*HEADER    TOXIN                                   28-JAN-04   1S6X              
*TITLE     SOLUTION STRUCTURE OF VSTX                                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: KVAP CHANNEL;                                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: VSTX, GATING MODIFIER TOXIN;                                
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS PEPTIDE WAS SYNTHESIZED CHEMICALLY.              
*KEYWDS    DOUBLE STRANDED ANTIPARALLEL BETA-SHEET, INHIBITORY CYSTINE           
*KEYWDS   2 KNOT                                                                 
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    H.J.JUNG, Y.J.EU, J.I.KIM                                             
*REVDAT   1   22-MAR-05 1S6X    0                                                


! residue 1    Glu , intraresidue NOEs
assi (resi 1    and name HA  ) (resi 1    and name HB# )  2.50  0.70  0.20
assi (resi 1    and name HA  ) (resi 1    and name HG# )  4.00  2.20  2.60
assi (resi 1    and name HB# ) (resi 1    and name HG# )  3.00  1.20  0.50

! residue 2    Cys , intraresidue NOEs
assi (resi 2    and name HN  ) (resi 2    and name HA  )  3.00  1.20  0.50
assi (resi 2    and name HN  ) (resi 2    and name HB# )  3.00  1.20  1.10
assi (resi 2    and name HA  ) (resi 2    and name HB# )  2.50  0.70  0.20

! residue 3    Gly , intraresidue NOEs
assi (resi 3    and name HN  ) (resi 3    and name HA# )  2.50  0.70  0.20

! residue 4    Lys , intraresidue NOEs
assi (resi 4    and name HN  ) (resi 4    and name HA  )  4.00  2.20  2.00
assi (resi 4    and name HN  ) (resi 4    and name HB# )  4.00  2.20  1.60
assi (resi 4    and name HN  ) (resi 4    and name HG# )  4.00  2.20  2.60
assi (resi 4    and name HN  ) (resi 4    and name HD# )  4.00  2.20  2.00
assi (resi 4    and name HA  ) (resi 4    and name HB# )  2.50  0.70  0.20
assi (resi 4    and name HA  ) (resi 4    and name HG# )  2.50  0.70  0.80
assi (resi 4    and name HA  ) (resi 4    and name HD# )  2.50  0.70  1.20
assi (resi 4    and name HB# ) (resi 4    and name HG# )  3.00  1.20  0.20
assi (resi 4    and name HB# ) (resi 4    and name HD# )  2.50  0.70  0.80
assi (resi 4    and name HG# ) (resi 4    and name HD# )  2.50  0.70  0.20

! residue 5    Phe , 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 )  2.50  0.70  0.20
assi (resi 5    and name HN  ) (resi 5    and name HB2 )  2.50  0.70  0.20
assi (resi 5    and name HN  ) (resi 5    and name HD# )  4.00  2.20  3.40
assi (resi 5    and name HA  ) (resi 5    and name HB# )  2.50  0.70  0.20
assi (resi 5    and name HA  ) (resi 5    and name HD# )  2.50  0.70  2.20
assi (resi 5    and name HA  ) (resi 5    and name HE# )  4.00  2.20  3.00
assi (resi 5    and name HB# ) (resi 5    and name HB# )  2.50  0.70  0.20
assi (resi 5    and name HB# ) (resi 5    and name HD# )  2.50  0.70  0.20
assi (resi 5    and name HB# ) (resi 5    and name HE# )  4.00  2.20  1.00

! residue 6    Met , intraresidue NOEs
assi (resi 6    and name HN  ) (resi 6    and name HA  )  2.50  0.70  0.20
assi (resi 6    and name HN  ) (resi 6    and name HE# )  4.00  2.20  3.00
assi (resi 6    and name HN  ) (resi 6    and name HB# )  4.00  2.20  1.60
assi (resi 6    and name HN  ) (resi 6    and name HG# )  4.00  2.20  1.60
assi (resi 6    and name HA  ) (resi 6    and name HB# )  2.50  0.70  0.20
assi (resi 6    and name HA  ) (resi 6    and name HG# )  3.00  1.20  1.10
assi (resi 6    and name HE# ) (resi 6    and name HB# )  4.00  2.20  2.00
assi (resi 6    and name HE# ) (resi 6    and name HG# )  4.00  2.20  1.60
assi (resi 6    and name HB# ) (resi 6    and name HB# )  2.50  0.70  0.20
assi (resi 6    and name HB# ) (resi 6    and name HG# )  3.00  1.20  0.50

! residue 7    Trp , intraresidue NOEs
assi (resi 7    and name HN  ) (resi 7    and name HA  )  3.00  1.20  0.50
assi (resi 7    and name HN  ) (resi 7    and name HD1 )  2.50  0.70  0.20
assi (resi 7    and name HN  ) (resi 7    and name HE1 )  4.00  2.20  2.00
assi (resi 7    and name HN  ) (resi 7    and name HE3 )  4.00  2.20  2.00
assi (resi 7    and name HN  ) (resi 7    and name HB1 )  3.00  1.20  0.50
assi (resi 7    and name HN  ) (resi 7    and name HB2 )  3.00  1.20  0.50
assi (resi 7    and name HA  ) (resi 7    and name HD1 )  3.00  1.20  0.50
assi (resi 7    and name HA  ) (resi 7    and name HE1 )  4.00  2.20  2.00
assi (resi 7    and name HA  ) (resi 7    and name HE3 )  4.00  2.20  1.00
assi (resi 7    and name HA  ) (resi 7    and name HB# )  2.50  0.70  0.20
assi (resi 7    and name HD1 ) (resi 7    and name HE1 )  2.50  0.70  0.20
assi (resi 7    and name HD1 ) (resi 7    and name HE3 )  4.00  2.20  2.00
assi (resi 7    and name HD1 ) (resi 7    and name HB1 )  4.00  2.20  1.00
assi (resi 7    and name HD1 ) (resi 7    and name HB2 )  4.00  2.20  1.00
assi (resi 7    and name HE1 ) (resi 7    and name HZ2 )  2.50  0.70  0.20
assi (resi 7    and name HE1 ) (resi 7    and name HZ3 )  4.00  2.20  2.00
assi (resi 7    and name HE1 ) (resi 7    and name HH2 )  4.00  2.20  1.00
assi (resi 7    and name HE1 ) (resi 7    and name HB# )  4.00  2.20  3.00
assi (resi 7    and name HE3 ) (resi 7    and name HZ2 )  4.00  2.20  2.00
assi (resi 7    and name HE3 ) (resi 7    and name HZ3 )  2.50  0.70  0.20
assi (resi 7    and name HE3 ) (resi 7    and name HH2 )  3.00  1.20  1.50
assi (resi 7    and name HE3 ) (resi 7    and name HB1 )  3.00  1.20  0.50
assi (resi 7    and name HE3 ) (resi 7    and name HB2 )  3.00  1.20  0.50
assi (resi 7    and name HZ2 ) (resi 7    and name HZ3 )  4.00  2.20  1.00
assi (resi 7    and name HZ2 ) (resi 7    and name HH2 )  2.50  0.70  0.20
assi (resi 7    and name HZ3 ) (resi 7    and name HB1 )  4.00  2.20  2.00
assi (resi 7    and name HZ3 ) (resi 7    and name HB2 )  4.00  2.20  2.00

! residue 8    Lys , intraresidue NOEs
assi (resi 8    and name HN  ) (resi 8    and name HA  )  3.00  1.20  0.50
assi (resi 8    and name HN  ) (resi 8    and name HB# )  2.50  0.70  0.80
assi (resi 8    and name HA  ) (resi 8    and name HB# )  2.50  0.70  0.20

! residue 9    Cys , intraresidue NOEs
assi (resi 9    and name HN  ) (resi 9    and name HA  )  3.00  1.20  0.50
assi (resi 9    and name HN  ) (resi 9    and name HB# )  2.50  0.70  0.80
assi (resi 9    and name HA  ) (resi 9    and name HB# )  2.50  0.70  0.20

! residue 10   Lys , intraresidue NOEs
assi (resi 10   and name HN  ) (resi 10   and name HA  )  3.00  1.20  0.50
assi (resi 10   and name HN  ) (resi 10   and name HB# )  2.50  0.70  0.80
assi (resi 10   and name HN  ) (resi 10   and name HG# )  4.00  2.20  2.00
assi (resi 10   and name HN  ) (resi 10   and name HD# )  4.00  2.20  3.00
assi (resi 10   and name HN  ) (resi 10   and name HE# )  4.00  2.20  2.00
assi (resi 10   and name HA  ) (resi 10   and name HB# )  2.50  0.70  0.20
assi (resi 10   and name HA  ) (resi 10   and name HG# )  3.00  1.20  1.10
assi (resi 10   and name HA  ) (resi 10   and name HD# )  4.00  2.20  2.00
assi (resi 10   and name HA  ) (resi 10   and name HE# )  4.00  2.20  3.00
assi (resi 10   and name HB# ) (resi 10   and name HG# )  2.50  0.70  0.20
assi (resi 10   and name HB# ) (resi 10   and name HE# )  4.00  2.20  2.00
assi (resi 10   and name HG# ) (resi 10   and name HD# )  2.50  0.70  0.20
assi (resi 10   and name HG# ) (resi 10   and name HE# )  4.00  2.20  1.60
assi (resi 10   and name HD# ) (resi 10   and name HE# )  3.00  1.20  0.50

! residue 11   Asn , intraresidue NOEs
assi (resi 11   and name HN  ) (resi 11   and name HA  )  3.00  1.20  0.50
assi (resi 11   and name HN  ) (resi 11   and name HB# )  3.00  1.20  1.10
assi (resi 11   and name HN  ) (resi 11   and name HD2#)  4.00  2.20  2.00
assi (resi 11   and name HA  ) (resi 11   and name HB# )  3.00  1.20  0.50
assi (resi 11   and name HB# ) (resi 11   and name HD2#)  2.50  0.70  0.80

! residue 12   Ser , intraresidue NOEs
assi (resi 12   and name HN  ) (resi 12   and name HA  )  2.50  0.70  0.20
assi (resi 12   and name HN  ) (resi 12   and name HB# )  2.50  0.70  0.80
assi (resi 12   and name HA  ) (resi 12   and name HB# )  2.50  0.70  0.20

! residue 13   Asn , intraresidue NOEs
assi (resi 13   and name HN  ) (resi 13   and name HA  )  3.00  1.20  0.50
assi (resi 13   and name HN  ) (resi 13   and name HB# )  2.50  0.70  0.80
assi (resi 13   and name HN  ) (resi 13   and name HD2#)  4.00  2.20  3.00
assi (resi 13   and name HA  ) (resi 13   and name HB# )  2.50  0.70  0.20
assi (resi 13   and name HB# ) (resi 13   and name HD2#)  4.00  2.00  1.60

! residue 14   Asp , intraresidue NOEs
assi (resi 14   and name HN  ) (resi 14   and name HA  )  3.00  1.20  0.50
assi (resi 14   and name HN  ) (resi 14   and name HB# )  2.50  0.70  0.80
assi (resi 14   and name HA  ) (resi 14   and name HB# )  3.00  1.20  0.50

! residue 15   Cys , intraresidue NOEs
assi (resi 15   and name HN  ) (resi 15   and name HA  )  3.00  1.20  0.50
assi (resi 15   and name HN  ) (resi 15   and name HB1 )  3.00  1.20  0.50
assi (resi 15   and name HN  ) (resi 15   and name HB2 )  2.50  0.70  0.20
assi (resi 15   and name HA  ) (resi 15   and name HB# )  2.50  0.70  0.20
assi (resi 15   and name HB# ) (resi 15   and name HB# )  2.50  0.70  0.20

! residue 16   Cys , intraresidue NOEs
assi (resi 16   and name HN  ) (resi 16   and name HA  )  3.00  1.20  0.50
assi (resi 16   and name HN  ) (resi 16   and name HB1 )  3.00  1.20  0.50
assi (resi 16   and name HN  ) (resi 16   and name HB2 )  2.50  0.70  0.20
assi (resi 16   and name HA  ) (resi 16   and name HB1 )  2.50  0.70  0.20
assi (resi 16   and name HA  ) (resi 16   and name HB2 )  4.00  2.20  1.00
assi (resi 16   and name HB# ) (resi 16   and name HB# )  2.50  0.70  0.20

! residue 17   Lys , intraresidue NOEs
assi (resi 17   and name HN  ) (resi 17   and name HA  )  2.50  0.70  0.20
assi (resi 17   and name HN  ) (resi 17   and name HB1 )  2.50  0.70  0.20
assi (resi 17   and name HN  ) (resi 17   and name HB2 )  2.50  0.70  0.20
assi (resi 17   and name HN  ) (resi 17   and name HG# )  3.00  1.20  1.50
assi (resi 17   and name HA  ) (resi 17   and name HB1 )  3.00  1.20  0.50
assi (resi 17   and name HA  ) (resi 17   and name HB2 )  3.00  1.20  0.50
assi (resi 17   and name HA  ) (resi 17   and name HG# )  3.00  1.20  1.10

! residue 18   Asp , intraresidue NOEs
assi (resi 18   and name HN  ) (resi 18   and name HA  )  2.50  0.70  0.20
assi (resi 18   and name HN  ) (resi 18   and name HB2 )  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 HA  ) (resi 18   and name HB2 )  3.00  1.20  0.50
assi (resi 18   and name HA  ) (resi 18   and name HB1 )  2.50  0.70  0.20
assi (resi 18   and name HB# ) (resi 18   and name HB# )  3.00  1.20  0.50

! residue 19   Leu , intraresidue NOEs
assi (resi 19   and name HN  ) (resi 19   and name HA  )  3.00  1.20  0.50
assi (resi 19   and name HN  ) (resi 19   and name HG  )  4.00  2.20  1.00
assi (resi 19   and name HN  ) (resi 19   and name HB# )  2.50  0.70  0.80
assi (resi 19   and name HN  ) (resi 19   and name HD# )  3.00  1.20  2.90
assi (resi 19   and name HA  ) (resi 19   and name HG  )  3.00  1.20  0.50
assi (resi 19   and name HA  ) (resi 19   and name HB# )  2.50  0.70  0.20
assi (resi 19   and name HA  ) (resi 19   and name HD# )  2.50  0.70  2.60
assi (resi 19   and name HG  ) (resi 19   and name HB# )  2.50  0.70  0.20
assi (resi 19   and name HG  ) (resi 19   and name HD# )  2.50  0.70  0.20
assi (resi 19   and name HB# ) (resi 19   and name HD# )  3.00  1.20  1.10

! residue 20   Val , intraresidue NOEs
assi (resi 20   and name HN  ) (resi 20   and name HA  )  3.00  1.20  0.50
assi (resi 20   and name HN  ) (resi 20   and name HB  )  4.00  2.20  1.00
assi (resi 20   and name HN  ) (resi 20   and name HG# )  2.50  0.70  1.20
assi (resi 20   and name HA  ) (resi 20   and name HB  )  2.50  0.70  0.20
assi (resi 20   and name HA  ) (resi 20   and name HG# )  2.50  0.70  0.80
assi (resi 20   and name HB  ) (resi 20   and name HG# )  2.50  0.70  0.20

! residue 21   Cys , intraresidue NOEs
assi (resi 21   and name HN  ) (resi 21   and name HA  )  3.00  1.20  0.50
assi (resi 21   and name HN  ) (resi 21   and name HB1 )  3.00  1.20  0.50
assi (resi 21   and name HN  ) (resi 21   and name HB2 )  2.50  0.70  0.20
assi (resi 21   and name HA  ) (resi 21   and name HB1 )  4.00  2.20  1.00
assi (resi 21   and name HA  ) (resi 21   and name HB2 )  2.50  0.70  0.20
assi (resi 21   and name HB# ) (resi 21   and name HB# )  2.50  0.70  0.20

! residue 22   Ser , intraresidue NOEs
assi (resi 22   and name HN  ) (resi 22   and name HA  )  3.00  1.20  0.50
assi (resi 22   and name HN  ) (resi 22   and name HB# )  2.50  0.70  0.80
assi (resi 22   and name HA  ) (resi 22   and name HB# )  2.50  0.70  0.20

! residue 23   Ser , intraresidue NOEs
assi (resi 23   and name HN  ) (resi 23   and name HA  )  2.50  0.70  0.20
assi (resi 23   and name HN  ) (resi 23   and name HB# )  2.50  0.70  0.80

! residue 24   Arg , intraresidue NOEs
assi (resi 24   and name HN  ) (resi 24   and name HA  )  3.00  1.20  0.50
assi (resi 24   and name HN  ) (resi 24   and name HB1 )  3.00  1.20  0.50
assi (resi 24   and name HN  ) (resi 24   and name HB2 )  3.00  1.20  0.50
assi (resi 24   and name HN  ) (resi 24   and name HG# )  4.00  2.20  2.00
assi (resi 24   and name HN  ) (resi 24   and name HD# )  4.00  2.20  3.00
assi (resi 24   and name HA  ) (resi 24   and name HE  )  4.00  2.20  2.00
assi (resi 24   and name HA  ) (resi 24   and name HB1 )  3.00  1.20  0.50
assi (resi 24   and name HA  ) (resi 24   and name HB2 )  4.00  2.20  1.00
assi (resi 24   and name HA  ) (resi 24   and name HG# )  3.00  1.20  1.10
assi (resi 24   and name HA  ) (resi 24   and name HD# )  4.00  2.20  2.00
assi (resi 24   and name HE  ) (resi 24   and name HB1 )  4.00  2.20  2.00
assi (resi 24   and name HE  ) (resi 24   and name HB2 )  4.00  2.20  2.00
assi (resi 24   and name HE  ) (resi 24   and name HG# )  3.00  1.20  1.10
assi (resi 24   and name HE  ) (resi 24   and name HD# )  3.00  1.20  0.50
assi (resi 24   and name HB# ) (resi 24   and name HB# )  2.50  0.70  0.20
assi (resi 24   and name HB# ) (resi 24   and name HG# )  3.00  1.20  0.50
assi (resi 24   and name HB# ) (resi 24   and name HD# )  4.00  2.20  1.60
assi (resi 24   and name HG# ) (resi 24   and name HG# )  2.50  0.70  0.20
assi (resi 24   and name HG# ) (resi 24   and name HD# )  3.00  1.20  0.50
assi (resi 24   and name HD# ) (resi 24   and name HD# )  2.50  0.70  0.20
assi (resi 24   and name HD# ) (resi 24   and name HH# )  4.00  2.20  2.00

! residue 25   Trp , intraresidue NOEs
assi (resi 25   and name HN  ) (resi 25   and name HA  )  3.00  1.20  0.50
assi (resi 25   and name HN  ) (resi 25   and name HB# )  3.00  1.20  1.10
assi (resi 25   and name HA  ) (resi 25   and name HD1 )  4.00  2.20  1.00
assi (resi 25   and name HA  ) (resi 25   and name HE1 )  4.00  2.20  2.00
assi (resi 25   and name HA  ) (resi 25   and name HE3 )  4.00  2.20  1.00
assi (resi 25   and name HA  ) (resi 25   and name HB2 )  3.00  1.20  0.50
assi (resi 25   and name HA  ) (resi 25   and name HB1 )  2.50  0.70  0.20
assi (resi 25   and name HD1 ) (resi 25   and name HE1 )  2.50  0.70  0.20
assi (resi 25   and name HD1 ) (resi 25   and name HZ2 )  4.00  2.20  1.00
assi (resi 25   and name HD1 ) (resi 25   and name HB# )  4.00  2.20  1.60
assi (resi 25   and name HE1 ) (resi 25   and name HZ2 )  2.50  0.70  0.20
assi (resi 25   and name HE1 ) (resi 25   and name HH2 )  4.00  2.20  1.00
assi (resi 25   and name HE1 ) (resi 25   and name HB# )  4.00  2.20  3.00
assi (resi 25   and name HE3 ) (resi 25   and name HZ3 )  2.50  0.70  0.20
assi (resi 25   and name HE3 ) (resi 25   and name HB# )  3.00  1.20  1.10
assi (resi 25   and name HZ2 ) (resi 25   and name HZ3 )  4.00  2.20  1.00
assi (resi 25   and name HZ2 ) (resi 25   and name HH2 )  2.50  0.70  0.20
assi (resi 25   and name HZ3 ) (resi 25   and name HH2 )  2.50  0.70  0.20
assi (resi 25   and name HB# ) (resi 25   and name HB# )  2.50  0.70  0.20

! residue 26   Lys , intraresidue NOEs
assi (resi 26   and name HN  ) (resi 26   and name HA  )  3.00  1.20  0.50
assi (resi 26   and name HN  ) (resi 26   and name HB# )  3.00  1.20  1.10
assi (resi 26   and name HN  ) (resi 26   and name HG# )  3.00  1.20  1.50
assi (resi 26   and name HN  ) (resi 26   and name HD# )  4.00  2.20  2.00
assi (resi 26   and name HA  ) (resi 26   and name HB# )  2.50  0.70  0.20
assi (resi 26   and name HA  ) (resi 26   and name HG# )  3.00  1.20  1.10
assi (resi 26   and name HA  ) (resi 26   and name HD# )  4.00  2.20  2.00
assi (resi 26   and name HB# ) (resi 26   and name HB# )  2.50  0.70  0.20
assi (resi 26   and name HB# ) (resi 26   and name HG# )  2.50  0.70  0.20
assi (resi 26   and name HB# ) (resi 26   and name HD# )  4.00  2.20  1.60

! residue 27   Trp , 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 HB# )  4.00  2.20  1.60
assi (resi 27   and name HA  ) (resi 27   and name HD1 )  4.00  2.20  1.00
assi (resi 27   and name HA  ) (resi 27   and name HE3 )  4.00  2.20  1.00
assi (resi 27   and name HA  ) (resi 27   and name HB# )  2.50  0.70  0.20
assi (resi 27   and name HD1 ) (resi 27   and name HE1 )  2.50  0.70  0.20
assi (resi 27   and name HD1 ) (resi 27   and name HB# )  4.00  2.20  1.60
assi (resi 27   and name HE1 ) (resi 27   and name HZ2 )  2.50  0.70  0.20
assi (resi 27   and name HE1 ) (resi 27   and name HH2 )  4.00  2.20  1.00
assi (resi 27   and name HE1 ) (resi 27   and name HB# )  4.00  2.20  3.00
assi (resi 27   and name HE3 ) (resi 27   and name HZ2 )  4.00  2.20  2.00
assi (resi 27   and name HE3 ) (resi 27   and name HZ3 )  2.50  0.70  0.20
assi (resi 27   and name HE3 ) (resi 27   and name HH2 )  4.00  2.20  1.00
assi (resi 27   and name HE3 ) (resi 27   and name HB# )  2.50  0.70  0.80
assi (resi 27   and name HZ2 ) (resi 27   and name HZ3 )  4.00  2.20  1.00
assi (resi 27   and name HZ2 ) (resi 27   and name HH2 )  2.50  0.70  0.20
assi (resi 27   and name HZ3 ) (resi 27   and name HH2 )  2.50  0.70  0.20
assi (resi 27   and name HZ3 ) (resi 27   and name HB# )  4.00  2.20  3.00
assi (resi 27   and name HB# ) (resi 27   and name HB# )  2.50  0.70  0.20

! residue 28   Cys , intraresidue NOEs
assi (resi 28   and name HN  ) (resi 28   and name HA  )  3.00  1.20  0.50
assi (resi 28   and name HN  ) (resi 28   and name HB1 )  3.00  1.20  0.50
assi (resi 28   and name HN  ) (resi 28   and name HB2 )  2.50  0.70  0.20
assi (resi 28   and name HA  ) (resi 28   and name HB2 )  3.00  1.20  0.50
assi (resi 28   and name HA  ) (resi 28   and name HB1 )  2.50  0.70  0.20
assi (resi 28   and name HB# ) (resi 28   and name HB# )  2.50  0.70  0.20

! residue 29   Val , intraresidue NOEs
assi (resi 29   and name HN  ) (resi 29   and name HA  )  3.00  1.20  0.50
assi (resi 29   and name HN  ) (resi 29   and name HB  )  4.00  2.20  1.00
assi (resi 29   and name HN  ) (resi 29   and name HG# )  3.00  1.20  1.50
assi (resi 29   and name HA  ) (resi 29   and name HB  )  2.50  0.70  0.20
assi (resi 29   and name HA  ) (resi 29   and name HG# )  4.00  2.20  1.60
assi (resi 29   and name HB  ) (resi 29   and name HG# )  2.50  0.70  0.20
assi (resi 29   and name HG# ) (resi 29   and name HG# )  2.50  0.70  0.20

! residue 30   Leu , intraresidue NOEs
assi (resi 30   and name HN  ) (resi 30   and name HA  )  3.00  1.20  0.50
assi (resi 30   and name HN  ) (resi 30   and name HG  )  4.00  2.20  1.00
assi (resi 30   and name HN  ) (resi 30   and name HB# )  2.50  0.70  0.80
assi (resi 30   and name HA  ) (resi 30   and name HG  )  3.00  1.20  0.50
assi (resi 30   and name HA  ) (resi 30   and name HB# )  2.50  0.70  0.20
assi (resi 30   and name HG  ) (resi 30   and name HB# )  2.50  0.70  0.80

! residue 31   Ala , intraresidue NOEs
assi (resi 31   and name HN  ) (resi 31   and name HA  )  3.00  1.20  0.50
assi (resi 31   and name HN  ) (resi 31   and name HB# )  2.50  0.70  0.80
assi (resi 31   and name HA  ) (resi 31   and name HB# )  2.50  0.70  0.20

! residue 32   Ser , intraresidue NOEs
assi (resi 32   and name HN  ) (resi 32   and name HA  )  3.00  1.20  0.50
assi (resi 32   and name HN  ) (resi 32   and name HB# )  2.50  0.70  0.80
assi (resi 32   and name HA  ) (resi 32   and name HB# )  3.00  1.20  0.50

! residue 33   Pro , intraresidue NOEs
assi (resi 33   and name HA  ) (resi 33   and name HB# )  2.50  0.70  0.20
assi (resi 33   and name HA  ) (resi 33   and name HG# )  4.00  2.20  1.60
assi (resi 33   and name HB# ) (resi 33   and name HD# )  4.00  2.20  1.60
assi (resi 33   and name HG# ) (resi 33   and name HD# )  3.00  1.20  0.50

! residue 34   Phe , intraresidue NOEs
assi (resi 34   and name HN  ) (resi 34   and name HA  )  3.00  1.20  0.50
assi (resi 34   and name HN  ) (resi 34   and name HB# )  4.00  2.20  1.60
assi (resi 34   and name HA  ) (resi 34   and name HB# )  2.50  0.70  0.20
assi (resi 34   and name HA  ) (resi 34   and name HD# )  4.00  2.20  2.00
assi (resi 34   and name HB# ) (resi 34   and name HD# )  4.00  2.20  1.60


! residue 1    Glu , NOEs forward in sequence
assi (resi 1    and name HA  ) (resi 2    and name HN  )  2.50  0.70  0.20
assi (resi 1    and name HB# ) (resi 2    and name HN  )  2.50  0.70  0.20
assi (resi 1    and name HG# ) (resi 2    and name HN  )  4.00  2.20  2.00
assi (resi 1    and name HB# ) (resi 7    and name HZ3 )  4.00  2.20  2.00
assi (resi 1    and name HB# ) (resi 7    and name HH2 )  4.00  2.20  3.00
assi (resi 1    and name HG# ) (resi 7    and name HZ3 )  4.00  2.20  2.00
assi (resi 1    and name HG# ) (resi 7    and name HH2 )  4.00  2.20  3.00

! residue 2    Cys , NOEs forward in sequence
assi (resi 2    and name HN  ) (resi 3    and name HN  )  4.00  2.20  2.00
assi (resi 2    and name HA  ) (resi 3    and name HN  )  2.50  0.70  0.20
assi (resi 2    and name HB# ) (resi 3    and name HN  )  3.00  1.20  1.50
assi (resi 2    and name HN  ) (resi 16   and name HA  )  4.00  2.20  1.00
assi (resi 2    and name HA  ) (resi 16   and name HN  )  4.00  2.20  1.00
assi (resi 2    and name HB# ) (resi 16   and name HN  )  4.00  2.20  2.00
assi (resi 2    and name HB# ) (resi 17   and name HN  )  4.00  2.20  2.00

