE  39           HA       PHE  39 -14.612  -5.581   2.889
  298    HB2  PHE  39           2HB      PHE  39 -14.126  -3.570   1.251
  299    HB3  PHE  39           1HB      PHE  39 -12.449  -3.988   1.566
  300    HD1  PHE  39           2HD      PHE  39 -15.694  -5.760   0.861
  301    HD2  PHE  39           1HD      PHE  39 -11.470  -5.515   0.108
  302    HE1  PHE  39           2HE      PHE  39 -15.869  -7.647  -0.738
  303    HE2  PHE  39           1HE      PHE  39 -11.648  -7.398  -1.492
  304    HZ   PHE  39           HZ       PHE  39 -13.846  -8.464  -1.917
  305    H    THR  40           H        THR  40 -11.396  -4.356   2.619
  306    HA   THR  40           HA       THR  40  -9.374  -5.391   3.312
  307    HB   THR  40           HB       THR  40  -9.030  -5.084   5.697
  308    HG1  THR  40           1HG      THR  40 -10.693  -5.851   6.769
  309   HG21  THR  40          3HG2      THR  40  -9.119  -2.844   5.414
  310   HG22  THR  40          1HG2      THR  40 -10.878  -2.869   5.533
  311   HG23  THR  40          2HG2      THR  40 -10.101  -3.106   3.971
  312    H    GLY  41           H        GLY  41  -9.115  -6.958   5.807
  313    HA2  GLY  41           2HA      GLY  41  -9.656  -9.124   6.682
  314    HA3  GLY  41           1HA      GLY  41 -10.720  -9.395   5.303
  315    H    GLU  42           H        GLU  42  -7.254  -8.970   6.064
  316    HA   GLU  42           HA       GLU  42  -5.357  -9.743   4.911
  317    HB2  GLU  42           2HB      GLU  42  -5.674 -12.379   4.492
  318    HB3  GLU  42           1HB      GLU  42  -5.413 -11.708   6.096
  319    HG2  GLU  42           2HG      GLU  42  -8.178 -12.150   4.962
  320    HG3  GLU  42           1HG      GLU  42  -7.327 -13.373   5.886
  321    H    CYS  43           H        CYS  43  -4.515  -9.975   2.833
  322    HA   CYS  43           HA       CYS  43  -6.290  -9.504   0.645
  323    HB2  CYS  43           2HB      CYS  43  -4.259  -8.932  -0.164
  324    HB3  CYS  43           1HB      CYS  43  -3.412  -9.905   0.997
  325    HXT  CYS  43           2HT      CYS  43  -7.745 -11.069   0.354
  Start of MODEL   16
    1    H1   CYS   1           1H       CYS   1   5.642  -9.171  -1.316
    2    H2   CYS   1           2H       CYS   1   4.430 -10.237  -0.848
    3    H3   CYS   1           3H       CYS   1   4.602  -9.818  -2.467
    4    HA   CYS   1           HA       CYS   1   4.005  -7.541  -1.981
    5    HB2  CYS   1           2HB      CYS   1   1.670  -7.929  -1.659
    6    HB3  CYS   1           1HB      CYS   1   2.267  -9.355  -2.491
    7    H    GLY   2           H        GLY   2   3.928  -5.906  -0.428
    8    HA2  GLY   2           2HA      GLY   2   4.754  -6.605   2.275
    9    HA3  GLY   2           1HA      GLY   2   4.386  -4.979   1.700
   10    H    SER   3           H        SER   3   3.531  -6.309   4.214
   11    HA   SER   3           HA       SER   3   0.564  -6.372   3.813
   12    HB2  SER   3           2HB      SER   3   2.040  -7.338   6.266
   13    HB3  SER   3           1HB      SER   3   0.405  -7.740   5.747
   14    HG   SER   3           HG       SER   3   1.761  -9.431   5.205
   15    H    LYS   4           H        LYS   4  -0.158  -5.908   6.490
   16    HA   LYS   4           HA       LYS   4  -0.206  -3.071   6.629
   17    HB2  LYS   4           2HB      LYS   4  -1.917  -4.089   7.858
   18    HB3  LYS   4           1HB      LYS   4  -0.850  -5.316   8.520
   19    HG2  LYS   4           2HG      LYS   4   0.082  -3.771  10.098
   20    HG3  LYS   4           1HG      LYS   4  -0.691  -2.394   9.312
   21    HD2  LYS   4           2HD      LYS   4  -2.872  -3.140  10.090
   22    HD3  LYS   4           1HD      LYS   4  -2.232  -4.692  10.547
   23    HE2  LYS   4           2HE      LYS   4  -2.459  -2.246  12.047
   24    HE3  LYS   4           1HE      LYS   4  -1.886  -3.818  12.601
   25    HZ1  LYS   4           3HZ      LYS   4   0.295  -3.290  12.119
   26    HZ2  LYS   4           1HZ      LYS   4  -0.307  -1.817  12.705
   27    HZ3  LYS   4           2HZ      LYS   4  -0.122  -2.051  11.034
   28    H    ARG   5           H        ARG   5   2.371  -3.361   6.172
   29    HA   ARG   5           HA       ARG   5   3.937  -1.794   7.514
   30    HB2  ARG   5           2HB      ARG   5   4.870  -2.778   9.567
   31    HB3  ARG   5           1HB      ARG   5   3.141  -2.536   9.730
   32    HG2  ARG   5           2HG      ARG   5   2.854  -4.994   9.078
   33    HG3  ARG   5           1HG      ARG   5   4.598  -5.142   9.209
   34    HD2  ARG   5           2HD      ARG   5   4.532  -4.421  11.538
   35    HD3  ARG   5           1HD      ARG   5   2.788  -4.182  11.437
   36    HE   ARG   5           HE       ARG   5   4.181  -6.789  11.540
   37   HH11  ARG   5          1HH2      ARG   5   1.299  -4.943  11.068
   38   HH12  ARG   5          2HH2      ARG   5   0.240  -6.289  11.328
   39   HH21  ARG   5          2HH1      ARG   5   2.806  -8.554  11.865
   40   HH22  ARG   5          1HH1      ARG   5   1.092  -8.327  11.775
   41    H    ALA   6           H        ALA   6   4.740  -2.456   5.377
   42    HA   ALA   6           HA       ALA   6   7.200  -3.936   5.624
   43    HB1  ALA   6           1HB      ALA   6   5.079  -5.347   4.004
   44    HB2  ALA   6           2HB      ALA   6   5.482  -5.806   5.653
   45    HB3  ALA   6           3HB      ALA   6   6.699  -5.928   4.383
   46    H    TRP   7           H        TRP   7   8.495  -3.711   3.814
   47    HA   TRP   7           HA       TRP   7   8.223  -1.508   2.161
   48    HB2  TRP   7           2HB      TRP   7  10.351  -2.541   2.346
   49    HB3  TRP   7           1HB      TRP   7   9.737  -4.083   1.753
   50    HD1  TRP   7           HD       TRP   7  10.024  -0.441   0.445
   51    HE1  TRP   7           1HE      TRP   7  10.589  -0.551  -2.072
   52    HE3  TRP   7           3HE      TRP   7  10.018  -5.496  -0.234
   53    HZ2  TRP   7           2HZ      TRP   7  10.987  -2.532  -4.101
   54    HZ3  TRP   7           3HZ      TRP   7  10.494  -6.471  -2.459
   55    HH2  TRP   7           HH       TRP   7  10.979  -4.999  -4.393
   56    H    CYS   8           H        CYS   8   7.686  -1.158   0.020
   57    HA   CYS   8           HA       CYS   8   5.771  -3.140  -1.206
   58    HB2  CYS   8           2HB      CYS   8   5.543  -0.275  -0.556
   59    HB3  CYS   8           1HB      CYS   8   5.137  -0.627  -2.229
   60    H    LYS   9           H        LYS   9   5.811  -3.207  -3.571
   61    HA   LYS   9           HA       LYS   9   8.319  -2.089  -4.766
   62    HB2  LYS   9           2HB      LYS   9   8.313  -4.521  -4.842
   63    HB3  LYS   9           1HB      LYS   9   6.700  -4.533  -5.545
   64    HG2  LYS   9           2HG      LYS   9   8.389  -4.896  -7.287
   65    HG3  LYS   9           1HG      LYS   9   7.572  -3.358  -7.547
   66    HD2  LYS   9           2HD      LYS   9   9.425  -2.117  -6.695
   67    HD3  LYS   9           1HD      LYS   9  10.174  -3.564  -6.021
   68    HE2  LYS   9           2HE      LYS   9   9.674  -3.239  -8.983
   69    HE3  LYS   9           1HE      LYS   9  11.166  -2.696  -8.216
   70    HZ1  LYS   9           3HZ      LYS   9  10.404  -5.355  -7.458
   71    HZ2  LYS   9           1HZ      LYS   9  11.896  -4.774  -8.014
   72    HZ3  LYS   9           2HZ      LYS   9  10.686  -5.202  -9.126
   73    H    GLU  10           H        GLU  10   4.841  -2.354  -5.056
   74    HA   GLU  10           HA       GLU  10   4.687  -0.012  -6.731
   75    HB2  GLU  10           2HB      GLU  10   5.296  -1.919  -8.366
   76    HB3  GLU  10           1HB      GLU  10   3.662  -2.491  -8.112
   77    HG2  GLU  10           2HG      GLU  10   3.465   0.306  -8.577
   78    HG3  GLU  10           1HG      GLU  10   4.599  -0.306  -9.777
   79    H    LYS  11           H        LYS  11   2.247  -0.166  -7.754
   80    HA   LYS  11           HA       LYS  11   0.571   0.040  -5.426
   81    HB2  LYS  11           2HB      LYS  11   0.181   1.336  -7.480
   82    HB3  LYS  11           1HB      LYS  11  -0.323  -0.135  -8.314
   83    HG2  LYS  11           2HG      LYS  11  -2.147  -0.463  -6.727
   84    HG3  LYS  11           1HG      LYS  11  -1.619   0.932  -5.787
   85    HD2  LYS  11           2HD      LYS  11  -2.356   1.153  -8.713
   86    HD3  LYS  11           1HD      LYS  11  -3.559   1.314  -7.435
   87    HE2  LYS  11           2HE      LYS  11  -1.328   2.960  -6.719
   88    HE3  LYS  11           1HE      LYS  11  -1.732   3.301  -8.401
   89    HZ1  LYS  11           3HZ      LYS  11  -3.748   3.201  -6.230
   90    HZ2  LYS  11           1HZ      LYS  11  -3.965   3.763  -7.814
   91    HZ3  LYS  11           2HZ      LYS  11  -2.985   4.633  -6.732
   92    H    LYS  12           H        LYS  12   0.534  -2.444  -8.082
   93    HA   LYS  12           HA       LYS  12  -1.461  -4.005  -6.580
   94    HB2  LYS  12           2HB      LYS  12  -1.483  -3.936  -9.080
   95    HB3  LYS  12           1HB      LYS  12   0.063  -4.787  -9.086
   96    HG2  LYS  12           2HG      LYS  12  -0.934  -6.692  -7.930
   97    HG3  LYS  12           1HG      LYS  12  -2.470  -5.838  -7.784
   98    HD2  LYS  12           2HD      LYS  12  -2.647  -5.771 -10.257
   99    HD3  LYS  12           1HD      LYS  12  -1.129  -6.663 -10.377
  100    HE2  LYS  12           2HE      LYS  12  -2.111  -8.553  -9.160
  101    HE3  LYS  12           1HE      LYS  12  -3.618  -7.661  -8.959
  102    HZ1  LYS  12           3HZ      LYS  12  -3.566  -9.283 -10.845
  103    HZ2  LYS  12           1HZ      LYS  12  -2.447  -8.263 -11.613
  104    HZ3  LYS  12           2HZ      LYS  12  -4.011  -7.698 -11.264
  105    H    ASP  13           H        ASP  13   1.883  -3.661  -6.554
  106    HA   ASP  13           HA       ASP  13   2.649  -6.365  -5.958
  107    HB2  ASP  13           2HB      ASP  13   3.864  -3.645  -5.733
  108    HB3  ASP  13           1HB      ASP  13   4.643  -4.994  -4.936
  109    H    CYS  14           H        CYS  14   0.761  -4.203  -4.225
  110    HA   CYS  14           HA       CYS  14   1.833  -4.901  -1.566
  111    HB2  CYS  14           2HB      CYS  14   0.685  -2.677  -2.068
  112    HB3  CYS  14           1HB      CYS  14  -0.815  -3.570  -2.183
  113    H    CYS  15           H        CYS  15   0.708  -6.252  -0.065
  114    HA   CYS  15           HA       CYS  15  -0.472  -8.569  -1.117
  115    HB2  CYS  15           2HB      CYS  15  -0.813  -7.354   1.633
  116    HB3  CYS  15           1HB      CYS  15  -1.079  -9.030   1.197
  117    H    CYS  16           H        CYS  16  -2.648  -9.224  -1.266
  118    HA   CYS  16           HA       CYS  16  -4.546  -7.357  -2.156
  119    HB2  CYS  16           2HB      CYS  16  -4.466 -10.174  -1.527
  120    HB3  CYS  16           1HB      CYS  16  -5.977  -9.494  -0.945
  121    H    GLY  17           H        GLY  17  -5.953  -5.988  -1.122
  122    HA2  GLY  17           2HA      GLY  17  -7.360  -5.269   0.697
  123    HA3  GLY  17           1HA      GLY  17  -6.491  -6.362   1.774
  124    H    TYR  18           H        TYR  18  -4.146  -4.922  -0.053
  125    HA   TYR  18           HA       TYR  18  -3.956  -2.530   1.806
  126    HB2  TYR  18           2HB      TYR  18  -1.822  -4.582   1.213
  127    HB3  TYR  18           1HB      TYR  18  -1.483  -3.010   1.936
  128    HD1  TYR  18           1HD      TYR  18  -2.655  -2.394   4.085
  129    HD2  TYR  18           2HD      TYR  18  -2.573  -6.378   2.517
  130    HE1  TYR  18           1HE      TYR  18  -3.191  -3.286   6.335
  131    HE2  TYR  18           2HE      TYR  18  -3.095  -7.280   4.768
  132    HH   TYR  18           HH       TYR  18  -3.043  -6.696   7.041
  133    H    ASN  19           H        ASN  19  -2.801  -0.762   0.945
  134    HA   ASN  19           HA       ASN  19  -2.374  -0.858  -2.017
  135    HB2  ASN  19           2HB      ASN  19  -4.073   0.771  -1.294
  136    HB3  ASN  19           1HB      ASN  19  -2.914   1.498  -0.178
  137   HD21  ASN  19          1HD2      ASN  19  -2.092   3.397  -1.043
  138   HD22  ASN  19          2HD2      ASN  19  -1.725   3.650  -2.681
  139    H    CYS  20           H        CYS  20  -0.357  -0.024  -2.832
  140    HA   CYS  20           HA       CYS  20   1.799   0.028  -0.829
  141    HB2  CYS  20           2HB      CYS  20   1.574  -0.288  -3.768
  142    HB3  CYS  20           1HB      CYS  20   3.077   0.322  -3.149
  143    H    VAL  21           H        VAL  21   2.945   1.880  -0.316
  144    HA   VAL  21           HA       VAL  21   2.300   4.368  -1.843
  145    HB   VAL  21           HB       VAL  21   2.160   3.941   1.144
  146   HG11  VAL  21          1HG1      VAL  21   3.340   5.971   1.045
  147   HG12  VAL  21          2HG1      VAL  21   1.660   6.508   1.062
  148   HG13  VAL  21          3HG1      VAL  21   2.558   6.462  -0.456
  149   HG21  VAL  21          3HG2      VAL  21   0.178   3.601  -0.522
  150   HG22  VAL  21          1HG2      VAL  21   0.181   5.360  -0.631
  151   HG23  VAL  21          2HG2      VAL  21  -0.090   4.574   0.922
  152    H    TYR  22           H        TYR  22   3.979   5.732  -2.205
  153    HA   TYR  22           HA       TYR  22   6.684   4.773  -1.657
  154    HB2  TYR  22           2HB      TYR  22   5.728   6.424  -3.474
  155    HB3  TYR  22           1HB      TYR  22   6.021   7.652  -2.249
  156    HD1  TYR  22           2HD      TYR  22   8.503   6.410  -0.986
  157    HD2  TYR  22           1HD      TYR  22   7.375   6.999  -5.082
  158    HE1  TYR  22           2HE      TYR  22  10.891   6.509  -1.623
  159    HE2  TYR  22           1HE      TYR  22   9.767   7.093  -5.727
  160    HH   TYR  22           HH       TYR  22  12.036   6.056  -4.532
  161    H    ALA  23           H        ALA  23   7.243   4.610   0.483
  162    HA   ALA  23           HA       ALA  23   6.568   6.768   2.404
  163    HB1  ALA  23           1HB      ALA  23   7.364   3.906   2.571
  164    HB2  ALA  23           2HB      ALA  23   6.212   4.808   3.553
  165    HB3  ALA  23           3HB      ALA  23   7.938   4.947   3.871
  166    H    TRP  24           H        TRP  24   8.773   6.492   4.070
  167    HA   TRP  24           HA       TRP  24  10.594   8.100   4.113
  168    HB2  TRP  24           2HB      TRP  24  11.096   5.314   3.750
  169    HB3  TRP  24           1HB      TRP  24  12.357   6.188   2.895
  170    HD1  TRP  24           HD       TRP  24  11.560   8.466   5.533
  171    HE1  TRP  24           1HE      TRP  24  13.060   8.137   7.594
  172    HE3  TRP  24           3HE      TRP  24  13.445   3.829   4.520
  173    HZ2  TRP  24           2HZ      TRP  24  14.824   6.158   8.689
  174    HZ3  TRP  24           3HZ      TRP  24  15.026   2.745   6.087
  175    HH2  TRP  24           HH       TRP  24  15.717   3.900   8.170
  176    H    TYR  25           H        TYR  25  10.297   9.794   2.757
  177    HA   TYR  25           HA       TYR  25  10.276   9.802  -0.065
  178    HB2  TYR  25           2HB      TYR  25  10.737  12.117   0.071