! residue 3    Gly , 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  2.00
assi (resi 3    and name HN  ) (resi 15   and name HA  )  3.00  1.20  0.50
assi (resi 3    and name HN  ) (resi 16   and name HN  )  3.00  1.20  0.50
assi (resi 3    and name HN  ) (resi 16   and name HB2 )  4.00  2.20  2.00
assi (resi 3    and name HA# ) (resi 16   and name HN  )  4.00  2.20  2.00
assi (resi 3    and name HN  ) (resi 7    and name HE3 )  4.00  2.20  2.00

! residue 4    Lys , NOEs forward in sequence
assi (resi 4    and name HN  ) (resi 5    and name HN  )  4.00  2.20  2.00
assi (resi 4    and name HA  ) (resi 5    and name HN  )  2.50  0.70  0.20
assi (resi 4    and name HA  ) (resi 5    and name HB# )  4.00  2.20  3.00
assi (resi 4    and name HB# ) (resi 5    and name HN  )  3.00  1.20  1.50
assi (resi 4    and name HD# ) (resi 5    and name HN  )  2.50  0.70  1.20
assi (resi 4    and name HN  ) (resi 7    and name HN  )  4.00  2.20  2.00
assi (resi 4    and name HN  ) (resi 7    and name HD1 )  4.00  2.20  1.00
assi (resi 4    and name HN  ) (resi 7    and name HE1 )  4.00  2.20  2.00
assi (resi 4    and name HN  ) (resi 7    and name HE3 )  4.00  2.20  1.00
assi (resi 4    and name HN  ) (resi 7    and name HZ3 )  4.00  2.20  2.00
assi (resi 4    and name HN  ) (resi 7    and name HB# )  3.00  1.20  1.50
assi (resi 4    and name HA  ) (resi 7    and name HD1 )  4.00  2.20  2.00
assi (resi 4    and name HA  ) (resi 7    and name HE1 )  4.00  2.20  2.00
assi (resi 4    and name HB# ) (resi 7    and name HN  )  4.00  2.20  3.00
assi (resi 4    and name HB# ) (resi 7    and name HD1 )  3.00  1.20  1.50
assi (resi 4    and name HB# ) (resi 7    and name HE1 )  3.00  1.20  1.50
assi (resi 4    and name HB# ) (resi 7    and name HE3 )  4.00  2.20  3.00
assi (resi 4    and name HB# ) (resi 7    and name HZ2 )  4.00  2.20  2.00
assi (resi 4    and name HG# ) (resi 7    and name HZ2 )  4.00  2.20  3.00
assi (resi 4    and name HD# ) (resi 7    and name HN  )  4.00  2.20  3.00
assi (resi 4    and name HD# ) (resi 7    and name HD1 )  4.00  2.20  2.00
assi (resi 4    and name HD# ) (resi 7    and name HE1 )  4.00  2.20  2.00
assi (resi 4    and name HD# ) (resi 7    and name HZ2 )  4.00  2.20  3.00
assi (resi 4    and name HE# ) (resi 7    and name HD1 )  4.00  2.20  3.00
assi (resi 4    and name HA  ) (resi 16   and name HN  )  4.00  2.20  2.00
assi (resi 4    and name HA  ) (resi 16   and name HB1 )  4.00  2.20  2.00
assi (resi 4    and name HA  ) (resi 16   and name HB2 )  4.00  2.20  2.00

! residue 5    Phe , NOEs forward in sequence
assi (resi 5    and name HD# ) (resi 6    and name HB# )  4.00  2.20  4.40
assi (resi 5    and name HN  ) (resi 6    and name HN  )  4.00  2.20  1.00
assi (resi 5    and name HA  ) (resi 6    and name HN  )  2.50  0.70  0.20
assi (resi 5    and name HA  ) (resi 6    and name HA  )  4.00  2.20  1.00
assi (resi 5    and name HZ  ) (resi 6    and name HE# )  4.00  2.20  2.00
assi (resi 5    and name HZ  ) (resi 6    and name HG# )  4.00  2.20  2.00
assi (resi 5    and name HB1 ) (resi 6    and name HN  )  4.00  2.20  2.00
assi (resi 5    and name HB2 ) (resi 6    and name HN  )  4.00  2.20  1.00
assi (resi 5    and name HD# ) (resi 6    and name HN  )  2.50  0.70  2.60
assi (resi 5    and name HD# ) (resi 6    and name HA  )  4.00  2.20  3.40
assi (resi 5    and name HD# ) (resi 6    and name HE# )  4.00  2.20  3.40
assi (resi 5    and name HD# ) (resi 6    and name HG# )  3.00  1.20  2.90
assi (resi 5    and name HE# ) (resi 6    and name HN  )  4.00  2.20  4.40
assi (resi 5    and name HE# ) (resi 6    and name HE# )  3.00  1.20  2.90
assi (resi 5    and name HE# ) (resi 6    and name HG# )  3.00  1.20  2.90
assi (resi 5    and name HN  ) (resi 7    and name HN  )  4.00  2.20  2.00
assi (resi 5    and name HA  ) (resi 7    and name HN  )  4.00  2.20  1.00
assi (resi 5    and name HA  ) (resi 7    and name HD1 )  4.00  2.20  2.00
assi (resi 5    and name HD# ) (resi 7    and name HN  )  4.00  2.20  4.40
assi (resi 5    and name HN  ) (resi 19   and name HD# )  3.00  1.20  2.90
assi (resi 5    and name HA  ) (resi 19   and name HD# )  2.50  0.70  2.60
assi (resi 5    and name HZ  ) (resi 19   and name HD# )  4.00  2.20  4.40
assi (resi 5    and name HB# ) (resi 19   and name HD# )  4.00  2.20  3.40
assi (resi 5    and name HD# ) (resi 19   and name HD# )  2.50  0.70  2.60
assi (resi 5    and name HE# ) (resi 19   and name HD# )  4.00  2.20  3.40
assi (resi 5    and name HZ  ) (resi 26   and name HD# )  4.00  2.20  3.00
assi (resi 5    and name HD# ) (resi 26   and name HD# )  4.00  2.20  4.40
assi (resi 5    and name HE# ) (resi 26   and name HD# )  4.00  2.20  3.40
assi (resi 5    and name HA  ) (resi 27   and name HD1 )  4.00  2.20  2.00
assi (resi 5    and name HE# ) (resi 27   and name HE1 )  4.00  2.20  4.40
assi (resi 5    and name HA  ) (resi 28   and name HN  )  4.00  2.20  1.00
assi (resi 5    and name HA  ) (resi 28   and name HB2 )  4.00  2.20  2.00
assi (resi 5    and name HZ  ) (resi 29   and name HA  )  4.00  2.20  1.00
assi (resi 5    and name HZ  ) (resi 29   and name HB  )  4.00  2.20  2.00
assi (resi 5    and name HZ  ) (resi 29   and name HG# )  4.00  2.20  3.40
assi (resi 5    and name HD# ) (resi 29   and name HA  )  2.50  0.70  2.60
assi (resi 5    and name HD# ) (resi 29   and name HB  )  4.00  2.20  3.40
assi (resi 5    and name HD# ) (resi 29   and name HG# )  4.00  2.20  3.40
assi (resi 5    and name HE# ) (resi 29   and name HA  )  2.50  0.70  2.60
assi (resi 5    and name HE# ) (resi 29   and name HB  )  4.00  2.20  3.40
assi (resi 5    and name HE# ) (resi 29   and name HG# )  3.00  1.20  2.90
assi (resi 5    and name HZ  ) (resi 30   and name HG  )  4.00  2.20  1.00
assi (resi 5    and name HD# ) (resi 30   and name HN  )  4.00  2.20  3.40
assi (resi 5    and name HD# ) (resi 30   and name HG  )  3.00  1.20  2.90
assi (resi 5    and name HE# ) (resi 30   and name HN  )  3.00  1.20  2.90
assi (resi 5    and name HE# ) (resi 30   and name HG  )  3.00  1.20  2.90
assi (resi 5    and name HD# ) (resi 6    and name HB# )  4.00  2.20  4.40
assi (resi 5    and name HN  ) (resi 19   and name HG  )  4.00  2.20  2.00

! residue 6    Met , NOEs forward in sequence
assi (resi 6    and name HN  ) (resi 7    and name HN  )  2.50  0.70  0.20
assi (resi 6    and name HN  ) (resi 7    and name HD1 )  4.00  2.20  2.00
assi (resi 6    and name HN  ) (resi 7    and name HB1 )  4.00  2.20  2.00
assi (resi 6    and name HN  ) (resi 7    and name HB2 )  4.00  2.20  2.00
assi (resi 6    and name HA  ) (resi 7    and name HN  )  3.00  1.20  0.50
assi (resi 6    and name HA  ) (resi 7    and name HD1 )  4.00  2.20  2.00
assi (resi 6    and name HB# ) (resi 7    and name HN  )  4.00  2.20  2.00
assi (resi 6    and name HB# ) (resi 7    and name HD1 )  4.00  2.20  2.00
assi (resi 6    and name HG# ) (resi 7    and name HN  )  4.00  2.20  3.00
assi (resi 6    and name HN  ) (resi 19   and name HD# )  4.00  2.20  3.40
assi (resi 6    and name HN  ) (resi 27   and name HA  )  4.00  2.20  2.00
assi (resi 6    and name HN  ) (resi 27   and name HD1 )  4.00  2.20  1.00
assi (resi 6    and name HN  ) (resi 27   and name HB# )  4.00  2.20  2.00
assi (resi 6    and name HA  ) (resi 27   and name HA  )  4.00  2.20  2.00
assi (resi 6    and name HA  ) (resi 27   and name HD1 )  3.00  1.20  0.50
assi (resi 6    and name HA  ) (resi 27   and name HE1 )  4.00  2.20  1.00
assi (resi 6    and name HA  ) (resi 27   and name HE3 )  4.00  2.20  1.00
assi (resi 6    and name HA  ) (resi 27   and name HB# )  2.50  0.70  1.20
assi (resi 6    and name HE# ) (resi 27   and name HD1 )  4.00  2.20  3.00
assi (resi 6    and name HE# ) (resi 27   and name HE3 )  4.00  2.20  2.00
assi (resi 6    and name HE# ) (resi 27   and name HZ3 )  4.00  2.20  2.00
assi (resi 6    and name HG# ) (resi 27   and name HD1 )  4.00  2.20  2.00
assi (resi 6    and name HG# ) (resi 27   and name HE1 )  4.00  2.20  2.00
assi (resi 6    and name HG# ) (resi 27   and name HE3 )  4.00  2.20  3.00
assi (resi 6    and name HN  ) (resi 28   and name HA  )  4.00  2.20  2.00
assi (resi 6    and name HN  ) (resi 28   and name HB2 )  4.00  2.20  1.00
assi (resi 6    and name HN  ) (resi 28   and name HB1 )  4.00  2.20  1.00
assi (resi 6    and name HA  ) (resi 28   and name HN  )  4.00  2.20  1.00
assi (resi 6    and name HG# ) (resi 28   and name HN  )  4.00  2.20  3.00
assi (resi 6    and name HN  ) (resi 29   and name HA  )  4.00  2.20  1.00
assi (resi 6    and name HN  ) (resi 29   and name HG# )  4.00  2.20  3.40
assi (resi 6    and name HE# ) (resi 27   and name HE1 )  4.00  2.20  2.00
assi (resi 6    and name HE# ) (resi 27   and name HZ2 )  4.00  2.20  3.00
assi (resi 6    and name HG# ) (resi 27   and name HZ2 )  4.00  2.20  2.00

! 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 HD1 ) (resi 8    and name HN  )  4.00  2.20  2.00
assi (resi 7    and name HE3 ) (resi 8    and name HN  )  4.00  2.20  2.00
assi (resi 7    and name HB1 ) (resi 8    and name HN  )  3.00  1.20  0.50
assi (resi 7    and name HB2 ) (resi 8    and name HN  )  4.00  2.20  1.00
assi (resi 7    and name HN  ) (resi 19   and name HD# )  4.00  2.20  4.40
assi (resi 7    and name HD1 ) (resi 19   and name HD# )  4.00  2.20  4.40
assi (resi 7    and name HB# ) (resi  3   and name HA  )  3.00  1.20  1.50
assi (resi 7    and name HN  ) (resi 27   and name HA  )  4.00  2.20  2.00
assi (resi 7    and name HN  ) (resi 27   and name HB# )  4.00  2.20  2.00
assi (resi 7    and name HN  ) (resi 28   and name HN  )  3.00  1.20  0.50
assi (resi 7    and name HN  ) (resi 28   and name HA  )  4.00  2.20  2.00
assi (resi 7    and name HN  ) (resi 28   and name HB2 )  3.00  1.20  0.50
assi (resi 7    and name HN  ) (resi 28   and name HB1 )  4.00  2.20  1.00
assi (resi 7    and name HB# ) (resi 28   and name HN  )  4.00  2.20  2.00

! residue 8    Lys , NOEs forward in sequence
assi (resi 8    and name HA  ) (resi 9    and name HN  )  2.50  0.70  0.20
assi (resi 8    and name HB# ) (resi 9    and name HN  )  3.00  1.20  1.50
assi (resi 8    and name HN  ) (resi 27   and name HA  )  4.00  2.20  1.00
assi (resi 8    and name HA  ) (resi 27   and name HB# )  3.00  1.20  1.50
assi (resi 8    and name HB# ) (resi 27   and name HA  )  4.00  2.20  3.00
assi (resi 8    and name HA  ) (resi 28   and name HN  )  4.00  2.20  1.00

! residue 9    Cys , NOEs forward in sequence
assi (resi 9    and name HA  ) (resi 10   and name HN  )  2.50  0.70  0.20
assi (resi 9    and name HA  ) (resi 10   and name HB# )  4.00  2.20  2.00
assi (resi 9    and name HB# ) (resi 10   and name HN  )  2.50  0.70  1.20
assi (resi 9    and name HB# ) (resi 10   and name HA  )  4.00  2.20  3.00
assi (resi 9    and name HB# ) (resi 10   and name HB# )  4.00  2.20  3.00
assi (resi 9    and name HA  ) (resi 11   and name HN  )  4.00  2.20  1.00
assi (resi 9    and name HB# ) (resi 11   and name HN  )  2.50  0.70  1.20
assi (resi 9    and name HB# ) (resi 12   and name HN  )  4.00  2.20  3.00
assi (resi 9    and name HB# ) (resi 12   and name HA  )  4.00  2.20  2.00
assi (resi 9    and name HA  ) (resi 14   and name HN  )  4.00  2.20  2.00
assi (resi 9    and name HA  ) (resi 14   and name HB# )  3.00  1.20  1.50
assi (resi 9    and name HB# ) (resi 14   and name HN  )  3.00  1.20  1.50
assi (resi 9    and name HB# ) (resi 14   and name HA  )  4.00  2.20  2.00
assi (resi 9    and name HB# ) (resi 14   and name HB# )  3.00  1.20  1.50
assi (resi 9    and name HA  ) (resi 21   and name HB2 )  4.00  2.20  2.00
assi (resi 9    and name HB# ) (resi 21   and name HA  )  4.00  2.20  2.00
assi (resi 9    and name HB# ) (resi 21   and name HB1 )  3.00  1.20  1.50
assi (resi 9    and name HB# ) (resi 21   and name HB2 )  3.00  1.20  1.50
assi (resi 9    and name HB# ) (resi 22   and name HN  )  4.00  2.20  3.00
assi (resi 9    and name HN  ) (resi 27   and name HN  )  4.00  2.20  2.00
assi (resi 9    and name HN  ) (resi 27   and name HA  )  3.00  1.20  0.50
assi (resi 9    and name HN  ) (resi 27   and name HB# )  4.00  2.20  2.00
assi (resi 9    and name HB# ) (resi 27   and name HA  )  4.00  2.20  2.00
assi (resi 9    and name HN  ) (resi 28   and name HN  )  4.00  2.20  1.00
assi (resi 9    and name HB# ) (resi 28   and name HN  )  4.00  2.20  2.00
assi (resi 9    and name HB# ) (resi 28   and name HA  )  4.00  2.20  3.00

! residue 10   Lys , NOEs forward in sequence
assi (resi 10   and name HN  ) (resi 11   and name HN  )  2.50  0.70  0.20
assi (resi 10   and name HA  ) (resi 11   and name HN  )  3.00  1.20  0.50
assi (resi 10   and name HB# ) (resi 11   and name HN  )  2.50  0.70  1.20
assi (resi 10   and name HG# ) (resi 11   and name HN  )  4.00  2.20  3.00
assi (resi 10   and name HB# ) (resi 12   and name HN  )  4.00  2.20  3.00
assi (resi 10   and name HN  ) (resi 14   and name HN  )  4.00  2.20  1.00
assi (resi 10   and name HN  ) (resi 14   and name HB# )  3.00  1.20  1.50
assi (resi 10   and name HG# ) (resi 12   and name HB# )  4.00  2.20  2.00

! residue 11   Asn , NOEs forward in sequence
assi (resi 11   and name HN  ) (resi 12   and name HN  )  4.00  2.20  1.00
assi (resi 11   and name HA  ) (resi 12   and name HN  )  3.00  1.20  0.50
assi (resi 11   and name HB# ) (resi 12   and name HN  )  2.50  0.70  1.20
assi (resi 11   and name HD2#) (resi 12   and name HN  )  4.00  2.20  3.00
assi (resi 11   and name HN  ) (resi 13   and name HN  )  4.00  2.20  2.00
assi (resi 11   and name HB# ) (resi 13   and name HN  )  3.00  1.20  1.50
assi (resi 11   and name HN  ) (resi 14   and name HB# )  4.00  2.20  2.00
assi (resi 11   and name HN  ) (resi 14   and name HN  )  4.00  2.20  1.00
assi (resi 11   and name HN  ) (resi 21   and name HB1 )  4.00  2.20  2.00
assi (resi 11   and name HN  ) (resi 21   and name HB2 )  4.00  2.20  2.00
assi (resi 11   and name HA  ) (resi 21   and name HN  )  4.00  2.20  1.00
assi (resi 11   and name HA  ) (resi 21   and name HB1 )  4.00  2.20  1.00
assi (resi 11   and name HA  ) (resi 21   and name HB2 )  4.00  2.20  1.00

! residue 12   Ser , NOEs forward in sequence
assi (resi 12   and name HN  ) (resi 13   and name HN  )  2.00  0.70  0.20
assi (resi 12   and name HN  ) (resi 13   and name HB# )  4.00  2.20  3.00
assi (resi 12   and name HA  ) (resi 13   and name HN  )  3.00  1.20  0.50
assi (resi 12   and name HB# ) (resi 13   and name HN  )  3.00  1.20  1.50
assi (resi 12   and name HA  ) (resi 15   and name HN  )  3.00  1.20  0.50
assi (resi 12   and name HB# ) (resi 15   and name HN  )  4.00  2.20  2.00
assi (resi 12   and name HA  ) (resi 20   and name HB  )  4.00  2.20  1.00
assi (resi 12   and name HB# ) (resi 20   and name HG# )  4.00  2.20  3.40
assi (resi 12   and name HN  ) (resi 21   and name HN  )  4.00  2.20  1.00
assi (resi 12   and name HN  ) (resi 21   and name HB1 )  4.00  2.20  1.00
assi (resi 12   and name HN  ) (resi 21   and name HB2 )  4.00  2.20  1.00
assi (resi 12   and name HA  ) (resi 21   and name HN  )  2.50  0.70  0.20
assi (resi 12   and name HA  ) (resi 21   and name HB1 )  3.00  1.20  0.50
assi (resi 12   and name HA  ) (resi 21   and name HB2 )  3.00  1.20  0.50
assi (resi 12   and name HB# ) (resi 21   and name HN  )  4.00  2.20  2.00
assi (resi 12   and name HB# ) (resi 21   and name HB1 )  4.00  2.20  3.00
assi (resi 12   and name HB# ) (resi 21   and name HB2 )  4.00  2.20  3.00
assi (resi 12   and name HB# ) (resi 13   and name HN  )  4.00  2.20  2.00
assi (resi 12   and name HB# ) (resi 15   and name HN  )  4.00  2.20  2.00

! residue 13   Asn , NOEs forward in sequence
assi (resi 13   and name HN  ) (resi 14   and name HA  )  4.00  2.20  2.00
assi (resi 13   and name HN  ) (resi 14   and name HB# )  4.00  2.20  3.00
assi (resi 13   and name HA  ) (resi 14   and name HN  )  3.00  1.20  0.50
assi (resi 13   and name HB# ) (resi 14   and name HN  )  4.00  2.20  2.00
assi (resi 13   and name HN  ) (resi 14   and name HN  )  2.50  0.70  0.20
!assi (resi 13   and name HA  ) (resi 15   and name HN  )  3.00  1.20  0.50
assi (resi 13   and name HN  ) (resi 21   and name HB# )  4.00  2.20  3.00

! residue 14   Asp , NOEs forward in sequence

! residue 15   Cys , NOEs forward in sequence
assi (resi 15   and name HA  ) (resi 16   and name HN  )  2.50  0.70  0.20
assi (resi 15   and name HA  ) (resi 16   and name HB2 )  4.00  2.20  2.00
assi (resi 15   and name HB1 ) (resi 16   and name HN  )  3.00  1.20  0.50
assi (resi 15   and name HN  ) (resi 19   and name HG  )  4.00  2.20  2.00
assi (resi 15   and name HN  ) (resi 19   and name HB# )  4.00  2.20  3.00
assi (resi 15   and name HA  ) (resi 19   and name HG  )  4.00  2.20  2.00
assi (resi 15   and name HA  ) (resi 19   and name HB# )  4.00  2.20  2.00
assi (resi 15   and name HB1 ) (resi 19   and name HN  )  4.00  2.20  1.00
assi (resi 15   and name HB2 ) (resi 19   and name HN  )  4.00  2.20  1.00
assi (resi 15   and name HB1 ) (resi 19   and name HG  )  2.50  0.70  0.20
assi (resi 15   and name HB1 ) (resi 19   and name HB# )  2.50  0.70  1.20
assi (resi 15   and name HB1 ) (resi 19   and name HD# )  4.00  2.20  3.40
assi (resi 15   and name HN  ) (resi 20   and name HA  )  4.00  2.20  2.00
assi (resi 15   and name HB1 ) (resi 20   and name HN  )  4.00  2.20  2.00
assi (resi 15   and name HB2 ) (resi 20   and name HA  )  4.00  2.20  2.00
assi (resi 15   and name HN  ) (resi 21   and name HN  )  4.00  2.20  2.00
assi (resi 15   and name HN  ) (resi 21   and name HB1 )  4.00  2.20  2.00
assi (resi 15   and name HN  ) (resi 21   and name HB2 )  4.00  2.20  2.00
assi (resi 15   and name HB2 ) (resi 21   and name HN  )  4.00  2.20  2.00
assi (resi 15   and name HB1 ) (resi 28   and name HN  )  4.00  2.20  2.00
assi (resi 15   and name HB1 ) (resi 28   and name HA  )  4.00  2.20  2.00

! 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 HA  ) (resi 17   and name HA  )  4.00  2.20  2.00
assi (resi 16   and name HA  ) (resi 17   and name HB2 )  4.00  2.20  2.00
assi (resi 16   and name HA  ) (resi 17   and name HB1 )  4.00  2.20  2.00
assi (resi 16   and name HB1 ) (resi 17   and name HN  )  2.50  0.70  0.20
assi (resi 16   and name HB2 ) (resi 17   and name HN  )  4.00  2.20  1.00
assi (resi 16   and name HB1 ) (resi 17   and name HB2 )  4.00  2.20  2.00
assi (resi 16   and name HB1 ) (resi 18   and name HN  )  4.00  2.20  2.00
assi (resi 16   and name HN  ) (resi 19   and name HG  )  4.00  2.20  1.00
assi (resi 16   and name HN  ) (resi 19   and name HB# )  4.00  2.20  2.00
assi (resi 16   and name HN  ) (resi 19   and name HD# )  3.00  1.20  2.90
assi (resi 16   and name HA  ) (resi 19   and name HD# )  4.00  2.20  4.40
assi (resi 16   and name HB1 ) (resi 19   and name HG  )  4.00  2.20  2.00
assi (resi 16   and name HB2 ) (resi 19   and name HG  )  4.00  2.20  2.00
assi (resi 16   and name HB1 ) (resi 19   and name HD# )  4.00  2.20  3.40
assi (resi 16   and name HB2 ) (resi 19   and name HD# )  4.00  2.20  3.40
assi (resi 16   and name HN  ) (resi 20   and name HG# )  4.00  2.20  4.40
assi (resi 16   and name HN  ) (resi 28   and name HB1 )  3.00  1.20  0.50
assi (resi 16   and name HN  ) (resi 19   and name HN  )  4.00  2.20  2.00

! residue 17   Lys , NOEs forward in sequence
assi (resi 17   and name HN  ) (resi 18   and name HN  )  4.00  2.20  1.00
assi (resi 17   and name HA  ) (resi 18   and name HN  )  2.50  0.70  0.20
assi (resi 17   and name HA  ) (resi 18   and name HA  )  4.00  2.20  1.00
assi (resi 17   and name HB2 ) (resi 18   and name HN  )  4.00  2.20  1.00
assi (resi 17   and name HB1 ) (resi 18   and name HN  )  4.00  2.20  1.00
assi (resi 17   and name HG# ) (resi 18   and name HN  )  3.00  1.20  1.50
assi (resi 17   and name HN  ) (resi 19   and name HD# )  4.00  2.20  3.40
assi (resi 17   and name HA  ) (resi 19   and name HN  )  4.00  2.20  1.00

! residue 18   Asp , NOEs forward in sequence
assi (resi 18   and name HN  ) (resi 19   and name HB# )  4.00  2.20  3.00
assi (resi 18   and name HN  ) (resi 19   and name HD# )  4.00  2.20  3.40
assi (resi 18   and name HA  ) (resi 19   and name HN  )  3.00  1.20  0.50
assi (resi 18   and name HB1 ) (resi 19   and name HN  )  4.00  2.20  2.00
assi (resi 18   and name HN  ) (resi 31   and name HB# )  4.00  2.20  2.00
assi (resi 18   and name HN  ) (resi 19   and name HN  )  2.50  0.70  0.20

! residue 19   Leu , 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 HA  ) (resi 20   and name HG# )  4.00  2.20  3.40
assi (resi 19   and name HG  ) (resi 20   and name HN  )  2.50  0.70  0.20
assi (resi 19   and name HG  ) (resi 20   and name HA  )  4.00  2.20  2.00
assi (resi 19   and name HD# ) (resi 20   and name HN  )  3.00  1.20  2.90
assi (resi 19   and name HG  ) (resi 28   and name HN  )  4.00  2.20  1.00
assi (resi 19   and name HG  ) (resi 28   and name HB2 )  4.00  2.20  1.00
assi (resi 19   and name HG  ) (resi 28   and name HB1 )  2.50  0.70  1.20
assi (resi 19   and name HB# ) (resi 28   and name HB2 )  4.00  2.20  3.00
assi (resi 19   and name HB# ) (resi 28   and name HB1 )  3.00  1.20  1.50
assi (resi 19   and name HD# ) (resi 28   and name HN  )  4.00  2.20  4.40
assi (resi 19   and name HD# ) (resi 28   and name HB2 )  4.00  2.20  3.40
assi (resi 19   and name HG  ) (resi 29   and name HN  )  4.00  2.20  1.00
assi (resi 19   and name HG  ) (resi 29   and name HA  )  4.00  2.20  2.00
assi (resi 19   and name HD# ) (resi 29   and name HN  )  3.00  1.20  2.90
assi (resi 19   and name HD# ) (resi 29   and name HA  )  3.00  1.20  2.90
assi (resi 19   and name HA  ) (resi 30   and name HA  )  4.00  2.20  2.00
assi (resi 19   and name HB# ) (resi 30   and name HA  )  4.00  2.20  3.00
assi (resi 19   and name HD# ) (resi 30   and name HA  )  2.50  0.70  2.60
assi (resi 19   and name HA  ) (resi 31   and name HN  )  2.50  0.70  0.20
assi (resi 19   and name HA  ) (resi 31   and name HB# )  4.00  2.20  2.00
assi (resi 19   and name HG  ) (resi 31   and name HN  )  4.00  2.20  1.00
assi (resi 19   and name HB# ) (resi 31   and name HN  )  4.00  2.20  3.00
assi (resi 19   and name HD# ) (resi 31   and name HN  )  3.00  1.20  2.90
assi (resi 19   and name HD# ) (resi 32   and name HN  )  4.00  2.20  3.40
assi (resi 19   and name HG  ) (resi 30   and name HN  )  4.00  2.20  1.00

! residue 20   Val , NOEs forward in sequence
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 HB1 )  4.00  2.20  2.00
assi (resi 20   and name HA  ) (resi 21   and name HB2 )  4.00  2.20  2.00
assi (resi 20   and name HB  ) (resi 21   and name HN  )  3.00  1.50  0.50
assi (resi 20   and name HB  ) (resi 21   and name HA  )  4.00  2.20  2.00
assi (resi 20   and name HG# ) (resi 21   and name HN  )  3.00  1.20  2.90
assi (resi 20   and name HG# ) (resi 21   and name HA  )  4.00  2.20  4.40
assi (resi 20   and name HG# ) (resi 22   and name HN  )  4.00  2.20  3.40
assi (resi 20   and name HN  ) (resi 28   and name HB2 )  4.00  2.20  2.00
assi (resi 20   and name HN  ) (resi 28   and name HB1 )  4.00  2.20  1.00
assi (resi 20   and name HN  ) (resi 29   and name HN  )  3.00  1.20  0.50
assi (resi 20   and name HN  ) (resi 29   and name HG# )  3.00  1.20  2.90
assi (resi 20   and name HA  ) (resi 29   and name HN  )  4.00  2.20  2.00
assi (resi 20   and name HB  ) (resi 29   and name HN  )  4.00  2.20  1.00
assi (resi 20   and name HG# ) (resi 29   and name HN  )  4.00  2.20  3.40
assi (resi 20   and name HN  ) (resi 30   and name HA  )  4.00  2.20  1.00
assi (resi 20   and name HG# ) (resi 30   and name HN  )  4.00  2.20  3.40
assi (resi 20   and name HG# ) (resi 30   and name HA  )  4.00  2.20  3.40
assi (resi 20   and name HN  ) (resi 31   and name HN  )  4.00  2.20  1.00
assi (resi 20   and name HN  ) (resi 31   and name HB# )  4.00  2.20  2.00
assi (resi 20   and name HG# ) (resi 31   and name HN  )  4.00  2.20  3.40
assi (resi 20   and name HG# ) (resi 31   and name HA  )  2.50  0.70  2.60
assi (resi 20   and name HG# ) (resi 31   and name HB# )  3.00  1.20  2.90
assi (resi 20   and name HG# ) (resi 32   and name HN  )  4.00  2.20  3.40
assi (resi 20   and name HB# ) (resi 29   and name HG# )  4.00  2.20  4.40

! residue 21   Cys , NOEs forward in sequence
assi (resi 21   and name HN  ) (resi 22   and name HN  )  4.00  2.20  1.00
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 HB# )  4.00  2.20  2.00
assi (resi 21   and name HB1 ) (resi 22   and name HN  )  4.00  2.20  1.00
assi (resi 21   and name HB2 ) (resi 22   and name HN  )  4.00  2.20  1.00
assi (resi 21   and name HN  ) (resi 28   and name HA  )  4.00  2.20  2.00
assi (resi 21   and name HA  ) (resi 28   and name HN  )  4.00  2.20  1.00
assi (resi 21   and name HB2 ) (resi 28   and name HA  )  4.00  2.20  2.00
assi (resi 21   and name HN  ) (resi 29   and name HG# )  4.00  2.20  4.40
assi (resi 21   and name HA  ) (resi 29   and name HN  )  4.00  2.20  3.00
assi (resi 21   and name HA  ) (resi 29   and name HG# )  4.00  2.20  3.40

! residue 22   Ser , 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 HN  ) (resi 23   and name HA  )  4.00  2.20  2.00
assi (resi 22   and name HA  ) (resi 23   and name HN  )  2.50  0.70  0.20
assi (resi 22   and name HB# ) (resi 23   and name HN  )  4.00  2.20  2.00
assi (resi 22   and name HA  ) (resi 24   and name HN  )  4.00  2.20  1.00
assi (resi 22   and name HB# ) (resi 24   and name HN  )  4.00  2.20  3.00
assi (resi 22   and name HN  ) (resi 25   and name HN  )  4.00  2.20  2.00
assi (resi 22   and name HA  ) (resi 25   and name HD1 )  4.00  2.20  2.00
assi (resi 22   and name HB# ) (resi 25   and name HD1 )  4.00  2.20  2.00
assi (resi 22   and name HB# ) (resi 25   and name HB# )  4.00  2.20  3.00
assi (resi 22   and name HN  ) (resi 26   and name HN  )  4.00  2.20  1.00
assi (resi 22   and name HN  ) (resi 26   and name HG# )  4.00  2.20  3.00
assi (resi 22   and name HA  ) (resi 26   and name HN  )  4.00  2.20  1.00
assi (resi 22   and name HN  ) (resi 27   and name HN  )  2.50  0.70  0.20
assi (resi 22   and name HN  ) (resi 27   and name HA  )  4.00  2.20  2.00
assi (resi 22   and name HB# ) (resi 27   and name HD1 )  4.00  2.20  3.00
assi (resi 22   and name HB# ) (resi 27   and name HE1 )  4.00  2.20  3.00
assi (resi 22   and name HN  ) (resi 28   and name HN  )  4.00  2.20  2.00
assi (resi 22   and name HN  ) (resi 28   and name HA  )  4.00  2.20  1.00
assi (resi 22   and name HN  ) (resi 29   and name HN  )  4.00  2.20  1.00
assi (resi 22   and name HN  ) (resi 29   and name HG# )  3.00  1.20  2.90
assi (resi 22   and name HB# ) (resi 29   and name HG# )  4.00  2.20  2.00
assi (resi 22   and name HB# ) (resi 26   and name HN  )  3.00  1.20  1.50
assi (resi 22   and name HN  ) (resi 26   and name HB# )  4.00  2.20  3.00
assi (resi 22   and name HN  ) (resi 27   and name HD1 )  4.00  2.20  1.00

! residue 23   Ser , NOEs forward in sequence
assi (resi 23   and name HN  ) (resi 24   and name HN  )  2.50  0.70  0.20
assi (resi 23   and name HN  ) (resi 24   and name HB1 )  4.00  2.20  2.00
assi (resi 23   and name HN  ) (resi 24   and name HB2 )  4.00  2.20  2.00
assi (resi 23   and name HA  ) (resi 24   and name HN  )  3.00  1.20  0.50
assi (resi 23   and name HN  ) (resi 25   and name HN  )  4.00  2.20  2.00
assi (resi 23   and name HN  ) (resi 26   and name HN  )  4.00  2.20  2.00
assi (resi 23   and name HA  ) (resi 26   and name HN  )  4.00  2.20  2.00
assi (resi 23   and name HN  ) (resi 27   and name HN  )  4.00  2.20  2.00

! residue 24   Arg , NOEs forward in sequence
assi (resi 24   and name HN  ) (resi 25   and name HN  )  2.50  0.70  0.20
assi (resi 24   and name HN  ) (resi 25   and name HB# )  4.00  2.20  2.00
assi (resi 24   and name HA  ) (resi 25   and name HN  )  3.00  1.20  0.50
assi (resi 24   and name HE  ) (resi 25   and name HE1 )  4.00  2.20  2.00
assi (resi 24   and name HE  ) (resi 25   and name HZ2 )  4.00  2.20  1.00
assi (resi 24   and name HB1 ) (resi 25   and name HN  )  4.00  2.20  1.00
assi (resi 24   and name HB2 ) (resi 25   and name HN  )  3.00  1.20  0.50
assi (resi 24   and name HB1 ) (resi 25   and name HD1 )  4.00  2.20  1.00
assi (resi 24   and name HB2 ) (resi 25   and name HD1 )  4.00  2.20  1.00
assi (resi 24   and name HB1 ) (resi 25   and name HE1 )  4.00  2.20  2.00
assi (resi 24   and name HB2 ) (resi 25   and name HE1 )  4.00  2.20  2.00
assi (resi 24   and name HG# ) (resi 25   and name HN  )  4.00  2.20  2.00
assi (resi 24   and name HG# ) (resi 25   and name HA  )  4.00  2.20  3.00
assi (resi 24   and name HG# ) (resi 25   and name HD1 )  4.00  2.20  2.00
assi (resi 24   and name HG# ) (resi 25   and name HE1 )  4.00  2.20  3.00
assi (resi 24   and name HG# ) (resi 25   and name HE3 )  4.00  2.20  3.00
assi (resi 24   and name HD# ) (resi 25   and name HN  )  4.00  2.20  3.00
assi (resi 24   and name HD# ) (resi 25   and name HD1 )  4.00  2.20  3.00
assi (resi 24   and name HD# ) (resi 25   and name HE1 )  4.00  2.20  2.00
assi (resi 24   and name HH# ) (resi 25   and name HZ2 )  4.00  2.20  3.00
assi (resi 24   and name HH# ) (resi 25   and name HH2 )  4.00  2.20  3.00
assi (resi 24   and name HN  ) (resi 26   and name HN  )  4.00  2.20  1.00
assi (resi 24   and name HN  ) (resi 26   and name HG# )  4.00  2.20  4.40
assi (resi 24   and name HB2 ) (resi 26   and name HN  )  4.00  2.20  2.00
assi (resi 24   and name HE  ) (resi 25   and name HE3 )  4.00  2.20  2.00

! residue 25   Trp , NOEs forward in sequence
assi (resi 25   and name HN  ) (resi 26   and name HN  )  2.50  0.70  0.20
assi (resi 25   and name HN  ) (resi 26   and name HA  )  4.00  2.20  1.00
assi (resi 25   and name HA  ) (resi 26   and name HN  )  3.00  1.20  0.50
assi (resi 25   and name HD1 ) (resi 26   and name HN  )  4.00  2.20  1.00
assi (resi 25   and name HB# ) (resi 26   and name HN  )  4.00  2.20  3.00
assi (resi 25   and name HE3 ) (resi 27   and name HH2 )  4.00  2.20  1.00
assi (resi 25   and name HB# ) (resi 27   and name HN  )  4.00  2.20  3.00
assi (resi 25   and name HB# ) (resi 27   and name HE3 )  4.00  2.20  2.00
assi (resi 25   and name HB# ) (resi 27   and name HZ3 )  4.00  2.20  3.00
assi (resi 25   and name HN  ) (resi 29   and name HG# )  4.00  2.20  4.40
assi (resi 25   and name HB# ) (resi 27   and name HE1 )  4.00  2.20  2.00
assi (resi 25   and name HB# ) (resi 27   and name HE3 )  4.00  2.20  3.00

! residue 26   Lys , NOEs forward in sequence
assi (resi 26   and name HN  ) (resi 27   and name HN  )  2.50  0.70  0.20
assi (resi 26   and name HN  ) (resi 27   and name HA  )  4.00  2.20  2.00
assi (resi 26   and name HA  ) (resi 27   and name HN  )  3.00  1.20  0.50
assi (resi 26   and name HB# ) (resi 27   and name HN  )  4.00  2.20  2.00
assi (resi 26   and name HG# ) (resi 27   and name HN  )  4.00  2.20  2.00
assi (resi 26   and name HG# ) (resi 27   and name HE1 )  4.00  2.20  2.00
assi (resi 26   and name HD# ) (resi 27   and name HD1 )  4.00  2.20  3.00
assi (resi 26   and name HD# ) (resi 27   and name HE1 )  4.00  2.20  3.00

! residue 27   Trp , 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  0.50
assi (resi 27   and name HA  ) (resi 28   and name HB2 )  4.00  2.20  2.00
assi (resi 27   and name HD1 ) (resi 28   and name HN  )  4.00  2.20  1.00
assi (resi 27   and name HD1 ) (resi 28   and name HA  )  4.00  2.20  1.00
assi (resi 27   and name HE3 ) (resi 28   and name HN  )  4.00  2.20  2.00
assi (resi 27   and name HB# ) (resi 28   and name HN  )  2.50  0.70  1.20
assi (resi 27   and name HB# ) (resi 28   and name HB2 )  4.00  2.20  3.00
assi (resi 27   and name HN  ) (resi 29   and name HN  )  4.00  2.20  2.00
assi (resi 27   and name HN  ) (resi 29   and name HG# )  4.00  2.20  3.40
assi (resi 27   and name HD1 ) (resi 29   and name HA  )  4.00  2.20  1.00
assi (resi 27   and name HD1 ) (resi 29   and name HB  )  4.00  2.20  1.00
assi (resi 27   and name HD1 ) (resi 29   and name HG# )  2.50  0.70  2.60
assi (resi 27   and name HE1 ) (resi 29   and name HA  )  4.00  2.20  2.00
assi (resi 27   and name HE1 ) (resi 29   and name HB  )  4.00  2.20  2.00
assi (resi 27   and name HE1 ) (resi 29   and name HG# )  2.50  0.70  2.60
assi (resi 27   and name HE1 ) (resi 29   and name HG# )  4.00  2.20  3.40

! residue 28   Cys , NOEs forward in sequence
assi (resi 28   and name HN  ) (resi 29   and name HG# )  4.00  2.20  4.40
assi (resi 28   and name HA  ) (resi 29   and name HN  )  2.50  0.70  0.20
assi (resi 28   and name HA  ) (resi 29   and name HG# )  4.00  2.20  3.40
assi (resi 28   and name HB2 ) (resi 29   and name HN  )  4.00  2.20  1.00
assi (resi 28   and name HB1 ) (resi 29   and name HN  )  4.00  2.20  1.00

! residue 29   Val , NOEs forward in sequence
assi (resi 29   and name HN  ) (resi 30   and name HN  )  4.00  2.20  2.00
assi (resi 29   and name HN  ) (resi 30   and name HA  )  4.00  2.20  2.00
assi (resi 29   and name HA  ) (resi 30   and name HN  )  2.50  0.70  0.20
assi (resi 29   and name HA  ) (resi 30   and name HB# )  4.00  2.20  2.00
assi (resi 29   and name HB  ) (resi 30   and name HN  )  3.00  1.20  0.50
assi (resi 29   and name HB  ) (resi 30   and name HA  )  4.00  2.20  1.00
assi (resi 29   and name HB  ) (resi 30   and name HB# )  4.00  2.20  3.00
assi (resi 29   and name HG# ) (resi 30   and name HN  )  3.00  1.20  2.90
assi (resi 29   and name HG# ) (resi 30   and name HA  )  4.00  2.20  3.40

! residue 30   Leu , NOEs forward in sequence
assi (resi 30   and name HN  ) (resi 31   and name HB# )  4.00  2.20  3.00
assi (resi 30   and name HA  ) (resi 31   and name HN  )  2.50  0.70  0.20
assi (resi 30   and name HA  ) (resi 31   and name HB# )  4.00  2.20  2.00
assi (resi 30   and name HG  ) (resi 31   and name HN  )  4.00  2.20  1.00
assi (resi 30   and name HG  ) (resi 32   and name HN  )  4.00  2.20  2.00
assi (resi 30   and name HB# ) (resi 31   and name HN  )  3.00  1.20  1.50
assi (resi 30   and name HB# ) (resi 32   and name HN  )  4.00  2.20  2.00

! residue 31   Ala , NOEs forward in sequence
assi (resi 31   and name HA  ) (resi 32   and name HN  )  2.50  0.70  0.20
assi (resi 31   and name HB# ) (resi 32   and name HN  )  3.00  1.20  1.50

! residue 32   Ser , NOEs forward in sequence
assi (resi 32   and name HN  ) (resi 33   and name HD# )  4.00  2.20  2.00
assi (resi 32   and name HA  ) (resi 33   and name HD# )  3.00  1.20  1.50
assi (resi 32   and name HN  ) (resi 34   and name HN  )  4.00  2.20  2.00
assi (resi 32   and name HB# ) (resi 34   and name HN  )  4.00  2.20  2.00

! residue 33   Pro , 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 HB# ) (resi 34   and name HN  )  4.00  2.20  3.00
assi (resi 33   and name HD# ) (resi 34   and name HN  )  4.00  2.20  2.00
 
!vstx hydrogenbond noe
!set message=off echo=off end
assign (resid   7 and name o   )  (resid  28 and name hn  ) 2.00 0.20 0.30
assign (resid   7 and name o   )  (resid  28 and name n   ) 2.70 0.40 0.60
assign (resid  20 and name o   )  (resid  29 and name hn  ) 2.00 0.20 0.30
assign (resid  20 and name o   )  (resid  29 and name n   ) 2.70 0.40 0.60
assign (resid  27 and name o   )  (resid  22 and name hn  ) 2.00 0.20 0.30
assign (resid  27 and name o   )  (resid  22 and name n   ) 2.70 0.40 0.60
assign (resid  22 and name o   )  (resid  27 and name hn  ) 2.00 0.20 0.30
assign (resid  22 and name o   )  (resid  27 and name n   ) 2.70 0.40 0.60
!set message=on echo=on end


!vstx s-sbond 
!set message=off echo=off end
assign (resid   2 and name sg  )  (resid  16 and name sg  ) 2.02 0.02 0.02
assign (resid   2 and name cb  )  (resid  16 and name sg  ) 2.99 0.50 0.50
assign (resid   2 and name sg  )  (resid  16 and name cb  ) 2.99 0.50 0.50 
assign (resid   9 and name sg  )  (resid  21 and name sg  ) 2.02 0.02 0.02
assign (resid   9 and name cb  )  (resid  21 and name sg  ) 2.99 0.50 0.50
assign (resid   9 and name sg  )  (resid  21 and name cb  ) 2.99 0.50 0.50
assign (resid  15 and name sg  )  (resid  28 and name sg  ) 2.02 0.02 0.02
assign (resid  15 and name cb  )  (resid  28 and name sg  ) 2.99 0.50 0.50
assign (resid  15 and name sg  )  (resid  28 and name cb  ) 2.99 0.50 0.50 
!set message=on echo=on end


!vstx
!{dihedral}

assign (resid   2 and name c   )  (resid   3 and name n   )
       (resid   3 and name ca  )  (resid   3 and name c   ) 1  -120.0 40.0 2
assign (resid   3 and name c   )  (resid   4 and name n   )
       (resid   4 and name ca  )  (resid   4 and name c   ) 1  -120.0 40.0 2
assign (resid   9 and name c   )  (resid  10 and name n   )
       (resid  10 and name ca  )  (resid  10 and name c   ) 1  -120.0 40.0 2
assign (resid  14 and name c   )  (resid  15 and name n   )
       (resid  15 and name ca  )  (resid  15 and name c   ) 1  -120.0 40.0 2
assign (resid  18 and name c   )  (resid  19 and name n   )
       (resid  19 and name ca  )  (resid  19 and name c   ) 1 -120.0 40.0 2
assign (resid  19 and name c   )  (resid  20 and name n   )
       (resid  20 and name ca  )  (resid  20 and name c   ) 1  -120.0 40.0 2
assign (resid  23 and name c   )  (resid  24 and name n   )
       (resid  24 and name ca  )  (resid  24 and name c   ) 1 -120.0 40.0 2
assign (resid  24 and name c   )  (resid  25 and name n   )
       (resid  25 and name ca  )  (resid  25 and name c   ) 1 -120.0 40.0 2
assign (resid  28 and name c   )  (resid  29 and name n   )
       (resid  29 and name ca  )  (resid  29 and name c   ) 1  -120.0 40.0 2
assign (resid   5 and name n   )  (resid   5 and name ca  )
       (resid   5 and name cb  )  (resid   5 and name cg  ) 1   180.0 60.0 2
assign (resid  15 and name n   )  (resid  15 and name ca  )
       (resid  15 and name cb  )  (resid  15 and name sg  ) 1  -60.0 60.0 2
assign (resid  16 and name n   )  (resid  16 and name ca  )
       (resid  16 and name cb  )  (resid  16 and name sg  ) 1  -60.0 60.0 2
assign (resid  17 and name n   )  (resid  17 and name ca  )
       (resid  17 and name cb  )  (resid  17 and name cg  ) 1  180.0 60.0 2
assign (resid  18 and name n   )  (resid  18 and name ca  )
       (resid  18 and name cb  )  (resid  18 and name cg  ) 1  -60.0 60.0 2
assign (resid  21 and name n   )  (resid  21 and name ca  )
       (resid  21 and name cb  )  (resid  21 and name sg  ) 1  180.0 60.0 2
assign (resid  24 and name n   )  (resid  24 and name ca  )
       (resid  24 and name cb  )  (resid  24 and name cg  ) 1  180.0 60.0 2
assign (resid  28 and name n   )  (resid  28 and name ca  )
       (resid  28 and name cb  )  (resid  28 and name sg  ) 1  -60.0 60.0 2
assign (resid   7 and name n   )  (resid   7 and name ca  )
       (resid   7 and name cb  )  (resid   7 and name sg  ) 1  -60.0 60.0 2
 