  179    HB3  TYR  25           1HB      TYR  25   9.941  11.730   1.593
  180    HD1  TYR  25           2HD      TYR  25  12.047  10.503   3.231
  181    HD2  TYR  25           1HD      TYR  25  12.304  13.795   0.474
  182    HE1  TYR  25           2HE      TYR  25  13.995  11.387   4.466
  183    HE2  TYR  25           1HE      TYR  25  14.262  14.671   1.714
  184    HH   TYR  25           HH       TYR  25  16.039  13.762   3.232
  185    H    ASN  26           H        ASN  26  12.723   8.470   1.629
  186    HA   ASN  26           HA       ASN  26  14.983   9.516   0.098
  187    HB2  ASN  26           2HB      ASN  26  14.992   6.930   1.646
  188    HB3  ASN  26           1HB      ASN  26  16.296   8.091   1.418
  189   HD21  ASN  26          1HD2      ASN  26  12.930   8.227   2.716
  190   HD22  ASN  26          2HD2      ASN  26  13.350   9.112   4.101
  191    H    GLN  27           H        GLN  27  13.366   6.328   0.326
  192    HA   GLN  27           HA       GLN  27  13.020   5.868  -2.390
  193    HB2  GLN  27           2HB      GLN  27  15.081   5.528  -3.259
  194    HB3  GLN  27           1HB      GLN  27  15.803   5.838  -1.690
  195    HG2  GLN  27           2HG      GLN  27  14.762   3.123  -2.546
  196    HG3  GLN  27           1HG      GLN  27  16.437   3.636  -2.688
  197   HE21  GLN  27          1HE2      GLN  27  14.733   4.934   0.051
  198   HE22  GLN  27          2HE2      GLN  27  15.432   3.924   1.223
  199    H    GLN  28           H        GLN  28  11.805   5.265   0.117
  200    HA   GLN  28           HA       GLN  28  11.846   2.260   0.079
  201    HB2  GLN  28           2HB      GLN  28  12.694   3.447   2.181
  202    HB3  GLN  28           1HB      GLN  28  11.039   3.993   2.407
  203    HG2  GLN  28           2HG      GLN  28  11.215   2.013   3.703
  204    HG3  GLN  28           1HG      GLN  28  10.352   1.533   2.243
  205   HE21  GLN  28          1HE2      GLN  28  11.088  -0.582   1.871
  206   HE22  GLN  28          2HE2      GLN  28  12.725  -1.015   1.753
  207    H    SER  29           H        SER  29   9.790   1.232   0.499
  208    HA   SER  29           HA       SER  29   7.379   2.944   0.097
  209    HB2  SER  29           2HB      SER  29   7.643   0.250  -1.198
  210    HB3  SER  29           1HB      SER  29   6.521   1.544  -1.568
  211    HG   SER  29           HG       SER  29   8.630   2.735  -2.026
  212    H    SER  30           H        SER  30   5.465   2.054   1.128
  213    HA   SER  30           HA       SER  30   5.855  -0.400   2.669
  214    HB2  SER  30           2HB      SER  30   6.533   1.475   4.151
  215    HB3  SER  30           1HB      SER  30   4.937   2.186   3.932
  216    HG   SER  30           HG       SER  30   4.051   0.321   4.869
  217    H    CYS  31           H        CYS  31   4.004  -1.611   2.849
  218    HA   CYS  31           HA       CYS  31   1.702  -0.897   1.277
  219    HB2  CYS  31           2HB      CYS  31   2.469  -3.144   3.076
  220    HB3  CYS  31           1HB      CYS  31   0.745  -2.912   2.788
  221    H    GLU  32           H        GLU  32  -0.340  -0.171   1.959
  222    HA   GLU  32           HA       GLU  32  -0.785   0.349   4.830
  223    HB2  GLU  32           2HB      GLU  32  -0.561   2.611   4.754
  224    HB3  GLU  32           1HB      GLU  32   0.294   2.357   3.237
  225    HG2  GLU  32           2HG      GLU  32  -1.775   2.637   1.978
  226    HG3  GLU  32           1HG      GLU  32  -2.691   2.766   3.477
  227    H    ARG  33           H        ARG  33  -2.967   0.258   5.352
  228    HA   ARG  33           HA       ARG  33  -4.810  -0.936   3.549
  229    HB2  ARG  33           2HB      ARG  33  -6.462  -0.596   5.247
  230    HB3  ARG  33           1HB      ARG  33  -4.939  -0.870   6.088
  231    HG2  ARG  33           2HG      ARG  33  -5.329   1.068   7.191
  232    HG3  ARG  33           1HG      ARG  33  -4.983   1.903   5.679
  233    HD2  ARG  33           2HD      ARG  33  -7.138   2.672   6.391
  234    HD3  ARG  33           1HD      ARG  33  -7.429   1.542   5.070
  235    HE   ARG  33           HE       ARG  33  -8.332  -0.020   6.642
  236   HH11  ARG  33          1HH2      ARG  33  -6.967   2.801   8.098
  237   HH12  ARG  33          2HH2      ARG  33  -7.621   2.467   9.667
  238   HH21  ARG  33          2HH1      ARG  33  -9.180  -0.471   8.692
  239   HH22  ARG  33          1HH1      ARG  33  -8.869   0.617  10.020
  240    H    LYS  34           H        LYS  34  -7.080   0.283   3.076
  241    HA   LYS  34           HA       LYS  34  -7.146   3.064   2.725
  242    HB2  LYS  34           2HB      LYS  34  -5.765   1.549   0.570
  243    HB3  LYS  34           1HB      LYS  34  -6.939   2.748   0.035
  244    HG2  LYS  34           2HG      LYS  34  -5.489   4.110   1.999
  245    HG3  LYS  34           1HG      LYS  34  -4.268   3.135   1.192
  246    HD2  LYS  34           2HD      LYS  34  -4.274   5.055  -0.130
  247    HD3  LYS  34           1HD      LYS  34  -5.379   4.008  -1.015
  248    HE2  LYS  34           2HE      LYS  34  -7.091   5.455  -0.706
  249    HE3  LYS  34           1HE      LYS  34  -6.805   5.518   1.030
  250    HZ1  LYS  34           3HZ      LYS  34  -4.730   6.890  -0.235
  251    HZ2  LYS  34           1HZ      LYS  34  -5.941   7.518   0.774
  252    HZ3  LYS  34           2HZ      LYS  34  -6.189   7.445  -0.905
  253    H    TRP  35           H        TRP  35  -9.318   2.888   3.172
  254    HA   TRP  35           HA       TRP  35 -10.992   1.440   1.151
  255    HB2  TRP  35           2HB      TRP  35 -12.722   1.461   3.101
  256    HB3  TRP  35           1HB      TRP  35 -11.418   0.275   3.125
  257    HD1  TRP  35           HD       TRP  35  -9.373   0.718   4.769
  258    HE1  TRP  35           1HE      TRP  35  -9.192   2.114   6.932
  259    HE3  TRP  35           3HE      TRP  35 -13.585   3.562   4.340
  260    HZ2  TRP  35           2HZ      TRP  35 -10.644   4.165   8.297
  261    HZ3  TRP  35           3HZ      TRP  35 -14.164   5.230   6.080
  262    HH2  TRP  35           HH       TRP  35 -12.700   5.533   8.058
  263    H    LYS  36           H        LYS  36 -13.234   2.426   0.978
  264    HA   LYS  36           HA       LYS  36 -14.681   4.252   0.709
  265    HB2  LYS  36           2HB      LYS  36 -14.583   5.857   2.296
  266    HB3  LYS  36           1HB      LYS  36 -13.085   5.144   2.862
  267    HG2  LYS  36           2HG      LYS  36 -11.816   6.569   1.275
  268    HG3  LYS  36           1HG      LYS  36 -13.326   7.301   0.741
  269    HD2  LYS  36           2HD      LYS  36 -12.495   7.316   3.644
  270    HD3  LYS  36           1HD      LYS  36 -12.003   8.585   2.525
  271    HE2  LYS  36           2HE      LYS  36 -14.471   8.871   1.951
  272    HE3  LYS  36           1HE      LYS  36 -14.823   7.825   3.327
  273    HZ1  LYS  36           3HZ      LYS  36 -13.993   9.354   4.816
  274    HZ2  LYS  36           1HZ      LYS  36 -14.754  10.352   3.673
  275    HZ3  LYS  36           2HZ      LYS  36 -13.065  10.166   3.646
  276    H    TYR  37           H        TYR  37 -11.539   3.850  -0.400
  277    HA   TYR  37           HA       TYR  37 -11.441   6.203  -2.168
  278    HB2  TYR  37           2HB      TYR  37  -9.537   5.108  -3.197
  279    HB3  TYR  37           1HB      TYR  37  -9.429   4.869  -1.454
  280    HD1  TYR  37           2HD      TYR  37 -10.262   2.680  -0.467
  281    HD2  TYR  37           1HD      TYR  37  -9.678   3.250  -4.681
  282    HE1  TYR  37           2HE      TYR  37 -10.253   0.222  -0.794
  283    HE2  TYR  37           1HE      TYR  37  -9.664   0.793  -5.009
  284    HH   TYR  37           HH       TYR  37  -9.910  -1.193  -4.048
  285    H    LEU  38           H        LEU  38 -13.953   5.224  -2.483
  286    HA   LEU  38           HA       LEU  38 -15.335   5.069  -4.433
  287    HB2  LEU  38           2HB      LEU  38 -12.927   3.672  -5.609
  288    HB3  LEU  38           1HB      LEU  38 -14.460   3.851  -6.441
  289    HG   LEU  38           HG       LEU  38 -12.932   6.217  -5.344
  290   HD11  LEU  38          1HD1      LEU  38 -11.393   5.418  -6.911
  291   HD12  LEU  38          2HD1      LEU  38 -12.391   6.479  -7.903
  292   HD13  LEU  38          3HD1      LEU  38 -12.647   4.734  -7.946
  293   HD21  LEU  38          3HD2      LEU  38 -15.514   5.858  -6.556
  294   HD22  LEU  38          1HD2      LEU  38 -14.504   6.760  -7.684
  295   HD23  LEU  38          2HD2      LEU  38 -14.751   7.361  -6.047
  296    H    PHE  39           H        PHE  39 -16.914   3.520  -4.580
  297    HA   PHE  39           HA       PHE  39 -16.845   1.251  -2.866
  298    HB2  PHE  39           2HB      PHE  39 -18.701   2.392  -4.849
  299    HB3  PHE  39           1HB      PHE  39 -18.817   0.642  -4.726
  300    HD1  PHE  39           2HD      PHE  39 -18.452  -0.068  -2.008
  301    HD2  PHE  39           1HD      PHE  39 -20.338   3.459  -3.581
  302    HE1  PHE  39           2HE      PHE  39 -19.765   0.163   0.081
  303    HE2  PHE  39           1HE      PHE  39 -21.656   3.683  -1.493
  304    HZ   PHE  39           HZ       PHE  39 -21.368   2.036   0.338
  305    H    THR  40           H        THR  40 -14.507   1.048  -4.442
  306    HA   THR  40           HA       THR  40 -14.937  -0.832  -6.621
  307    HB   THR  40           HB       THR  40 -12.414  -1.181  -6.375
  308    HG1  THR  40           1HG      THR  40 -12.718   0.985  -4.577
  309   HG21  THR  40          3HG2      THR  40 -13.651   0.574  -7.830
  310   HG22  THR  40          1HG2      THR  40 -11.932   0.817  -7.521
  311   HG23  THR  40          2HG2      THR  40 -13.131   1.732  -6.610
  312    H    GLY  41           H        GLY  41 -13.916  -3.063  -6.538
  313    HA2  GLY  41           2HA      GLY  41 -15.118  -4.646  -4.528
  314    HA3  GLY  41           1HA      GLY  41 -13.802  -5.197  -5.567
  315    H    GLU  42           H        GLU  42 -13.418  -6.298  -3.300
  316    HA   GLU  42           HA       GLU  42 -11.397  -4.620  -1.885
  317    HB2  GLU  42           2HB      GLU  42 -12.184  -5.499   0.282
  318    HB3  GLU  42           1HB      GLU  42 -13.457  -4.589  -0.530
  319    HG2  GLU  42           2HG      GLU  42 -13.549  -7.378  -1.346
  320    HG3  GLU  42           1HG      GLU  42 -13.607  -7.254   0.410
  321    H    CYS  43           H        CYS  43  -9.917  -6.031  -0.549
  322    HA   CYS  43           HA       CYS  43  -9.800  -8.858  -1.434
  323    HB2  CYS  43           2HB      CYS  43  -8.321  -6.935  -2.763
  324    HB3  CYS  43           1HB      CYS  43  -7.177  -7.521  -1.563
  325    HXT  CYS  43           2HT      CYS  43 -10.389  -7.784   0.888
  Start of MODEL   17
    1    H1   CYS   1           1H       CYS   1   5.356  -9.771  -1.061
    2    H2   CYS   1           2H       CYS   1   4.241 -10.779  -0.309
    3    H3   CYS   1           3H       CYS   1   4.260 -10.651  -1.985
    4    HA   CYS   1           HA       CYS   1   3.592  -8.335  -1.849
    5    HB2  CYS   1           2HB      CYS   1   1.309  -8.731  -1.174
    6    HB3  CYS   1           1HB      CYS   1   1.874 -10.210  -1.935
    7    H    GLY   2           H        GLY   2   3.941  -6.491  -0.583
    8    HA2  GLY   2           2HA      GLY   2   4.608  -6.851   2.241
    9    HA3  GLY   2           1HA      GLY   2   4.493  -5.308   1.394
   10    H    SER   3           H        SER   3   3.112  -6.976   3.838
   11    HA   SER   3           HA       SER   3   0.322  -6.092   3.266
   12    HB2  SER   3           2HB      SER   3   1.357  -7.667   5.642
   13    HB3  SER   3           1HB      SER   3  -0.320  -7.473   5.144
   14    HG   SER   3           HG       SER   3   1.562  -8.521   3.345
   15    H    LYS   4           H        LYS   4  -0.753  -5.143   5.427
   16    HA   LYS   4           HA       LYS   4  -0.032  -2.629   6.032
   17    HB2  LYS   4           2HB      LYS   4  -1.713  -3.188   7.488
   18    HB3  LYS   4           1HB      LYS   4  -1.111  -4.827   7.693
   19    HG2  LYS   4           2HG      LYS   4   0.807  -3.288   9.011
   20    HG3  LYS   4           1HG      LYS   4  -0.691  -2.445   9.374
   21    HD2  LYS   4           2HD      LYS   4  -1.606  -4.261  10.509
   22    HD3  LYS   4           1HD      LYS   4  -0.627  -5.438   9.640
   23    HE2  LYS   4           2HE      LYS   4   1.335  -4.047  10.922
   24    HE3  LYS   4           1HE      LYS   4   0.018  -3.891  12.085
   25    HZ1  LYS   4           3HZ      LYS   4  -0.278  -6.291  12.008
   26    HZ2  LYS   4           1HZ      LYS   4   1.299  -5.890  12.488
   27    HZ3  LYS   4           2HZ      LYS   4   1.005  -6.430  10.904
   28    H    ARG   5           H        ARG   5   1.839  -1.580   6.656
   29    HA   ARG   5           HA       ARG   5   4.042  -1.293   7.435
   30    HB2  ARG   5           2HB      ARG   5   3.113  -1.969   9.584
   31    HB3  ARG   5           1HB      ARG   5   3.205  -3.661   9.128
   32    HG2  ARG   5           2HG      ARG   5   5.738  -3.272   8.870
   33    HG3  ARG   5           1HG      ARG   5   5.463  -1.772   9.747
   34    HD2  ARG   5           2HD      ARG   5   6.111  -3.612  11.271
   35    HD3  ARG   5           1HD      ARG   5   4.486  -3.021  11.622
   36    HE   ARG   5           HE       ARG   5   3.864  -5.055   9.992
   37   HH11  ARG   5          1HH2      ARG   5   6.282  -4.863  12.442
   38   HH12  ARG   5          2HH2      ARG   5   6.206  -6.551  12.814
   39   HH21  ARG   5          2HH1      ARG   5   3.750  -7.232  10.469
   40   HH22  ARG   5          1HH1      ARG   5   4.774  -7.894  11.700
   41    H    ALA   6           H        ALA   6   4.762  -1.969   5.239
   42    HA   ALA   6           HA       ALA   6   6.780  -3.953   5.274
   43    HB1  ALA   6           1HB      ALA   6   4.964  -5.602   5.410
   44    HB2  ALA   6           2HB      ALA   6   5.783  -5.717   3.857
   45    HB3  ALA   6           3HB      ALA   6   4.218  -4.916   3.969
   46    H    TRP   7           H        TRP   7   8.112  -3.453   3.665
   47    HA   TRP   7           HA       TRP   7   7.859  -1.398   1.831
   48    HB2  TRP   7           2HB      TRP   7  10.015  -2.217   2.003
   49    HB3  TRP   7           1HB      TRP   7   9.488  -3.897   1.985
   50    HD1  TRP   7           HD       TRP   7   9.262  -0.968  -0.544
   51    HE1  TRP   7           1HE      TRP   7   9.932  -1.889  -2.866
   52    HE3  TRP   7           3HE      TRP   7  10.262  -5.815   0.693
   53    HZ2  TRP   7           2HZ      TRP   7  10.807  -4.366  -4.027
   54    HZ3  TRP   7           3HZ      TRP   7  11.025  -7.430  -1.025
   55    HH2  TRP   7           HH       TRP   7  11.298  -6.712  -3.381
   56    H    CYS   8           H        CYS   8   6.835  -1.080  -0.063
   57    HA   CYS   8           HA       CYS   8   5.393  -3.420  -1.332
   58    HB2  CYS   8           2HB      CYS   8   3.810  -1.717  -2.190
   59    HB3  CYS   8           1HB      CYS   8   3.911  -1.614  -0.439