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLU   1          1HT       GLU   1  -7.715   7.001  -4.355
    2   2H    GLU   1          2HT       GLU   1  -9.350   6.678  -4.692
    3   3H    GLU   1          3HT       GLU   1  -8.239   5.400  -4.555
    4    HA   GLU   1           HA       GLU   1  -9.382   7.084  -2.408
    5   1HB   GLU   1          2HB       GLU   1  -9.627   4.433  -3.500
    6   2HB   GLU   1          1HB       GLU   1  -9.069   4.326  -1.830
    7   1HG   GLU   1          2HG       GLU   1 -11.448   5.977  -2.727
    8   2HG   GLU   1          1HG       GLU   1 -11.565   4.361  -2.030
    9    H    CYS   2           H        CYS   2  -8.436   5.479  -0.355
   10    HA   CYS   2           HA       CYS   2  -5.473   5.451  -0.462
   11   1HB   CYS   2          2HB       CYS   2  -6.509   7.784   0.116
   12   2HB   CYS   2          1HB       CYS   2  -6.882   7.045   1.672
   13    H    GLY   3           H        GLY   3  -5.169   3.383   0.346
   14   1HA   GLY   3          2HA       GLY   3  -6.872   2.549   2.649
   15   2HA   GLY   3          1HA       GLY   3  -6.085   1.430   1.537
   16    H    LYS   4           H        LYS   4  -5.903   1.782   4.527
   17    HA   LYS   4           HA       LYS   4  -3.181   2.698   5.066
   18   1HB   LYS   4          2HB       LYS   4  -5.580   1.756   6.475
   19   2HB   LYS   4          1HB       LYS   4  -4.081   1.205   7.222
   20   1HG   LYS   4          2HG       LYS   4  -4.638   4.086   6.465
   21   2HG   LYS   4          1HG       LYS   4  -4.861   3.427   8.088
   22   1HD   LYS   4          2HD       LYS   4  -2.271   2.651   7.154
   23   2HD   LYS   4          1HD       LYS   4  -2.452   4.388   6.903
   24   1HE   LYS   4          2HE       LYS   4  -3.530   3.597   9.491
   25   2HE   LYS   4          1HE       LYS   4  -1.822   3.139   9.331
   26   1HZ   LYS   4          1HZ       LYS   4  -1.191   5.295   8.867
   27   2HZ   LYS   4          2HZ       LYS   4  -2.408   5.546  10.024
   28   3HZ   LYS   4          3HZ       LYS   4  -2.744   5.768   8.375
   29    H    PHE   5           H        PHE   5  -1.550   1.187   6.012
   30    HA   PHE   5           HA       PHE   5  -0.748  -0.909   4.414
   31   1HB   PHE   5          2HB       PHE   5   0.439   0.188   6.349
   32   2HB   PHE   5          1HB       PHE   5  -0.527  -0.810   7.434
   33    HD1  PHE   5           1HD      PHE   5   0.359  -2.855   8.129
   34    HD2  PHE   5           2HD      PHE   5   1.641  -1.191   4.378
   35    HE1  PHE   5           1HE      PHE   5   1.987  -4.702   7.864
   36    HE2  PHE   5           2HE      PHE   5   3.269  -3.041   4.120
   37    HZ   PHE   5           HZ       PHE   5   3.444  -4.791   5.857
   38    H    MET   6           H        MET   6  -1.019  -3.194   4.485
   39    HA   MET   6           HA       MET   6  -2.088  -5.238   4.935
   40   1HB   MET   6          2HB       MET   6  -3.595  -3.818   7.131
   41   2HB   MET   6          1HB       MET   6  -3.094  -5.504   7.066
   42   1HG   MET   6          2HG       MET   6  -0.672  -4.497   6.960
   43   2HG   MET   6          1HG       MET   6  -1.440  -3.067   7.650
   44   1HE   MET   6          1HE       MET   6  -1.486  -7.161   8.346
   45   2HE   MET   6          2HE       MET   6  -0.205  -6.902   9.527
   46   3HE   MET   6          3HE       MET   6  -0.017  -6.291   7.886
   47    H    TRP   7           H        TRP   7  -3.564  -2.464   3.876
   48    HA   TRP   7           HA       TRP   7  -6.345  -3.298   3.905
   49   1HB   TRP   7          2HB       TRP   7  -4.656  -1.161   2.710
   50   2HB   TRP   7          1HB       TRP   7  -6.180  -1.502   1.905
   51    HD1  TRP   7           HD       TRP   7  -5.372  -1.488   5.692
   52    HE1  TRP   7           1HE      TRP   7  -7.054   0.120   6.832
   53    HE3  TRP   7           3HE      TRP   7  -7.840   0.236   1.604
   54    HZ2  TRP   7           2HZ      TRP   7  -9.141   1.886   6.104
   55    HZ3  TRP   7           3HZ      TRP   7  -9.687   1.889   1.835
   56    HH2  TRP   7           HH       TRP   7 -10.342   2.717   4.082
   57    H    LYS   8           H        LYS   8  -7.261  -4.809   2.567
   58    HA   LYS   8           HA       LYS   8  -5.901  -6.350   0.637
   59   1HB   LYS   8          2HB       LYS   8  -8.198  -6.669   1.750
   60   2HB   LYS   8          1HB       LYS   8  -8.829  -5.566   0.526
   61   1HG   LYS   8          2HG       LYS   8  -8.557  -7.081  -1.180
   62   2HG   LYS   8          1HG       LYS   8  -7.135  -7.816  -0.440
   63   1HD   LYS   8          2HD       LYS   8  -9.902  -8.136   0.736
   64   2HD   LYS   8          1HD       LYS   8  -9.261  -9.248  -0.474
   65   1HE   LYS   8          2HE       LYS   8  -7.198  -9.447   1.102
   66   2HE   LYS   8          1HE       LYS   8  -8.275  -8.764   2.337
   67   1HZ   LYS   8          1HZ       LYS   8  -8.443 -11.323   0.942
   68   2HZ   LYS   8          2HZ       LYS   8  -9.910 -10.518   1.238
   69   3HZ   LYS   8          3HZ       LYS   8  -8.886 -10.927   2.530
   70    H    CYS   9           H        CYS   9  -5.589  -6.053  -1.616
   71    HA   CYS   9           HA       CYS   9  -6.538  -3.456  -2.758
   72   1HB   CYS   9          2HB       CYS   9  -4.177  -3.363  -3.747
   73   2HB   CYS   9          1HB       CYS   9  -4.302  -3.094  -2.008
   74    H    LYS  10           H        LYS  10  -6.268  -3.413  -5.157
   75    HA   LYS  10           HA       LYS  10  -6.803  -6.108  -6.342
   76   1HB   LYS  10          2HB       LYS  10  -8.079  -4.850  -7.987
   77   2HB   LYS  10          1HB       LYS  10  -8.544  -4.277  -6.385
   78   1HG   LYS  10          2HG       LYS  10  -6.843  -2.434  -6.636
   79   2HG   LYS  10          1HG       LYS  10  -6.617  -2.950  -8.308
   80   1HD   LYS  10          2HD       LYS  10  -9.386  -2.763  -8.031
   81   2HD   LYS  10          1HD       LYS  10  -8.773  -1.370  -7.140
   82   1HE   LYS  10          2HE       LYS  10  -7.976  -0.350  -9.033
   83   2HE   LYS  10          1HE       LYS  10  -7.474  -1.890  -9.764
   84   1HZ   LYS  10          1HZ       LYS  10  -9.400  -1.023 -10.922
   85   2HZ   LYS  10          2HZ       LYS  10 -10.269  -0.919  -9.465
   86   3HZ   LYS  10          3HZ       LYS  10  -9.824  -2.436 -10.085
   87    H    ASN  11           H        ASN  11  -4.865  -3.183  -6.561
   88    HA   ASN  11           HA       ASN  11  -2.786  -4.541  -8.076
   89   1HB   ASN  11          2HB       ASN  11  -4.796  -3.942  -9.652
   90   2HB   ASN  11          1HB       ASN  11  -4.161  -2.300  -9.540
   91   1HD2  ASN  11          1HD2      ASN  11  -2.046  -1.869 -10.483
   92   2HD2  ASN  11          2HD2      ASN  11  -1.299  -2.978 -11.528
   93    H    SER  12           H        SER  12  -4.184  -1.467  -6.998
   94    HA   SER  12           HA       SER  12  -1.961  -0.534  -5.585
   95   1HB   SER  12          2HB       SER  12  -0.569  -0.533  -7.458
   96   2HB   SER  12          1HB       SER  12  -1.881  -0.104  -8.552
   97    HG   SER  12           HG       SER  12  -0.350   1.508  -6.837
   98    H    ASN  13           H        ASN  13  -4.764   0.198  -7.529
   99    HA   ASN  13           HA       ASN  13  -4.982   3.005  -6.866
  100   1HB   ASN  13          2HB       ASN  13  -6.960   0.893  -7.776
  101   2HB   ASN  13          1HB       ASN  13  -7.311   2.623  -7.729
  102   1HD2  ASN  13          1HD2      ASN  13  -5.851   4.043  -9.109
  103   2HD2  ASN  13          2HD2      ASN  13  -5.179   3.383 -10.521
  104    H    ASP  14           H        ASP  14  -5.181   0.353  -4.857
  105    HA   ASP  14           HA       ASP  14  -7.325   1.567  -3.156
  106   1HB   ASP  14          2HB       ASP  14  -7.173  -0.915  -4.065
  107   2HB   ASP  14          1HB       ASP  14  -6.066  -1.122  -2.706
  108    H    CYS  15           H        CYS  15  -3.914   1.053  -3.373
  109    HA   CYS  15           HA       CYS  15  -3.362   1.126  -0.506
  110   1HB   CYS  15          2HB       CYS  15  -1.626   1.510  -2.964
  111   2HB   CYS  15          1HB       CYS  15  -1.042   1.159  -1.335
  112    H    CYS  16           H        CYS  16  -2.657   2.889   0.696
  113    HA   CYS  16           HA       CYS  16  -3.438   5.547  -0.105
  114   1HB   CYS  16          2HB       CYS  16  -2.248   4.119   2.179
  115   2HB   CYS  16          1HB       CYS  16  -1.726   5.796   2.036
  116    H    LYS  17           H        LYS  17  -1.723   7.393   0.106
  117    HA   LYS  17           HA       LYS  17   0.111   7.361  -1.991
  118   1HB   LYS  17          2HB       LYS  17  -0.590   9.386  -0.865
  119   2HB   LYS  17          1HB       LYS  17   0.104   8.833   0.660
  120   1HG   LYS  17          2HG       LYS  17   2.285   9.226  -0.031
  121   2HG   LYS  17          1HG       LYS  17   1.888   9.041  -1.738
  122   1HD   LYS  17          2HD       LYS  17   0.743  11.188  -1.756
  123   2HD   LYS  17          1HD       LYS  17   0.972  11.360  -0.015
  124   1HE   LYS  17          2HE       LYS  17   3.218  11.886  -0.223
  125   2HE   LYS  17          1HE       LYS  17   3.412  10.920  -1.699
  126   1HZ   LYS  17          1HZ       LYS  17   3.001  13.626  -1.596
  127   2HZ   LYS  17          2HZ       LYS  17   1.478  13.002  -2.016
  128   3HZ   LYS  17          3HZ       LYS  17   2.838  12.643  -2.968
  129    H    ASP  18           H        ASP  18   2.366   6.873  -2.127
  130    HA   ASP  18           HA       ASP  18   4.362   5.729  -1.575
  131   1HB   ASP  18          2HB       ASP  18   3.443   6.341   1.251
  132   2HB   ASP  18          1HB       ASP  18   5.102   6.093   0.705
  133    H    LEU  19           H        LEU  19   1.596   4.348  -1.533
  134    HA   LEU  19           HA       LEU  19   2.542   1.854  -0.174
  135   1HB   LEU  19          2HB       LEU  19   0.716   3.429   0.967
  136   2HB   LEU  19          1HB       LEU  19  -0.360   2.614  -0.169
  137    HG   LEU  19           HG       LEU  19   0.513   0.415   0.687
  138   1HD1  LEU  19          1HD1      LEU  19   2.628   1.583   1.633
  139   2HD1  LEU  19          2HD1      LEU  19   1.893   0.312   2.608
  140   3HD1  LEU  19          3HD1      LEU  19   1.612   2.005   3.007
  141   1HD2  LEU  19          1HD2      LEU  19  -0.646   2.175   2.866
  142   2HD2  LEU  19          2HD2      LEU  19  -0.847   0.432   2.682
  143   3HD2  LEU  19          3HD2      LEU  19  -1.595   1.532   1.524
  144    H    VAL  20           H        VAL  20   2.176   0.007  -1.408
  145    HA   VAL  20           HA       VAL  20   0.430   0.271  -3.828
  146    HB   VAL  20           HB       VAL  20   2.287  -0.936  -5.047
  147   1HG1  VAL  20          1HG1      VAL  20   3.813   1.089  -5.089
  148   2HG1  VAL  20          2HG1      VAL  20   2.839   1.761  -3.781
  149   3HG1  VAL  20          3HG1      VAL  20   2.107   1.446  -5.355
  150   1HG2  VAL  20          1HG2      VAL  20   3.292  -1.789  -2.858
  151   2HG2  VAL  20          2HG2      VAL  20   3.952  -0.169  -2.638
  152   3HG2  VAL  20          3HG2      VAL  20   4.443  -1.141  -4.025
  153    H    CYS  21           H        CYS  21  -0.321  -1.818  -4.637
  154    HA   CYS  21           HA       CYS  21  -0.944  -3.723  -2.545
  155   1HB   CYS  21          2HB       CYS  21  -2.368  -3.111  -4.499
  156   2HB   CYS  21          1HB       CYS  21  -1.193  -3.879  -5.566
  157    H    SER  22           H        SER  22   0.002  -5.789  -2.184
  158    HA   SER  22           HA       SER  22   2.182  -6.631  -4.044
  159   1HB   SER  22          2HB       SER  22   2.506  -5.356  -1.538
  160   2HB   SER  22          1HB       SER  22   2.946  -7.045  -1.300
  161    HG   SER  22           HG       SER  22   4.424  -6.866  -2.960
  162    H    SER  23           H        SER  23   1.884  -8.754  -4.520
  163    HA   SER  23           HA       SER  23  -0.037 -10.414  -3.200
  164   1HB   SER  23          2HB       SER  23   2.209 -11.442  -4.903
  165   2HB   SER  23          1HB       SER  23   0.515 -11.923  -4.900
  166    HG   SER  23           HG       SER  23   0.882 -10.641  -6.691
  167    H    ARG  24           H        ARG  24   3.351  -9.785  -2.691
  168    HA   ARG  24           HA       ARG  24   3.892 -12.240  -1.194
  169   1HB   ARG  24          2HB       ARG  24   5.455 -10.586  -2.523
  170   2HB   ARG  24          1HB       ARG  24   5.468  -9.682  -1.009
  171   1HG   ARG  24          2HG       ARG  24   6.327 -11.591   0.201
  172   2HG   ARG  24          1HG       ARG  24   6.138 -12.629  -1.213
  173   1HD   ARG  24          2HD       ARG  24   8.367 -12.114  -1.506
  174   2HD   ARG  24          1HD       ARG  24   7.696 -10.660  -2.270
  175    HE   ARG  24           HE       ARG  24   8.095  -9.438  -0.217
  176   1HH1  ARG  24          1HH2      ARG  24  10.381 -11.668  -0.718
  177   2HH1  ARG  24          2HH2      ARG  24  10.772 -11.984   0.940
  178   1HH2  ARG  24          1HH1      ARG  24   8.008 -10.304   2.187
  179   2HH2  ARG  24          2HH1      ARG  24   9.428 -11.212   2.583
  180    H    TRP  25           H        TRP  25   3.259  -8.830  -0.425
  181    HA   TRP  25           HA       TRP  25   3.237  -9.349   2.472
  182   1HB   TRP  25          2HB       TRP  25   2.509  -6.938   0.775
  183   2HB   TRP  25          1HB       TRP  25   2.694  -6.925   2.530
  184    HD1  TRP  25           HD       TRP  25   4.622  -6.504  -0.593
  185    HE1  TRP  25           1HE      TRP  25   7.147  -6.423  -0.095
  186    HE3  TRP  25           3HE      TRP  25   4.633  -8.109   4.260
  187    HZ2  TRP  25           2HZ      TRP  25   8.916  -6.959   2.026
  188    HZ3  TRP  25           3HZ      TRP  25   6.774  -8.314   5.497
  189    HH2  TRP  25           HH       TRP  25   8.919  -7.740   4.388
  190    H    LYS  26           H        LYS  26   1.059  -9.590  -0.139
  191    HA   LYS  26           HA       LYS  26  -1.208 -10.195  -0.204
  192   1HB   LYS  26          2HB       LYS  26  -1.766 -11.554   1.543
  193   2HB   LYS  26          1HB       LYS  26  -0.110 -11.261   2.053
  194   1HG   LYS  26          2HG       LYS  26  -1.447  -9.081   3.105
  195   2HG   LYS  26          1HG       LYS  26  -2.629 -10.369   3.279
  196   1HD   LYS  26          2HD       LYS  26   0.115 -10.122   4.488
  197   2HD   LYS  26          1HD       LYS  26  -1.409 -10.533   5.266
  198   1HE   LYS  26          2HE       LYS  26   0.299 -12.311   3.499
  199   2HE   LYS  26          1HE       LYS  26  -0.218 -12.597   5.170
  200   1HZ   LYS  26          1HZ       LYS  26  -2.554 -12.136   3.883
  201   2HZ   LYS  26          2HZ       LYS  26  -1.936 -13.672   4.255
  202   3HZ   LYS  26          3HZ       LYS  26  -1.676 -13.000   2.717
  203    H    TRP  27           H        TRP  27  -0.346  -7.302   0.144
  204    HA   TRP  27           HA       TRP  27  -2.907  -6.106   0.308
  205   1HB   TRP  27          2HB       TRP  27  -2.742  -5.082   2.588
  206   2HB   TRP  27          1HB       TRP  27  -2.892  -6.830   2.642
  207    HD1  TRP  27           HD       TRP  27   0.257  -4.628   2.140
  208    HE1  TRP  27           1HE      TRP  27   2.006  -5.306   3.895
  209    HE3  TRP  27           3HE      TRP  27  -2.410  -8.094   4.767
  210    HZ2  TRP  27           2HZ      TRP  27   2.250  -7.033   6.108
  211    HZ3  TRP  27           3HZ      TRP  27  -1.389  -9.228   6.721
  212    HH2  TRP  27           HH       TRP  27   0.937  -8.705   7.398
  213    H    CYS  28           H        CYS  28  -2.417  -3.607   1.281
  214    HA   CYS  28           HA       CYS  28  -0.547  -2.495  -0.662
  215   1HB   CYS  28          2HB       CYS  28  -2.266  -1.421   1.591
  216   2HB   CYS  28          1HB       CYS  28  -1.282  -0.368   0.570
  217    H    VAL  29           H        VAL  29   1.638  -2.357  -0.284
  218    HA   VAL  29           HA       VAL  29   2.570  -2.386   2.552
  219    HB   VAL  29           HB       VAL  29   4.610  -3.357   1.587
  220   1HG1  VAL  29          1HG1      VAL  29   1.902  -4.472   1.027
  221   2HG1  VAL  29          2HG1      VAL  29   3.190  -5.105   2.051
  222   3HG1  VAL  29          3HG1      VAL  29   3.280  -5.300   0.299
  223   1HG2  VAL  29          1HG2      VAL  29   3.502  -2.190  -0.822
  224   2HG2  VAL  29          2HG2      VAL  29   3.812  -3.908  -1.067
  225   3HG2  VAL  29          3HG2      VAL  29   5.119  -2.841  -0.553
  226    H    LEU  30           H        LEU  30   4.604  -1.167   2.961
  227    HA   LEU  30           HA       LEU  30   4.377   1.588   2.215
  228   1HB   LEU  30          2HB       LEU  30   6.552  -0.083   3.496
  229   2HB   LEU  30          1HB       LEU  30   6.603   1.680   3.412
  230    HG   LEU  30           HG       LEU  30   4.425   0.026   4.715
  231   1HD1  LEU  30          1HD1      LEU  30   6.793   1.579   5.729
  232   2HD1  LEU  30          2HD1      LEU  30   6.198   0.001   6.243
  233   3HD1  LEU  30          3HD1      LEU  30   5.339   1.465   6.722
  234   1HD2  LEU  30          1HD2      LEU  30   3.294   1.927   3.978
  235   2HD2  LEU  30          2HD2      LEU  30   4.730   2.945   4.080
  236   3HD2  LEU  30          3HD2      LEU  30   3.878   2.474   5.551
  237    H    ALA  31           H        ALA  31   4.719   2.195   0.120
  238    HA   ALA  31           HA       ALA  31   6.917   0.968  -1.453
  239   1HB   ALA  31          1HB       ALA  31   5.278   1.280  -2.998
  240   2HB   ALA  31          2HB       ALA  31   5.672   2.998  -2.926
  241   3HB   ALA  31          3HB       ALA  31   4.381   2.346  -1.917
  242    H    SER  32           H        SER  32   7.709   2.447   0.785
  243    HA   SER  32           HA       SER  32   8.294   5.096   0.799
  244   1HB   SER  32          2HB       SER  32   9.751   2.616   1.461
  245   2HB   SER  32          1HB       SER  32  10.766   4.050   1.330
  246    HG   SER  32           HG       SER  32   9.609   3.496   3.428
  247    HA   PRO  33           HA       PRO  33  11.844   4.815  -2.389
  248   1HB   PRO  33          2HB       PRO  33  12.151   2.472  -3.773
  249   2HB   PRO  33          1HB       PRO  33  12.971   2.805  -2.235
  250   1HG   PRO  33          2HG       PRO  33  10.523   1.192  -2.761
  251   2HG   PRO  33          1HG       PRO  33  11.863   0.879  -1.646
  252   1HD   PRO  33          2HD       PRO  33   9.463   1.867  -0.839
  253   2HD   PRO  33          1HD       PRO  33  10.992   2.234  -0.009
  254    H    PHE  34           H        PHE  34  10.050   6.129  -3.306
  255    HA   PHE  34           HA       PHE  34   9.486   5.513  -6.047
  256   1HB   PHE  34          2HB       PHE  34   7.786   4.338  -4.012
  257   2HB   PHE  34          1HB       PHE  34   6.852   5.408  -5.058
  258    HD1  PHE  34           1HD      PHE  34   7.145   2.178  -4.765
  259    HD2  PHE  34           2HD      PHE  34   8.407   5.152  -7.596
  260    HE1  PHE  34           1HE      PHE  34   7.171   0.463  -6.555
  261    HE2  PHE  34           2HE      PHE  34   8.435   3.436  -9.387
  262    HZ   PHE  34           HZ       PHE  34   7.816   1.092  -8.866
  Start of MODEL    2
    1   1H    GLU   1          1HT       GLU   1  -9.325   4.878  -4.291
    2   2H    GLU   1          2HT       GLU   1  -7.720   4.461  -3.923
    3   3H    GLU   1          3HT       GLU   1  -8.063   5.943  -4.679
    4    HA   GLU   1           HA       GLU   1  -8.802   6.931  -2.755
    5   1HB   GLU   1          2HB       GLU   1 -10.092   4.419  -2.627
    6   2HB   GLU   1          1HB       GLU   1  -9.261   4.624  -1.084
    7   1HG   GLU   1          2HG       GLU   1 -10.341   6.753  -0.710
    8   2HG   GLU   1          1HG       GLU   1 -11.040   6.738  -2.329
    9    H    CYS   2           H        CYS   2  -8.192   6.136  -0.174
   10    HA   CYS   2           HA       CYS   2  -5.242   5.596  -0.320
   11   1HB   CYS   2          2HB       CYS   2  -6.241   7.947   0.254
   12   2HB   CYS   2          1HB       CYS   2  -6.623   7.219   1.813
   13    H    GLY   3           H        GLY   3  -5.603   3.311   0.108
   14   1HA   GLY   3          2HA       GLY   3  -7.092   2.528   2.512
   15   2HA   GLY   3          1HA       GLY   3  -6.235   1.436   1.424
   16    H    LYS   4           H        LYS   4  -6.145   1.630   4.395
   17    HA   LYS   4           HA       LYS   4  -3.500   2.693   5.072
   18   1HB   LYS   4          2HB       LYS   4  -5.536   2.637   6.559
   19   2HB   LYS   4          1HB       LYS   4  -5.383   0.881   6.618
   20   1HG   LYS   4          2HG       LYS   4  -4.315   2.022   8.574
   21   2HG   LYS   4          1HG       LYS   4  -3.178   1.058   7.631
   22   1HD   LYS   4          2HD       LYS   4  -2.265   2.991   6.570
   23   2HD   LYS   4          1HD       LYS   4  -3.583   4.014   7.142
   24   1HE   LYS   4          2HE       LYS   4  -2.616   3.040   9.516
   25   2HE   LYS   4          1HE       LYS   4  -1.130   3.170   8.554
   26   1HZ   LYS   4          1HZ       LYS   4  -1.308   5.332   9.173
   27   2HZ   LYS   4          2HZ       LYS   4  -2.993   5.260   9.382
   28   3HZ   LYS   4          3HZ       LYS   4  -2.333   5.401   7.823
   29    H    PHE   5           H        PHE   5  -1.746   1.295   5.894
   30    HA   PHE   5           HA       PHE   5  -0.866  -0.747   4.263
   31   1HB   PHE   5          2HB       PHE   5   0.431   0.339   6.054
   32   2HB   PHE   5          1HB       PHE   5  -0.540  -0.491   7.268
   33    HD1  PHE   5           1HD      PHE   5   0.544  -2.304   8.256
   34    HD2  PHE   5           2HD      PHE   5   1.230  -1.488   4.095
   35    HE1  PHE   5           1HE      PHE   5   2.064  -4.255   8.120
   36    HE2  PHE   5           2HE      PHE   5   2.748  -3.445   3.968
   37    HZ   PHE   5           HZ       PHE   5   3.165  -4.820   5.977
   38    H    MET   6           H        MET   6  -0.952  -3.042   4.353
   39    HA   MET   6           HA       MET   6  -1.849  -5.159   4.830
   40   1HB   MET   6          2HB       MET   6  -3.425  -3.832   7.037
   41   2HB   MET   6          1HB       MET   6  -2.842  -5.493   6.963
   42   1HG   MET   6          2HG       MET   6  -0.474  -4.418   6.864
   43   2HG   MET   6          1HG       MET   6  -1.275  -2.976   7.484
   44   1HE   MET   6          1HE       MET   6  -0.993  -7.128   9.173
   45   2HE   MET   6          2HE       MET   6   0.545  -6.287   8.997
   46   3HE   MET   6          3HE       MET   6  -0.518  -6.463   7.604
   47    H    TRP   7           H        TRP   7  -3.583  -2.474   3.860
   48    HA   TRP   7           HA       TRP   7  -6.281  -3.482   3.891
   49   1HB   TRP   7          2HB       TRP   7  -4.720  -1.284   2.652
   50   2HB   TRP   7          1HB       TRP   7  -6.201  -1.734   1.814
   51    HD1  TRP   7           HD       TRP   7  -5.588  -1.746   5.621
   52    HE1  TRP   7           1HE      TRP   7  -7.358  -0.197   6.708
   53    HE3  TRP   7           3HE      TRP   7  -7.836   0.095   1.445
   54    HZ2  TRP   7           2HZ      TRP   7  -9.423   1.567   5.915
   55    HZ3  TRP   7           3HZ      TRP   7  -9.711   1.718   1.626
   56    HH2  TRP   7           HH       TRP   7 -10.506   2.458   3.859
   57    H    LYS   8           H        LYS   8  -7.214  -4.982   2.577
   58    HA   LYS   8           HA       LYS   8  -5.704  -6.450   0.591
   59   1HB   LYS   8          2HB       LYS   8  -8.584  -6.297   1.503
   60   2HB   LYS   8          1HB       LYS   8  -8.101  -7.363   0.183
   61   1HG   LYS   8          2HG       LYS   8  -7.658  -8.866   1.828
   62   2HG   LYS   8          1HG       LYS   8  -6.190  -7.922   2.076
   63   1HD   LYS   8          2HD       LYS   8  -6.984  -6.926   3.984
   64   2HD   LYS   8          1HD       LYS   8  -8.653  -6.924   3.414
   65   1HE   LYS   8          2HE       LYS   8  -8.923  -9.266   3.934
   66   2HE   LYS   8          1HE       LYS   8  -7.187  -9.445   4.257
   67   1HZ   LYS   8          1HZ       LYS   8  -7.742  -7.394   5.830
   68   2HZ   LYS   8          2HZ       LYS   8  -7.848  -9.004   6.363
   69   3HZ   LYS   8          3HZ       LYS   8  -9.248  -8.172   5.878
   70    H    CYS   9           H        CYS   9  -5.527  -5.978  -1.581
   71    HA   CYS   9           HA       CYS   9  -7.474  -4.084  -2.812
   72   1HB   CYS   9          2HB       CYS   9  -5.188  -3.193  -3.875
   73   2HB   CYS   9          1HB       CYS   9  -5.780  -2.584  -2.333
   74    H    LYS  10           H        LYS  10  -6.338  -3.850  -5.282
   75    HA   LYS  10           HA       LYS  10  -6.375  -6.667  -6.290
   76   1HB   LYS  10          2HB       LYS  10  -7.397  -5.755  -8.249
   77   2HB   LYS  10          1HB       LYS  10  -8.167  -4.936  -6.889
   78   1HG   LYS  10          2HG       LYS  10  -6.518  -3.059  -7.163
   79   2HG   LYS  10          1HG       LYS  10  -5.922  -3.856  -8.620
   80   1HD   LYS  10          2HD       LYS  10  -8.865  -3.427  -8.413
   81   2HD   LYS  10          1HD       LYS  10  -7.863  -2.006  -8.710
   82   1HE   LYS  10          2HE       LYS  10  -8.083  -2.667 -10.907