   60    H    LYS   9           H        LYS   9   5.939  -3.797  -3.521
   61    HA   LYS   9           HA       LYS   9   8.071  -2.096  -4.673
   62    HB2  LYS   9           2HB      LYS   9   7.956  -4.721  -4.690
   63    HB3  LYS   9           1HB      LYS   9   6.888  -4.493  -6.069
   64    HG2  LYS   9           2HG      LYS   9   9.337  -2.852  -6.224
   65    HG3  LYS   9           1HG      LYS   9   9.664  -4.580  -6.186
   66    HD2  LYS   9           2HD      LYS   9   8.476  -4.986  -8.165
   67    HD3  LYS   9           1HD      LYS   9   7.547  -3.501  -8.024
   68    HE2  LYS   9           2HE      LYS   9   9.803  -2.278  -8.316
   69    HE3  LYS   9           1HE      LYS   9  10.411  -3.834  -8.884
   70    HZ1  LYS   9           3HZ      LYS   9   9.626  -3.164 -10.850
   71    HZ2  LYS   9           1HZ      LYS   9   8.631  -1.970 -10.174
   72    HZ3  LYS   9           2HZ      LYS   9   8.097  -3.581 -10.239
   73    H    GLU  10           H        GLU  10   4.711  -3.002  -5.323
   74    HA   GLU  10           HA       GLU  10   4.447  -0.626  -7.080
   75    HB2  GLU  10           2HB      GLU  10   2.970  -2.970  -8.125
   76    HB3  GLU  10           1HB      GLU  10   3.803  -1.695  -9.002
   77    HG2  GLU  10           2HG      GLU  10   5.803  -2.844  -9.043
   78    HG3  GLU  10           1HG      GLU  10   5.458  -3.714  -7.552
   79    H    LYS  11           H        LYS  11   1.996  -0.552  -7.751
   80    HA   LYS  11           HA       LYS  11   0.419  -0.293  -5.391
   81    HB2  LYS  11           2HB      LYS  11  -0.022   1.006  -7.405
   82    HB3  LYS  11           1HB      LYS  11  -0.356  -0.465  -8.315
   83    HG2  LYS  11           2HG      LYS  11  -2.362  -0.881  -7.110
   84    HG3  LYS  11           1HG      LYS  11  -1.945   0.293  -5.860
   85    HD2  LYS  11           2HD      LYS  11  -3.625   1.256  -7.357
   86    HD3  LYS  11           1HD      LYS  11  -2.096   2.110  -7.554
   87    HE2  LYS  11           2HE      LYS  11  -3.215   1.566  -9.729
   88    HE3  LYS  11           1HE      LYS  11  -1.603   0.872  -9.585
   89    HZ1  LYS  11           3HZ      LYS  11  -3.971  -0.676  -8.763
   90    HZ2  LYS  11           1HZ      LYS  11  -2.447  -1.236  -9.255
   91    HZ3  LYS  11           2HZ      LYS  11  -3.527  -0.596 -10.400
   92    H    LYS  12           H        LYS  12   0.514  -2.836  -7.891
   93    HA   LYS  12           HA       LYS  12  -1.537  -4.422  -6.522
   94    HB2  LYS  12           2HB      LYS  12  -0.479  -6.071  -8.402
   95    HB3  LYS  12           1HB      LYS  12  -1.733  -4.891  -8.760
   96    HG2  LYS  12           2HG      LYS  12  -0.043  -3.266  -9.441
   97    HG3  LYS  12           1HG      LYS  12   1.247  -4.380  -8.983
   98    HD2  LYS  12           2HD      LYS  12   0.521  -5.972 -10.693
   99    HD3  LYS  12           1HD      LYS  12  -0.844  -4.933 -11.108
  100    HE2  LYS  12           2HE      LYS  12   1.281  -4.774 -12.580
  101    HE3  LYS  12           1HE      LYS  12   0.545  -3.268 -12.031
  102    HZ1  LYS  12           3HZ      LYS  12   2.916  -3.222 -11.678
  103    HZ2  LYS  12           1HZ      LYS  12   2.849  -4.654 -10.771
  104    HZ3  LYS  12           2HZ      LYS  12   2.115  -3.241 -10.179
  105    H    ASP  13           H        ASP  13   1.870  -4.067  -6.354
  106    HA   ASP  13           HA       ASP  13   2.520  -6.795  -5.694
  107    HB2  ASP  13           2HB      ASP  13   3.913  -4.349  -6.053
  108    HB3  ASP  13           1HB      ASP  13   4.404  -5.009  -4.496
  109    H    CYS  14           H        CYS  14   0.791  -4.494  -3.877
  110    HA   CYS  14           HA       CYS  14   1.803  -5.488  -1.305
  111    HB2  CYS  14           2HB      CYS  14  -0.304  -3.497  -2.133
  112    HB3  CYS  14           1HB      CYS  14  -0.132  -4.035  -0.484
  113    H    CYS  15           H        CYS  15   0.632  -6.927  -0.027
  114    HA   CYS  15           HA       CYS  15  -0.916  -8.871  -1.315
  115    HB2  CYS  15           2HB      CYS  15  -0.093  -8.301   1.377
  116    HB3  CYS  15           1HB      CYS  15  -1.785  -8.786   1.387
  117    H    CYS  16           H        CYS  16  -3.107  -9.277  -1.417
  118    HA   CYS  16           HA       CYS  16  -4.777  -7.184  -2.140
  119    HB2  CYS  16           2HB      CYS  16  -6.128  -9.485  -0.849
  120    HB3  CYS  16           1HB      CYS  16  -6.315  -8.836  -2.473
  121    H    GLY  17           H        GLY  17  -5.551  -5.563  -1.063
  122    HA2  GLY  17           2HA      GLY  17  -7.011  -4.709   0.728
  123    HA3  GLY  17           1HA      GLY  17  -6.330  -5.919   1.812
  124    H    TYR  18           H        TYR  18  -3.788  -4.865   0.010
  125    HA   TYR  18           HA       TYR  18  -3.239  -2.527   1.859
  126    HB2  TYR  18           2HB      TYR  18  -1.278  -4.715   1.097
  127    HB3  TYR  18           1HB      TYR  18  -0.954  -3.339   2.149
  128    HD1  TYR  18           1HD      TYR  18  -2.157  -3.147   4.359
  129    HD2  TYR  18           2HD      TYR  18  -2.408  -6.650   1.891
  130    HE1  TYR  18           1HE      TYR  18  -3.021  -4.454   6.284
  131    HE2  TYR  18           2HE      TYR  18  -3.268  -7.950   3.815
  132    HH   TYR  18           HH       TYR  18  -3.188  -7.826   6.296
  133    H    ASN  19           H        ASN  19  -2.051  -0.825   0.845
  134    HA   ASN  19           HA       ASN  19  -1.608  -1.183  -2.103
  135    HB2  ASN  19           2HB      ASN  19  -1.988   1.326  -2.204
  136    HB3  ASN  19           1HB      ASN  19  -3.409   0.365  -1.795
  137   HD21  ASN  19          1HD2      ASN  19  -2.047   3.193  -0.935
  138   HD22  ASN  19          2HD2      ASN  19  -2.416   3.232   0.722
  139    H    CYS  20           H        CYS  20   0.039   0.434  -2.977
  140    HA   CYS  20           HA       CYS  20   2.464   0.294  -1.300
  141    HB2  CYS  20           2HB      CYS  20   2.321  -0.309  -3.794
  142    HB3  CYS  20           1HB      CYS  20   2.205   1.412  -4.098
  143    H    VAL  21           H        VAL  21   3.232   2.040  -0.194
  144    HA   VAL  21           HA       VAL  21   2.264   4.759  -0.991
  145    HB   VAL  21           HB       VAL  21   2.798   3.938   1.867
  146   HG11  VAL  21          1HG1      VAL  21   1.295   6.201   0.517
  147   HG12  VAL  21          2HG1      VAL  21   2.742   6.323   1.520
  148   HG13  VAL  21          3HG1      VAL  21   1.201   5.869   2.246
  149   HG21  VAL  21          3HG2      VAL  21   0.217   3.831   1.946
  150   HG22  VAL  21          1HG2      VAL  21   1.061   2.452   1.247
  151   HG23  VAL  21          2HG2      VAL  21   0.300   3.646   0.196
  152    H    TYR  22           H        TYR  22   3.863   6.241  -1.303
  153    HA   TYR  22           HA       TYR  22   6.647   5.327  -1.011
  154    HB2  TYR  22           2HB      TYR  22   5.685   7.015  -2.710
  155    HB3  TYR  22           1HB      TYR  22   5.758   8.191  -1.400
  156    HD1  TYR  22           1HD      TYR  22   7.722   6.057  -3.668
  157    HD2  TYR  22           2HD      TYR  22   7.909   8.952  -0.497
  158    HE1  TYR  22           1HE      TYR  22  10.137   6.390  -4.113
  159    HE2  TYR  22           2HE      TYR  22  10.328   9.281  -0.943
  160    HH   TYR  22           HH       TYR  22  12.223   7.719  -2.056
  161    H    ALA  23           H        ALA  23   7.716   5.293   0.898
  162    HA   ALA  23           HA       ALA  23   6.759   6.980   3.129
  163    HB1  ALA  23           1HB      ALA  23   7.853   4.412   2.981
  164    HB2  ALA  23           2HB      ALA  23   7.603   5.346   4.453
  165    HB3  ALA  23           3HB      ALA  23   9.167   5.388   3.639
  166    H    TRP  24           H        TRP  24   7.422   9.052   2.569
  167    HA   TRP  24           HA       TRP  24   9.818   9.824   1.347
  168    HB2  TRP  24           2HB      TRP  24   9.416  12.036   2.235
  169    HB3  TRP  24           1HB      TRP  24   7.863  11.313   1.822
  170    HD1  TRP  24           HD       TRP  24   7.117   9.630   4.238
  171    HE1  TRP  24           1HE      TRP  24   6.734  10.658   6.565
  172    HE3  TRP  24           3HE      TRP  24   9.697  14.005   3.705
  173    HZ2  TRP  24           2HZ      TRP  24   7.426  13.020   8.014
  174    HZ3  TRP  24           3HZ      TRP  24   9.813  15.628   5.575
  175    HH2  TRP  24           HH       TRP  24   8.681  15.140   7.726
  176    H    TYR  25           H        TYR  25   9.180   9.244   4.839
  177    HA   TYR  25           HA       TYR  25  11.926  10.074   5.534
  178    HB2  TYR  25           2HB      TYR  25  11.328   9.661   7.731
  179    HB3  TYR  25           1HB      TYR  25   9.732   9.875   7.023
  180    HD1  TYR  25           1HD      TYR  25   9.020   7.442   5.735
  181    HD2  TYR  25           2HD      TYR  25  11.361   7.958   9.303
  182    HE1  TYR  25           1HE      TYR  25   8.376   5.166   6.498
  183    HE2  TYR  25           2HE      TYR  25  10.717   5.686  10.054
  184    HH   TYR  25           HH       TYR  25   8.550   3.643   8.086
  185    H    ASN  26           H        ASN  26  13.752   8.809   5.664
  186    HA   ASN  26           HA       ASN  26  15.139   6.996   5.167
  187    HB2  ASN  26           2HB      ASN  26  14.721   5.208   6.501
  188    HB3  ASN  26           1HB      ASN  26  13.327   6.135   7.048
  189   HD21  ASN  26          1HD2      ASN  26  11.220   5.539   6.226
  190   HD22  ASN  26          2HD2      ASN  26  10.969   4.091   5.385
  191    H    GLN  27           H        GLN  27  12.813   7.951   3.279
  192    HA   GLN  27           HA       GLN  27  12.005   7.385   1.156
  193    HB2  GLN  27           2HB      GLN  27  14.844   6.548   1.333
  194    HB3  GLN  27           1HB      GLN  27  13.957   5.822   0.020
  195    HG2  GLN  27           2HG      GLN  27  14.835   7.843  -0.881
  196    HG3  GLN  27           1HG      GLN  27  13.142   8.202  -0.546
  197   HE21  GLN  27          1HE2      GLN  27  12.676   9.784   1.070
  198   HE22  GLN  27          2HE2      GLN  27  13.881  10.624   1.920
  199    H    GLN  28           H        GLN  28  12.534   4.910  -0.316
  200    HA   GLN  28           HA       GLN  28  11.640   2.773  -0.554
  201    HB2  GLN  28           2HB      GLN  28  13.011   2.018   1.233
  202    HB3  GLN  28           1HB      GLN  28  12.037   2.831   2.446
  203    HG2  GLN  28           2HG      GLN  28  11.476   0.512   2.563
  204    HG3  GLN  28           1HG      GLN  28  10.125   1.285   1.734
  205   HE21  GLN  28          1HE2      GLN  28  10.491   1.352  -0.813
  206   HE22  GLN  28          2HE2      GLN  28  11.101  -0.076  -1.495
  207    H    SER  29           H        SER  29   9.608   1.872  -0.697
  208    HA   SER  29           HA       SER  29   7.385   3.523   0.389
  209    HB2  SER  29           2HB      SER  29   7.437   1.398  -1.768
  210    HB3  SER  29           1HB      SER  29   6.022   2.309  -1.266
  211    HG   SER  29           HG       SER  29   8.325   3.723  -1.945
  212    H    SER  30           H        SER  30   5.542   2.377   1.377
  213    HA   SER  30           HA       SER  30   6.128  -0.360   2.247
  214    HB2  SER  30           2HB      SER  30   6.832   1.162   4.063
  215    HB3  SER  30           1HB      SER  30   5.207   1.843   4.091
  216    HG   SER  30           HG       SER  30   5.263   0.261   5.633
  217    H    CYS  31           H        CYS  31   4.385  -1.694   2.371
  218    HA   CYS  31           HA       CYS  31   1.956  -0.888   1.081
  219    HB2  CYS  31           2HB      CYS  31   2.656  -3.325   2.727
  220    HB3  CYS  31           1HB      CYS  31   1.106  -3.123   1.938
  221    H    GLU  32           H        GLU  32  -0.128  -0.524   2.024
  222    HA   GLU  32           HA       GLU  32  -0.283  -0.412   4.974
  223    HB2  GLU  32           2HB      GLU  32  -0.706   1.839   5.192
  224    HB3  GLU  32           1HB      GLU  32   0.417   1.885   3.836
  225    HG2  GLU  32           2HG      GLU  32  -1.372   2.094   2.253
  226    HG3  GLU  32           1HG      GLU  32  -2.572   1.716   3.488
  227    H    ARG  33           H        ARG  33  -2.315  -0.874   5.734
  228    HA   ARG  33           HA       ARG  33  -4.132  -2.137   3.942
  229    HB2  ARG  33           2HB      ARG  33  -3.846  -2.392   6.535
  230    HB3  ARG  33           1HB      ARG  33  -5.028  -1.090   6.613
  231    HG2  ARG  33           2HG      ARG  33  -5.948  -2.985   4.663
  232    HG3  ARG  33           1HG      ARG  33  -5.495  -3.881   6.108
  233    HD2  ARG  33           2HD      ARG  33  -7.156  -1.392   6.359
  234    HD3  ARG  33           1HD      ARG  33  -7.909  -2.911   5.888
  235    HE   ARG  33           HE       ARG  33  -6.840  -3.853   8.041
  236   HH11  ARG  33          1HH2      ARG  33  -7.681  -0.522   7.603
  237   HH12  ARG  33          2HH2      ARG  33  -7.868  -0.219   9.295
  238   HH21  ARG  33          2HH1      ARG  33  -7.086  -3.459  10.244
  239   HH22  ARG  33          1HH1      ARG  33  -7.533  -1.875  10.789
  240    H    LYS  34           H        LYS  34  -6.289  -1.504   3.398
  241    HA   LYS  34           HA       LYS  34  -7.173   1.200   3.840
  242    HB2  LYS  34           2HB      LYS  34  -7.339   1.773   1.447
  243    HB3  LYS  34           1HB      LYS  34  -5.666   1.629   1.980
  244    HG2  LYS  34           2HG      LYS  34  -5.267  -0.188   0.667
  245    HG3  LYS  34           1HG      LYS  34  -6.811  -0.927   1.064
  246    HD2  LYS  34           2HD      LYS  34  -7.470   1.317  -0.535
  247    HD3  LYS  34           1HD      LYS  34  -6.057   0.610  -1.306
  248    HE2  LYS  34           2HE      LYS  34  -7.595  -0.747  -2.308
  249    HE3  LYS  34           1HE      LYS  34  -7.539  -1.642  -0.791
  250    HZ1  LYS  34           3HZ      LYS  34  -9.748  -0.496  -1.878
  251    HZ2  LYS  34           1HZ      LYS  34  -9.288   0.634  -0.701
  252    HZ3  LYS  34           2HZ      LYS  34  -9.586  -0.978  -0.257
  253    H    TRP  35           H        TRP  35  -8.693  -0.460   4.747
  254    HA   TRP  35           HA       TRP  35 -10.564  -1.443   2.648
  255    HB2  TRP  35           2HB      TRP  35 -11.245  -3.182   4.150
  256    HB3  TRP  35           1HB      TRP  35  -9.487  -3.166   4.133
  257    HD1  TRP  35           HD       TRP  35  -9.448  -0.483   6.185
  258    HE1  TRP  35           1HE      TRP  35  -9.765  -1.007   8.685
  259    HE3  TRP  35           3HE      TRP  35 -11.585  -5.120   5.864
  260    HZ2  TRP  35           2HZ      TRP  35 -10.795  -3.106  10.338
  261    HZ3  TRP  35           3HZ      TRP  35 -12.219  -6.356   7.915
  262    HH2  TRP  35           HH       TRP  35 -11.826  -5.357  10.149
  263    H    LYS  36           H        LYS  36 -12.541  -0.631   2.574
  264    HA   LYS  36           HA       LYS  36 -13.309   1.642   4.079
  265    HB2  LYS  36           2HB      LYS  36 -14.709  -0.280   2.254
  266    HB3  LYS  36           1HB      LYS  36 -15.686   0.863   3.176
  267    HG2  LYS  36           2HG      LYS  36 -14.965   2.660   1.962
  268    HG3  LYS  36           1HG      LYS  36 -13.323   2.042   1.815
  269    HD2  LYS  36           2HD      LYS  36 -15.576   0.695   0.330
  270    HD3  LYS  36           1HD      LYS  36 -14.852   2.167  -0.317
  271    HE2  LYS  36           2HE      LYS  36 -13.230   0.870  -1.212
  272    HE3  LYS  36           1HE      LYS  36 -12.660   0.547   0.423
  273    HZ1  LYS  36           3HZ      LYS  36 -14.890  -0.986  -0.755
  274    HZ2  LYS  36           1HZ      LYS  36 -13.890  -1.402   0.550
  275    HZ3  LYS  36           2HZ      LYS  36 -13.273  -1.427  -1.033
  276    H    TYR  37           H        TYR  37 -13.866  -1.761   4.403
  277    HA   TYR  37           HA       TYR  37 -13.994  -2.061   7.129
  278    HB2  TYR  37           2HB      TYR  37 -15.636  -0.340   7.485
  279    HB3  TYR  37           1HB      TYR  37 -16.668  -0.968   6.200
  280    HD1  TYR  37           2HD      TYR  37 -15.016  -2.134   9.369
  281    HD2  TYR  37           1HD      TYR  37 -18.472  -2.299   6.824
  282    HE1  TYR  37           2HE      TYR  37 -16.157  -3.599  11.014
  283    HE2  TYR  37           1HE      TYR  37 -19.613  -3.764   8.467
  284    HH   TYR  37           HH       TYR  37 -19.504  -4.294  10.839
  285    H    LEU  38           H        LEU  38 -13.862  -3.389   4.457
  286    HA   LEU  38           HA       LEU  38 -14.734  -5.947   5.201
  287    HB2  LEU  38           2HB      LEU  38 -16.717  -6.338   3.987
  288    HB3  LEU  38           1HB      LEU  38 -16.985  -4.791   4.753
  289    HG   LEU  38           HG       LEU  38 -17.749  -4.405   2.592
  290   HD11  LEU  38          1HD1      LEU  38 -16.479  -2.528   2.660
  291   HD12  LEU  38          2HD1      LEU  38 -15.630  -3.312   1.332
  292   HD13  LEU  38          3HD1      LEU  38 -14.982  -3.396   2.959
  293   HD21  LEU  38          3HD2      LEU  38 -17.246  -5.660   0.792
  294   HD22  LEU  38          1HD2      LEU  38 -16.344  -6.673   1.910
  295   HD23  LEU  38          2HD2      LEU  38 -15.514  -5.423   0.991
  296    H    PHE  39           H        PHE  39 -14.969  -7.317   2.934
  297    HA   PHE  39           HA       PHE  39 -12.551  -7.799   1.870
  298    HB2  PHE  39           2HB      PHE  39 -15.001  -7.518   0.109
  299    HB3  PHE  39           1HB      PHE  39 -13.590  -8.525  -0.211
  300    HD1  PHE  39           1HD      PHE  39 -12.950 -10.103   1.919
  301    HD2  PHE  39           2HD      PHE  39 -16.867  -8.617   0.965
  302    HE1  PHE  39           1HE      PHE  39 -13.972 -11.950   3.219
  303    HE2  PHE  39           2HE      PHE  39 -17.886 -10.460   2.269
  304    HZ   PHE  39           HZ       PHE  39 -16.439 -12.129   3.395
  305    H    THR  40           H        THR  40 -10.958  -6.582   1.030
  306    HA   THR  40           HA       THR  40 -11.511  -3.932  -0.101
  307    HB   THR  40           HB       THR  40  -8.880  -4.254  -0.570
  308    HG1  THR  40           1HG      THR  40  -9.144  -5.793   1.730
  309   HG21  THR  40          3HG2      THR  40  -9.636  -2.530   0.873
  310   HG22  THR  40          1HG2      THR  40  -8.555  -3.506   1.864
  311   HG23  THR  40          2HG2      THR  40 -10.300  -3.684   2.030
  312    H    GLY  41           H        GLY  41 -12.622  -6.214  -1.535
  313    HA2  GLY  41           2HA      GLY  41 -12.914  -6.740  -3.820
  314    HA3  GLY  41           1HA      GLY  41 -11.677  -5.540  -4.203
  315    H    GLU  42           H        GLU  42 -10.206  -6.663  -5.446
  316    HA   GLU  42           HA       GLU  42  -8.929  -9.036  -4.165
  317    HB2  GLU  42           2HB      GLU  42 -10.618  -9.727  -5.924
  318    HB3  GLU  42           1HB      GLU  42  -9.609  -8.903  -7.110
  319    HG2  GLU  42           2HG      GLU  42  -8.974 -11.228  -7.122
  320    HG3  GLU  42           1HG      GLU  42  -7.677 -10.338  -6.327
  321    H    CYS  43           H        CYS  43  -6.741  -9.370  -4.845
  322    HA   CYS  43           HA       CYS  43  -5.425  -6.863  -5.729
  323    HB2  CYS  43           2HB      CYS  43  -3.358  -8.097  -4.957
  324    HB3  CYS  43           1HB      CYS  43  -4.562  -7.853  -3.719
  325    HXT  CYS  43           2HT      CYS  43  -4.914 -10.145  -6.230
  Start of MODEL   18
    1    H1   CYS   1           1H       CYS   1   4.964 -10.538  -1.056
    2    H2   CYS   1           2H       CYS   1   3.404 -11.014  -0.646
    3    H3   CYS   1           3H       CYS   1   3.850 -10.901  -2.263
    4    HA   CYS   1           HA       CYS   1   4.126  -8.510  -2.059
    5    HB2  CYS   1           2HB      CYS   1   1.646  -8.061  -1.420
    6    HB3  CYS   1           1HB      CYS   1   1.959  -9.069  -2.824
    7    H    GLY   2           H        GLY   2   3.900  -6.603  -0.670
    8    HA2  GLY   2           2HA      GLY   2   4.756  -7.093   2.065
    9    HA3  GLY   2           1HA      GLY   2   4.406  -5.515   1.359
   10    H    SER   3           H        SER   3   3.574  -6.606   3.993
   11    HA   SER   3           HA       SER   3   0.605  -6.705   3.651
   12    HB2  SER   3           2HB      SER   3   2.321  -7.401   6.055
   13    HB3  SER   3           1HB      SER   3   0.571  -7.567   5.963
   14    HG   SER   3           HG       SER   3   2.509  -8.875   4.346
   15    H    LYS   4           H        LYS   4  -0.266  -5.753   6.061
   16    HA   LYS   4           HA       LYS   4  -0.508  -3.035   5.881
   17    HB2  LYS   4           2HB      LYS   4  -1.613  -4.249   7.687
   18    HB3  LYS   4           1HB      LYS   4  -0.061  -4.610   8.435
   19    HG2  LYS   4           2HG      LYS   4   0.067  -1.862   8.261
   20    HG3  LYS   4           1HG      LYS   4  -1.656  -2.110   8.516
   21    HD2  LYS   4           2HD      LYS   4   0.311  -3.581  10.257
   22    HD3  LYS   4           1HD      LYS   4  -0.039  -1.888  10.584
   23    HE2  LYS   4           2HE      LYS   4  -2.152  -2.330  11.322
   24    HE3  LYS   4           1HE      LYS   4  -2.420  -3.590  10.117
   25    HZ1  LYS   4           3HZ      LYS   4  -0.694  -4.880  11.501
   26    HZ2  LYS   4           1HZ      LYS   4  -2.288  -4.777  12.070
   27    HZ3  LYS   4           2HZ      LYS   4  -1.084  -3.780  12.736
   28    H    ARG   5           H        ARG   5   0.969  -1.396   5.724
   29    HA   ARG   5           HA       ARG   5   3.037  -0.282   5.917
   30    HB2  ARG   5           2HB      ARG   5   1.962  -0.267   8.256
   31    HB3  ARG   5           1HB      ARG   5   3.084  -1.564   8.653
   32    HG2  ARG   5           2HG      ARG   5   4.990  -0.135   8.137
   33    HG3  ARG   5           1HG      ARG   5   3.909   1.153   7.595
   34    HD2  ARG   5           2HD      ARG   5   4.658   1.562   9.914
   35    HD3  ARG   5           1HD      ARG   5   2.917   1.282   9.849
   36    HE   ARG   5           HE       ARG   5   4.667  -1.043  10.444
   37   HH11  ARG   5          1HH2      ARG   5   2.391   1.363  11.445
   38   HH12  ARG   5          2HH2      ARG   5   1.957   0.527  12.897
   39   HH21  ARG   5          2HH1      ARG   5   4.104  -2.133  12.333
   40   HH22  ARG   5          1HH1      ARG   5   2.925  -1.446  13.398
   41    H    ALA   6           H        ALA   6   4.067  -1.649   4.374
   42    HA   ALA   6           HA       ALA   6   6.402  -3.040   5.362
   43    HB1  ALA   6           1HB      ALA   6   4.468  -4.695   5.777
   44    HB2  ALA   6           2HB      ALA   6   5.848  -5.303   4.865
   45    HB3  ALA   6           3HB      ALA   6   4.371  -4.840   4.022
   46    H    TRP   7           H        TRP   7   7.859  -2.708   3.858
   47    HA   TRP   7           HA       TRP   7   7.939  -1.402   1.568
   48    HB2  TRP   7           2HB      TRP   7   9.933  -2.431   2.246
   49    HB3  TRP   7           1HB      TRP   7   9.230  -4.045   2.184
   50    HD1  TRP   7           HD       TRP   7  10.316  -1.199  -0.175
   51    HE1  TRP   7           1HE      TRP   7  10.923  -2.241  -2.452
   52    HE3  TRP   7           3HE      TRP   7   9.018  -6.044   0.718
   53    HZ2  TRP   7           2HZ      TRP   7  10.856  -4.809  -3.735
   54    HZ3  TRP   7           3HZ      TRP   7   9.300  -7.769  -1.032
   55    HH2  TRP   7           HH       TRP   7  10.215  -7.158  -3.254
   56    H    CYS   8           H        CYS   8   7.366  -1.519  -0.601
   57    HA   CYS   8           HA       CYS   8   5.823  -3.946  -1.492
   58    HB2  CYS   8           2HB      CYS   8   4.570  -2.079  -2.926
   59    HB3  CYS   8           1HB      CYS   8   4.041  -2.517  -1.318
   60    H    LYS   9           H        LYS   9   5.817  -4.262  -3.808
   61    HA   LYS   9           HA       LYS   9   8.286  -3.335  -5.133
   62    HB2  LYS   9           2HB      LYS   9   6.264  -5.492  -5.511
   63    HB3  LYS   9           1HB      LYS   9   7.001  -4.863  -6.965
   64    HG2  LYS   9           2HG      LYS   9   9.235  -5.398  -6.097
   65    HG3  LYS   9           1HG      LYS   9   8.515  -5.958  -4.582
   66    HD2  LYS   9           2HD      LYS   9   7.223  -7.664  -5.847
   67    HD3  LYS   9           1HD      LYS   9   8.019  -7.142  -7.332
   68    HE2  LYS   9           2HE      LYS   9   9.291  -8.437  -4.909
   69    HE3  LYS   9           1HE      LYS   9   9.221  -9.062  -6.556
   70    HZ1  LYS   9           3HZ      LYS   9  11.281  -8.169  -6.606
   71    HZ2  LYS   9           1HZ      LYS   9  10.941  -6.998  -5.427
   72    HZ3  LYS   9           2HZ      LYS   9  10.412  -6.770  -7.025
   73    H    GLU  10           H        GLU  10   4.770  -3.227  -5.426
   74    HA   GLU  10           HA       GLU  10   4.790  -0.669  -6.843
   75    HB2  GLU  10           2HB      GLU  10   4.029  -3.229  -8.229
   76    HB3  GLU  10           1HB      GLU  10   3.215  -1.732  -8.654
   77    HG2  GLU  10           2HG      GLU  10   6.221  -2.129  -8.717
   78    HG3  GLU  10           1HG      GLU  10   5.165  -2.202 -10.123
   79    H    LYS  11           H        LYS  11   2.238  -0.443  -7.633
   80    HA   LYS  11           HA       LYS  11   0.740  -0.343  -5.171
   81    HB2  LYS  11           2HB      LYS  11   0.421   1.186  -7.170
   82    HB3  LYS  11           1HB      LYS  11  -0.373  -0.161  -7.987
   83    HG2  LYS  11           2HG      LYS  11  -2.049  -0.289  -6.195
   84    HG3  LYS  11           1HG      LYS  11  -1.240   1.016  -5.335
   85    HD2  LYS  11           2HD      LYS  11  -1.594   2.436  -7.433
   86    HD3  LYS  11           1HD      LYS  11  -2.680   1.162  -7.986
   87    HE2  LYS  11           2HE      LYS  11  -3.021   2.411  -5.258
   88    HE3  LYS  11           1HE      LYS  11  -3.715   3.159  -6.694
   89    HZ1  LYS  11           3HZ      LYS  11  -5.194   1.486  -6.974
   90    HZ2  LYS  11           1HZ      LYS  11  -5.021   1.379  -5.289
   91    HZ3  LYS  11           2HZ      LYS  11  -4.179   0.302  -6.298
   92    H    LYS  12           H        LYS  12   0.509  -2.411  -8.055
   93    HA   LYS  12           HA       LYS  12  -1.655  -4.021  -6.947
   94    HB2  LYS  12           2HB      LYS  12  -1.874  -4.349  -9.177
   95    HB3  LYS  12           1HB      LYS  12  -0.267  -3.701  -9.481
   96    HG2  LYS  12           2HG      LYS  12   0.703  -5.933  -8.886
   97    HG3  LYS  12           1HG      LYS  12  -0.935  -6.558  -8.694
   98    HD2  LYS  12           2HD      LYS  12  -0.429  -7.167 -10.896
   99    HD3  LYS  12           1HD      LYS  12  -1.283  -5.641 -11.126
  100    HE2  LYS  12           2HE      LYS  12   1.016  -4.509 -11.049
  101    HE3  LYS  12           1HE      LYS  12   1.702  -6.125 -11.190
  102    HZ1  LYS  12           3HZ      LYS  12  -0.387  -5.319 -13.081
  103    HZ2  LYS  12           1HZ      LYS  12   0.919  -6.380 -13.301
  104    HZ3  LYS  12           2HZ      LYS  12   1.181  -4.701 -13.297
  105    H    ASP  13           H        ASP  13   1.729  -3.993  -6.552
  106    HA   ASP  13           HA       ASP  13   2.001  -6.863  -6.122
  107    HB2  ASP  13           2HB      ASP  13   3.755  -4.460  -6.060
  108    HB3  ASP  13           1HB      ASP  13   4.292  -5.908  -5.238
  109    H    CYS  14           H        CYS  14   0.566  -4.542  -4.211
  110    HA   CYS  14           HA       CYS  14   1.816  -5.362  -1.686
  111    HB2  CYS  14           2HB      CYS  14  -0.339  -3.455  -2.520
  112    HB3  CYS  14           1HB      CYS  14  -0.306  -4.017  -0.864
  113    H    CYS  15           H        CYS  15   0.836  -6.779  -0.195
  114    HA   CYS  15           HA       CYS  15  -0.716  -8.902  -1.148
  115    HB2  CYS  15           2HB      CYS  15  -0.170  -7.743   1.567
  116    HB3  CYS  15           1HB      CYS  15  -1.302  -9.056   1.401
  117    H    CYS  16           H        CYS  16  -2.905  -9.221  -1.318
  118    HA   CYS  16           HA       CYS  16  -4.775  -7.304  -1.822
  119    HB2  CYS  16           2HB      CYS  16  -5.213  -9.772  -1.813
  120    HB3  CYS  16           1HB      CYS  16  -5.343  -9.708  -0.057
  121    H    GLY  17           H        GLY  17  -6.224  -5.946  -0.562
  122    HA2  GLY  17           2HA      GLY  17  -6.935  -4.760   1.341
  123    HA3  GLY  17           1HA      GLY  17  -6.128  -5.968   2.338
  124    H    TYR  18           H        TYR  18  -3.831  -4.882   0.124
  125    HA   TYR  18           HA       TYR  18  -3.121  -2.568   1.943
  126    HB2  TYR  18           2HB      TYR  18  -1.256  -4.836   1.202
  127    HB3  TYR  18           1HB      TYR  18  -0.795  -3.377   2.077
  128    HD1  TYR  18           1HD      TYR  18  -2.435  -2.783   4.123
  129    HD2  TYR  18           2HD      TYR  18  -1.803  -6.708   2.503
  130    HE1  TYR  18           1HE      TYR  18  -3.199  -3.790   6.257
  131    HE2  TYR  18           2HE      TYR  18  -2.548  -7.714   4.645
  132    HH   TYR  18           HH       TYR  18  -2.562  -6.518   7.328
  133    H    ASN  19           H        ASN  19  -1.596  -1.054   1.025
  134    HA   ASN  19           HA       ASN  19  -1.396  -1.168  -1.966
  135    HB2  ASN  19           2HB      ASN  19  -3.210   0.328  -1.360
  136    HB3  ASN  19           1HB      ASN  19  -2.181   1.161  -0.197
  137   HD21  ASN  19          1HD2      ASN  19  -1.401   3.094  -1.012
  138   HD22  ASN  19          2HD2      ASN  19  -1.021   3.385  -2.641
  139    H    CYS  20           H        CYS  20   0.279   0.517  -2.771
  140    HA   CYS  20           HA       CYS  20   2.688   0.281  -1.070
  141    HB2  CYS  20           2HB      CYS  20   2.548  -0.170  -3.632
  142    HB3  CYS  20           1HB      CYS  20   2.581   1.582  -3.794
  143    H    VAL  21           H        VAL  21   2.885   1.856   0.443
  144    HA   VAL  21           HA       VAL  21   2.095   4.647  -0.253
  145    HB   VAL  21           HB       VAL  21   2.138   3.037   2.237
  146   HG11  VAL  21          1HG1      VAL  21   2.402   5.121   3.650
  147   HG12  VAL  21          2HG1      VAL  21   3.034   5.931   2.218
  148   HG13  VAL  21          3HG1      VAL  21   3.891   4.548   2.901