   83   2HE   LYS  10          1HE       LYS  10  -6.763  -3.774 -10.484
   84   1HZ   LYS  10          1HZ       LYS  10  -9.050  -4.669 -11.410
   85   2HZ   LYS  10          2HZ       LYS  10  -9.487  -4.562  -9.771
   86   3HZ   LYS  10          3HZ       LYS  10  -8.170  -5.526 -10.240
   87    H    ASN  11           H        ASN  11  -4.758  -3.516  -6.713
   88    HA   ASN  11           HA       ASN  11  -2.270  -4.885  -7.493
   89   1HB   ASN  11          2HB       ASN  11  -4.070  -4.466  -9.456
   90   2HB   ASN  11          1HB       ASN  11  -3.256  -2.901  -9.479
   91   1HD2  ASN  11          1HD2      ASN  11  -2.600  -3.917 -11.737
   92   2HD2  ASN  11          2HD2      ASN  11  -1.158  -4.810 -11.751
   93    H    SER  12           H        SER  12  -3.989  -1.767  -7.323
   94    HA   SER  12           HA       SER  12  -2.183  -0.529  -5.551
   95   1HB   SER  12          2HB       SER  12  -1.308  -0.807  -8.321
   96   2HB   SER  12          1HB       SER  12  -1.280   0.869  -7.779
   97    HG   SER  12           HG       SER  12   0.049  -1.386  -6.717
   98    H    ASN  13           H        ASN  13  -5.057  -0.501  -6.537
   99    HA   ASN  13           HA       ASN  13  -5.313   2.412  -7.167
  100   1HB   ASN  13          2HB       ASN  13  -7.202   1.824  -8.377
  101   2HB   ASN  13          1HB       ASN  13  -6.295   0.319  -8.504
  102   1HD2  ASN  13          1HD2      ASN  13  -6.793  -1.289  -6.583
  103   2HD2  ASN  13          2HD2      ASN  13  -8.421  -1.396  -6.112
  104    H    ASP  14           H        ASP  14  -5.195   0.550  -4.501
  105    HA   ASP  14           HA       ASP  14  -7.236   2.212  -3.063
  106   1HB   ASP  14          2HB       ASP  14  -7.642  -0.358  -3.647
  107   2HB   ASP  14          1HB       ASP  14  -6.629  -0.597  -2.223
  108    H    CYS  15           H        CYS  15  -3.998   1.371  -3.343
  109    HA   CYS  15           HA       CYS  15  -3.293   1.276  -0.513
  110   1HB   CYS  15          2HB       CYS  15  -1.644   1.749  -3.015
  111   2HB   CYS  15          1HB       CYS  15  -1.025   1.237  -1.445
  112    H    CYS  16           H        CYS  16  -2.518   2.980   0.742
  113    HA   CYS  16           HA       CYS  16  -3.209   5.690   0.016
  114   1HB   CYS  16          2HB       CYS  16  -2.083   4.168   2.268
  115   2HB   CYS  16          1HB       CYS  16  -1.488   5.823   2.162
  116    H    LYS  17           H        LYS  17  -1.553   7.494   0.029
  117    HA   LYS  17           HA       LYS  17   0.349   7.365  -1.974
  118   1HB   LYS  17          2HB       LYS  17  -0.441   9.384  -0.743
  119   2HB   LYS  17          1HB       LYS  17   0.541   8.898   0.640
  120   1HG   LYS  17          2HG       LYS  17   2.535   9.394  -0.424
  121   2HG   LYS  17          1HG       LYS  17   1.869   9.108  -2.032
  122   1HD   LYS  17          2HD       LYS  17   0.993  11.430  -0.301
  123   2HD   LYS  17          1HD       LYS  17   2.332  11.550  -1.443
  124   1HE   LYS  17          2HE       LYS  17   0.636  10.599  -3.187
  125   2HE   LYS  17          1HE       LYS  17  -0.595  11.117  -2.018
  126   1HZ   LYS  17          1HZ       LYS  17  -0.277  13.062  -3.156
  127   2HZ   LYS  17          2HZ       LYS  17   1.354  12.734  -3.501
  128   3HZ   LYS  17          3HZ       LYS  17   0.898  13.247  -1.947
  129    H    ASP  18           H        ASP  18   2.667   6.978  -1.977
  130    HA   ASP  18           HA       ASP  18   4.601   5.757  -1.361
  131   1HB   ASP  18          2HB       ASP  18   3.449   7.007   1.084
  132   2HB   ASP  18          1HB       ASP  18   4.668   5.758   1.347
  133    H    LEU  19           H        LEU  19   1.893   4.405  -1.600
  134    HA   LEU  19           HA       LEU  19   2.655   1.897  -0.172
  135   1HB   LEU  19          2HB       LEU  19   0.821   3.493   0.900
  136   2HB   LEU  19          1HB       LEU  19  -0.219   2.746  -0.313
  137    HG   LEU  19           HG       LEU  19   0.550   0.497   0.528
  138   1HD1  LEU  19          1HD1      LEU  19   2.615   1.582   1.616
  139   2HD1  LEU  19          2HD1      LEU  19   1.794   0.326   2.539
  140   3HD1  LEU  19          3HD1      LEU  19   1.542   2.026   2.934
  141   1HD2  LEU  19          1HD2      LEU  19  -0.741   0.717   2.733
  142   2HD2  LEU  19          2HD2      LEU  19  -1.592   1.227   1.275
  143   3HD2  LEU  19          3HD2      LEU  19  -0.886   2.432   2.352
  144    H    VAL  20           H        VAL  20   2.222   0.045  -1.369
  145    HA   VAL  20           HA       VAL  20   0.590   0.318  -3.853
  146    HB   VAL  20           HB       VAL  20   2.463  -0.870  -5.055
  147   1HG1  VAL  20          1HG1      VAL  20   3.398   1.713  -3.786
  148   2HG1  VAL  20          2HG1      VAL  20   2.124   1.660  -5.005
  149   3HG1  VAL  20          3HG1      VAL  20   3.752   1.114  -5.408
  150   1HG2  VAL  20          1HG2      VAL  20   4.061  -1.809  -3.771
  151   2HG2  VAL  20          2HG2      VAL  20   3.474  -0.964  -2.339
  152   3HG2  VAL  20          3HG2      VAL  20   4.638  -0.182  -3.408
  153    H    CYS  21           H        CYS  21  -0.568  -1.552  -4.294
  154    HA   CYS  21           HA       CYS  21  -0.901  -3.543  -2.271
  155   1HB   CYS  21          2HB       CYS  21  -2.431  -2.702  -4.181
  156   2HB   CYS  21          1HB       CYS  21  -1.575  -3.858  -5.196
  157    H    SER  22           H        SER  22  -0.001  -5.622  -2.060
  158    HA   SER  22           HA       SER  22   1.892  -6.521  -4.192
  159   1HB   SER  22          2HB       SER  22   2.444  -5.595  -1.466
  160   2HB   SER  22          1HB       SER  22   3.145  -7.172  -1.814
  161    HG   SER  22           HG       SER  22   3.856  -4.713  -2.712
  162    H    SER  23           H        SER  23   1.439  -8.610  -4.699
  163    HA   SER  23           HA       SER  23  -0.408 -10.233  -3.244
  164   1HB   SER  23          2HB       SER  23   0.804 -10.166  -5.742
  165   2HB   SER  23          1HB       SER  23   1.480 -11.616  -5.006
  166    HG   SER  23           HG       SER  23  -0.475 -12.090  -6.042
  167    H    ARG  24           H        ARG  24   2.956  -9.612  -2.910
  168    HA   ARG  24           HA       ARG  24   3.692 -12.120  -1.595
  169   1HB   ARG  24          2HB       ARG  24   5.276 -10.685  -2.842
  170   2HB   ARG  24          1HB       ARG  24   4.965  -9.364  -1.721
  171   1HG   ARG  24          2HG       ARG  24   6.587 -10.159  -0.384
  172   2HG   ARG  24          1HG       ARG  24   5.622 -11.615  -0.135
  173   1HD   ARG  24          2HD       ARG  24   6.663 -12.710  -2.036
  174   2HD   ARG  24          1HD       ARG  24   7.513 -11.217  -2.481
  175    HE   ARG  24           HE       ARG  24   8.060 -11.914   0.265
  176   1HH1  ARG  24          1HH2      ARG  24   8.597 -14.513  -1.108
  177   2HH1  ARG  24          2HH2      ARG  24  10.253 -14.340  -1.583
  178   1HH2  ARG  24          1HH1      ARG  24  10.294 -10.900  -1.162
  179   2HH2  ARG  24          2HH1      ARG  24  11.214 -12.296  -1.614
  180    H    TRP  25           H        TRP  25   3.286  -8.755  -0.554
  181    HA   TRP  25           HA       TRP  25   3.263  -9.466   2.284
  182   1HB   TRP  25          2HB       TRP  25   2.564  -6.911   0.793
  183   2HB   TRP  25          1HB       TRP  25   2.894  -7.034   2.521
  184    HD1  TRP  25           HD       TRP  25   4.580  -6.260  -0.611
  185    HE1  TRP  25           1HE      TRP  25   7.140  -6.440  -0.368
  186    HE3  TRP  25           3HE      TRP  25   4.892  -8.765   3.834
  187    HZ2  TRP  25           2HZ      TRP  25   9.040  -7.480   1.426
  188    HZ3  TRP  25           3HZ      TRP  25   7.110  -9.338   4.787
  189    HH2  TRP  25           HH       TRP  25   9.188  -8.701   3.591
  190    H    LYS  26           H        LYS  26   0.990  -9.523  -0.242
  191    HA   LYS  26           HA       LYS  26  -1.297 -10.087  -0.224
  192   1HB   LYS  26          2HB       LYS  26  -1.829 -11.404   1.559
  193   2HB   LYS  26          1HB       LYS  26  -0.170 -11.109   2.066
  194   1HG   LYS  26          2HG       LYS  26  -1.405  -8.893   3.080
  195   2HG   LYS  26          1HG       LYS  26  -2.704 -10.075   3.202
  196   1HD   LYS  26          2HD       LYS  26   0.035 -10.135   4.461
  197   2HD   LYS  26          1HD       LYS  26  -1.541 -10.277   5.242
  198   1HE   LYS  26          2HE       LYS  26  -1.875 -12.465   3.999
  199   2HE   LYS  26          1HE       LYS  26  -0.176 -12.352   3.494
  200   1HZ   LYS  26          1HZ       LYS  26   0.579 -12.564   5.623
  201   2HZ   LYS  26          2HZ       LYS  26  -0.833 -13.500   5.751
  202   3HZ   LYS  26          3HZ       LYS  26  -0.816 -11.898   6.316
  203    H    TRP  27           H        TRP  27  -0.239  -7.209   0.187
  204    HA   TRP  27           HA       TRP  27  -2.778  -5.928   0.379
  205   1HB   TRP  27          2HB       TRP  27  -2.468  -4.930   2.663
  206   2HB   TRP  27          1HB       TRP  27  -2.686  -6.673   2.701
  207    HD1  TRP  27           HD       TRP  27   0.540  -4.637   2.032
  208    HE1  TRP  27           1HE      TRP  27   2.344  -5.403   3.687
  209    HE3  TRP  27           3HE      TRP  27  -2.167  -7.929   4.843
  210    HZ2  TRP  27           2HZ      TRP  27   2.621  -7.128   5.894
  211    HZ3  TRP  27           3HZ      TRP  27  -1.095  -9.108   6.742
  212    HH2  TRP  27           HH       TRP  27   1.294  -8.713   7.276
  213    H    CYS  28           H        CYS  28  -2.367  -3.444   0.988
  214    HA   CYS  28           HA       CYS  28  -0.386  -2.427  -0.858
  215   1HB   CYS  28          2HB       CYS  28  -2.064  -1.199   1.356
  216   2HB   CYS  28          1HB       CYS  28  -1.124  -0.245   0.211
  217    H    VAL  29           H        VAL  29   1.817  -2.501  -0.379
  218    HA   VAL  29           HA       VAL  29   2.648  -2.459   2.473
  219    HB   VAL  29           HB       VAL  29   4.906  -2.997   1.363
  220   1HG1  VAL  29          1HG1      VAL  29   2.618  -4.574   1.941
  221   2HG1  VAL  29          2HG1      VAL  29   4.305  -5.090   1.908
  222   3HG1  VAL  29          3HG1      VAL  29   3.316  -5.211   0.451
  223   1HG2  VAL  29          1HG2      VAL  29   3.451  -3.926  -1.030
  224   2HG2  VAL  29          2HG2      VAL  29   5.056  -3.208  -0.898
  225   3HG2  VAL  29          3HG2      VAL  29   3.625  -2.175  -0.918
  226    H    LEU  30           H        LEU  30   4.399  -1.042   3.158
  227    HA   LEU  30           HA       LEU  30   4.038   1.711   2.507
  228   1HB   LEU  30          2HB       LEU  30   6.369   0.294   3.811
  229   2HB   LEU  30          1HB       LEU  30   5.940   1.992   4.012
  230    HG   LEU  30           HG       LEU  30   3.806  -0.011   4.584
  231   1HD1  LEU  30          1HD1      LEU  30   4.664  -0.677   6.673
  232   2HD1  LEU  30          2HD1      LEU  30   5.893   0.589   6.675
  233   3HD1  LEU  30          3HD1      LEU  30   6.062  -0.803   5.605
  234   1HD2  LEU  30          1HD2      LEU  30   3.498   2.464   4.773
  235   2HD2  LEU  30          2HD2      LEU  30   4.760   2.498   6.005
  236   3HD2  LEU  30          3HD2      LEU  30   3.252   1.635   6.310
  237    H    ALA  31           H        ALA  31   4.499   0.621  -0.011
  238    HA   ALA  31           HA       ALA  31   6.159   0.415  -1.776
  239   1HB   ALA  31          1HB       ALA  31   5.376   3.159  -0.908
  240   2HB   ALA  31          2HB       ALA  31   4.998   2.307  -2.405
  241   3HB   ALA  31          3HB       ALA  31   6.592   3.027  -2.177
  242    H    SER  32           H        SER  32   7.638  -0.249   0.488
  243    HA   SER  32           HA       SER  32  10.173   1.288  -0.009
  244   1HB   SER  32          2HB       SER  32   8.601   0.832   2.428
  245   2HB   SER  32          1HB       SER  32  10.308   0.448   2.618
  246    HG   SER  32           HG       SER  32   9.220   2.809   2.671
  247    HA   PRO  33           HA       PRO  33  11.533  -2.908  -0.692
  248   1HB   PRO  33          2HB       PRO  33  14.062  -2.255  -1.504
  249   2HB   PRO  33          1HB       PRO  33  12.644  -2.102  -2.559
  250   1HG   PRO  33          2HG       PRO  33  14.124  -0.008  -1.066
  251   2HG   PRO  33          1HG       PRO  33  13.344   0.072  -2.653
  252   1HD   PRO  33          2HD       PRO  33  12.272   1.095  -0.331
  253   2HD   PRO  33          1HD       PRO  33  11.327   0.641  -1.765
  254    H    PHE  34           H        PHE  34  11.415  -2.256   1.966
  255    HA   PHE  34           HA       PHE  34  13.919  -1.986   3.333
  256   1HB   PHE  34          2HB       PHE  34  11.103  -2.574   3.886
  257   2HB   PHE  34          1HB       PHE  34  12.198  -3.396   4.998
  258    HD1  PHE  34           1HD      PHE  34  10.531  -0.343   4.303
  259    HD2  PHE  34           2HD      PHE  34  14.162  -1.930   5.955
  260    HE1  PHE  34           1HE      PHE  34  10.904   1.785   5.524
  261    HE2  PHE  34           2HE      PHE  34  14.539   0.196   7.175
  262    HZ   PHE  34           HZ       PHE  34  12.909   2.053   6.959
  Start of MODEL    3
    1   1H    GLU   1          1HT       GLU   1 -11.000   4.467  -2.764
    2   2H    GLU   1          2HT       GLU   1 -10.967   3.662  -1.268
    3   3H    GLU   1          3HT       GLU   1  -9.640   3.556  -2.323
    4    HA   GLU   1           HA       GLU   1  -9.686   6.177  -2.054
    5   1HB   GLU   1          2HB       GLU   1 -10.865   5.000   0.485
    6   2HB   GLU   1          1HB       GLU   1 -10.428   6.691   0.242
    7   1HG   GLU   1          2HG       GLU   1 -12.118   5.841  -1.922
    8   2HG   GLU   1          1HG       GLU   1 -12.891   5.431  -0.391
    9    H    CYS   2           H        CYS   2  -8.185   6.883  -0.046
   10    HA   CYS   2           HA       CYS   2  -5.700   5.669  -0.209
   11   1HB   CYS   2          2HB       CYS   2  -6.658   7.771   1.067
   12   2HB   CYS   2          1HB       CYS   2  -6.724   6.662   2.437
   13    H    GLY   3           H        GLY   3  -4.933   3.670   0.391
   14   1HA   GLY   3          2HA       GLY   3  -6.588   2.077   2.299
   15   2HA   GLY   3          1HA       GLY   3  -5.554   1.375   1.057
   16    H    LYS   4           H        LYS   4  -5.692   1.503   4.229
   17    HA   LYS   4           HA       LYS   4  -2.979   2.440   4.886
   18   1HB   LYS   4          2HB       LYS   4  -5.421   2.085   6.190
   19   2HB   LYS   4          1HB       LYS   4  -4.399   0.810   6.854
   20   1HG   LYS   4          2HG       LYS   4  -2.975   3.349   6.616
   21   2HG   LYS   4          1HG       LYS   4  -4.399   3.478   7.649
   22   1HD   LYS   4          2HD       LYS   4  -3.048   1.012   8.235
   23   2HD   LYS   4          1HD       LYS   4  -1.882   2.334   8.303
   24   1HE   LYS   4          2HE       LYS   4  -4.581   2.458   9.688
   25   2HE   LYS   4          1HE       LYS   4  -3.098   1.907  10.493
   26   1HZ   LYS   4          1HZ       LYS   4  -2.022   3.957   9.958
   27   2HZ   LYS   4          2HZ       LYS   4  -3.494   4.331  10.720
   28   3HZ   LYS   4          3HZ       LYS   4  -3.343   4.483   9.034
   29    H    PHE   5           H        PHE   5  -1.286   1.003   5.626
   30    HA   PHE   5           HA       PHE   5  -0.624  -1.244   4.212
   31   1HB   PHE   5          2HB       PHE   5   0.668  -0.024   6.008
   32   2HB   PHE   5          1HB       PHE   5  -0.245  -0.944   7.202
   33    HD1  PHE   5           1HD      PHE   5   1.676  -1.601   4.023
   34    HD2  PHE   5           2HD      PHE   5   0.756  -2.874   8.022
   35    HE1  PHE   5           1HE      PHE   5   3.295  -3.471   3.811
   36    HE2  PHE   5           2HE      PHE   5   2.369  -4.738   7.801
   37    HZ   PHE   5           HZ       PHE   5   3.642  -5.031   5.691
   38    H    MET   6           H        MET   6  -0.985  -3.483   4.384
   39    HA   MET   6           HA       MET   6  -2.043  -5.480   5.033
   40   1HB   MET   6          2HB       MET   6  -3.412  -3.912   7.216
   41   2HB   MET   6          1HB       MET   6  -2.948  -5.611   7.216
   42   1HG   MET   6          2HG       MET   6  -0.514  -4.611   6.899
   43   2HG   MET   6          1HG       MET   6  -1.245  -3.189   7.643
   44   1HE   MET   6          1HE       MET   6   0.753  -5.963   8.097
   45   2HE   MET   6          2HE       MET   6  -0.585  -7.109   8.102
   46   3HE   MET   6          3HE       MET   6   0.341  -6.842   9.576
   47    H    TRP   7           H        TRP   7  -3.544  -2.694   3.970
   48    HA   TRP   7           HA       TRP   7  -6.322  -3.575   4.087
   49   1HB   TRP   7          2HB       TRP   7  -4.717  -1.361   2.898
   50   2HB   TRP   7          1HB       TRP   7  -6.281  -1.693   2.171
   51    HD1  TRP   7           HD       TRP   7  -5.349  -1.919   5.911
   52    HE1  TRP   7           1HE      TRP   7  -6.946  -0.342   7.207
   53    HE3  TRP   7           3HE      TRP   7  -7.861   0.178   2.022
   54    HZ2  TRP   7           2HZ      TRP   7  -8.992   1.536   6.664
   55    HZ3  TRP   7           3HZ      TRP   7  -9.640   1.866   2.425
   56    HH2  TRP   7           HH       TRP   7 -10.210   2.552   4.740
   57    H    LYS   8           H        LYS   8  -7.276  -5.006   2.689
   58    HA   LYS   8           HA       LYS   8  -5.901  -6.373   0.596
   59   1HB   LYS   8          2HB       LYS   8  -8.173  -7.166   0.048
   60   2HB   LYS   8          1HB       LYS   8  -7.962  -7.119   1.799
   61   1HG   LYS   8          2HG       LYS   8  -8.874  -4.609   1.399
   62   2HG   LYS   8          1HG       LYS   8  -9.671  -5.427   0.054
   63   1HD   LYS   8          2HD       LYS   8  -9.793  -6.306   2.954
   64   2HD   LYS   8          1HD       LYS   8 -11.080  -5.464   2.089
   65   1HE   LYS   8          2HE       LYS   8 -10.051  -7.891   0.731
   66   2HE   LYS   8          1HE       LYS   8 -10.930  -8.182   2.245
   67   1HZ   LYS   8          1HZ       LYS   8 -12.810  -7.136   1.467
   68   2HZ   LYS   8          2HZ       LYS   8 -12.252  -7.881   0.046
   69   3HZ   LYS   8          3HZ       LYS   8 -11.970  -6.226   0.309
   70    H    CYS   9           H        CYS   9  -5.622  -5.796  -1.570
   71    HA   CYS   9           HA       CYS   9  -7.053  -3.352  -2.536
   72   1HB   CYS   9          2HB       CYS   9  -4.692  -2.970  -3.658
   73   2HB   CYS   9          1HB       CYS   9  -4.956  -2.507  -1.979
   74    H    LYS  10           H        LYS  10  -6.482  -3.119  -5.025
   75    HA   LYS  10           HA       LYS  10  -7.174  -5.722  -6.287
   76   1HB   LYS  10          2HB       LYS  10  -7.954  -4.303  -8.101
   77   2HB   LYS  10          1HB       LYS  10  -8.540  -3.631  -6.582
   78   1HG   LYS  10          2HG       LYS  10  -7.661  -1.687  -7.368
   79   2HG   LYS  10          1HG       LYS  10  -6.131  -2.362  -6.820
   80   1HD   LYS  10          2HD       LYS  10  -5.577  -1.889  -9.012
   81   2HD   LYS  10          1HD       LYS  10  -6.196  -3.529  -9.214
   82   1HE   LYS  10          2HE       LYS  10  -8.509  -2.391  -9.580
   83   2HE   LYS  10          1HE       LYS  10  -7.562  -0.915  -9.859
   84   1HZ   LYS  10          1HZ       LYS  10  -6.747  -3.435 -11.141
   85   2HZ   LYS  10          2HZ       LYS  10  -6.464  -1.836 -11.640
   86   3HZ   LYS  10          3HZ       LYS  10  -8.005  -2.527 -11.827
   87    H    ASN  11           H        ASN  11  -4.680  -3.250  -6.235
   88    HA   ASN  11           HA       ASN  11  -2.625  -4.928  -7.246
   89   1HB   ASN  11          2HB       ASN  11  -3.850  -5.002  -9.307
   90   2HB   ASN  11          1HB       ASN  11  -4.138  -3.262  -9.272
   91   1HD2  ASN  11          1HD2      ASN  11  -2.848  -2.266 -10.824
   92   2HD2  ASN  11          2HD2      ASN  11  -1.241  -2.687 -11.174
   93    H    SER  12           H        SER  12  -3.916  -1.665  -6.886
   94    HA   SER  12           HA       SER  12  -1.689  -0.595  -5.563
   95   1HB   SER  12          2HB       SER  12  -1.322  -1.041  -8.388
   96   2HB   SER  12          1HB       SER  12  -1.177   0.677  -8.028
   97    HG   SER  12           HG       SER  12   0.131  -1.377  -6.568
   98    H    ASN  13           H        ASN  13  -4.465  -0.075  -7.616
   99    HA   ASN  13           HA       ASN  13  -4.532   2.829  -7.232
  100   1HB   ASN  13          2HB       ASN  13  -6.243   0.692  -8.471
  101   2HB   ASN  13          1HB       ASN  13  -6.923   2.299  -8.209
  102   1HD2  ASN  13          1HD2      ASN  13  -5.063   0.444 -10.383
  103   2HD2  ASN  13          2HD2      ASN  13  -4.436   1.721 -11.310
  104    H    ASP  14           H        ASP  14  -4.832   0.562  -4.982
  105    HA   ASP  14           HA       ASP  14  -7.167   1.888  -3.639
  106   1HB   ASP  14          2HB       ASP  14  -6.528  -0.870  -4.263
  107   2HB   ASP  14          1HB       ASP  14  -6.707  -0.662  -2.522
  108    H    CYS  15           H        CYS  15  -3.814   1.144  -3.507
  109    HA   CYS  15           HA       CYS  15  -3.545   1.157  -0.600
  110   1HB   CYS  15          2HB       CYS  15  -1.628   1.371  -2.936
  111   2HB   CYS  15          1HB       CYS  15  -1.115   1.199  -1.256
  112    H    CYS  16           H        CYS  16  -2.673   2.830   0.667
  113    HA   CYS  16           HA       CYS  16  -3.390   5.527   0.020
  114   1HB   CYS  16          2HB       CYS  16  -1.974   4.003   2.133
  115   2HB   CYS  16          1HB       CYS  16  -1.590   5.722   2.052
  116    H    LYS  17           H        LYS  17  -1.786   7.361  -0.082
  117    HA   LYS  17           HA       LYS  17  -0.020   7.267  -2.214
  118   1HB   LYS  17          2HB       LYS  17  -0.681   9.343  -1.214
  119   2HB   LYS  17          1HB       LYS  17  -0.010   8.874   0.349
  120   1HG   LYS  17          2HG       LYS  17   1.982   9.741  -0.227
  121   2HG   LYS  17          1HG       LYS  17   2.056   8.662  -1.620
  122   1HD   LYS  17          2HD       LYS  17   1.324  10.265  -3.077
  123   2HD   LYS  17          1HD       LYS  17   0.249  11.000  -1.886
  124   1HE   LYS  17          2HE       LYS  17   1.832  12.656  -1.824
  125   2HE   LYS  17          1HE       LYS  17   2.729  11.518  -0.798
  126   1HZ   LYS  17          1HZ       LYS  17   3.765  12.422  -3.021
  127   2HZ   LYS  17          2HZ       LYS  17   2.850  11.161  -3.704
  128   3HZ   LYS  17          3HZ       LYS  17   4.024  10.822  -2.522
  129    H    ASP  18           H        ASP  18   2.221   6.818  -2.430
  130    HA   ASP  18           HA       ASP  18   4.277   5.771  -1.922
  131   1HB   ASP  18          2HB       ASP  18   3.294   7.070   0.560
  132   2HB   ASP  18          1HB       ASP  18   4.553   5.857   0.780
  133    H    LEU  19           H        LEU  19   1.388   4.450  -1.438
  134    HA   LEU  19           HA       LEU  19   2.498   1.961  -0.197
  135   1HB   LEU  19          2HB       LEU  19   0.680   3.498   0.985
  136   2HB   LEU  19          1HB       LEU  19  -0.419   2.677  -0.122
  137    HG   LEU  19           HG       LEU  19   0.460   0.482   0.711
  138   1HD1  LEU  19          1HD1      LEU  19   1.832   0.440   2.718
  139   2HD1  LEU  19          2HD1      LEU  19   1.783   2.198   2.838
  140   3HD1  LEU  19          3HD1      LEU  19   2.646   1.430   1.510
  141   1HD2  LEU  19          1HD2      LEU  19  -0.696   2.394   2.766
  142   2HD2  LEU  19          2HD2      LEU  19  -0.653   0.639   2.951
  143   3HD2  LEU  19          3HD2      LEU  19  -1.604   1.367   1.656
  144    H    VAL  20           H        VAL  20   2.140   0.089  -1.378
  145    HA   VAL  20           HA       VAL  20   0.346   0.293  -3.766
  146    HB   VAL  20           HB       VAL  20   2.149  -0.821  -5.056
  147   1HG1  VAL  20          1HG1      VAL  20   2.175   1.849  -3.992
  148   2HG1  VAL  20          2HG1      VAL  20   2.741   1.289  -5.566
  149   3HG1  VAL  20          3HG1      VAL  20   3.836   1.293  -4.184
  150   1HG2  VAL  20          1HG2      VAL  20   4.459  -0.545  -3.683
  151   2HG2  VAL  20          2HG2      VAL  20   3.521  -2.039  -3.673
  152   3HG2  VAL  20          3HG2      VAL  20   3.369  -0.894  -2.343
  153    H    CYS  21           H        CYS  21  -0.472  -1.746  -4.500
  154    HA   CYS  21           HA       CYS  21  -1.030  -3.683  -2.427
  155   1HB   CYS  21          2HB       CYS  21  -2.360  -2.902  -4.513
  156   2HB   CYS  21          1HB       CYS  21  -1.362  -4.043  -5.407
  157    H    SER  22           H        SER  22  -0.063  -5.751  -2.115
  158    HA   SER  22           HA       SER  22   2.033  -6.572  -4.074
  159   1HB   SER  22          2HB       SER  22   2.632  -5.169  -1.816
  160   2HB   SER  22          1HB       SER  22   2.743  -6.823  -1.218
  161    HG   SER  22           HG       SER  22   4.673  -5.792  -2.270
  162    H    SER  23           H        SER  23   1.554  -8.637  -4.612
  163    HA   SER  23           HA       SER  23  -0.179 -10.360  -3.156
  164   1HB   SER  23          2HB       SER  23   0.395 -11.914  -4.862
  165   2HB   SER  23          1HB       SER  23   0.584 -10.340  -5.629