  149   HG21  VAL  21          3HG2      VAL  21  -0.016   3.667   1.669
  150   HG22  VAL  21          1HG2      VAL  21   0.498   5.204   0.977
  151   HG23  VAL  21          2HG2      VAL  21   0.414   5.012   2.722
  152    H    TYR  22           H        TYR  22   3.609   6.259  -0.444
  153    HA   TYR  22           HA       TYR  22   6.417   5.460  -0.516
  154    HB2  TYR  22           2HB      TYR  22   5.483   7.379  -1.835
  155    HB3  TYR  22           1HB      TYR  22   5.312   8.276  -0.322
  156    HD1  TYR  22           1HD      TYR  22   7.726   6.769  -2.682
  157    HD2  TYR  22           2HD      TYR  22   7.241   9.119   0.872
  158    HE1  TYR  22           1HE      TYR  22  10.130   7.371  -2.754
  159    HE2  TYR  22           2HE      TYR  22   9.648   9.715   0.813
  160    HH   TYR  22           HH       TYR  22  11.775   8.665  -0.174
  161    H    ALA  23           H        ALA  23   8.036   5.756   1.006
  162    HA   ALA  23           HA       ALA  23   7.149   6.098   3.792
  163    HB1  ALA  23           1HB      ALA  23   9.030   4.514   2.615
  164    HB2  ALA  23           2HB      ALA  23   9.005   4.911   4.327
  165    HB3  ALA  23           3HB      ALA  23  10.029   5.831   3.228
  166    H    TRP  24           H        TRP  24   9.758   7.137   4.592
  167    HA   TRP  24           HA       TRP  24  10.176   9.737   3.433
  168    HB2  TRP  24           2HB      TRP  24   9.216  10.888   5.648
  169    HB3  TRP  24           1HB      TRP  24   8.185  10.593   4.250
  170    HD1  TRP  24           HD       TRP  24   9.115   9.004   7.630
  171    HE1  TRP  24           1HE      TRP  24   7.147   7.547   8.421
  172    HE3  TRP  24           3HE      TRP  24   6.029   9.417   3.581
  173    HZ2  TRP  24           2HZ      TRP  24   4.601   6.671   7.468
  174    HZ3  TRP  24           3HZ      TRP  24   3.840   8.261   3.551
  175    HH2  TRP  24           HH       TRP  24   3.119   6.892   5.489
  176    H    TYR  25           H        TYR  25  10.181   8.035   6.646
  177    HA   TYR  25           HA       TYR  25  12.782   9.412   7.224
  178    HB2  TYR  25           2HB      TYR  25  12.579   8.626   9.407
  179    HB3  TYR  25           1HB      TYR  25  10.893   8.790   8.937
  180    HD1  TYR  25           2HD      TYR  25   9.838   6.631   7.782
  181    HD2  TYR  25           1HD      TYR  25  13.298   6.612  10.328
  182    HE1  TYR  25           2HE      TYR  25   9.485   4.221   8.252
  183    HE2  TYR  25           1HE      TYR  25  12.943   4.204  10.797
  184    HH   TYR  25           HH       TYR  25  11.850   2.285   9.828
  185    H    ASN  26           H        ASN  26  11.576   6.248   6.266
  186    HA   ASN  26           HA       ASN  26  14.402   5.286   6.081
  187    HB2  ASN  26           2HB      ASN  26  13.506   3.020   6.120
  188    HB3  ASN  26           1HB      ASN  26  12.880   3.914   7.503
  189   HD21  ASN  26          1HD2      ASN  26  10.800   5.394   6.322
  190   HD22  ASN  26          2HD2      ASN  26   9.632   4.327   5.707
  191    H    GLN  27           H        GLN  27  12.360   6.860   4.185
  192    HA   GLN  27           HA       GLN  27  12.009   6.981   1.873
  193    HB2  GLN  27           2HB      GLN  27  14.586   5.383   1.956
  194    HB3  GLN  27           1HB      GLN  27  13.909   6.095   0.491
  195    HG2  GLN  27           2HG      GLN  27  14.618   7.660   2.992
  196    HG3  GLN  27           1HG      GLN  27  15.639   7.548   1.555
  197   HE21  GLN  27          1HE2      GLN  27  13.533   9.633   2.968
  198   HE22  GLN  27          2HE2      GLN  27  12.856  10.359   1.591
  199    H    GLN  28           H        GLN  28  12.409   5.234  -0.196
  200    HA   GLN  28           HA       GLN  28  11.475   3.356  -1.244
  201    HB2  GLN  28           2HB      GLN  28  12.770   2.368   0.936
  202    HB3  GLN  28           1HB      GLN  28  11.124   1.870   1.308
  203    HG2  GLN  28           2HG      GLN  28  12.221   0.103   0.033
  204    HG3  GLN  28           1HG      GLN  28  10.965   0.832  -0.962
  205   HE21  GLN  28          1HE2      GLN  28  11.866   0.611  -3.046
  206   HE22  GLN  28          2HE2      GLN  28  13.367   1.262  -3.500
  207    H    SER  29           H        SER  29   9.466   1.638  -0.514
  208    HA   SER  29           HA       SER  29   7.250   3.396   0.459
  209    HB2  SER  29           2HB      SER  29   7.268   1.592  -1.970
  210    HB3  SER  29           1HB      SER  29   5.807   2.258  -1.257
  211    HG   SER  29           HG       SER  29   7.154   4.338  -1.490
  212    H    SER  30           H        SER  30   5.620   2.278   1.603
  213    HA   SER  30           HA       SER  30   6.069  -0.587   2.085
  214    HB2  SER  30           2HB      SER  30   5.623  -0.274   4.443
  215    HB3  SER  30           1HB      SER  30   6.886   0.855   3.975
  216    HG   SER  30           HG       SER  30   4.552   2.011   3.509
  217    H    CYS  31           H        CYS  31   4.168  -1.850   2.244
  218    HA   CYS  31           HA       CYS  31   1.832  -0.742   0.997
  219    HB2  CYS  31           2HB      CYS  31   2.129  -3.316   2.562
  220    HB3  CYS  31           1HB      CYS  31   0.732  -2.884   1.597
  221    H    GLU  32           H        GLU  32  -0.221  -0.231   1.924
  222    HA   GLU  32           HA       GLU  32  -0.431  -0.230   4.882
  223    HB2  GLU  32           2HB      GLU  32  -0.289   2.017   5.166
  224    HB3  GLU  32           1HB      GLU  32   0.396   2.078   3.542
  225    HG2  GLU  32           2HG      GLU  32  -1.836   2.370   2.581
  226    HG3  GLU  32           1HG      GLU  32  -2.562   2.238   4.183
  227    H    ARG  33           H        ARG  33  -2.641  -0.063   5.611
  228    HA   ARG  33           HA       ARG  33  -4.578  -1.256   3.881
  229    HB2  ARG  33           2HB      ARG  33  -4.425  -1.034   6.538
  230    HB3  ARG  33           1HB      ARG  33  -5.448   0.371   6.248
  231    HG2  ARG  33           2HG      ARG  33  -6.865  -1.566   6.663
  232    HG3  ARG  33           1HG      ARG  33  -7.024  -1.097   4.973
  233    HD2  ARG  33           2HD      ARG  33  -6.628  -3.320   4.585
  234    HD3  ARG  33           1HD      ARG  33  -4.947  -2.862   4.806
  235    HE   ARG  33           HE       ARG  33  -4.926  -4.125   6.766
  236   HH11  ARG  33          1HH2      ARG  33  -8.132  -3.117   5.985
  237   HH12  ARG  33          2HH2      ARG  33  -8.867  -4.033   7.257
  238   HH21  ARG  33          2HH1      ARG  33  -5.864  -5.323   8.417
  239   HH22  ARG  33          1HH1      ARG  33  -7.581  -5.286   8.635
  240    H    LYS  34           H        LYS  34  -6.083  -0.350   2.517
  241    HA   LYS  34           HA       LYS  34  -5.766   2.463   1.905
  242    HB2  LYS  34           2HB      LYS  34  -7.578   0.418   0.626
  243    HB3  LYS  34           1HB      LYS  34  -7.170   1.999  -0.034
  244    HG2  LYS  34           2HG      LYS  34  -4.733   1.255   0.064
  245    HG3  LYS  34           1HG      LYS  34  -5.347  -0.369   0.388
  246    HD2  LYS  34           2HD      LYS  34  -5.222  -0.461  -1.936
  247    HD3  LYS  34           1HD      LYS  34  -6.863   0.150  -1.747
  248    HE2  LYS  34           2HE      LYS  34  -4.484   2.001  -2.036
  249    HE3  LYS  34           1HE      LYS  34  -5.376   1.384  -3.425
  250    HZ1  LYS  34           3HZ      LYS  34  -7.373   2.246  -1.891
  251    HZ2  LYS  34           1HZ      LYS  34  -6.619   3.207  -3.067
  252    HZ3  LYS  34           2HZ      LYS  34  -6.162   3.345  -1.437
  253    H    TRP  35           H        TRP  35  -7.691   0.933   4.135
  254    HA   TRP  35           HA       TRP  35  -9.756   1.530   5.138
  255    HB2  TRP  35           2HB      TRP  35  -9.433   4.236   3.807
  256    HB3  TRP  35           1HB      TRP  35 -10.266   3.861   5.305
  257    HD1  TRP  35           HD       TRP  35  -6.613   3.487   4.018
  258    HE1  TRP  35           1HE      TRP  35  -5.034   4.270   5.892
  259    HE3  TRP  35           3HE      TRP  35 -10.035   4.696   7.622
  260    HZ2  TRP  35           2HZ      TRP  35  -5.186   5.286   8.547
  261    HZ3  TRP  35           3HZ      TRP  35  -9.282   5.579   9.809
  262    HH2  TRP  35           HH       TRP  35  -6.864   5.876  10.279
  263    H    LYS  36           H        LYS  36 -11.863   3.071   4.168
  264    HA   LYS  36           HA       LYS  36 -12.251   2.749   1.343
  265    HB2  LYS  36           2HB      LYS  36 -13.693   0.815   3.157
  266    HB3  LYS  36           1HB      LYS  36 -14.236   1.186   1.528
  267    HG2  LYS  36           2HG      LYS  36 -11.550  -0.041   2.252
  268    HG3  LYS  36           1HG      LYS  36 -12.918  -0.892   1.561
  269    HD2  LYS  36           2HD      LYS  36 -12.802   0.392  -0.482
  270    HD3  LYS  36           1HD      LYS  36 -11.563   1.444   0.189
  271    HE2  LYS  36           2HE      LYS  36 -10.235  -0.806   0.532
  272    HE3  LYS  36           1HE      LYS  36 -11.324  -1.398  -0.723
  273    HZ1  LYS  36           3HZ      LYS  36 -10.530   1.017  -1.668
  274    HZ2  LYS  36           1HZ      LYS  36  -9.894  -0.482  -2.143
  275    HZ3  LYS  36           2HZ      LYS  36  -9.117   0.424  -0.932
  276    H    TYR  37           H        TYR  37 -13.752   3.074   4.505
  277    HA   TYR  37           HA       TYR  37 -14.807   5.650   3.957
  278    HB2  TYR  37           2HB      TYR  37 -16.144   4.539   2.182
  279    HB3  TYR  37           1HB      TYR  37 -16.846   3.482   3.399
  280    HD1  TYR  37           1HD      TYR  37 -16.224   7.146   2.899
  281    HD2  TYR  37           2HD      TYR  37 -18.946   4.093   4.200
  282    HE1  TYR  37           1HE      TYR  37 -17.935   8.877   3.375
  283    HE2  TYR  37           2HE      TYR  37 -20.655   5.820   4.683
  284    HH   TYR  37           HH       TYR  37 -20.050   9.272   4.057
  285    H    LEU  38           H        LEU  38 -14.935   2.679   5.669
  286    HA   LEU  38           HA       LEU  38 -15.411   4.051   8.139
  287    HB2  LEU  38           2HB      LEU  38 -17.506   2.386   8.512
  288    HB3  LEU  38           1HB      LEU  38 -17.688   4.015   7.889
  289    HG   LEU  38           HG       LEU  38 -17.510   3.061   5.564
  290   HD11  LEU  38          1HD1      LEU  38 -18.272   0.371   6.466
  291   HD12  LEU  38          2HD1      LEU  38 -16.604   0.782   6.844
  292   HD13  LEU  38          3HD1      LEU  38 -17.168   0.853   5.181
  293   HD21  LEU  38          3HD2      LEU  38 -19.689   3.605   6.385
  294   HD22  LEU  38          1HD2      LEU  38 -19.717   2.186   7.432
  295   HD23  LEU  38          2HD2      LEU  38 -19.818   1.992   5.682
  296    H    PHE  39           H        PHE  39 -16.346   1.744   9.620
  297    HA   PHE  39           HA       PHE  39 -13.920   0.457  10.195
  298    HB2  PHE  39           2HB      PHE  39 -16.095   0.508  11.574
  299    HB3  PHE  39           1HB      PHE  39 -16.588  -0.877  10.601
  300    HD1  PHE  39           2HD      PHE  39 -13.569   0.323  12.484
  301    HD2  PHE  39           1HD      PHE  39 -16.086  -2.999  11.443
  302    HE1  PHE  39           2HE      PHE  39 -12.205  -1.160  13.923
  303    HE2  PHE  39           1HE      PHE  39 -14.719  -4.484  12.886
  304    HZ   PHE  39           HZ       PHE  39 -12.778  -3.565  14.125
  305    H    THR  40           H        THR  40 -16.541  -0.608   8.124
  306    HA   THR  40           HA       THR  40 -15.230  -3.094   7.408
  307    HB   THR  40           HB       THR  40 -17.409  -1.596   5.914
  308    HG1  THR  40           1HG      THR  40 -17.501  -3.642   7.877
  309   HG21  THR  40          3HG2      THR  40 -16.403  -4.450   5.785
  310   HG22  THR  40          1HG2      THR  40 -16.360  -3.246   4.496
  311   HG23  THR  40          2HG2      THR  40 -17.904  -3.900   5.040
  312    H    GLY  41           H        GLY  41 -14.283  -3.561   5.320
  313    HA2  GLY  41           2HA      GLY  41 -13.653  -2.361   3.097
  314    HA3  GLY  41           1HA      GLY  41 -12.892  -1.180   4.164
  315    H    GLU  42           H        GLU  42 -12.798  -4.446   5.265
  316    HA   GLU  42           HA       GLU  42  -9.882  -4.515   4.742
  317    HB2  GLU  42           2HB      GLU  42 -10.666  -4.938   7.050
  318    HB3  GLU  42           1HB      GLU  42 -11.628  -6.299   6.473
  319    HG2  GLU  42           2HG      GLU  42  -9.610  -7.452   5.721
  320    HG3  GLU  42           1HG      GLU  42  -8.618  -6.069   6.190
  321    H    CYS  43           H        CYS  43  -9.106  -5.762   3.106
  322    HA   CYS  43           HA       CYS  43 -10.856  -7.236   1.381
  323    HB2  CYS  43           2HB      CYS  43  -9.091  -6.824   0.074
  324    HB3  CYS  43           1HB      CYS  43  -8.071  -6.513   1.464
  325    HXT  CYS  43           2HT      CYS  43  -9.266  -8.017   4.125
  Start of MODEL   19
    1    H1   CYS   1           1H       CYS   1   5.398 -10.484   0.038
    2    H2   CYS   1           2H       CYS   1   3.777 -10.780   0.366
    3    H3   CYS   1           3H       CYS   1   4.372 -10.995  -1.192
    4    HA   CYS   1           HA       CYS   1   4.811  -8.634  -1.396
    5    HB2  CYS   1           2HB      CYS   1   2.306  -7.935  -1.049
    6    HB3  CYS   1           1HB      CYS   1   2.697  -9.135  -2.272
    7    H    GLY   2           H        GLY   2   4.281  -6.442  -0.426
    8    HA2  GLY   2           2HA      GLY   2   5.358  -6.214   2.181
    9    HA3  GLY   2           1HA      GLY   2   4.478  -4.933   1.358
   10    H    SER   3           H        SER   3   2.232  -4.716   1.747
   11    HA   SER   3           HA       SER   3   0.144  -5.124   2.831
   12    HB2  SER   3           2HB      SER   3   1.136  -7.572   3.126
   13    HB3  SER   3           1HB      SER   3   1.375  -7.035   4.782
   14    HG   SER   3           HG       SER   3  -0.891  -7.775   3.540
   15    H    LYS   4           H        LYS   4  -0.456  -5.209   5.411
   16    HA   LYS   4           HA       LYS   4   0.087  -2.732   6.476
   17    HB2  LYS   4           2HB      LYS   4  -1.619  -4.056   7.441
   18    HB3  LYS   4           1HB      LYS   4  -0.516  -5.375   7.803
   19    HG2  LYS   4           2HG      LYS   4   0.545  -4.080   9.532
   20    HG3  LYS   4           1HG      LYS   4  -0.382  -2.641   9.093
   21    HD2  LYS   4           2HD      LYS   4  -2.461  -3.766   9.717
   22    HD3  LYS   4           1HD      LYS   4  -1.575  -5.252  10.067
   23    HE2  LYS   4           2HE      LYS   4  -0.214  -3.878  11.748
   24    HE3  LYS   4           1HE      LYS   4  -1.428  -2.615  11.537
   25    HZ1  LYS   4           3HZ      LYS   4  -1.608  -5.110  12.956
   26    HZ2  LYS   4           1HZ      LYS   4  -2.924  -4.838  11.922
   27    HZ3  LYS   4           2HZ      LYS   4  -2.539  -3.699  13.123
   28    H    ARG   5           H        ARG   5   1.873  -1.726   7.258
   29    HA   ARG   5           HA       ARG   5   4.149  -1.426   7.777
   30    HB2  ARG   5           2HB      ARG   5   4.297  -3.819   9.515
   31    HB3  ARG   5           1HB      ARG   5   4.626  -2.134   9.898
   32    HG2  ARG   5           2HG      ARG   5   1.781  -2.779   9.422
   33    HG3  ARG   5           1HG      ARG   5   2.473  -3.518  10.850
   34    HD2  ARG   5           2HD      ARG   5   3.364  -1.113  11.332
   35    HD3  ARG   5           1HD      ARG   5   2.124  -0.610  10.180
   36    HE   ARG   5           HE       ARG   5   0.557  -2.050  11.731
   37   HH11  ARG   5          1HH2      ARG   5   3.302  -0.173  12.663
   38   HH12  ARG   5          2HH2      ARG   5   2.729   0.099  14.275
   39   HH21  ARG   5          2HH1      ARG   5  -0.177  -1.736  13.842
   40   HH22  ARG   5          1HH1      ARG   5   0.760  -0.784  14.942
   41    H    ALA   6           H        ALA   6   4.736  -2.089   5.589
   42    HA   ALA   6           HA       ALA   6   6.658  -4.229   5.504
   43    HB1  ALA   6           1HB      ALA   6   4.147  -4.802   3.942
   44    HB2  ALA   6           2HB      ALA   6   4.368  -5.434   5.574
   45    HB3  ALA   6           3HB      ALA   6   5.486  -5.896   4.294
   46    H    TRP   7           H        TRP   7   8.015  -3.645   3.935
   47    HA   TRP   7           HA       TRP   7   7.708  -1.476   2.205
   48    HB2  TRP   7           2HB      TRP   7   9.885  -2.274   2.626
   49    HB3  TRP   7           1HB      TRP   7   9.463  -3.917   2.149
   50    HD1  TRP   7           HD       TRP   7   9.734  -0.416   0.522
   51    HE1  TRP   7           1HE      TRP   7  10.567  -0.732  -1.900
   52    HE3  TRP   7           3HE      TRP   7   9.898  -5.512   0.308
   53    HZ2  TRP   7           2HZ      TRP   7  11.221  -2.871  -3.691
   54    HZ3  TRP   7           3HZ      TRP   7  10.631  -6.665  -1.758
   55    HH2  TRP   7           HH       TRP   7  11.292  -5.354  -3.757
   56    H    CYS   8           H        CYS   8   6.955  -1.166   0.161
   57    HA   CYS   8           HA       CYS   8   5.773  -3.537  -1.282
   58    HB2  CYS   8           2HB      CYS   8   3.863  -2.317  -0.624
   59    HB3  CYS   8           1HB      CYS   8   4.690  -0.769  -0.752
   60    H    LYS   9           H        LYS   9   5.532  -2.933  -3.747
   61    HA   LYS   9           HA       LYS   9   7.834  -1.191  -4.560
   62    HB2  LYS   9           2HB      LYS   9   8.279  -3.649  -4.974
   63    HB3  LYS   9           1HB      LYS   9   6.901  -3.647  -6.079
   64    HG2  LYS   9           2HG      LYS   9   8.830  -3.263  -7.448
   65    HG3  LYS   9           1HG      LYS   9   8.030  -1.701  -7.285
   66    HD2  LYS   9           2HD      LYS   9   9.758  -1.826  -5.074
   67    HD3  LYS   9           1HD      LYS   9  10.695  -2.524  -6.386
   68    HE2  LYS   9           2HE      LYS   9  11.015  -0.488  -7.324
   69    HE3  LYS   9           1HE      LYS   9   9.295  -0.117  -7.272
   70    HZ1  LYS   9           3HZ      LYS   9  10.578   1.415  -5.915
   71    HZ2  LYS   9           1HZ      LYS   9  11.178   0.123  -4.991
   72    HZ3  LYS   9           2HZ      LYS   9   9.520   0.494  -4.955
   73    H    GLU  10           H        GLU  10   4.638  -2.425  -5.281
   74    HA   GLU  10           HA       GLU  10   3.987   0.100  -6.662
   75    HB2  GLU  10           2HB      GLU  10   3.465  -2.590  -7.956
   76    HB3  GLU  10           1HB      GLU  10   2.961  -1.026  -8.579
   77    HG2  GLU  10           2HG      GLU  10   5.350  -0.338  -8.738
   78    HG3  GLU  10           1HG      GLU  10   5.826  -1.955  -8.207
   79    H    LYS  11           H        LYS  11   1.516   0.067  -7.050
   80    HA   LYS  11           HA       LYS  11   0.221  -0.514  -4.588
   81    HB2  LYS  11           2HB      LYS  11  -0.652   1.150  -6.165
   82    HB3  LYS  11           1HB      LYS  11  -0.966  -0.110  -7.353
   83    HG2  LYS  11           2HG      LYS  11  -3.045   0.463  -6.220
   84    HG3  LYS  11           1HG      LYS  11  -2.567  -1.169  -5.767
   85    HD2  LYS  11           2HD      LYS  11  -2.469  -0.599  -3.588
   86    HD3  LYS  11           1HD      LYS  11  -1.387   0.751  -3.933
   87    HE2  LYS  11           2HE      LYS  11  -4.395   0.842  -4.305
   88    HE3  LYS  11           1HE      LYS  11  -3.551   1.465  -2.887
   89    HZ1  LYS  11           3HZ      LYS  11  -2.241   2.484  -5.100
   90    HZ2  LYS  11           1HZ      LYS  11  -3.214   3.333  -4.003
   91    HZ3  LYS  11           2HZ      LYS  11  -3.899   2.679  -5.414
   92    H    LYS  12           H        LYS  12   0.898  -2.459  -7.356
   93    HA   LYS  12           HA       LYS  12  -0.992  -4.577  -6.530
   94    HB2  LYS  12           2HB      LYS  12  -0.851  -4.142  -8.902
   95    HB3  LYS  12           1HB      LYS  12   0.903  -4.334  -8.878
   96    HG2  LYS  12           2HG      LYS  12   0.684  -6.684  -8.270
   97    HG3  LYS  12           1HG      LYS  12  -1.066  -6.514  -8.128
   98    HD2  LYS  12           2HD      LYS  12  -1.296  -6.104 -10.487
   99    HD3  LYS  12           1HD      LYS  12   0.451  -5.965 -10.691
  100    HE2  LYS  12           2HE      LYS  12  -0.990  -8.479  -9.788
  101    HE3  LYS  12           1HE      LYS  12  -0.395  -8.186 -11.423
  102    HZ1  LYS  12           3HZ      LYS  12   1.602  -8.850 -10.787
  103    HZ2  LYS  12           1HZ      LYS  12   1.025  -9.156  -9.221
  104    HZ3  LYS  12           2HZ      LYS  12   1.663  -7.628  -9.608
  105    H    ASP  13           H        ASP  13   2.506  -3.964  -6.601
  106    HA   ASP  13           HA       ASP  13   3.354  -6.634  -6.062
  107    HB2  ASP  13           2HB      ASP  13   4.520  -3.971  -6.124
  108    HB3  ASP  13           1HB      ASP  13   5.220  -4.951  -4.845
  109    H    CYS  14           H        CYS  14   1.551  -4.592  -4.135
  110    HA   CYS  14           HA       CYS  14   2.624  -5.632  -1.578
  111    HB2  CYS  14           2HB      CYS  14   2.083  -3.319  -1.528
  112    HB3  CYS  14           1HB      CYS  14   0.527  -3.572  -2.290
  113    H    CYS  15           H        CYS  15   1.049  -6.661  -0.036
  114    HA   CYS  15           HA       CYS  15  -0.275  -8.827  -1.210
  115    HB2  CYS  15           2HB      CYS  15  -0.675  -7.510   1.490
  116    HB3  CYS  15           1HB      CYS  15  -1.340  -9.058   1.026
  117    H    CYS  16           H        CYS  16  -2.373  -9.152  -1.877
  118    HA   CYS  16           HA       CYS  16  -3.839  -6.946  -2.820
  119    HB2  CYS  16           2HB      CYS  16  -4.262  -9.841  -2.510
  120    HB3  CYS  16           1HB      CYS  16  -5.741  -8.900  -2.526
  121    H    GLY  17           H        GLY  17  -5.189  -5.542  -1.828
  122    HA2  GLY  17           2HA      GLY  17  -7.006  -5.057  -0.267
  123    HA3  GLY  17           1HA      GLY  17  -6.381  -6.316   0.799
  124    H    TYR  18           H        TYR  18  -3.643  -4.821  -0.271
  125    HA   TYR  18           HA       TYR  18  -3.780  -2.812   2.016
  126    HB2  TYR  18           2HB      TYR  18  -1.471  -4.494   1.021
  127    HB3  TYR  18           1HB      TYR  18  -1.304  -3.204   2.212
  128    HD1  TYR  18           1HD      TYR  18  -2.699  -6.528   1.513
  129    HD2  TYR  18           2HD      TYR  18  -2.186  -3.455   4.457
  130    HE1  TYR  18           1HE      TYR  18  -3.467  -8.101   3.281
  131    HE2  TYR  18           2HE      TYR  18  -2.960  -5.020   6.226
  132    HH   TYR  18           HH       TYR  18  -3.705  -7.048   6.688
  133    H    ASN  19           H        ASN  19  -3.027  -0.739   1.580
  134    HA   ASN  19           HA       ASN  19  -2.642  -0.095  -1.285
  135    HB2  ASN  19           2HB      ASN  19  -3.163   2.120  -0.725
  136    HB3  ASN  19           1HB      ASN  19  -4.117   1.219   0.452
  137   HD21  ASN  19          1HD2      ASN  19  -2.579   3.968   0.493
  138   HD22  ASN  19          2HD2      ASN  19  -1.742   3.902   1.966
  139    H    CYS  20           H        CYS  20  -0.724   0.808  -2.098
  140    HA   CYS  20           HA       CYS  20   1.666   0.295  -0.492
  141    HB2  CYS  20           2HB      CYS  20   1.061   0.865  -3.361
  142    HB3  CYS  20           1HB      CYS  20   2.692   1.009  -2.774
  143    H    VAL  21           H        VAL  21   2.998   1.839   0.316
  144    HA   VAL  21           HA       VAL  21   2.349   4.704  -0.283
  145    HB   VAL  21           HB       VAL  21   3.303   3.369   2.268
  146   HG11  VAL  21          1HG1      VAL  21   4.590   5.499   1.725
  147   HG12  VAL  21          2HG1      VAL  21   3.679   5.537   3.231
  148   HG13  VAL  21          3HG1      VAL  21   3.047   6.353   1.799
  149   HG21  VAL  21          3HG2      VAL  21   1.063   5.357   2.022
  150   HG22  VAL  21          1HG2      VAL  21   1.255   4.027   3.163
  151   HG23  VAL  21          2HG2      VAL  21   0.791   3.695   1.495
  152    H    TYR  22           H        TYR  22   3.865   5.156  -1.873
  153    HA   TYR  22           HA       TYR  22   6.582   4.032  -1.736
  154    HB2  TYR  22           2HB      TYR  22   5.602   4.601  -3.883
  155    HB3  TYR  22           1HB      TYR  22   5.354   6.267  -3.373
  156    HD1  TYR  22           2HD      TYR  22   8.337   4.022  -2.956
  157    HD2  TYR  22           1HD      TYR  22   6.724   7.589  -4.726
  158    HE1  TYR  22           2HE      TYR  22  10.588   4.626  -3.792
  159    HE2  TYR  22           1HE      TYR  22   8.977   8.191  -5.562
  160    HH   TYR  22           HH       TYR  22  11.695   5.972  -5.274
  161    H    ALA  23           H        ALA  23   8.045   4.704  -0.227
  162    HA   ALA  23           HA       ALA  23   7.804   7.452   0.865
  163    HB1  ALA  23           1HB      ALA  23   8.176   5.245   2.246
  164    HB2  ALA  23           2HB      ALA  23   9.016   6.725   2.710
  165    HB3  ALA  23           3HB      ALA  23   9.866   5.480   1.797
  166    H    TRP  24           H        TRP  24   8.636   8.642  -0.911
  167    HA   TRP  24           HA       TRP  24  11.026   8.185  -2.316
  168    HB2  TRP  24           2HB      TRP  24  11.116  10.726  -2.498
  169    HB3  TRP  24           1HB      TRP  24   9.620   9.968  -3.037
  170    HD1  TRP  24           HD       TRP  24   9.591   9.808   0.615
  171    HE1  TRP  24           1HE      TRP  24   8.191  11.715   1.622
  172    HE3  TRP  24           3HE      TRP  24   9.150  12.838  -3.476
  173    HZ2  TRP  24           2HZ      TRP  24   7.036  14.197   0.810
  174    HZ3  TRP  24           3HZ      TRP  24   7.894  14.968  -3.327
  175    HH2  TRP  24           HH       TRP  24   6.838  15.651  -1.191
  176    H    TYR  25           H        TYR  25  10.719   8.421   0.998
  177    HA   TYR  25           HA       TYR  25  12.924  10.136   1.741
  178    HB2  TYR  25           2HB      TYR  25  11.170   8.221   2.985
  179    HB3  TYR  25           1HB      TYR  25  12.818   7.905   3.518
  180    HD1  TYR  25           2HD      TYR  25  10.332  10.655   3.081
  181    HD2  TYR  25           1HD      TYR  25  13.824   9.267   5.159
  182    HE1  TYR  25           2HE      TYR  25  10.210  12.615   4.596
  183    HE2  TYR  25           1HE      TYR  25  13.703  11.223   6.677
  184    HH   TYR  25           HH       TYR  25  11.794  12.811   7.481
  185    H    ASN  26           H        ASN  26  12.884   6.611   1.135
  186    HA   ASN  26           HA       ASN  26  15.677   6.791   0.217
  187    HB2  ASN  26           2HB      ASN  26  16.187   4.746   1.766
  188    HB3  ASN  26           1HB      ASN  26  16.238   6.371   2.450
  189   HD21  ASN  26          1HD2      ASN  26  14.418   7.058   3.811
  190   HD22  ASN  26          2HD2      ASN  26  13.346   5.917   4.469
  191    H    GLN  27           H        GLN  27  13.448   6.277  -1.300
  192    HA   GLN  27           HA       GLN  27  12.505   4.717  -2.765
  193    HB2  GLN  27           2HB      GLN  27  15.194   3.409  -2.277
  194    HB3  GLN  27           1HB      GLN  27  14.088   2.980  -3.583
  195    HG2  GLN  27           2HG      GLN  27  15.287   5.733  -3.148
  196    HG3  GLN  27           1HG      GLN  27  15.833   4.566  -4.352
  197   HE21  GLN  27          1HE2      GLN  27  14.274   7.332  -4.416
  198   HE22  GLN  27          2HE2      GLN  27  13.035   7.020  -5.532
  199    H    GLN  28           H        GLN  28  11.789   4.363   0.030
  200    HA   GLN  28           HA       GLN  28  11.478   1.378   0.083
  201    HB2  GLN  28           2HB      GLN  28  12.870   2.326   1.947
  202    HB3  GLN  28           1HB      GLN  28  11.472   3.274   2.450
  203    HG2  GLN  28           2HG      GLN  28  10.177   1.105   2.626
  204    HG3  GLN  28           1HG      GLN  28  11.700   0.256   2.361
  205   HE21  GLN  28          1HE2      GLN  28  13.287   2.301   3.876
  206   HE22  GLN  28          2HE2      GLN  28  12.922   2.041   5.515
  207    H    SER  29           H        SER  29   9.407   0.897  -0.497
  208    HA   SER  29           HA       SER  29   7.253   2.850   0.083
  209    HB2  SER  29           2HB      SER  29   7.074   0.242  -1.414
  210    HB3  SER  29           1HB      SER  29   5.886   1.530  -1.407
  211    HG   SER  29           HG       SER  29   6.998   2.483  -2.906
  212    H    SER  30           H        SER  30   5.104   1.713   0.833
  213    HA   SER  30           HA       SER  30   5.600  -0.546   2.615
  214    HB2  SER  30           2HB      SER  30   5.865   1.803   3.769
  215    HB3  SER  30           1HB      SER  30   4.104   1.775   3.747
  216    HG   SER  30           HG       SER  30   4.107   0.193   5.165
  217    H    CYS  31           H        CYS  31   3.108  -0.315   3.955
  218    HA   CYS  31           HA       CYS  31   0.992  -0.079   1.983
  219    HB2  CYS  31           2HB      CYS  31   2.369  -2.501   1.943
  220    HB3  CYS  31           1HB      CYS  31   0.937  -2.849   2.895
  221    H    GLU  32           H        GLU  32  -0.985   0.110   2.943
  222    HA   GLU  32           HA       GLU  32  -1.388  -0.904   5.694
  223    HB2  GLU  32           2HB      GLU  32  -1.560   1.115   6.739
  224    HB3  GLU  32           1HB      GLU  32  -0.527   1.657   5.418
  225    HG2  GLU  32           2HG      GLU  32  -2.462   2.389   4.143
  226    HG3  GLU  32           1HG      GLU  32  -3.548   1.729   5.363
  227    H    ARG  33           H        ARG  33  -3.580  -1.359   6.141
  228    HA   ARG  33           HA       ARG  33  -5.253  -1.960   3.946
  229    HB2  ARG  33           2HB      ARG  33  -7.018  -2.388   5.539
  230    HB3  ARG  33           1HB      ARG  33  -5.495  -2.952   6.221
  231    HG2  ARG  33           2HG      ARG  33  -5.683  -1.543   7.975
  232    HG3  ARG  33           1HG      ARG  33  -5.953  -0.166   6.921
  233    HD2  ARG  33           2HD      ARG  33  -7.887  -0.561   8.423
  234    HD3  ARG  33           1HD      ARG  33  -8.335  -0.753   6.728
  235    HE   ARG  33           HE       ARG  33  -8.737  -3.035   7.156
  236   HH11  ARG  33          1HH2      ARG  33  -6.806  -1.568   9.603