  166    HG   SER  23           HG       SER  23   2.367 -12.009  -5.756
  167    H    ARG  24           H        ARG  24   3.142  -9.530  -2.792
  168    HA   ARG  24           HA       ARG  24   3.976 -11.957  -1.385
  169   1HB   ARG  24          2HB       ARG  24   5.334 -10.156  -2.727
  170   2HB   ARG  24          1HB       ARG  24   5.273  -9.238  -1.223
  171   1HG   ARG  24          2HG       ARG  24   5.979 -11.893  -0.522
  172   2HG   ARG  24          1HG       ARG  24   6.983 -11.449  -1.903
  173   1HD   ARG  24          2HD       ARG  24   7.979  -9.650  -0.772
  174   2HD   ARG  24          1HD       ARG  24   6.642  -9.518   0.389
  175    HE   ARG  24           HE       ARG  24   7.423 -11.655   1.392
  176   1HH1  ARG  24          1HH2      ARG  24   9.679  -9.680   1.670
  177   2HH1  ARG  24          2HH2      ARG  24  11.033 -10.606   1.113
  178   1HH2  ARG  24          1HH1      ARG  24   9.076 -13.023  -0.427
  179   2HH2  ARG  24          2HH1      ARG  24  10.690 -12.500  -0.077
  180    H    TRP  25           H        TRP  25   3.144  -8.614  -0.514
  181    HA   TRP  25           HA       TRP  25   3.090  -9.293   2.363
  182   1HB   TRP  25          2HB       TRP  25   2.494  -6.766   0.792
  183   2HB   TRP  25          1HB       TRP  25   2.599  -6.861   2.551
  184    HD1  TRP  25           HD       TRP  25   4.707  -6.440  -0.492
  185    HE1  TRP  25           1HE      TRP  25   7.204  -6.459   0.145
  186    HE3  TRP  25           3HE      TRP  25   4.394  -8.062   4.347
  187    HZ2  TRP  25           2HZ      TRP  25   8.832  -7.065   2.356
  188    HZ3  TRP  25           3HZ      TRP  25   6.455  -8.351   5.699
  189    HH2  TRP  25           HH       TRP  25   8.678  -7.854   4.711
  190    H    LYS  26           H        LYS  26   1.057  -9.732  -0.205
  191    HA   LYS  26           HA       LYS  26  -1.246 -10.063  -0.449
  192   1HB   LYS  26          2HB       LYS  26  -2.064 -11.460   1.226
  193   2HB   LYS  26          1HB       LYS  26  -0.331 -11.568   1.498
  194   1HG   LYS  26          2HG       LYS  26  -1.405  -9.328   2.986
  195   2HG   LYS  26          1HG       LYS  26  -2.318 -10.782   3.351
  196   1HD   LYS  26          2HD       LYS  26   0.673 -10.379   3.615
  197   2HD   LYS  26          1HD       LYS  26  -0.484 -10.736   4.891
  198   1HE   LYS  26          2HE       LYS  26   0.054 -12.921   4.580
  199   2HE   LYS  26          1HE       LYS  26  -0.850 -12.817   3.055
  200   1HZ   LYS  26          1HZ       LYS  26   1.172 -13.302   2.190
  201   2HZ   LYS  26          2HZ       LYS  26   2.027 -12.676   3.519
  202   3HZ   LYS  26          3HZ       LYS  26   1.399 -11.628   2.339
  203    H    TRP  27           H        TRP  27  -0.358  -7.315   0.139
  204    HA   TRP  27           HA       TRP  27  -2.872  -6.052   0.411
  205   1HB   TRP  27          2HB       TRP  27  -2.666  -5.184   2.749
  206   2HB   TRP  27          1HB       TRP  27  -2.881  -6.924   2.684
  207    HD1  TRP  27           HD       TRP  27   0.369  -4.836   2.324
  208    HE1  TRP  27           1HE      TRP  27   2.065  -5.697   4.063
  209    HE3  TRP  27           3HE      TRP  27  -2.495  -8.305   4.707
  210    HZ2  TRP  27           2HZ      TRP  27   2.187  -7.567   6.176
  211    HZ3  TRP  27           3HZ      TRP  27  -1.571  -9.607   6.604
  212    HH2  TRP  27           HH       TRP  27   0.770  -9.244   7.345
  213    H    CYS  28           H        CYS  28  -2.460  -3.607   1.243
  214    HA   CYS  28           HA       CYS  28  -0.550  -2.441  -0.549
  215   1HB   CYS  28          2HB       CYS  28  -2.126  -1.471   1.851
  216   2HB   CYS  28          1HB       CYS  28  -1.182  -0.382   0.831
  217    H    VAL  29           H        VAL  29   1.609  -1.861  -0.189
  218    HA   VAL  29           HA       VAL  29   2.655  -2.334   2.579
  219    HB   VAL  29           HB       VAL  29   4.771  -2.980   1.261
  220   1HG1  VAL  29          1HG1      VAL  29   3.371  -5.185   0.489
  221   2HG1  VAL  29          2HG1      VAL  29   2.236  -4.462   1.630
  222   3HG1  VAL  29          3HG1      VAL  29   3.870  -4.876   2.152
  223   1HG2  VAL  29          1HG2      VAL  29   3.907  -1.971  -0.882
  224   2HG2  VAL  29          2HG2      VAL  29   2.716  -3.270  -0.950
  225   3HG2  VAL  29          3HG2      VAL  29   4.436  -3.646  -1.044
  226    H    LEU  30           H        LEU  30   3.977  -0.797   3.425
  227    HA   LEU  30           HA       LEU  30   4.058   1.855   2.546
  228   1HB   LEU  30          2HB       LEU  30   6.230   1.838   3.994
  229   2HB   LEU  30          1HB       LEU  30   4.705   1.403   4.760
  230    HG   LEU  30           HG       LEU  30   5.840  -0.969   3.600
  231   1HD1  LEU  30          1HD1      LEU  30   7.789   0.917   4.656
  232   2HD1  LEU  30          2HD1      LEU  30   8.057  -0.630   3.852
  233   3HD1  LEU  30          3HD1      LEU  30   7.770  -0.578   5.591
  234   1HD2  LEU  30          1HD2      LEU  30   5.633  -1.778   5.870
  235   2HD2  LEU  30          2HD2      LEU  30   4.264  -0.710   5.558
  236   3HD2  LEU  30          3HD2      LEU  30   5.634  -0.133   6.507
  237    H    ALA  31           H        ALA  31   4.575   2.106   0.323
  238    HA   ALA  31           HA       ALA  31   6.946   0.872  -0.855
  239   1HB   ALA  31          1HB       ALA  31   6.016   1.670  -2.798
  240   2HB   ALA  31          2HB       ALA  31   5.654   3.246  -2.093
  241   3HB   ALA  31          3HB       ALA  31   4.594   1.872  -1.777
  242    H    SER  32           H        SER  32   7.896   2.125   1.363
  243    HA   SER  32           HA       SER  32   9.620   3.609   2.007
  244   1HB   SER  32          2HB       SER  32  11.045   3.552   0.251
  245   2HB   SER  32          1HB       SER  32   9.715   3.302  -0.873
  246    HG   SER  32           HG       SER  32   9.856   5.324  -1.402
  247    HA   PRO  33           HA       PRO  33   6.576   6.990   2.176
  248   1HB   PRO  33          2HB       PRO  33   6.995   7.537   4.822
  249   2HB   PRO  33          1HB       PRO  33   5.902   6.254   4.263
  250   1HG   PRO  33          2HG       PRO  33   8.671   6.052   5.327
  251   2HG   PRO  33          1HG       PRO  33   7.291   4.967   5.551
  252   1HD   PRO  33          2HD       PRO  33   9.362   4.488   3.817
  253   2HD   PRO  33          1HD       PRO  33   7.730   3.808   3.638
  254    H    PHE  34           H        PHE  34   8.254   8.095   0.791
  255    HA   PHE  34           HA       PHE  34  10.601   9.335   1.861
  256   1HB   PHE  34          2HB       PHE  34   9.853   8.917  -0.562
  257   2HB   PHE  34          1HB       PHE  34   8.862  10.367  -0.391
  258    HD1  PHE  34           1HD      PHE  34  12.091   9.127  -1.226
  259    HD2  PHE  34           2HD      PHE  34  10.083  12.496   0.528
  260    HE1  PHE  34           1HE      PHE  34  14.075  10.545  -1.678
  261    HE2  PHE  34           2HE      PHE  34  12.068  13.914   0.077
  262    HZ   PHE  34           HZ       PHE  34  14.062  12.939  -1.027
  Start of MODEL    4
    1   1H    GLU   1          1HT       GLU   1 -12.649   6.059  -0.418
    2   2H    GLU   1          2HT       GLU   1 -12.221   4.710   0.522
    3   3H    GLU   1          3HT       GLU   1 -11.898   4.723  -1.146
    4    HA   GLU   1           HA       GLU   1 -10.469   6.795  -0.620
    5   1HB   GLU   1          2HB       GLU   1 -10.595   5.388   2.062
    6   2HB   GLU   1          1HB       GLU   1  -9.768   6.901   1.691
    7   1HG   GLU   1          2HG       GLU   1 -12.759   6.518   1.409
    8   2HG   GLU   1          1HG       GLU   1 -11.994   7.193   2.848
    9    H    CYS   2           H        CYS   2  -8.091   6.216   0.154
   10    HA   CYS   2           HA       CYS   2  -7.177   3.946  -1.365
   11   1HB   CYS   2          2HB       CYS   2  -5.018   4.667  -0.563
   12   2HB   CYS   2          1HB       CYS   2  -5.987   6.121  -0.812
   13    H    GLY   3           H        GLY   3  -5.252   2.798   0.276
   14   1HA   GLY   3          2HA       GLY   3  -6.818   1.541   2.480
   15   2HA   GLY   3          1HA       GLY   3  -5.955   0.529   1.320
   16    H    LYS   4           H        LYS   4  -5.658   1.414   4.360
   17    HA   LYS   4           HA       LYS   4  -2.931   2.468   4.435
   18   1HB   LYS   4          2HB       LYS   4  -4.957   2.636   6.112
   19   2HB   LYS   4          1HB       LYS   4  -4.354   1.085   6.699
   20   1HG   LYS   4          2HG       LYS   4  -2.398   3.317   6.311
   21   2HG   LYS   4          1HG       LYS   4  -3.452   3.359   7.725
   22   1HD   LYS   4          2HD       LYS   4  -2.491   0.696   7.485
   23   2HD   LYS   4          1HD       LYS   4  -1.101   1.767   7.304
   24   1HE   LYS   4          2HE       LYS   4  -1.354   1.341   9.670
   25   2HE   LYS   4          1HE       LYS   4  -1.941   2.993   9.391
   26   1HZ   LYS   4          1HZ       LYS   4  -3.527   0.511   9.693
   27   2HZ   LYS   4          2HZ       LYS   4  -4.179   1.906   8.976
   28   3HZ   LYS   4          3HZ       LYS   4  -3.647   1.945  10.589
   29    H    PHE   5           H        PHE   5  -1.128   1.164   5.440
   30    HA   PHE   5           HA       PHE   5  -0.442  -1.164   4.169
   31   1HB   PHE   5          2HB       PHE   5   0.878   0.216   5.829
   32   2HB   PHE   5          1HB       PHE   5   0.038  -0.651   7.115
   33    HD1  PHE   5           1HD      PHE   5   1.555  -1.665   3.829
   34    HD2  PHE   5           2HD      PHE   5   1.389  -2.302   8.072
   35    HE1  PHE   5           1HE      PHE   5   3.188  -3.523   3.618
   36    HE2  PHE   5           2HE      PHE   5   3.020  -4.154   7.859
   37    HZ   PHE   5           HZ       PHE   5   3.922  -4.760   5.628
   38    H    MET   6           H        MET   6  -0.835  -3.359   4.410
   39    HA   MET   6           HA       MET   6  -1.797  -5.349   5.228
   40   1HB   MET   6          2HB       MET   6  -2.989  -3.711   7.466
   41   2HB   MET   6          1HB       MET   6  -2.507  -5.403   7.487
   42   1HG   MET   6          2HG       MET   6  -0.115  -4.421   6.947
   43   2HG   MET   6          1HG       MET   6  -0.787  -2.951   7.653
   44   1HE   MET   6          1HE       MET   6  -0.005  -6.396   7.691
   45   2HE   MET   6          2HE       MET   6  -0.851  -7.081   9.078
   46   3HE   MET   6          3HE       MET   6   0.839  -6.609   9.230
   47    H    TRP   7           H        TRP   7  -3.319  -2.845   3.863
   48    HA   TRP   7           HA       TRP   7  -6.103  -3.765   4.355
   49   1HB   TRP   7          2HB       TRP   7  -4.756  -1.400   3.084
   50   2HB   TRP   7          1HB       TRP   7  -6.433  -1.750   2.700
   51    HD1  TRP   7           HD       TRP   7  -4.740  -2.234   6.121
   52    HE1  TRP   7           1HE      TRP   7  -6.012  -0.788   7.850
   53    HE3  TRP   7           3HE      TRP   7  -7.989   0.183   3.037
   54    HZ2  TRP   7           2HZ      TRP   7  -8.101   1.112   7.915
   55    HZ3  TRP   7           3HZ      TRP   7  -9.626   1.817   3.954
   56    HH2  TRP   7           HH       TRP   7  -9.683   2.286   6.392
   57    H    LYS   8           H        LYS   8  -7.113  -5.124   2.946
   58    HA   LYS   8           HA       LYS   8  -5.902  -6.421   0.755
   59   1HB   LYS   8          2HB       LYS   8  -8.309  -6.460   2.149
   60   2HB   LYS   8          1HB       LYS   8  -8.797  -6.017   0.513
   61   1HG   LYS   8          2HG       LYS   8  -8.811  -8.356   0.407
   62   2HG   LYS   8          1HG       LYS   8  -7.205  -7.968  -0.210
   63   1HD   LYS   8          2HD       LYS   8  -6.425  -9.367   1.388
   64   2HD   LYS   8          1HD       LYS   8  -6.806  -8.077   2.527
   65   1HE   LYS   8          2HE       LYS   8  -8.632  -9.181   3.357
   66   2HE   LYS   8          1HE       LYS   8  -9.098  -9.804   1.762
   67   1HZ   LYS   8          1HZ       LYS   8  -7.001 -10.815   3.588
   68   2HZ   LYS   8          2HZ       LYS   8  -6.966 -11.168   1.926
   69   3HZ   LYS   8          3HZ       LYS   8  -8.281 -11.671   2.876
   70    H    CYS   9           H        CYS   9  -5.569  -5.802  -1.356
   71    HA   CYS   9           HA       CYS   9  -6.982  -3.372  -2.376
   72   1HB   CYS   9          2HB       CYS   9  -4.614  -2.961  -3.436
   73   2HB   CYS   9          1HB       CYS   9  -4.885  -2.532  -1.748
   74    H    LYS  10           H        LYS  10  -6.349  -3.207  -4.883
   75    HA   LYS  10           HA       LYS  10  -6.880  -5.906  -6.043
   76   1HB   LYS  10          2HB       LYS  10  -8.116  -4.765  -7.656
   77   2HB   LYS  10          1HB       LYS  10  -8.322  -3.706  -6.266
   78   1HG   LYS  10          2HG       LYS  10  -7.580  -2.053  -7.621
   79   2HG   LYS  10          1HG       LYS  10  -5.984  -2.761  -7.421
   80   1HD   LYS  10          2HD       LYS  10  -6.308  -4.153  -9.404
   81   2HD   LYS  10          1HD       LYS  10  -7.959  -3.553  -9.580
   82   1HE   LYS  10          2HE       LYS  10  -6.747  -1.184  -9.589
   83   2HE   LYS  10          1HE       LYS  10  -5.370  -2.154 -10.149
   84   1HZ   LYS  10          1HZ       LYS  10  -6.572  -2.975 -11.947
   85   2HZ   LYS  10          2HZ       LYS  10  -7.031  -1.340 -11.899
   86   3HZ   LYS  10          3HZ       LYS  10  -8.070  -2.535 -11.285
   87    H    ASN  11           H        ASN  11  -4.631  -3.245  -6.049
   88    HA   ASN  11           HA       ASN  11  -2.487  -4.766  -7.179
   89   1HB   ASN  11          2HB       ASN  11  -4.296  -4.287  -9.077
   90   2HB   ASN  11          1HB       ASN  11  -3.461  -2.734  -9.149
   91   1HD2  ASN  11          1HD2      ASN  11  -2.593  -3.342 -11.304
   92   2HD2  ASN  11          2HD2      ASN  11  -1.300  -4.437 -11.421
   93    H    SER  12           H        SER  12  -3.915  -1.549  -6.704
   94    HA   SER  12           HA       SER  12  -1.789  -0.498  -5.204
   95   1HB   SER  12          2HB       SER  12  -1.152  -0.888  -7.944
   96   2HB   SER  12          1HB       SER  12  -1.272   0.849  -7.688
   97    HG   SER  12           HG       SER  12   0.215  -0.952  -6.068
   98    H    ASN  13           H        ASN  13  -4.128   0.282  -7.749
   99    HA   ASN  13           HA       ASN  13  -4.461   3.055  -7.198
  100   1HB   ASN  13          2HB       ASN  13  -6.464   0.980  -8.150
  101   2HB   ASN  13          1HB       ASN  13  -6.585   2.722  -8.403
  102   1HD2  ASN  13          1HD2      ASN  13  -6.573   1.953 -10.789
  103   2HD2  ASN  13          2HD2      ASN  13  -5.059   1.759 -11.530
  104    H    ASP  14           H        ASP  14  -5.259   0.343  -5.270
  105    HA   ASP  14           HA       ASP  14  -7.438   1.762  -3.830
  106   1HB   ASP  14          2HB       ASP  14  -6.218  -0.979  -3.389
  107   2HB   ASP  14          1HB       ASP  14  -7.782  -0.408  -2.804
  108    H    CYS  15           H        CYS  15  -4.038   1.167  -3.601
  109    HA   CYS  15           HA       CYS  15  -3.854   1.416  -0.693
  110   1HB   CYS  15          2HB       CYS  15  -1.799   1.570  -2.918
  111   2HB   CYS  15          1HB       CYS  15  -1.453   1.304  -1.208
  112    H    CYS  16           H        CYS  16  -2.470   3.164   0.266
  113    HA   CYS  16           HA       CYS  16  -3.276   5.820  -0.783
  114   1HB   CYS  16          2HB       CYS  16  -2.887   4.591   1.744
  115   2HB   CYS  16          1HB       CYS  16  -1.712   5.894   1.603
  116    H    LYS  17           H        LYS  17  -1.456   7.562  -0.290
  117    HA   LYS  17           HA       LYS  17   0.608   7.327  -2.166
  118   1HB   LYS  17          2HB       LYS  17  -0.272   9.389  -1.072
  119   2HB   LYS  17          1HB       LYS  17   0.555   8.919   0.414
  120   1HG   LYS  17          2HG       LYS  17   2.184  10.275  -0.492
  121   2HG   LYS  17          1HG       LYS  17   2.640   8.748  -1.252
  122   1HD   LYS  17          2HD       LYS  17   2.562  10.238  -3.070
  123   2HD   LYS  17          1HD       LYS  17   0.982   9.455  -3.131
  124   1HE   LYS  17          2HE       LYS  17   0.155  11.411  -1.654
  125   2HE   LYS  17          1HE       LYS  17   1.658  12.225  -2.130
  126   1HZ   LYS  17          1HZ       LYS  17  -0.536  12.280  -3.626
  127   2HZ   LYS  17          2HZ       LYS  17   0.188  10.875  -4.248
  128   3HZ   LYS  17          3HZ       LYS  17   1.026  12.353  -4.282
  129    H    ASP  18           H        ASP  18   2.920   6.962  -1.875
  130    HA   ASP  18           HA       ASP  18   4.747   5.703  -1.047
  131   1HB   ASP  18          2HB       ASP  18   3.353   6.956   1.300
  132   2HB   ASP  18          1HB       ASP  18   4.689   5.845   1.603
  133    H    LEU  19           H        LEU  19   2.059   4.398  -1.502
  134    HA   LEU  19           HA       LEU  19   2.632   1.897   0.005
  135   1HB   LEU  19          2HB       LEU  19   0.935   3.545   1.107
  136   2HB   LEU  19          1HB       LEU  19  -0.160   3.009  -0.167
  137    HG   LEU  19           HG       LEU  19   0.358   0.629   0.536
  138   1HD1  LEU  19          1HD1      LEU  19   1.588   0.179   2.453
  139   2HD1  LEU  19          2HD1      LEU  19   1.279   1.769   3.150
  140   3HD1  LEU  19          3HD1      LEU  19   2.452   1.592   1.846
  141   1HD2  LEU  19          1HD2      LEU  19  -1.019   2.632   2.321
  142   2HD2  LEU  19          2HD2      LEU  19  -0.985   0.923   2.755
  143   3HD2  LEU  19          3HD2      LEU  19  -1.739   1.434   1.245
  144    H    VAL  20           H        VAL  20   2.152   0.063  -1.219
  145    HA   VAL  20           HA       VAL  20   0.470   0.360  -3.661
  146    HB   VAL  20           HB       VAL  20   2.257  -0.545  -5.048
  147   1HG1  VAL  20          1HG1      VAL  20   2.226   1.919  -4.558
  148   2HG1  VAL  20          2HG1      VAL  20   3.828   1.300  -4.961
  149   3HG1  VAL  20          3HG1      VAL  20   3.407   1.631  -3.280
  150   1HG2  VAL  20          1HG2      VAL  20   3.920  -0.588  -2.511
  151   2HG2  VAL  20          2HG2      VAL  20   4.454  -1.076  -4.119
  152   3HG2  VAL  20          3HG2      VAL  20   3.221  -2.014  -3.278
  153    H    CYS  21           H        CYS  21  -0.681  -1.515  -4.079
  154    HA   CYS  21           HA       CYS  21  -1.040  -3.562  -2.192
  155   1HB   CYS  21          2HB       CYS  21  -2.337  -2.849  -4.324
  156   2HB   CYS  21          1HB       CYS  21  -1.261  -3.952  -5.177
  157    H    SER  22           H        SER  22  -0.213  -5.791  -2.090
  158    HA   SER  22           HA       SER  22   2.079  -6.422  -3.870
  159   1HB   SER  22          2HB       SER  22   2.457  -5.183  -1.455
  160   2HB   SER  22          1HB       SER  22   2.604  -6.878  -1.010
  161    HG   SER  22           HG       SER  22   4.476  -5.481  -2.002
  162    H    SER  23           H        SER  23   1.654  -8.444  -4.579
  163    HA   SER  23           HA       SER  23  -0.195 -10.260  -3.427
  164   1HB   SER  23          2HB       SER  23   0.242 -10.828  -5.604
  165   2HB   SER  23          1HB       SER  23   1.879 -10.182  -5.533
  166    HG   SER  23           HG       SER  23   2.045 -12.384  -5.695
  167    H    ARG  24           H        ARG  24   3.118  -9.523  -2.750
  168    HA   ARG  24           HA       ARG  24   3.729 -11.990  -1.296
  169   1HB   ARG  24          2HB       ARG  24   5.260 -10.256  -2.536
  170   2HB   ARG  24          1HB       ARG  24   5.139  -9.335  -1.037
  171   1HG   ARG  24          2HG       ARG  24   5.816 -11.533   0.142
  172   2HG   ARG  24          1HG       ARG  24   6.317 -12.082  -1.458
  173   1HD   ARG  24          2HD       ARG  24   8.183 -10.783  -1.417
  174   2HD   ARG  24          1HD       ARG  24   7.277  -9.374  -0.832
  175    HE   ARG  24           HE       ARG  24   7.627 -10.122   1.427
  176   1HH1  ARG  24          1HH1      ARG  24   8.414 -12.561  -0.854
  177   2HH1  ARG  24          2HH1      ARG  24   9.514 -13.389   0.198
  178   1HH2  ARG  24          1HH2      ARG  24   9.221 -11.068   2.762
  179   2HH2  ARG  24          2HH2      ARG  24   9.970 -12.544   2.249
  180    H    TRP  25           H        TRP  25   2.812  -8.653  -0.540
  181    HA   TRP  25           HA       TRP  25   2.612  -9.312   2.348
  182   1HB   TRP  25          2HB       TRP  25   2.204  -6.740   0.807
  183   2HB   TRP  25          1HB       TRP  25   2.228  -6.897   2.557
  184    HD1  TRP  25           HD       TRP  25   4.489  -6.415  -0.334
  185    HE1  TRP  25           1HE      TRP  25   6.950  -6.588   0.422
  186    HE3  TRP  25           3HE      TRP  25   3.849  -8.321   4.367
  187    HZ2  TRP  25           2HZ      TRP  25   8.433  -7.412   2.672
  188    HZ3  TRP  25           3HZ      TRP  25   5.822  -8.795   5.796
  189    HH2  TRP  25           HH       TRP  25   8.114  -8.342   4.959
  190    H    LYS  26           H        LYS  26   0.703  -9.739  -0.275
  191    HA   LYS  26           HA       LYS  26  -1.622  -9.975  -0.567
  192   1HB   LYS  26          2HB       LYS  26  -2.336 -10.194   2.225
  193   2HB   LYS  26          1HB       LYS  26  -2.279 -11.458   1.008
  194   1HG   LYS  26          2HG       LYS  26  -0.628 -12.340   2.276
  195   2HG   LYS  26          1HG       LYS  26   0.409 -11.098   1.611
  196   1HD   LYS  26          2HD       LYS  26   0.672 -10.271   3.694
  197   2HD   LYS  26          1HD       LYS  26  -1.047  -9.885   3.712
  198   1HE   LYS  26          2HE       LYS  26   0.148 -12.565   4.513
  199   2HE   LYS  26          1HE       LYS  26  -0.491 -11.344   5.630
  200   1HZ   LYS  26          1HZ       LYS  26  -2.272 -12.807   5.201
  201   2HZ   LYS  26          2HZ       LYS  26  -1.960 -12.836   3.531
  202   3HZ   LYS  26          3HZ       LYS  26  -2.584 -11.433   4.258
  203    H    TRP  27           H        TRP  27  -0.521  -7.222   0.059
  204    HA   TRP  27           HA       TRP  27  -2.979  -5.815   0.106
  205   1HB   TRP  27          2HB       TRP  27  -2.830  -4.913   2.476
  206   2HB   TRP  27          1HB       TRP  27  -3.295  -6.604   2.348
  207    HD1  TRP  27           HD       TRP  27   0.211  -4.960   2.299
  208    HE1  TRP  27           1HE      TRP  27   1.654  -6.141   4.083
  209    HE3  TRP  27           3HE      TRP  27  -3.208  -8.158   4.283
  210    HZ2  TRP  27           2HZ      TRP  27   1.418  -8.109   6.063
  211    HZ3  TRP  27           3HZ      TRP  27  -2.570  -9.682   6.130
  212    HH2  TRP  27           HH       TRP  27  -0.256  -9.665   7.026
  213    H    CYS  28           H        CYS  28  -2.584  -3.422   0.879
  214    HA   CYS  28           HA       CYS  28  -0.565  -2.263  -0.735
  215   1HB   CYS  28          2HB       CYS  28  -2.082  -1.247   1.693
  216   2HB   CYS  28          1HB       CYS  28  -1.244  -0.213   0.533
  217    H    VAL  29           H        VAL  29   1.588  -1.849  -0.347
  218    HA   VAL  29           HA       VAL  29   2.595  -2.237   2.450
  219    HB   VAL  29           HB       VAL  29   4.615  -3.201   1.326
  220   1HG1  VAL  29          1HG1      VAL  29   3.133  -5.192   0.274
  221   2HG1  VAL  29          2HG1      VAL  29   1.872  -4.348   1.172
  222   3HG1  VAL  29          3HG1      VAL  29   3.299  -4.955   2.013
  223   1HG2  VAL  29          1HG2      VAL  29   4.751  -3.439  -0.980
  224   2HG2  VAL  29          2HG2      VAL  29   3.860  -1.922  -0.876
  225   3HG2  VAL  29          3HG2      VAL  29   3.002  -3.430  -1.186
  226    H    LEU  30           H        LEU  30   4.428  -0.941   3.025
  227    HA   LEU  30           HA       LEU  30   4.421   1.750   2.182
  228   1HB   LEU  30          2HB       LEU  30   6.688   1.738   3.360
  229   2HB   LEU  30          1HB       LEU  30   5.340   1.096   4.295
  230    HG   LEU  30           HG       LEU  30   6.249  -1.148   2.962
  231   1HD1  LEU  30          1HD1      LEU  30   8.420  -0.944   2.413
  232   2HD1  LEU  30          2HD1      LEU  30   8.810  -0.376   4.038
  233   3HD1  LEU  30          3HD1      LEU  30   8.321   0.775   2.793
  234   1HD2  LEU  30          1HD2      LEU  30   7.190  -1.768   5.174
  235   2HD2  LEU  30          2HD2      LEU  30   5.610  -1.001   5.333
  236   3HD2  LEU  30          3HD2      LEU  30   7.075  -0.083   5.682
  237    H    ALA  31           H        ALA  31   4.424   1.480  -0.218
  238    HA   ALA  31           HA       ALA  31   5.490   1.236  -2.338
  239   1HB   ALA  31          1HB       ALA  31   7.268   2.951  -2.439
  240   2HB   ALA  31          2HB       ALA  31   7.373   2.939  -0.678
  241   3HB   ALA  31          3HB       ALA  31   5.903   3.506  -1.470
  242    H    SER  32           H        SER  32   6.029  -1.181  -1.358
  243    HA   SER  32           HA       SER  32   8.649  -1.913  -0.622
  244   1HB   SER  32          2HB       SER  32   8.004  -4.097  -1.477
  245   2HB   SER  32          1HB       SER  32   6.580  -3.340  -0.768
  246    HG   SER  32           HG       SER  32   5.843  -3.921  -2.702
  247    HA   PRO  33           HA       PRO  33  11.004  -0.900  -4.218