  237   HH12  ARG  33          2HH2      ARG  33  -6.821  -2.958  10.638
  238   HH21  ARG  33          2HH1      ARG  33  -8.779  -4.858   8.492
  239   HH22  ARG  33          1HH1      ARG  33  -7.937  -4.825  10.050
  240    H    LYS  34           H        LYS  34  -6.063  -0.492   2.560
  241    HA   LYS  34           HA       LYS  34  -7.846   1.555   3.544
  242    HB2  LYS  34           2HB      LYS  34  -5.299   2.255   2.067
  243    HB3  LYS  34           1HB      LYS  34  -6.691   3.328   2.073
  244    HG2  LYS  34           2HG      LYS  34  -5.787   2.365   4.744
  245    HG3  LYS  34           1HG      LYS  34  -4.690   3.451   3.923
  246    HD2  LYS  34           2HD      LYS  34  -6.011   4.993   5.027
  247    HD3  LYS  34           1HD      LYS  34  -6.914   4.859   3.523
  248    HE2  LYS  34           2HE      LYS  34  -8.241   4.686   5.729
  249    HE3  LYS  34           1HE      LYS  34  -8.557   3.464   4.501
  250    HZ1  LYS  34           3HZ      LYS  34  -8.184   2.653   6.852
  251    HZ2  LYS  34           1HZ      LYS  34  -6.553   3.069   6.644
  252    HZ3  LYS  34           2HZ      LYS  34  -7.265   1.896   5.641
  253    H    TRP  35           H        TRP  35  -8.669  -0.575   2.289
  254    HA   TRP  35           HA       TRP  35  -8.876   0.131  -0.618
  255    HB2  TRP  35           2HB      TRP  35  -8.983  -2.508   0.833
  256    HB3  TRP  35           1HB      TRP  35  -9.581  -2.331  -0.817
  257    HD1  TRP  35           HD       TRP  35  -6.365  -1.655   1.204
  258    HE1  TRP  35           1HE      TRP  35  -4.358  -1.983  -0.375
  259    HE3  TRP  35           3HE      TRP  35  -8.819  -2.588  -3.165
  260    HZ2  TRP  35           2HZ      TRP  35  -3.853  -2.570  -3.132
  261    HZ3  TRP  35           3HZ      TRP  35  -7.562  -3.030  -5.251
  262    HH2  TRP  35           HH       TRP  35  -5.081  -3.024  -5.241
  263    H    LYS  36           H        LYS  36 -10.672  -0.077   2.253
  264    HA   LYS  36           HA       LYS  36 -13.002  -0.219   2.663
  265    HB2  LYS  36           2HB      LYS  36 -13.867   1.793   2.057
  266    HB3  LYS  36           1HB      LYS  36 -12.271   2.089   1.381
  267    HG2  LYS  36           2HG      LYS  36 -13.158   1.054  -0.793
  268    HG3  LYS  36           1HG      LYS  36 -14.760   1.171  -0.066
  269    HD2  LYS  36           2HD      LYS  36 -13.891   3.674   0.432
  270    HD3  LYS  36           1HD      LYS  36 -12.939   3.336  -1.012
  271    HE2  LYS  36           2HE      LYS  36 -14.744   3.675  -2.321
  272    HE3  LYS  36           1HE      LYS  36 -15.662   2.458  -1.440
  273    HZ1  LYS  36           3HZ      LYS  36 -16.642   3.997  -0.142
  274    HZ2  LYS  36           1HZ      LYS  36 -16.307   5.022  -1.452
  275    HZ3  LYS  36           2HZ      LYS  36 -15.279   5.012  -0.100
  276    H    TYR  37           H        TYR  37 -11.772  -1.986   0.290
  277    HA   TYR  37           HA       TYR  37 -14.460  -2.577  -0.993
  278    HB2  TYR  37           2HB      TYR  37 -11.642  -3.325  -1.828
  279    HB3  TYR  37           1HB      TYR  37 -13.097  -3.921  -2.624
  280    HD1  TYR  37           1HD      TYR  37 -14.843  -2.033  -3.307
  281    HD2  TYR  37           2HD      TYR  37 -10.651  -1.380  -2.648
  282    HE1  TYR  37           1HE      TYR  37 -14.951   0.038  -4.668
  283    HE2  TYR  37           2HE      TYR  37 -10.759   0.690  -4.004
  284    HH   TYR  37           HH       TYR  37 -13.818   1.750  -5.499
  285    H    LEU  38           H        LEU  38 -14.236  -3.409   1.611
  286    HA   LEU  38           HA       LEU  38 -13.136  -5.978   2.009
  287    HB2  LEU  38           2HB      LEU  38 -13.856  -4.544   3.876
  288    HB3  LEU  38           1HB      LEU  38 -15.531  -4.708   3.357
  289    HG   LEU  38           HG       LEU  38 -15.456  -7.123   3.766
  290   HD11  LEU  38          1HD1      LEU  38 -12.548  -6.522   4.258
  291   HD12  LEU  38          2HD1      LEU  38 -13.266  -7.824   3.308
  292   HD13  LEU  38          3HD1      LEU  38 -13.308  -7.890   5.070
  293   HD21  LEU  38          3HD2      LEU  38 -16.011  -5.592   5.645
  294   HD22  LEU  38          1HD2      LEU  38 -14.308  -5.556   6.098
  295   HD23  LEU  38          2HD2      LEU  38 -15.217  -7.062   6.211
  296    H    PHE  39           H        PHE  39 -16.184  -4.902   0.667
  297    HA   PHE  39           HA       PHE  39 -17.648  -7.292   0.706
  298    HB2  PHE  39           2HB      PHE  39 -18.651  -5.211  -0.030
  299    HB3  PHE  39           1HB      PHE  39 -17.540  -5.124  -1.395
  300    HD1  PHE  39           1HD      PHE  39 -20.303  -7.147   0.090
  301    HD2  PHE  39           2HD      PHE  39 -18.015  -6.237  -3.431
  302    HE1  PHE  39           1HE      PHE  39 -21.882  -8.477  -1.281
  303    HE2  PHE  39           2HE      PHE  39 -19.595  -7.568  -4.802
  304    HZ   PHE  39           HZ       PHE  39 -21.529  -8.689  -3.727
  305    H    THR  40           H        THR  40 -15.291  -6.183  -1.651
  306    HA   THR  40           HA       THR  40 -15.429  -8.650  -3.216
  307    HB   THR  40           HB       THR  40 -13.198  -6.600  -3.267
  308    HG1  THR  40           1HG      THR  40 -14.699  -5.950  -5.152
  309   HG21  THR  40          3HG2      THR  40 -14.334  -8.547  -5.294
  310   HG22  THR  40          1HG2      THR  40 -12.750  -8.637  -4.522
  311   HG23  THR  40          2HG2      THR  40 -13.104  -7.335  -5.658
  312    H    GLY  41           H        GLY  41 -13.492 -10.123  -3.408
  313    HA2  GLY  41           2HA      GLY  41 -12.072 -10.318  -0.773
  314    HA3  GLY  41           1HA      GLY  41 -12.580 -11.725  -1.702
  315    H    GLU  42           H        GLU  42 -11.420  -9.265  -3.735
  316    HA   GLU  42           HA       GLU  42  -8.633 -10.307  -3.614
  317    HB2  GLU  42           2HB      GLU  42  -8.533 -10.870  -5.894
  318    HB3  GLU  42           1HB      GLU  42 -10.113 -11.480  -5.409
  319    HG2  GLU  42           2HG      GLU  42 -11.228  -9.554  -6.348
  320    HG3  GLU  42           1HG      GLU  42  -9.687  -8.751  -6.664
  321    H    CYS  43           H        CYS  43  -7.378  -8.936  -5.466
  322    HA   CYS  43           HA       CYS  43  -8.314  -6.119  -5.399
  323    HB2  CYS  43           2HB      CYS  43  -6.500  -5.304  -4.228
  324    HB3  CYS  43           1HB      CYS  43  -6.622  -6.892  -3.472
  325    HXT  CYS  43           2HT      CYS  43  -5.231  -5.936  -7.207
  Start of MODEL   20
    1    H1   CYS   1           1H       CYS   1   5.609 -10.060  -0.889
    2    H2   CYS   1           2H       CYS   1   4.425 -10.920  -0.119
    3    H3   CYS   1           3H       CYS   1   4.525 -10.917  -1.797
    4    HA   CYS   1           HA       CYS   1   3.932  -8.580  -1.866
    5    HB2  CYS   1           2HB      CYS   1   1.615  -8.865  -1.309
    6    HB3  CYS   1           1HB      CYS   1   2.184 -10.430  -1.870
    7    H    GLY   2           H        GLY   2   4.075  -6.648  -0.752
    8    HA2  GLY   2           2HA      GLY   2   4.676  -6.791   2.134
    9    HA3  GLY   2           1HA      GLY   2   4.790  -5.354   1.119
   10    H    SER   3           H        SER   3   2.963  -6.793   3.537
   11    HA   SER   3           HA       SER   3   0.421  -5.468   2.735
   12    HB2  SER   3           2HB      SER   3   1.193  -7.447   4.871
   13    HB3  SER   3           1HB      SER   3  -0.267  -6.486   5.071
   14    HG   SER   3           HG       SER   3   0.385  -8.386   3.103
   15    H    LYS   4           H        LYS   4  -0.410  -4.750   5.439
   16    HA   LYS   4           HA       LYS   4   0.547  -2.148   5.643
   17    HB2  LYS   4           2HB      LYS   4  -1.338  -3.185   7.002
   18    HB3  LYS   4           1HB      LYS   4  -0.105  -3.833   8.076
   19    HG2  LYS   4           2HG      LYS   4   0.308  -0.989   7.547
   20    HG3  LYS   4           1HG      LYS   4  -1.283  -1.295   8.238
   21    HD2  LYS   4           2HD      LYS   4  -0.371  -2.295  10.178
   22    HD3  LYS   4           1HD      LYS   4   1.216  -2.501   9.430
   23    HE2  LYS   4           2HE      LYS   4   1.329   0.041   9.259
   24    HE3  LYS   4           1HE      LYS   4  -0.098   0.088  10.295
   25    HZ1  LYS   4           3HZ      LYS   4   2.554  -0.156  11.067
   26    HZ2  LYS   4           1HZ      LYS   4   1.828  -1.652  11.395
   27    HZ3  LYS   4           2HZ      LYS   4   1.176  -0.232  12.057
   28    H    ARG   5           H        ARG   5   2.295  -1.164   6.794
   29    HA   ARG   5           HA       ARG   5   4.604  -1.108   7.197
   30    HB2  ARG   5           2HB      ARG   5   5.108  -1.806   9.381
   31    HB3  ARG   5           1HB      ARG   5   3.369  -1.562   9.430
   32    HG2  ARG   5           2HG      ARG   5   3.162  -4.073   8.935
   33    HG3  ARG   5           1HG      ARG   5   4.881  -4.173   9.304
   34    HD2  ARG   5           2HD      ARG   5   2.778  -3.047  11.166
   35    HD3  ARG   5           1HD      ARG   5   3.478  -4.659  11.289
   36    HE   ARG   5           HE       ARG   5   4.815  -2.133  11.987
   37   HH11  ARG   5          1HH2      ARG   5   5.043  -5.493  11.218
   38   HH12  ARG   5          2HH2      ARG   5   6.561  -5.707  12.023
   39   HH21  ARG   5          2HH1      ARG   5   6.794  -2.399  13.035
   40   HH22  ARG   5          1HH1      ARG   5   7.552  -3.955  13.050
   41    H    ALA   6           H        ALA   6   5.095  -2.072   5.143
   42    HA   ALA   6           HA       ALA   6   6.957  -4.234   5.275
   43    HB1  ALA   6           1HB      ALA   6   4.921  -5.634   5.540
   44    HB2  ALA   6           2HB      ALA   6   5.737  -5.965   4.016
   45    HB3  ALA   6           3HB      ALA   6   4.284  -4.971   4.037
   46    H    TRP   7           H        TRP   7   8.304  -3.821   3.624
   47    HA   TRP   7           HA       TRP   7   8.085  -1.820   1.756
   48    HB2  TRP   7           2HB      TRP   7  10.166  -3.004   2.174
   49    HB3  TRP   7           1HB      TRP   7   9.520  -4.455   1.406
   50    HD1  TRP   7           HD       TRP   7  10.361  -0.786   0.530
   51    HE1  TRP   7           1HE      TRP   7  10.962  -0.680  -1.978
   52    HE3  TRP   7           3HE      TRP   7   9.452  -5.631  -0.799
   53    HZ2  TRP   7           2HZ      TRP   7  11.036  -2.433  -4.251
   54    HZ3  TRP   7           3HZ      TRP   7   9.802  -6.385  -3.132
   55    HH2  TRP   7           HH       TRP   7  10.601  -4.795  -4.855
   56    H    CYS   8           H        CYS   8   7.092  -1.470  -0.155
   57    HA   CYS   8           HA       CYS   8   5.687  -3.776  -1.514
   58    HB2  CYS   8           2HB      CYS   8   3.817  -2.579  -0.806
   59    HB3  CYS   8           1HB      CYS   8   4.700  -1.062  -0.691
   60    H    LYS   9           H        LYS   9   6.106  -3.918  -3.694
   61    HA   LYS   9           HA       LYS   9   8.144  -2.126  -4.835
   62    HB2  LYS   9           2HB      LYS   9   8.410  -4.423  -5.407
   63    HB3  LYS   9           1HB      LYS   9   6.719  -4.603  -5.778
   64    HG2  LYS   9           2HG      LYS   9   6.984  -3.130  -7.749
   65    HG3  LYS   9           1HG      LYS   9   8.705  -2.990  -7.384
   66    HD2  LYS   9           2HD      LYS   9   8.948  -5.442  -7.629
   67    HD3  LYS   9           1HD      LYS   9   7.228  -5.575  -7.994
   68    HE2  LYS   9           2HE      LYS   9   8.849  -3.666  -9.635
   69    HE3  LYS   9           1HE      LYS   9   9.044  -5.392  -9.946
   70    HZ1  LYS   9           3HZ      LYS   9   7.181  -4.015 -11.133
   71    HZ2  LYS   9           1HZ      LYS   9   6.327  -4.318  -9.698
   72    HZ3  LYS   9           2HZ      LYS   9   6.898  -5.615 -10.636
   73    H    GLU  10           H        GLU  10   4.742  -2.924  -5.318
   74    HA   GLU  10           HA       GLU  10   4.217  -0.258  -6.381
   75    HB2  GLU  10           2HB      GLU  10   4.828  -1.271  -8.463
   76    HB3  GLU  10           1HB      GLU  10   3.863  -2.703  -8.135
   77    HG2  GLU  10           2HG      GLU  10   1.826  -1.442  -8.348
   78    HG3  GLU  10           1HG      GLU  10   2.706   0.084  -8.397
   79    H    LYS  11           H        LYS  11   1.733  -0.342  -7.072
   80    HA   LYS  11           HA       LYS  11   0.309  -0.948  -4.674
   81    HB2  LYS  11           2HB      LYS  11  -0.500   0.653  -6.429
   82    HB3  LYS  11           1HB      LYS  11  -0.879  -0.727  -7.462
   83    HG2  LYS  11           2HG      LYS  11  -2.438  -1.597  -5.783
   84    HG3  LYS  11           1HG      LYS  11  -2.015  -0.288  -4.684
   85    HD2  LYS  11           2HD      LYS  11  -3.791   0.803  -5.594
   86    HD3  LYS  11           1HD      LYS  11  -2.726   1.098  -6.968
   87    HE2  LYS  11           2HE      LYS  11  -4.784  -1.091  -6.641
   88    HE3  LYS  11           1HE      LYS  11  -4.693   0.138  -7.902
   89    HZ1  LYS  11           3HZ      LYS  11  -2.520  -1.823  -7.516
   90    HZ2  LYS  11           1HZ      LYS  11  -2.882  -0.903  -8.892
   91    HZ3  LYS  11           2HZ      LYS  11  -3.884  -2.203  -8.452
   92    H    LYS  12           H        LYS  12   0.587  -2.762  -7.724
   93    HA   LYS  12           HA       LYS  12  -1.118  -4.917  -6.867
   94    HB2  LYS  12           2HB      LYS  12  -0.253  -4.202  -9.271
   95    HB3  LYS  12           1HB      LYS  12   1.047  -5.334  -8.908
   96    HG2  LYS  12           2HG      LYS  12  -1.793  -6.205  -8.438
   97    HG3  LYS  12           1HG      LYS  12  -1.181  -6.167 -10.087
   98    HD2  LYS  12           2HD      LYS  12   0.375  -7.845  -9.707
   99    HD3  LYS  12           1HD      LYS  12   0.497  -7.492  -7.986
  100    HE2  LYS  12           2HE      LYS  12  -2.151  -8.439  -8.990
  101    HE3  LYS  12           1HE      LYS  12  -0.849  -9.625  -8.891
  102    HZ1  LYS  12           3HZ      LYS  12  -2.195  -9.420  -6.835
  103    HZ2  LYS  12           1HZ      LYS  12  -1.625  -7.833  -6.658
  104    HZ3  LYS  12           2HZ      LYS  12  -0.537  -9.135  -6.598
  105    H    ASP  13           H        ASP  13   2.410  -4.413  -6.688
  106    HA   ASP  13           HA       ASP  13   3.127  -7.056  -5.923
  107    HB2  ASP  13           2HB      ASP  13   4.629  -4.947  -6.420
  108    HB3  ASP  13           1HB      ASP  13   4.525  -4.708  -4.686
  109    H    CYS  14           H        CYS  14   1.558  -4.543  -4.098
  110    HA   CYS  14           HA       CYS  14   2.231  -5.702  -1.504
  111    HB2  CYS  14           2HB      CYS  14   1.803  -3.366  -1.575
  112    HB3  CYS  14           1HB      CYS  14   0.275  -3.580  -2.414
  113    H    CYS  15           H        CYS  15   0.914  -7.036  -0.259
  114    HA   CYS  15           HA       CYS  15  -0.658  -8.933  -1.552
  115    HB2  CYS  15           2HB      CYS  15  -0.014  -8.227   1.172
  116    HB3  CYS  15           1HB      CYS  15  -1.699  -8.718   1.064
  117    H    CYS  16           H        CYS  16  -2.541  -8.799  -2.530
  118    HA   CYS  16           HA       CYS  16  -4.133  -6.621  -2.945
  119    HB2  CYS  16           2HB      CYS  16  -4.372  -9.210  -3.603
  120    HB3  CYS  16           1HB      CYS  16  -5.612  -9.143  -2.359
  121    H    GLY  17           H        GLY  17  -5.634  -5.418  -1.803
  122    HA2  GLY  17           2HA      GLY  17  -7.270  -5.111  -0.032
  123    HA3  GLY  17           1HA      GLY  17  -6.475  -6.385   0.888
  124    H    TYR  18           H        TYR  18  -3.830  -4.910  -0.115
  125    HA   TYR  18           HA       TYR  18  -3.927  -2.920   2.180
  126    HB2  TYR  18           2HB      TYR  18  -1.720  -4.628   1.065
  127    HB3  TYR  18           1HB      TYR  18  -1.387  -3.252   2.112
  128    HD1  TYR  18           1HD      TYR  18  -2.216  -3.203   4.414
  129    HD2  TYR  18           2HD      TYR  18  -2.733  -6.638   1.902
  130    HE1  TYR  18           1HE      TYR  18  -2.779  -4.572   6.408
  131    HE2  TYR  18           2HE      TYR  18  -3.289  -8.018   3.896
  132    HH   TYR  18           HH       TYR  18  -2.973  -8.003   6.286
  133    H    ASN  19           H        ASN  19  -2.927  -0.868   1.895
  134    HA   ASN  19           HA       ASN  19  -2.875   0.026  -0.948
  135    HB2  ASN  19           2HB      ASN  19  -4.267   1.405   0.379
  136    HB3  ASN  19           1HB      ASN  19  -3.131   1.413   1.722
  137   HD21  ASN  19          1HD2      ASN  19  -1.806   3.223   1.855
  138   HD22  ASN  19          2HD2      ASN  19  -1.531   4.318   0.596
  139    H    CYS  20           H        CYS  20  -0.951   0.614  -1.945
  140    HA   CYS  20           HA       CYS  20   1.547   0.284  -0.454
  141    HB2  CYS  20           2HB      CYS  20   0.746   0.633  -3.304
  142    HB3  CYS  20           1HB      CYS  20   2.384   0.985  -2.860
  143    H    VAL  21           H        VAL  21   2.995   1.944   0.020
  144    HA   VAL  21           HA       VAL  21   2.212   4.711  -0.793
  145    HB   VAL  21           HB       VAL  21   1.686   3.822   1.713
  146   HG11  VAL  21          1HG1      VAL  21   4.296   3.473   1.891
  147   HG12  VAL  21          2HG1      VAL  21   3.400   4.123   3.252
  148   HG13  VAL  21          3HG1      VAL  21   4.305   5.207   2.193
  149   HG21  VAL  21          3HG2      VAL  21   2.534   6.516   0.685
  150   HG22  VAL  21          1HG2      VAL  21   2.148   6.317   2.396
  151   HG23  VAL  21          2HG2      VAL  21   0.930   5.961   1.170
  152    H    TYR  22           H        TYR  22   4.000   6.086  -1.225
  153    HA   TYR  22           HA       TYR  22   6.663   4.616  -1.132
  154    HB2  TYR  22           2HB      TYR  22   5.538   5.520  -3.345
  155    HB3  TYR  22           1HB      TYR  22   6.153   7.074  -2.791
  156    HD1  TYR  22           1HD      TYR  22   8.651   5.584  -1.351
  157    HD2  TYR  22           2HD      TYR  22   7.007   5.630  -5.326
  158    HE1  TYR  22           1HE      TYR  22  10.863   5.020  -2.271
  159    HE2  TYR  22           2HE      TYR  22   9.237   5.061  -6.240
  160    HH   TYR  22           HH       TYR  22  11.955   5.494  -4.847
  161    H    ALA  23           H        ALA  23   7.824   5.311   0.658
  162    HA   ALA  23           HA       ALA  23   7.389   8.072   1.644
  163    HB1  ALA  23           1HB      ALA  23   9.236   7.232   3.323
  164    HB2  ALA  23           2HB      ALA  23   8.802   5.644   2.702
  165    HB3  ALA  23           3HB      ALA  23   7.581   6.648   3.482
  166    H    TRP  24           H        TRP  24   8.379   9.358   0.049
  167    HA   TRP  24           HA       TRP  24  10.864   8.886  -1.185
  168    HB2  TRP  24           2HB      TRP  24  10.177  10.781  -2.204
  169    HB3  TRP  24           1HB      TRP  24   9.017  11.091  -0.915
  170    HD1  TRP  24           HD       TRP  24  10.090  12.289   1.338
  171    HE1  TRP  24           1HE      TRP  24  11.880  14.145   1.477
  172    HE3  TRP  24           3HE      TRP  24  12.182  11.820  -3.286
  173    HZ2  TRP  24           2HZ      TRP  24  13.932  15.276  -0.173
  174    HZ3  TRP  24           3HZ      TRP  24  14.050  13.292  -3.982
  175    HH2  TRP  24           HH       TRP  24  14.927  15.019  -2.433
  176    H    TYR  25           H        TYR  25  10.120  10.359   2.005
  177    HA   TYR  25           HA       TYR  25  12.830  11.234   2.536
  178    HB2  TYR  25           2HB      TYR  25  11.760  10.362   5.012
  179    HB3  TYR  25           1HB      TYR  25  11.757  12.003   4.375
  180    HD1  TYR  25           1HD      TYR  25   9.822   8.860   4.621
  181    HD2  TYR  25           2HD      TYR  25   9.761  12.993   3.474
  182    HE1  TYR  25           1HE      TYR  25   7.350   8.768   4.418
  183    HE2  TYR  25           2HE      TYR  25   7.291  12.904   3.266
  184    HH   TYR  25           HH       TYR  25   5.570  10.166   3.007
  185    H    ASN  26           H        ASN  26  11.233   8.115   3.245
  186    HA   ASN  26           HA       ASN  26  13.848   6.996   4.092
  187    HB2  ASN  26           2HB      ASN  26  11.080   5.750   3.958
  188    HB3  ASN  26           1HB      ASN  26  12.519   4.961   4.608
  189   HD21  ASN  26          1HD2      ASN  26   9.812   6.452   5.672
  190   HD22  ASN  26          2HD2      ASN  26  10.396   7.175   7.093
  191    H    GLN  27           H        GLN  27  12.119   7.460   1.261
  192    HA   GLN  27           HA       GLN  27  12.333   6.586  -0.895
  193    HB2  GLN  27           2HB      GLN  27  14.889   6.656   0.205
  194    HB3  GLN  27           1HB      GLN  27  14.754   5.003  -0.394
  195    HG2  GLN  27           2HG      GLN  27  15.569   6.240  -2.247
  196    HG3  GLN  27           1HG      GLN  27  13.843   6.058  -2.567
  197   HE21  GLN  27          1HE2      GLN  27  12.465   7.962  -2.292
  198   HE22  GLN  27          2HE2      GLN  27  13.128   9.520  -2.177
  199    H    GLN  28           H        GLN  28  11.563   4.807   1.685
  200    HA   GLN  28           HA       GLN  28  11.512   2.208   0.199
  201    HB2  GLN  28           2HB      GLN  28  11.255   2.807   3.162
  202    HB3  GLN  28           1HB      GLN  28  11.059   1.206   2.451
  203    HG2  GLN  28           2HG      GLN  28  13.556   2.896   2.170
  204    HG3  GLN  28           1HG      GLN  28  13.359   1.610   3.359
  205   HE21  GLN  28          1HE2      GLN  28  12.125  -0.411   1.921
  206   HE22  GLN  28          2HE2      GLN  28  13.098  -0.890   0.615
  207    H    SER  29           H        SER  29   9.524   1.309  -0.288
  208    HA   SER  29           HA       SER  29   7.152   2.972   0.345
  209    HB2  SER  29           2HB      SER  29   7.630   0.705  -1.589
  210    HB3  SER  29           1HB      SER  29   6.015   1.298  -1.239
  211    HG   SER  29           HG       SER  29   6.424   3.050  -2.341
  212    H    SER  30           H        SER  30   5.408   2.128   1.545
  213    HA   SER  30           HA       SER  30   5.653  -0.582   2.609
  214    HB2  SER  30           2HB      SER  30   5.620   0.060   4.868
  215    HB3  SER  30           1HB      SER  30   6.712   1.238   4.142
  216    HG   SER  30           HG       SER  30   5.284   2.464   5.221
  217    H    CYS  31           H        CYS  31   3.695  -1.579   2.562
  218    HA   CYS  31           HA       CYS  31   1.376  -0.127   1.686
  219    HB2  CYS  31           2HB      CYS  31   2.137  -2.822   1.824
  220    HB3  CYS  31           1HB      CYS  31   0.706  -2.695   2.843
  221    H    GLU  32           H        GLU  32  -0.708  -0.045   2.855
  222    HA   GLU  32           HA       GLU  32  -0.494  -0.107   5.808
  223    HB2  GLU  32           2HB      GLU  32  -1.182   2.374   4.209
  224    HB3  GLU  32           1HB      GLU  32  -1.451   2.208   5.943
  225    HG2  GLU  32           2HG      GLU  32   0.923   1.843   6.309
  226    HG3  GLU  32           1HG      GLU  32   1.240   1.925   4.581
  227    H    ARG  33           H        ARG  33  -2.439  -0.645   6.757
  228    HA   ARG  33           HA       ARG  33  -4.614  -1.490   5.063
  229    HB2  ARG  33           2HB      ARG  33  -5.511  -2.409   6.971
  230    HB3  ARG  33           1HB      ARG  33  -3.877  -2.165   7.565
  231    HG2  ARG  33           2HG      ARG  33  -5.929   0.023   7.917
  232    HG3  ARG  33           1HG      ARG  33  -5.907  -1.351   9.008
  233    HD2  ARG  33           2HD      ARG  33  -3.370   0.159   8.418
  234    HD3  ARG  33           1HD      ARG  33  -4.492   0.718   9.660
  235    HE   ARG  33           HE       ARG  33  -3.898  -2.091   9.995
  236   HH11  ARG  33          1HH2      ARG  33  -2.712   1.115  10.406
  237   HH12  ARG  33          2HH2      ARG  33  -1.687   0.709  11.742
  238   HH21  ARG  33          2HH1      ARG  33  -2.572  -2.643  11.745
  239   HH22  ARG  33          1HH1      ARG  33  -1.606  -1.419  12.501
  240    H    LYS  34           H        LYS  34  -6.293  -0.256   4.297
  241    HA   LYS  34           HA       LYS  34  -7.180   2.090   5.719
  242    HB2  LYS  34           2HB      LYS  34  -5.824   2.390   3.033
  243    HB3  LYS  34           1HB      LYS  34  -6.847   3.630   3.752
  244    HG2  LYS  34           2HG      LYS  34  -5.307   3.571   5.781
  245    HG3  LYS  34           1HG      LYS  34  -4.219   2.550   4.831
  246    HD2  LYS  34           2HD      LYS  34  -4.017   4.274   3.127
  247    HD3  LYS  34           1HD      LYS  34  -5.171   5.297   3.985
  248    HE2  LYS  34           2HE      LYS  34  -3.659   5.383   5.931
  249    HE3  LYS  34           1HE      LYS  34  -2.504   4.362   5.077
  250    HZ1  LYS  34           3HZ      LYS  34  -1.656   6.228   4.265
  251    HZ2  LYS  34           1HZ      LYS  34  -2.944   7.166   4.849
  252    HZ3  LYS  34           2HZ      LYS  34  -3.069   6.401   3.337
  253    H    TRP  35           H        TRP  35  -8.234  -0.477   4.646
  254    HA   TRP  35           HA       TRP  35 -10.358   0.608   2.821
  255    HB2  TRP  35           2HB      TRP  35  -9.133  -2.130   3.105
  256    HB3  TRP  35           1HB      TRP  35 -10.639  -1.860   2.223
  257    HD1  TRP  35           HD       TRP  35  -6.896  -1.261   2.025
  258    HE1  TRP  35           1HE      TRP  35  -6.302  -0.371  -0.322
  259    HE3  TRP  35           3HE      TRP  35 -11.585  -0.508   0.149
  260    HZ2  TRP  35           2HZ      TRP  35  -7.639   0.532  -2.680
  261    HZ3  TRP  35           3HZ      TRP  35 -11.894   0.365  -2.156
  262    HH2  TRP  35           HH       TRP  35  -9.927   0.883  -3.570
  263    H    LYS  36           H        LYS  36  -9.766  -0.297   5.930
  264    HA   LYS  36           HA       LYS  36 -11.826  -2.010   6.718
  265    HB2  LYS  36           2HB      LYS  36  -9.995  -0.280   7.996
  266    HB3  LYS  36           1HB      LYS  36 -11.575   0.177   8.617
  267    HG2  LYS  36           2HG      LYS  36 -10.831  -1.545  10.074
  268    HG3  LYS  36           1HG      LYS  36 -11.982  -2.335   8.997
  269    HD2  LYS  36           2HD      LYS  36  -9.969  -3.721   9.217
  270    HD3  LYS  36           1HD      LYS  36 -10.085  -3.101   7.573
  271    HE2  LYS  36           2HE      LYS  36  -8.270  -1.695   7.826
  272    HE3  LYS  36           1HE      LYS  36  -8.566  -1.449   9.546
  273    HZ1  LYS  36           3HZ      LYS  36  -7.908  -4.163   8.846
  274    HZ2  LYS  36           1HZ      LYS  36  -7.289  -3.179  10.081
  275    HZ3  LYS  36           2HZ      LYS  36  -6.668  -3.053   8.506
  276    H    TYR  37           H        TYR  37 -12.122   1.022   5.227
  277    HA   TYR  37           HA       TYR  37 -14.994   1.216   6.213
  278    HB2  TYR  37           2HB      TYR  37 -14.499   3.602   4.918
  279    HB3  TYR  37           1HB      TYR  37 -14.364   3.357   6.657
  280    HD1  TYR  37           2HD      TYR  37 -12.121   2.686   7.637
  281    HD2  TYR  37           1HD      TYR  37 -12.582   4.053   3.591
  282    HE1  TYR  37           2HE      TYR  37  -9.691   3.158   7.521
  283    HE2  TYR  37           1HE      TYR  37 -10.149   4.527   3.475
  284    HH   TYR  37           HH       TYR  37  -8.219   4.538   4.578
  285    H    LEU  38           H        LEU  38 -14.297  -0.670   4.244
  286    HA   LEU  38           HA       LEU  38 -15.856   0.339   2.010
  287    HB2  LEU  38           2HB      LEU  38 -13.101   0.240   1.801
  288    HB3  LEU  38           1HB      LEU  38 -13.572  -1.316   1.138
  289    HG   LEU  38           HG       LEU  38 -13.338   0.712  -0.472
  290   HD11  LEU  38          1HD1      LEU  38 -15.813  -1.017  -0.491
  291   HD12  LEU  38          2HD1      LEU  38 -14.252  -1.418  -1.190
  292   HD13  LEU  38          3HD1      LEU  38 -15.214  -0.110  -1.870
  293   HD21  LEU  38          3HD2      LEU  38 -16.163   1.263   0.441
  294   HD22  LEU  38          1HD2      LEU  38 -15.193   2.182  -0.703
  295   HD23  LEU  38          2HD2      LEU  38 -14.780   2.196   1.011
  296    H    PHE  39           H        PHE  39 -16.885  -1.411   0.790
  297    HA   PHE  39           HA       PHE  39 -17.921  -3.503   2.279
  298    HB2  PHE  39           2HB      PHE  39 -18.758  -2.934   0.037
  299    HB3  PHE  39           1HB      PHE  39 -17.261  -3.521  -0.684
  300    HD1  PHE  39           1HD      PHE  39 -19.732  -4.787   1.852
  301    HD2  PHE  39           2HD      PHE  39 -17.442  -5.621  -1.689
  302    HE1  PHE  39           1HE      PHE  39 -20.675  -7.076   1.780
  303    HE2  PHE  39           2HE      PHE  39 -18.391  -7.913  -1.757
  304    HZ   PHE  39           HZ       PHE  39 -20.030  -8.640  -0.022
  305    H    THR  40           H        THR  40 -16.816  -5.023   3.391
  306    HA   THR  40           HA       THR  40 -14.925  -6.322   4.021
  307    HB   THR  40           HB       THR  40 -15.465  -7.528   1.301
  308    HG1  THR  40           1HG      THR  40 -16.881  -8.617   3.288
  309   HG21  THR  40          3HG2      THR  40 -14.437  -8.529   3.955
  310   HG22  THR  40          1HG2      THR  40 -13.685  -8.664   2.366
  311   HG23  THR  40          2HG2      THR  40 -15.103  -9.633   2.755
  312    H    GLY  41           H        GLY  41 -13.785  -7.374   1.099
  313    HA2  GLY  41           2HA      GLY  41 -11.963  -5.155   0.539
  314    HA3  GLY  41           1HA      GLY  41 -11.190  -6.545   1.302
  315    H    GLU  42           H        GLU  42 -13.032  -8.472  -0.078
  316    HA   GLU  42           HA       GLU  42 -12.583  -9.872  -1.935
  317    HB2  GLU  42           2HB      GLU  42 -13.169  -8.378  -4.122
  318    HB3  GLU  42           1HB      GLU  42 -14.391  -9.051  -3.055
  319    HG2  GLU  42           2HG      GLU  42 -13.281  -6.361  -2.361
  320    HG3  GLU  42           1HG      GLU  42 -14.386  -6.469  -3.715
  321    H    CYS  43           H        CYS  43 -10.209  -9.650  -1.311
  322    HA   CYS  43           HA       CYS  43  -8.721  -8.707  -3.704
  323    HB2  CYS  43           2HB      CYS  43  -8.810  -7.258  -1.313
  324    HB3  CYS  43           1HB      CYS  43  -7.289  -8.137  -1.217
  325    HXT  CYS  43           2HT      CYS  43  -6.664 -11.448  -3.065