  248   1HB   PRO  33          2HB       PRO  33  13.165  -2.511  -3.738
  249   2HB   PRO  33          1HB       PRO  33  12.868  -1.006  -2.846
  250   1HG   PRO  33          2HG       PRO  33  12.339  -3.823  -2.036
  251   2HG   PRO  33          1HG       PRO  33  12.938  -2.464  -1.071
  252   1HD   PRO  33          2HD       PRO  33  10.359  -3.342  -0.993
  253   2HD   PRO  33          1HD       PRO  33  10.834  -1.661  -0.658
  254    H    PHE  34           H        PHE  34   9.785  -1.840  -5.944
  255    HA   PHE  34           HA       PHE  34  10.814  -4.424  -6.924
  256   1HB   PHE  34          2HB       PHE  34   8.864  -5.646  -6.619
  257   2HB   PHE  34          1HB       PHE  34   8.776  -4.589  -5.214
  258    HD1  PHE  34           1HD      PHE  34   7.092  -2.867  -5.042
  259    HD2  PHE  34           2HD      PHE  34   7.509  -5.159  -8.650
  260    HE1  PHE  34           1HE      PHE  34   4.928  -1.971  -5.862
  261    HE2  PHE  34           2HE      PHE  34   5.347  -4.262  -9.470
  262    HZ   PHE  34           HZ       PHE  34   4.057  -2.669  -8.076
  Start of MODEL    5
    1   1H    GLU   1          1HT       GLU   1 -10.453   4.426  -2.782
    2   2H    GLU   1          2HT       GLU   1  -9.036   3.633  -2.282
    3   3H    GLU   1          3HT       GLU   1  -9.072   4.456  -3.767
    4    HA   GLU   1           HA       GLU   1  -8.688   6.458  -2.830
    5   1HB   GLU   1          2HB       GLU   1  -9.837   6.956  -0.598
    6   2HB   GLU   1          1HB       GLU   1 -10.913   6.564  -1.940
    7   1HG   GLU   1          2HG       GLU   1 -10.121   4.119  -0.671
    8   2HG   GLU   1          1HG       GLU   1 -10.699   5.233   0.570
    9    H    CYS   2           H        CYS   2  -7.868   7.188  -0.340
   10    HA   CYS   2           HA       CYS   2  -5.394   5.707   0.014
   11   1HB   CYS   2          2HB       CYS   2  -6.098   8.228   0.380
   12   2HB   CYS   2          1HB       CYS   2  -6.526   7.662   1.994
   13    H    GLY   3           H        GLY   3  -5.365   3.755   1.071
   14   1HA   GLY   3          2HA       GLY   3  -7.364   3.304   3.239
   15   2HA   GLY   3          1HA       GLY   3  -6.540   2.026   2.345
   16    H    LYS   4           H        LYS   4  -5.291   0.970   3.791
   17    HA   LYS   4           HA       LYS   4  -3.180   2.476   5.219
   18   1HB   LYS   4          2HB       LYS   4  -5.180   2.510   6.686
   19   2HB   LYS   4          1HB       LYS   4  -5.269   0.750   6.594
   20   1HG   LYS   4          2HG       LYS   4  -4.110   1.145   8.615
   21   2HG   LYS   4          1HG       LYS   4  -2.826   0.789   7.459
   22   1HD   LYS   4          2HD       LYS   4  -2.877   3.386   7.045
   23   2HD   LYS   4          1HD       LYS   4  -3.628   3.426   8.640
   24   1HE   LYS   4          2HE       LYS   4  -1.562   1.757   9.174
   25   2HE   LYS   4          1HE       LYS   4  -0.832   2.744   7.892
   26   1HZ   LYS   4          1HZ       LYS   4  -0.700   3.682  10.226
   27   2HZ   LYS   4          2HZ       LYS   4  -2.376   3.936  10.120
   28   3HZ   LYS   4          3HZ       LYS   4  -1.326   4.716   9.037
   29    H    PHE   5           H        PHE   5  -1.413   1.066   5.806
   30    HA   PHE   5           HA       PHE   5  -0.713  -1.057   4.204
   31   1HB   PHE   5          2HB       PHE   5   0.688   0.061   5.922
   32   2HB   PHE   5          1HB       PHE   5  -0.210  -0.779   7.185
   33    HD1  PHE   5           1HD      PHE   5   0.685  -2.751   8.016
   34    HD2  PHE   5           2HD      PHE   5   1.640  -1.582   3.993
   35    HE1  PHE   5           1HE      PHE   5   2.233  -4.678   7.818
   36    HE2  PHE   5           2HE      PHE   5   3.184  -3.522   3.812
   37    HZ   PHE   5           HZ       PHE   5   3.477  -5.058   5.716
   38    H    MET   6           H        MET   6  -1.007  -3.306   4.258
   39    HA   MET   6           HA       MET   6  -1.954  -5.379   4.841
   40   1HB   MET   6          2HB       MET   6  -3.291  -3.883   7.113
   41   2HB   MET   6          1HB       MET   6  -3.085  -5.620   6.967
   42   1HG   MET   6          2HG       MET   6  -0.503  -4.807   6.707
   43   2HG   MET   6          1HG       MET   6  -1.126  -3.567   7.798
   44   1HE   MET   6          1HE       MET   6   0.828  -6.422   9.834
   45   2HE   MET   6          2HE       MET   6   0.950  -4.804   9.150
   46   3HE   MET   6          3HE       MET   6   1.020  -6.210   8.089
   47    H    TRP   7           H        TRP   7  -3.637  -2.532   4.081
   48    HA   TRP   7           HA       TRP   7  -6.347  -3.483   4.055
   49   1HB   TRP   7          2HB       TRP   7  -4.747  -1.279   2.875
   50   2HB   TRP   7          1HB       TRP   7  -6.240  -1.675   2.035
   51    HD1  TRP   7           HD       TRP   7  -5.583  -1.767   5.841
   52    HE1  TRP   7           1HE      TRP   7  -7.325  -0.220   6.971
   53    HE3  TRP   7           3HE      TRP   7  -7.875   0.137   1.719
   54    HZ2  TRP   7           2HZ      TRP   7  -9.391   1.565   6.228
   55    HZ3  TRP   7           3HZ      TRP   7  -9.740   1.767   1.945
   56    HH2  TRP   7           HH       TRP   7 -10.501   2.486   4.198
   57    H    LYS   8           H        LYS   8  -7.286  -4.956   2.716
   58    HA   LYS   8           HA       LYS   8  -5.864  -6.450   0.744
   59   1HB   LYS   8          2HB       LYS   8  -7.980  -7.007   2.073
   60   2HB   LYS   8          1HB       LYS   8  -8.855  -6.010   0.911
   61   1HG   LYS   8          2HG       LYS   8  -8.992  -7.843  -0.395
   62   2HG   LYS   8          1HG       LYS   8  -7.259  -7.668  -0.672
   63   1HD   LYS   8          2HD       LYS   8  -6.799  -9.501   0.557
   64   2HD   LYS   8          1HD       LYS   8  -7.787  -8.919   1.898
   65   1HE   LYS   8          2HE       LYS   8  -9.819  -9.777   0.821
   66   2HE   LYS   8          1HE       LYS   8  -8.870 -10.304  -0.583
   67   1HZ   LYS   8          1HZ       LYS   8  -8.939 -11.398   2.125
   68   2HZ   LYS   8          2HZ       LYS   8  -7.433 -11.384   1.339
   69   3HZ   LYS   8          3HZ       LYS   8  -8.752 -12.199   0.642
   70    H    CYS   9           H        CYS   9  -5.519  -6.020  -1.420
   71    HA   CYS   9           HA       CYS   9  -7.103  -3.855  -2.729
   72   1HB   CYS   9          2HB       CYS   9  -4.726  -3.239  -3.674
   73   2HB   CYS   9          1HB       CYS   9  -5.193  -2.684  -2.069
   74    H    LYS  10           H        LYS  10  -5.857  -3.807  -5.156
   75    HA   LYS  10           HA       LYS  10  -6.106  -6.633  -6.132
   76   1HB   LYS  10          2HB       LYS  10  -7.273  -5.766  -8.002
   77   2HB   LYS  10          1HB       LYS  10  -7.881  -4.811  -6.651
   78   1HG   LYS  10          2HG       LYS  10  -6.332  -2.994  -7.192
   79   2HG   LYS  10          1HG       LYS  10  -5.619  -3.958  -8.486
   80   1HD   LYS  10          2HD       LYS  10  -8.572  -3.333  -8.438
   81   2HD   LYS  10          1HD       LYS  10  -7.408  -2.223  -9.160
   82   1HE   LYS  10          2HE       LYS  10  -7.275  -3.501 -11.025
   83   2HE   LYS  10          1HE       LYS  10  -6.911  -4.944 -10.056
   84   1HZ   LYS  10          1HZ       LYS  10  -9.072  -5.530  -9.937
   85   2HZ   LYS  10          2HZ       LYS  10  -9.209  -4.617 -11.363
   86   3HZ   LYS  10          3HZ       LYS  10  -9.628  -3.930  -9.867
   87    H    ASN  11           H        ASN  11  -4.410  -3.541  -6.530
   88    HA   ASN  11           HA       ASN  11  -1.991  -4.918  -7.435
   89   1HB   ASN  11          2HB       ASN  11  -3.830  -4.620  -9.349
   90   2HB   ASN  11          1HB       ASN  11  -3.126  -3.005  -9.430
   91   1HD2  ASN  11          1HD2      ASN  11  -1.077  -2.789 -10.424
   92   2HD2  ASN  11          2HD2      ASN  11  -0.170  -4.099 -11.008
   93    H    SER  12           H        SER  12  -3.699  -1.791  -7.370
   94    HA   SER  12           HA       SER  12  -1.950  -0.453  -5.636
   95   1HB   SER  12          2HB       SER  12  -0.119  -0.768  -7.070
   96   2HB   SER  12          1HB       SER  12  -1.106  -0.591  -8.518
   97    HG   SER  12           HG       SER  12  -0.612   1.495  -6.655
   98    H    ASN  13           H        ASN  13  -4.755  -0.468  -6.636
   99    HA   ASN  13           HA       ASN  13  -4.994   2.397  -7.488
  100   1HB   ASN  13          2HB       ASN  13  -6.588  -0.112  -7.999
  101   2HB   ASN  13          1HB       ASN  13  -7.306   1.481  -8.246
  102   1HD2  ASN  13          1HD2      ASN  13  -7.355   1.336 -10.582
  103   2HD2  ASN  13          2HD2      ASN  13  -5.937   1.326 -11.514
  104    H    ASP  14           H        ASP  14  -5.141   0.569  -4.782
  105    HA   ASP  14           HA       ASP  14  -7.283   2.288  -3.586
  106   1HB   ASP  14          2HB       ASP  14  -7.273  -0.528  -4.052
  107   2HB   ASP  14          1HB       ASP  14  -7.153  -0.278  -2.310
  108    H    CYS  15           H        CYS  15  -4.064   1.391  -3.533
  109    HA   CYS  15           HA       CYS  15  -3.654   1.277  -0.640
  110   1HB   CYS  15          2HB       CYS  15  -1.823   1.584  -3.038
  111   2HB   CYS  15          1HB       CYS  15  -1.268   1.279  -1.392
  112    H    CYS  16           H        CYS  16  -2.862   2.951   0.664
  113    HA   CYS  16           HA       CYS  16  -3.510   5.656   0.050
  114   1HB   CYS  16          2HB       CYS  16  -2.285   4.067   2.164
  115   2HB   CYS  16          1HB       CYS  16  -1.555   5.665   2.030
  116    H    LYS  17           H        LYS  17  -1.814   7.459   0.089
  117    HA   LYS  17           HA       LYS  17  -0.122   7.378  -2.136
  118   1HB   LYS  17          2HB       LYS  17  -0.977   9.350  -0.791
  119   2HB   LYS  17          1HB       LYS  17   0.290   9.004   0.385
  120   1HG   LYS  17          2HG       LYS  17   1.931   9.116  -1.586
  121   2HG   LYS  17          1HG       LYS  17   0.607   9.841  -2.500
  122   1HD   LYS  17          2HD       LYS  17   0.868  11.085   0.112
  123   2HD   LYS  17          1HD       LYS  17   2.383  11.178  -0.787
  124   1HE   LYS  17          2HE       LYS  17   1.411  13.005  -1.772
  125   2HE   LYS  17          1HE       LYS  17   0.536  11.800  -2.738
  126   1HZ   LYS  17          1HZ       LYS  17  -1.035  11.690  -0.749
  127   2HZ   LYS  17          2HZ       LYS  17  -1.147  13.058  -1.751
  128   3HZ   LYS  17          3HZ       LYS  17  -0.338  13.157  -0.260
  129    H    ASP  18           H        ASP  18   2.152   7.073  -2.357
  130    HA   ASP  18           HA       ASP  18   4.234   6.061  -1.918
  131   1HB   ASP  18          2HB       ASP  18   3.267   7.085   0.747
  132   2HB   ASP  18          1HB       ASP  18   4.789   6.200   0.637
  133    H    LEU  19           H        LEU  19   1.475   4.588  -1.555
  134    HA   LEU  19           HA       LEU  19   2.661   2.163  -0.259
  135   1HB   LEU  19          2HB       LEU  19   0.826   3.533   0.969
  136   2HB   LEU  19          1HB       LEU  19  -0.273   2.878  -0.245
  137    HG   LEU  19           HG       LEU  19   0.440   0.578   0.386
  138   1HD1  LEU  19          1HD1      LEU  19   1.950   2.026   2.587
  139   2HD1  LEU  19          2HD1      LEU  19   2.682   1.166   1.238
  140   3HD1  LEU  19          3HD1      LEU  19   1.764   0.278   2.449
  141   1HD2  LEU  19          1HD2      LEU  19  -0.722   0.530   2.555
  142   2HD2  LEU  19          2HD2      LEU  19  -1.540   1.633   1.449
  143   3HD2  LEU  19          3HD2      LEU  19  -0.502   2.272   2.723
  144    H    VAL  20           H        VAL  20   2.449   0.277  -1.444
  145    HA   VAL  20           HA       VAL  20   0.710   0.365  -3.885
  146    HB   VAL  20           HB       VAL  20   2.657  -0.945  -4.932
  147   1HG1  VAL  20          1HG1      VAL  20   3.206   1.032  -5.871
  148   2HG1  VAL  20          2HG1      VAL  20   3.883   1.632  -4.358
  149   3HG1  VAL  20          3HG1      VAL  20   2.158   1.801  -4.679
  150   1HG2  VAL  20          1HG2      VAL  20   4.798  -0.829  -3.870
  151   2HG2  VAL  20          2HG2      VAL  20   3.676  -1.386  -2.628
  152   3HG2  VAL  20          3HG2      VAL  20   4.207   0.296  -2.646
  153    H    CYS  21           H        CYS  21  -0.350  -1.577  -4.333
  154    HA   CYS  21           HA       CYS  21  -0.677  -3.504  -2.217
  155   1HB   CYS  21          2HB       CYS  21  -2.294  -2.771  -4.034
  156   2HB   CYS  21          1HB       CYS  21  -1.363  -3.762  -5.154
  157    H    SER  22           H        SER  22   0.036  -5.712  -2.153
  158    HA   SER  22           HA       SER  22   1.975  -6.597  -4.227
  159   1HB   SER  22          2HB       SER  22   2.958  -5.260  -2.164
  160   2HB   SER  22          1HB       SER  22   2.750  -6.801  -1.336
  161    HG   SER  22           HG       SER  22   3.830  -7.551  -3.473
  162    H    SER  23           H        SER  23   1.419  -8.662  -4.711
  163    HA   SER  23           HA       SER  23  -0.445 -10.211  -3.209
  164   1HB   SER  23          2HB       SER  23  -0.224 -11.682  -5.005
  165   2HB   SER  23          1HB       SER  23   0.361 -10.185  -5.726
  166    HG   SER  23           HG       SER  23   1.655 -12.388  -5.633
  167    H    ARG  24           H        ARG  24   2.986  -9.797  -2.968
  168    HA   ARG  24           HA       ARG  24   3.534 -12.349  -1.644
  169   1HB   ARG  24          2HB       ARG  24   5.066 -10.693  -3.003
  170   2HB   ARG  24          1HB       ARG  24   5.216  -9.857  -1.458
  171   1HG   ARG  24          2HG       ARG  24   5.923 -12.022  -0.412
  172   2HG   ARG  24          1HG       ARG  24   5.913 -12.753  -2.017
  173   1HD   ARG  24          2HD       ARG  24   8.083 -12.066  -2.152
  174   2HD   ARG  24          1HD       ARG  24   7.417 -10.436  -2.381
  175    HE   ARG  24           HE       ARG  24   7.614 -10.084   0.048
  176   1HH1  ARG  24          1HH2      ARG  24  10.229 -11.368  -1.257
  177   2HH1  ARG  24          2HH2      ARG  24  10.746 -12.324   0.091
  178   1HH2  ARG  24          1HH1      ARG  24   7.750 -12.004   1.807
  179   2HH2  ARG  24          2HH1      ARG  24   9.342 -12.686   1.826
  180    H    TRP  25           H        TRP  25   3.082  -8.968  -0.672
  181    HA   TRP  25           HA       TRP  25   3.228  -9.641   2.195
  182   1HB   TRP  25          2HB       TRP  25   2.549  -7.105   0.669
  183   2HB   TRP  25          1HB       TRP  25   2.834  -7.194   2.407
  184    HD1  TRP  25           HD       TRP  25   4.620  -7.135  -0.917
  185    HE1  TRP  25           1HE      TRP  25   7.166  -7.075  -0.518
  186    HE3  TRP  25           3HE      TRP  25   4.762  -8.002   4.116
  187    HZ2  TRP  25           2HZ      TRP  25   8.995  -7.351   1.603
  188    HZ3  TRP  25           3HZ      TRP  25   6.937  -8.097   5.303
  189    HH2  TRP  25           HH       TRP  25   9.059  -7.773   4.056
  190    H    LYS  26           H        LYS  26   0.885  -9.526  -0.302
  191    HA   LYS  26           HA       LYS  26  -1.403 -10.060  -0.265
  192   1HB   LYS  26          2HB       LYS  26  -1.959 -11.440   1.464
  193   2HB   LYS  26          1HB       LYS  26  -0.279 -11.236   1.943
  194   1HG   LYS  26          2HG       LYS  26  -1.428  -9.029   3.084
  195   2HG   LYS  26          1HG       LYS  26  -2.740 -10.192   3.204
  196   1HD   LYS  26          2HD       LYS  26   0.031 -10.331   4.383
  197   2HD   LYS  26          1HD       LYS  26  -1.524 -10.508   5.194
  198   1HE   LYS  26          2HE       LYS  26  -1.462 -12.541   3.223
  199   2HE   LYS  26          1HE       LYS  26   0.122 -12.573   4.024
  200   1HZ   LYS  26          1HZ       LYS  26  -1.333 -12.191   6.138
  201   2HZ   LYS  26          2HZ       LYS  26  -1.131 -13.760   5.516
  202   3HZ   LYS  26          3HZ       LYS  26  -2.555 -12.892   5.194
  203    H    TRP  27           H        TRP  27  -0.341  -7.214   0.148
  204    HA   TRP  27           HA       TRP  27  -2.855  -5.920   0.484
  205   1HB   TRP  27          2HB       TRP  27  -2.459  -4.968   2.778
  206   2HB   TRP  27          1HB       TRP  27  -2.723  -6.704   2.782
  207    HD1  TRP  27           HD       TRP  27   0.510  -4.697   2.110
  208    HE1  TRP  27           1HE      TRP  27   2.348  -5.554   3.687
  209    HE3  TRP  27           3HE      TRP  27  -2.167  -8.069   4.844
  210    HZ2  TRP  27           2HZ      TRP  27   2.652  -7.372   5.816
  211    HZ3  TRP  27           3HZ      TRP  27  -1.069  -9.339   6.669
  212    HH2  TRP  27           HH       TRP  27   1.337  -8.997   7.161
  213    H    CYS  28           H        CYS  28  -2.460  -3.459   1.110
  214    HA   CYS  28           HA       CYS  28  -0.573  -2.348  -0.754
  215   1HB   CYS  28          2HB       CYS  28  -2.142  -1.250   1.600
  216   2HB   CYS  28          1HB       CYS  28  -1.256  -0.222   0.472
  217    H    VAL  29           H        VAL  29   1.607  -2.744  -0.376
  218    HA   VAL  29           HA       VAL  29   2.654  -2.711   2.376
  219    HB   VAL  29           HB       VAL  29   4.739  -3.429   1.161
  220   1HG1  VAL  29          1HG1      VAL  29   3.566  -5.283   1.886
  221   2HG1  VAL  29          2HG1      VAL  29   3.437  -5.533   0.145
  222   3HG1  VAL  29          3HG1      VAL  29   2.094  -4.814   1.034
  223   1HG2  VAL  29          1HG2      VAL  29   2.977  -3.635  -1.274
  224   2HG2  VAL  29          2HG2      VAL  29   4.737  -3.698  -1.176
  225   3HG2  VAL  29          3HG2      VAL  29   3.895  -2.164  -0.956
  226    H    LEU  30           H        LEU  30   4.069  -1.232   3.196
  227    HA   LEU  30           HA       LEU  30   4.112   1.454   2.306
  228   1HB   LEU  30          2HB       LEU  30   6.113   1.517   3.908
  229   2HB   LEU  30          1HB       LEU  30   4.605   0.887   4.571
  230    HG   LEU  30           HG       LEU  30   5.942  -1.316   3.382
  231   1HD1  LEU  30          1HD1      LEU  30   8.090  -1.317   4.537
  232   2HD1  LEU  30          2HD1      LEU  30   7.741   0.258   5.251
  233   3HD1  LEU  30          3HD1      LEU  30   7.992   0.115   3.511
  234   1HD2  LEU  30          1HD2      LEU  30   4.906  -2.060   5.245
  235   2HD2  LEU  30          2HD2      LEU  30   4.877  -0.445   5.953
  236   3HD2  LEU  30          3HD2      LEU  30   6.300  -1.469   6.149
  237    H    ALA  31           H        ALA  31   5.138   2.314   0.548
  238    HA   ALA  31           HA       ALA  31   7.231   0.785  -0.845
  239   1HB   ALA  31          1HB       ALA  31   5.224   2.277  -1.725
  240   2HB   ALA  31          2HB       ALA  31   6.751   2.244  -2.607
  241   3HB   ALA  31          3HB       ALA  31   6.387   3.586  -1.522
  242    H    SER  32           H        SER  32   8.072   1.508   1.718
  243    HA   SER  32           HA       SER  32   9.960   3.794   1.250
  244   1HB   SER  32          2HB       SER  32   8.181   3.076   3.344
  245   2HB   SER  32          1HB       SER  32   9.811   2.865   3.975
  246    HG   SER  32           HG       SER  32   9.220   5.153   2.472
  247    HA   PRO  33           HA       PRO  33  12.851   0.327   1.183
  248   1HB   PRO  33          2HB       PRO  33  14.855   1.710  -0.062
  249   2HB   PRO  33          1HB       PRO  33  13.490   0.990  -0.938
  250   1HG   PRO  33          2HG       PRO  33  13.982   3.816  -0.198
  251   2HG   PRO  33          1HG       PRO  33  13.177   3.142  -1.622
  252   1HD   PRO  33          2HD       PRO  33  11.883   4.240   0.564
  253   2HD   PRO  33          1HD       PRO  33  11.145   3.129  -0.610
  254    H    PHE  34           H        PHE  34  12.991   0.604   3.583
  255    HA   PHE  34           HA       PHE  34  15.027   2.546   4.544
  256   1HB   PHE  34          2HB       PHE  34  12.603   1.488   5.495
  257   2HB   PHE  34          1HB       PHE  34  13.848   0.781   6.524
  258    HD1  PHE  34           1HD      PHE  34  14.439   1.996   8.418
  259    HD2  PHE  34           2HD      PHE  34  13.096   4.093   4.918
  260    HE1  PHE  34           1HE      PHE  34  14.667   4.153   9.624
  261    HE2  PHE  34           2HE      PHE  34  13.324   6.249   6.122
  262    HZ   PHE  34           HZ       PHE  34  14.108   6.279   8.475
  Start of MODEL    6
    1   1H    GLU   1          1HT       GLU   1 -11.532   5.175  -0.866
    2   2H    GLU   1          2HT       GLU   1 -11.643   6.342  -2.096
    3   3H    GLU   1          3HT       GLU   1 -12.235   6.685  -0.540
    4    HA   GLU   1           HA       GLU   1  -9.883   7.562  -1.317
    5   1HB   GLU   1          2HB       GLU   1  -9.339   7.329   1.203
    6   2HB   GLU   1          1HB       GLU   1 -10.850   8.134   0.779
    7   1HG   GLU   1          2HG       GLU   1 -11.175   5.243   0.973
    8   2HG   GLU   1          1HG       GLU   1 -10.581   5.943   2.479
    9    H    CYS   2           H        CYS   2  -7.717   6.804   0.038
   10    HA   CYS   2           HA       CYS   2  -6.806   4.384  -1.309
   11   1HB   CYS   2          2HB       CYS   2  -4.700   5.055  -0.499
   12   2HB   CYS   2          1HB       CYS   2  -5.564   6.581  -0.651
   13    H    GLY   3           H        GLY   3  -5.183   3.321   0.767
   14   1HA   GLY   3          2HA       GLY   3  -7.121   2.420   2.818
   15   2HA   GLY   3          1HA       GLY   3  -6.379   1.186   1.801
   16    H    LYS   4           H        LYS   4  -6.113   1.500   4.690
   17    HA   LYS   4           HA       LYS   4  -3.446   2.575   5.225
   18   1HB   LYS   4          2HB       LYS   4  -5.770   1.909   6.634
   19   2HB   LYS   4          1HB       LYS   4  -4.576   0.732   7.183
   20   1HG   LYS   4          2HG       LYS   4  -3.615   3.528   6.967
   21   2HG   LYS   4          1HG       LYS   4  -4.802   3.223   8.236
   22   1HD   LYS   4          2HD       LYS   4  -2.648   1.205   8.000
   23   2HD   LYS   4          1HD       LYS   4  -2.135   2.801   8.549
   24   1HE   LYS   4          2HE       LYS   4  -4.614   1.905   9.847
   25   2HE   LYS   4          1HE       LYS   4  -3.228   0.847  10.182
   26   1HZ   LYS   4          1HZ       LYS   4  -2.806   2.473  11.695
   27   2HZ   LYS   4          2HZ       LYS   4  -3.592   3.684  10.799
   28   3HZ   LYS   4          3HZ       LYS   4  -2.030   3.178  10.362
   29    H    PHE   5           H        PHE   5  -1.735   1.093   6.170
   30    HA   PHE   5           HA       PHE   5  -0.875  -0.882   4.424
   31   1HB   PHE   5          2HB       PHE   5   0.393   0.219   6.280
   32   2HB   PHE   5          1HB       PHE   5  -0.468  -0.808   7.425
   33    HD1  PHE   5           1HD      PHE   5   0.533  -1.984   4.059
   34    HD2  PHE   5           2HD      PHE   5   1.508  -1.960   8.239
   35    HE1  PHE   5           1HE      PHE   5   2.186  -3.786   3.685
   36    HE2  PHE   5           2HE      PHE   5   3.161  -3.766   7.864
   37    HZ   PHE   5           HZ       PHE   5   3.502  -4.678   5.583
   38    H    MET   6           H        MET   6  -1.016  -3.138   4.371
   39    HA   MET   6           HA       MET   6  -1.828  -5.286   4.823
   40   1HB   MET   6          2HB       MET   6  -3.289  -4.054   7.167
   41   2HB   MET   6          1HB       MET   6  -2.772  -5.724   6.974
   42   1HG   MET   6          2HG       MET   6  -0.515  -3.928   6.683
   43   2HG   MET   6          1HG       MET   6  -1.329  -3.667   8.224
   44   1HE   MET   6          1HE       MET   6   0.833  -4.057   8.955
   45   2HE   MET   6          2HE       MET   6   1.878  -5.279   8.235
   46   3HE   MET   6          3HE       MET   6   1.163  -5.564   9.819
   47    H    TRP   7           H        TRP   7  -3.671  -2.596   4.061
   48    HA   TRP   7           HA       TRP   7  -6.331  -3.737   4.101
   49   1HB   TRP   7          2HB       TRP   7  -4.910  -1.388   2.932
   50   2HB   TRP   7          1HB       TRP   7  -6.458  -1.826   2.213
   51    HD1  TRP   7           HD       TRP   7  -5.625  -2.262   5.931
   52    HE1  TRP   7           1HE      TRP   7  -7.233  -0.767   7.300
   53    HE3  TRP   7           3HE      TRP   7  -7.975   0.229   2.148
   54    HZ2  TRP   7           2HZ      TRP   7  -9.214   1.196   6.859
   55    HZ3  TRP   7           3HZ      TRP   7  -9.727   1.921   2.651
   56    HH2  TRP   7           HH       TRP   7 -10.351   2.404   5.004
   57    H    LYS   8           H        LYS   8  -7.241  -5.149   2.644
   58    HA   LYS   8           HA       LYS   8  -5.630  -6.384   0.584
   59   1HB   LYS   8          2HB       LYS   8  -7.704  -7.635   0.163
   60   2HB   LYS   8          1HB       LYS   8  -7.415  -7.502   1.896
   61   1HG   LYS   8          2HG       LYS   8  -9.407  -6.498   2.160
   62   2HG   LYS   8          1HG       LYS   8  -8.906  -5.206   1.068
   63   1HD   LYS   8          2HD       LYS   8 -10.995  -6.483   0.364
   64   2HD   LYS   8          1HD       LYS   8  -9.719  -6.389  -0.849
   65   1HE   LYS   8          2HE       LYS   8  -9.111  -8.638  -0.576
   66   2HE   LYS   8          1HE       LYS   8  -9.804  -8.727   1.054
   67   1HZ   LYS   8          1HZ       LYS   8 -11.728  -7.933  -0.912
   68   2HZ   LYS   8          2HZ       LYS   8 -11.814  -9.178   0.242
   69   3HZ   LYS   8          3HZ       LYS   8 -11.067  -9.456  -1.259
   70    H    CYS   9           H        CYS   9  -5.472  -5.836  -1.545
   71    HA   CYS   9           HA       CYS   9  -7.432  -3.902  -2.701
   72   1HB   CYS   9          2HB       CYS   9  -5.136  -3.063  -3.808
   73   2HB   CYS   9          1HB       CYS   9  -5.698  -2.442  -2.260
   74    H    LYS  10           H        LYS  10  -6.253  -3.661  -5.188
   75    HA   LYS  10           HA       LYS  10  -6.471  -6.453  -6.245
   76   1HB   LYS  10          2HB       LYS  10  -7.422  -5.429  -8.197
   77   2HB   LYS  10          1HB       LYS  10  -8.168  -4.636  -6.808
   78   1HG   LYS  10          2HG       LYS  10  -6.386  -2.847  -6.995
   79   2HG   LYS  10          1HG       LYS  10  -5.898  -3.589  -8.520
   80   1HD   LYS  10          2HD       LYS  10  -7.418  -1.876  -9.144
   81   2HD   LYS  10          1HD       LYS  10  -8.362  -3.363  -9.223
   82   1HE   LYS  10          2HE       LYS  10  -8.692  -2.602  -6.583
   83   2HE   LYS  10          1HE       LYS  10  -8.698  -1.049  -7.444
   84   1HZ   LYS  10          1HZ       LYS  10 -10.898  -1.911  -7.550
   85   2HZ   LYS  10          2HZ       LYS  10 -10.351  -3.444  -8.035
   86   3HZ   LYS  10          3HZ       LYS  10 -10.217  -2.117  -9.089
   87    H    ASN  11           H        ASN  11  -4.615  -3.433  -6.521
   88    HA   ASN  11           HA       ASN  11  -2.212  -4.891  -7.299
   89   1HB   ASN  11          2HB       ASN  11  -4.115  -4.211  -9.271
   90   2HB   ASN  11          1HB       ASN  11  -2.779  -3.077  -9.474
   91   1HD2  ASN  11          1HD2      ASN  11  -2.512  -4.445 -11.571
   92   2HD2  ASN  11          2HD2      ASN  11  -1.552  -5.841 -11.458
   93    H    SER  12           H        SER  12  -3.868  -1.747  -7.318
   94    HA   SER  12           HA       SER  12  -2.052  -0.427  -5.624
   95   1HB   SER  12          2HB       SER  12  -1.143  -0.902  -8.344
   96   2HB   SER  12          1HB       SER  12  -1.162   0.820  -7.971
   97    HG   SER  12           HG       SER  12   0.286  -1.273  -6.792
   98    H    ASN  13           H        ASN  13  -4.901  -0.467  -6.487
   99    HA   ASN  13           HA       ASN  13  -5.227   2.405  -7.287
  100   1HB   ASN  13          2HB       ASN  13  -6.107   0.603  -8.802
  101   2HB   ASN  13          1HB       ASN  13  -7.168   0.079  -7.493
  102   1HD2  ASN  13          1HD2      ASN  13  -6.601   2.640  -9.864
  103   2HD2  ASN  13          2HD2      ASN  13  -8.075   3.444  -9.614
  104    H    ASP  14           H        ASP  14  -5.124   0.599  -4.581
  105    HA   ASP  14           HA       ASP  14  -7.294   2.184  -3.248
  106   1HB   ASP  14          2HB       ASP  14  -6.451  -0.696  -2.779
  107   2HB   ASP  14          1HB       ASP  14  -7.703   0.157  -1.877
  108    H    CYS  15           H        CYS  15  -3.984   1.365  -3.353
  109    HA   CYS  15           HA       CYS  15  -3.411   1.595  -0.502
  110   1HB   CYS  15          2HB       CYS  15  -1.583   1.862  -2.905
  111   2HB   CYS  15          1HB       CYS  15  -1.132   1.369  -1.273
  112    H    CYS  16           H        CYS  16  -2.212   3.373   0.453
  113    HA   CYS  16           HA       CYS  16  -2.975   6.020  -0.625
  114   1HB   CYS  16          2HB       CYS  16  -2.482   4.825   1.906
  115   2HB   CYS  16          1HB       CYS  16  -1.303   6.116   1.685
  116    H    LYS  17           H        LYS  17  -1.180   7.766  -0.475
  117    HA   LYS  17           HA       LYS  17   0.838   7.346  -2.346
  118   1HB   LYS  17          2HB       LYS  17   0.015   9.504  -1.320
  119   2HB   LYS  17          1HB       LYS  17   0.998   9.132   0.099
  120   1HG   LYS  17          2HG       LYS  17   2.949   8.864  -1.599
  121   2HG   LYS  17          1HG       LYS  17   1.905   9.755  -2.707
  122   1HD   LYS  17          2HD       LYS  17   1.941  11.690  -1.396
  123   2HD   LYS  17          1HD       LYS  17   2.378  10.810   0.069
  124   1HE   LYS  17          2HE       LYS  17   4.630  10.375  -0.841
  125   2HE   LYS  17          1HE       LYS  17   4.198  11.240  -2.329
  126   1HZ   LYS  17          1HZ       LYS  17   3.752  13.213  -1.070
  127   2HZ   LYS  17          2HZ       LYS  17   5.312  12.673  -0.668
  128   3HZ   LYS  17          3HZ       LYS  17   4.017  12.405   0.398
  129    H    ASP  18           H        ASP  18   3.117   6.854  -2.124
  130    HA   ASP  18           HA       ASP  18   4.939   5.642  -1.230
  131   1HB   ASP  18          2HB       ASP  18   3.613   7.057   1.059
  132   2HB   ASP  18          1HB       ASP  18   4.897   5.903   1.421
  133    H    LEU  19           H        LEU  19   1.998   4.537  -1.349
  134    HA   LEU  19           HA       LEU  19   2.607   2.017   0.142
  135   1HB   LEU  19          2HB       LEU  19   0.901   3.803   1.137
  136   2HB   LEU  19          1HB       LEU  19  -0.193   3.085  -0.047
  137    HG   LEU  19           HG       LEU  19   0.303   0.835   0.889
  138   1HD1  LEU  19          1HD1      LEU  19   2.203   2.478   2.485
  139   2HD1  LEU  19          2HD1      LEU  19   2.339   0.811   1.943
  140   3HD1  LEU  19          3HD1      LEU  19   1.363   1.195   3.354
  141   1HD2  LEU  19          1HD2      LEU  19  -0.555   1.690   3.370
  142   2HD2  LEU  19          2HD2      LEU  19  -1.603   1.416   1.979
  143   3HD2  LEU  19          3HD2      LEU  19  -1.011   3.040   2.329
  144    H    VAL  20           H        VAL  20   2.090   0.172  -1.064
  145    HA   VAL  20           HA       VAL  20   0.414   0.502  -3.510
  146    HB   VAL  20           HB       VAL  20   2.286  -0.754  -4.728
  147   1HG1  VAL  20          1HG1      VAL  20   1.774   1.894  -4.477
  148   2HG1  VAL  20          2HG1      VAL  20   3.079   1.259  -5.480
  149   3HG1  VAL  20          3HG1      VAL  20   3.422   1.846  -3.853
  150   1HG2  VAL  20          1HG2      VAL  20   3.583  -1.574  -2.893
  151   2HG2  VAL  20          2HG2      VAL  20   3.689   0.026  -2.161
  152   3HG2  VAL  20          3HG2      VAL  20   4.563  -0.320  -3.652
  153    H    CYS  21           H        CYS  21  -0.543  -1.463  -4.199
  154    HA   CYS  21           HA       CYS  21  -0.960  -3.479  -2.185
  155   1HB   CYS  21          2HB       CYS  21  -2.393  -2.636  -4.198
  156   2HB   CYS  21          1HB       CYS  21  -1.486  -3.825  -5.128
  157    H    SER  22           H        SER  22  -0.096  -5.578  -2.043
  158    HA   SER  22           HA       SER  22   1.965  -6.372  -4.052
  159   1HB   SER  22          2HB       SER  22   2.271  -6.053  -1.061
  160   2HB   SER  22          1HB       SER  22   3.406  -6.984  -2.035
  161    HG   SER  22           HG       SER  22   4.096  -5.189  -2.975
  162    H    SER  23           H        SER  23   1.562  -8.452  -4.640
  163    HA   SER  23           HA       SER  23  -0.383 -10.101  -3.341
  164   1HB   SER  23          2HB       SER  23   0.013 -11.507  -5.173
  165   2HB   SER  23          1HB       SER  23   0.526  -9.944  -5.800
  166    HG   SER  23           HG       SER  23   2.211 -11.256  -6.210
  167    H    ARG  24           H        ARG  24   3.062  -9.698  -2.985
  168    HA   ARG  24           HA       ARG  24   3.542 -12.269  -1.673
  169   1HB   ARG  24          2HB       ARG  24   5.061 -10.453  -2.973
  170   2HB   ARG  24          1HB       ARG  24   5.336  -9.917  -1.315
  171   1HG   ARG  24          2HG       ARG  24   6.070 -12.152  -0.670
  172   2HG   ARG  24          1HG       ARG  24   5.699 -12.766  -2.283
  173   1HD   ARG  24          2HD       ARG  24   8.022 -12.357  -2.411
  174   2HD   ARG  24          1HD       ARG  24   7.338 -10.863  -3.083
  175    HE   ARG  24           HE       ARG  24   7.676  -9.794  -0.895
  176   1HH1  ARG  24          1HH1      ARG  24   8.069 -13.035  -0.273
  177   2HH1  ARG  24          2HH1      ARG  24   9.560 -12.886   0.595
  178   1HH2  ARG  24          1HH2      ARG  24  10.003  -9.544  -0.218
  179   2HH2  ARG  24          2HH2      ARG  24  10.656 -10.908   0.626
  180    H    TRP  25           H        TRP  25   3.166  -8.891  -0.656
  181    HA   TRP  25           HA       TRP  25   3.311  -9.592   2.199
  182   1HB   TRP  25          2HB       TRP  25   2.667  -7.048   0.683
  183   2HB   TRP  25          1HB       TRP  25   2.977  -7.135   2.418
  184    HD1  TRP  25           HD       TRP  25   4.710  -6.599  -0.770
  185    HE1  TRP  25           1HE      TRP  25   7.261  -6.810  -0.487
  186    HE3  TRP  25           3HE      TRP  25   4.925  -8.744   3.864
  187    HZ2  TRP  25           2HZ      TRP  25   9.123  -7.742   1.406
  188    HZ3  TRP  25           3HZ      TRP  25   7.122  -9.286   4.883
  189    HH2  TRP  25           HH       TRP  25   9.225  -8.790   3.661
  190    H    LYS  26           H        LYS  26   0.935  -9.452  -0.259
  191    HA   LYS  26           HA       LYS  26  -1.360  -9.960  -0.177
  192   1HB   LYS  26          2HB       LYS  26  -1.860 -11.344   1.559
  193   2HB   LYS  26          1HB       LYS  26  -0.183 -11.099   2.029
  194   1HG   LYS  26          2HG       LYS  26  -1.365  -8.907   3.162
  195   2HG   LYS  26          1HG       LYS  26  -2.659 -10.091   3.287
  196   1HD   LYS  26          2HD       LYS  26   0.125 -10.205   4.445
  197   2HD   LYS  26          1HD       LYS  26  -1.420 -10.350   5.281
  198   1HE   LYS  26          2HE       LYS  26  -1.836 -12.524   4.184
  199   2HE   LYS  26          1HE       LYS  26  -0.293 -12.388   3.322
  200   1HZ   LYS  26          1HZ       LYS  26  -0.783 -12.759   6.194
  201   2HZ   LYS  26          2HZ       LYS  26   0.602 -11.906   5.705
  202   3HZ   LYS  26          3HZ       LYS  26   0.364 -13.510   5.196
  203    H    TRP  27           H        TRP  27  -0.261  -7.112   0.212
  204    HA   TRP  27           HA       TRP  27  -2.773  -5.823   0.587
  205   1HB   TRP  27          2HB       TRP  27  -2.277  -4.831   2.865
  206   2HB   TRP  27          1HB       TRP  27  -2.602  -6.559   2.878
  207    HD1  TRP  27           HD       TRP  27   0.677  -4.714   2.059
  208    HE1  TRP  27           1HE      TRP  27   2.544  -5.630   3.576
  209    HE3  TRP  27           3HE      TRP  27  -2.042  -7.881   4.977
  210    HZ2  TRP  27           2HZ      TRP  27   2.843  -7.417   5.735
  211    HZ3  TRP  27           3HZ      TRP  27  -0.936  -9.168   6.785
  212    HH2  TRP  27           HH       TRP  27   1.503  -8.942   7.170
  213    H    CYS  28           H        CYS  28  -2.436  -3.360   1.078
  214    HA   CYS  28           HA       CYS  28  -0.602  -2.258  -0.838
  215   1HB   CYS  28          2HB       CYS  28  -2.252  -1.171   1.456
  216   2HB   CYS  28          1HB       CYS  28  -1.312  -0.106   0.405
  217    H    VAL  29           H        VAL  29   1.543  -3.006  -0.283
  218    HA   VAL  29           HA       VAL  29   2.649  -2.557   2.383
  219    HB   VAL  29           HB       VAL  29   4.692  -3.406   1.324
  220   1HG1  VAL  29          1HG1      VAL  29   3.356  -5.205   1.919
  221   2HG1  VAL  29          2HG1      VAL  29   3.507  -5.475   0.184
  222   3HG1  VAL  29          3HG1      VAL  29   2.051  -4.727   0.833
  223   1HG2  VAL  29          1HG2      VAL  29   3.097  -3.218  -1.253
  224   2HG2  VAL  29          2HG2      VAL  29   4.708  -3.912  -1.088
  225   3HG2  VAL  29          3HG2      VAL  29   4.460  -2.187  -0.819
  226    H    LEU  30           H        LEU  30   4.169  -1.017   2.982
  227    HA   LEU  30           HA       LEU  30   4.010   1.591   1.875
  228   1HB   LEU  30          2HB       LEU  30   6.052   1.936   3.339
  229   2HB   LEU  30          1HB       LEU  30   4.689   1.176   4.160
  230    HG   LEU  30           HG       LEU  30   5.979  -1.020   3.172
  231   1HD1  LEU  30          1HD1      LEU  30   8.147  -0.627   2.719
  232   2HD1  LEU  30          2HD1      LEU  30   8.363   0.176   4.274
  233   3HD1  LEU  30          3HD1      LEU  30   7.823   1.100   2.873
  234   1HD2  LEU  30          1HD2      LEU  30   6.656  -1.416   5.441
  235   2HD2  LEU  30          2HD2      LEU  30   5.171  -0.467   5.526
  236   3HD2  LEU  30          3HD2      LEU  30   6.732   0.313   5.786
  237    H    ALA  31           H        ALA  31   4.926   2.383   0.019
  238    HA   ALA  31           HA       ALA  31   6.972   0.775  -1.372
  239   1HB   ALA  31          1HB       ALA  31   5.534   3.352  -2.086
  240   2HB   ALA  31          2HB       ALA  31   5.018   1.731  -2.553
  241   3HB   ALA  31          3HB       ALA  31   6.521   2.397  -3.192
  242    H    SER  32           H        SER  32   7.796   1.957   1.080
  243    HA   SER  32           HA       SER  32   9.554   3.275   1.972
  244   1HB   SER  32          2HB       SER  32  11.446   2.715   0.827
  245   2HB   SER  32          1HB       SER  32  10.351   1.823  -0.224
  246    HG   SER  32           HG       SER  32  10.336   3.512  -1.635
  247    HA   PRO  33           HA       PRO  33   9.187   7.519   0.890
  248   1HB   PRO  33          2HB       PRO  33  11.742   8.498   0.880
  249   2HB   PRO  33          1HB       PRO  33  10.899   8.018   2.366
  250   1HG   PRO  33          2HG       PRO  33  12.970   6.564   0.812
  251   2HG   PRO  33          1HG       PRO  33  12.713   6.638   2.562
  252   1HD   PRO  33          2HD       PRO  33  11.966   4.524   0.972
  253   2HD   PRO  33          1HD       PRO  33  11.225   4.911   2.540
  254    H    PHE  34           H        PHE  34   8.644   6.488  -1.402
  255    HA   PHE  34           HA       PHE  34  10.660   7.169  -3.472
  256   1HB   PHE  34          2HB       PHE  34   8.526   5.295  -3.083
  257   2HB   PHE  34          1HB       PHE  34   8.174   6.246  -4.526
  258    HD1  PHE  34           1HD      PHE  34   8.999   5.404  -6.520
  259    HD2  PHE  34           2HD      PHE  34  11.189   4.691  -2.896
  260    HE1  PHE  34           1HE      PHE  34  10.687   4.112  -7.796
  261    HE2  PHE  34           2HE      PHE  34  12.879   3.397  -4.171
  262    HZ   PHE  34           HZ       PHE  34  12.627   3.107  -6.622
  Start of MODEL    7
    1   1H    GLU   1          1HT       GLU   1 -11.419   6.222  -2.660
    2   2H    GLU   1          2HT       GLU   1 -12.343   6.041  -1.247
    3   3H    GLU   1          3HT       GLU   1 -11.452   4.729  -1.857
    4    HA   GLU   1           HA       GLU   1  -9.959   7.162  -1.195
    5   1HB   GLU   1          2HB       GLU   1  -9.984   6.445   1.196
    6   2HB   GLU   1          1HB       GLU   1 -11.580   6.936   0.629
    7   1HG   GLU   1          2HG       GLU   1 -11.001   4.087   0.188
    8   2HG   GLU   1          1HG       GLU   1 -11.024   4.549   1.891
    9    H    CYS   2           H        CYS   2  -8.166   5.974   0.466
   10    HA   CYS   2           HA       CYS   2  -6.986   3.830  -1.250
   11   1HB   CYS   2          2HB       CYS   2  -4.893   4.635  -0.444
   12   2HB   CYS   2          1HB       CYS   2  -5.863   6.086  -0.701
   13    H    GLY   3           H        GLY   3  -5.202   2.828   0.649
   14   1HA   GLY   3          2HA       GLY   3  -6.884   1.811   2.876
   15   2HA   GLY   3          1HA       GLY   3  -6.148   0.636   1.786
   16    H    LYS   4           H        LYS   4  -5.688   1.392   4.726
   17    HA   LYS   4           HA       LYS   4  -2.945   2.406   4.834
   18   1HB   LYS   4          2HB       LYS   4  -4.602   2.772   6.618
   19   2HB   LYS   4          1HB       LYS   4  -4.792   1.032   6.822
   20   1HG   LYS   4          2HG       LYS   4  -3.294   1.523   8.534
   21   2HG   LYS   4          1HG       LYS   4  -2.187   1.093   7.232
   22   1HD   LYS   4          2HD       LYS   4  -1.244   3.124   7.429
   23   2HD   LYS   4          1HD       LYS   4  -2.768   3.840   6.897
   24   1HE   LYS   4          2HE       LYS   4  -2.318   3.026   9.778
   25   2HE   LYS   4          1HE       LYS   4  -1.896   4.642   9.178
   26   1HZ   LYS   4          1HZ       LYS   4  -4.514   3.507   8.485
   27   2HZ   LYS   4          2HZ       LYS   4  -4.062   5.134   8.680
   28   3HZ   LYS   4          3HZ       LYS   4  -4.301   4.147  10.042
   29    H    PHE   5           H        PHE   5  -1.128   1.005   5.656
   30    HA   PHE   5           HA       PHE   5  -0.514  -1.246   4.233
   31   1HB   PHE   5          2HB       PHE   5   0.868  -0.032   5.962
   32   2HB   PHE   5          1HB       PHE   5   0.005  -0.938   7.203
   33    HD1  PHE   5           1HD      PHE   5   0.911  -2.971   7.923
   34    HD2  PHE   5           2HD      PHE   5   1.872  -1.533   3.989
   35    HE1  PHE   5           1HE      PHE   5   2.477  -4.867   7.608
   36    HE2  PHE   5           2HE      PHE   5   3.435  -3.437   3.684
   37    HZ   PHE   5           HZ       PHE   5   3.730  -5.100   5.486
   38    H    MET   6           H        MET   6  -1.025  -3.418   4.274
   39    HA   MET   6           HA       MET   6  -2.053  -5.427   4.937
   40   1HB   MET   6          2HB       MET   6  -3.090  -3.865   7.314
   41   2HB   MET   6          1HB       MET   6  -2.969  -5.610   7.160
   42   1HG   MET   6          2HG       MET   6  -0.400  -4.430   6.615
   43   2HG   MET   6          1HG       MET   6  -1.001  -3.853   8.170
   44   1HE   MET   6          1HE       MET   6   1.669  -6.271   8.585
   45   2HE   MET   6          2HE       MET   6   0.760  -5.939  10.056
   46   3HE   MET   6          3HE       MET   6   0.986  -4.663   8.862
   47    H    TRP   7           H        TRP   7  -3.516  -2.602   4.020
   48    HA   TRP   7           HA       TRP   7  -6.306  -3.491   4.297
   49   1HB   TRP   7          2HB       TRP   7  -4.831  -1.145   3.149
   50   2HB   TRP   7          1HB       TRP   7  -6.481  -1.434   2.636
   51    HD1  TRP   7           HD       TRP   7  -4.829  -1.720   6.147
   52    HE1  TRP   7           1HE      TRP   7  -6.302  -0.369   7.791
   53    HE3  TRP   7           3HE      TRP   7  -8.299   0.094   2.918
   54    HZ2  TRP   7           2HZ      TRP   7  -8.623   1.247   7.738
   55    HZ3  TRP   7           3HZ      TRP   7 -10.153   1.548   3.728
   56    HH2  TRP   7           HH       TRP   7 -10.317   2.127   6.138
   57    H    LYS   8           H        LYS   8  -7.313  -4.802   2.847
   58    HA   LYS   8           HA       LYS   8  -6.159  -6.195   0.740
   59   1HB   LYS   8          2HB       LYS   8  -8.550  -6.412  -0.045
   60   2HB   LYS   8          1HB       LYS   8  -8.342  -6.706   1.681
   61   1HG   LYS   8          2HG       LYS   8  -8.791  -4.086   1.825
   62   2HG   LYS   8          1HG       LYS   8  -9.617  -4.382   0.295
   63   1HD   LYS   8          2HD       LYS   8 -11.332  -4.751   1.838
   64   2HD   LYS   8          1HD       LYS   8 -10.714  -6.384   1.590
   65   1HE   LYS   8          2HE       LYS   8 -10.905  -6.079   3.979
   66   2HE   LYS   8          1HE       LYS   8  -9.175  -5.952   3.603
   67   1HZ   LYS   8          1HZ       LYS   8 -10.019  -3.448   3.150
   68   2HZ   LYS   8          2HZ       LYS   8  -9.345  -3.970   4.620
   69   3HZ   LYS   8          3HZ       LYS   8 -11.032  -3.890   4.437
   70    H    CYS   9           H        CYS   9  -5.777  -5.770  -1.448
   71    HA   CYS   9           HA       CYS   9  -6.575  -3.080  -2.494
   72   1HB   CYS   9          2HB       CYS   9  -4.220  -3.104  -3.501
   73   2HB   CYS   9          1HB       CYS   9  -4.312  -2.891  -1.754
   74    H    LYS  10           H        LYS  10  -6.075  -3.035  -4.959
   75    HA   LYS  10           HA       LYS  10  -7.013  -5.613  -6.156
   76   1HB   LYS  10          2HB       LYS  10  -8.108  -4.245  -7.764
   77   2HB   LYS  10          1HB       LYS  10  -8.334  -3.394  -6.238
   78   1HG   LYS  10          2HG       LYS  10  -7.546  -1.612  -7.430
   79   2HG   LYS  10          1HG       LYS  10  -5.977  -2.311  -7.042
   80   1HD   LYS  10          2HD       LYS  10  -5.605  -2.475  -9.260
   81   2HD   LYS  10          1HD       LYS  10  -6.847  -3.729  -9.297
   82   1HE   LYS  10          2HE       LYS  10  -8.159  -1.177  -9.217
   83   2HE   LYS  10          1HE       LYS  10  -6.955  -1.159 -10.522
   84   1HZ   LYS  10          1HZ       LYS  10  -7.788  -3.327 -11.246
   85   2HZ   LYS  10          2HZ       LYS  10  -9.011  -2.148 -11.304
   86   3HZ   LYS  10          3HZ       LYS  10  -8.980  -3.283 -10.039
   87    H    ASN  11           H        ASN  11  -4.559  -3.130  -6.246
   88    HA   ASN  11           HA       ASN  11  -2.564  -4.729  -7.476
   89   1HB   ASN  11          2HB       ASN  11  -4.578  -4.042  -9.250
   90   2HB   ASN  11          1HB       ASN  11  -3.350  -2.816  -9.565
   91   1HD2  ASN  11          1HD2      ASN  11  -2.427  -3.632 -11.500
   92   2HD2  ASN  11          2HD2      ASN  11  -1.709  -5.164 -11.623
   93    H    SER  12           H        SER  12  -3.910  -1.518  -6.937
   94    HA   SER  12           HA       SER  12  -1.677  -0.407  -5.679
   95   1HB   SER  12          2HB       SER  12  -0.295  -0.659  -7.541
   96   2HB   SER  12          1HB       SER  12  -1.616  -0.400  -8.676
   97    HG   SER  12           HG       SER  12  -0.967   1.696  -6.959
   98    H    ASN  13           H        ASN  13  -4.464   0.069  -7.735
   99    HA   ASN  13           HA       ASN  13  -4.675   2.949  -7.266
  100   1HB   ASN  13          2HB       ASN  13  -6.413   0.777  -8.446
  101   2HB   ASN  13          1HB       ASN  13  -6.973   2.444  -8.319
  102   1HD2  ASN  13          1HD2      ASN  13  -6.361   0.929 -10.820
  103   2HD2  ASN  13          2HD2      ASN  13  -5.145   1.808 -11.612
  104    H    ASP  14           H        ASP  14  -4.947   0.535  -5.105
  105    HA   ASP  14           HA       ASP  14  -7.341   1.736  -3.748
  106   1HB   ASP  14          2HB       ASP  14  -6.257  -1.020  -4.097
  107   2HB   ASP  14          1HB       ASP  14  -7.032  -0.657  -2.554
  108    H    CYS  15           H        CYS  15  -3.941   1.248  -3.573
  109    HA   CYS  15           HA       CYS  15  -3.772   1.389  -0.641
  110   1HB   CYS  15          2HB       CYS  15  -1.722   1.509  -2.876
  111   2HB   CYS  15          1HB       CYS  15  -1.354   1.287  -1.165
  112    H    CYS  16           H        CYS  16  -2.462   3.147   0.384
  113    HA   CYS  16           HA       CYS  16  -3.262   5.792  -0.663
  114   1HB   CYS  16          2HB       CYS  16  -2.746   4.572   1.850
  115   2HB   CYS  16          1HB       CYS  16  -1.599   5.892   1.651
  116    H    LYS  17           H        LYS  17  -1.490   7.565  -0.471
  117    HA   LYS  17           HA       LYS  17   0.531   7.221  -2.356
  118   1HB   LYS  17          2HB       LYS  17  -0.319   9.343  -1.332
  119   2HB   LYS  17          1HB       LYS  17   0.594   8.960   0.128
  120   1HG   LYS  17          2HG       LYS  17   2.547   9.628  -0.797
  121   2HG   LYS  17          1HG       LYS  17   2.216   8.768  -2.302
  122   1HD   LYS  17          2HD       LYS  17   0.377  10.836  -2.357
  123   2HD   LYS  17          1HD       LYS  17   1.803  11.593  -1.646
  124   1HE   LYS  17          2HE       LYS  17   2.160  11.856  -3.972
  125   2HE   LYS  17          1HE       LYS  17   3.094  10.396  -3.596
  126   1HZ   LYS  17          1HZ       LYS  17   1.755   9.728  -5.357
  127   2HZ   LYS  17          2HZ       LYS  17   0.409  10.605  -4.807
  128   3HZ   LYS  17          3HZ       LYS  17   0.889   9.188  -4.002
  129    H    ASP  18           H        ASP  18   2.835   6.816  -2.133
  130    HA   ASP  18           HA       ASP  18   4.697   5.636  -1.282
  131   1HB   ASP  18          2HB       ASP  18   3.345   6.653   1.239
  132   2HB   ASP  18          1HB       ASP  18   4.965   5.957   1.210
  133    H    LEU  19           H        LEU  19   1.940   4.337  -1.586
  134    HA   LEU  19           HA       LEU  19   2.626   1.837  -0.134
  135   1HB   LEU  19          2HB       LEU  19   0.997   3.486   1.096
  136   2HB   LEU  19          1HB       LEU  19  -0.184   2.919  -0.084
  137    HG   LEU  19           HG       LEU  19   0.392   0.559   0.600
  138   1HD1  LEU  19          1HD1      LEU  19   1.737   0.135   2.492
  139   2HD1  LEU  19          2HD1      LEU  19   1.624   1.801   3.057
  140   3HD1  LEU  19          3HD1      LEU  19   2.619   1.412   1.658
  141   1HD2  LEU  19          1HD2      LEU  19  -0.949   0.640   2.642
  142   2HD2  LEU  19          2HD2      LEU  19  -1.588   1.803   1.480
  143   3HD2  LEU  19          3HD2      LEU  19  -0.602   2.360   2.832
  144    H    VAL  20           H        VAL  20   2.146   0.039  -1.389
  145    HA   VAL  20           HA       VAL  20   0.291   0.377  -3.706
  146    HB   VAL  20           HB       VAL  20   2.032  -0.641  -5.147
  147   1HG1  VAL  20          1HG1      VAL  20   3.020   1.769  -3.590
  148   2HG1  VAL  20          2HG1      VAL  20   1.882   1.826  -4.938
  149   3HG1  VAL  20          3HG1      VAL  20   3.543   1.300  -5.208
  150   1HG2  VAL  20          1HG2      VAL  20   4.295  -0.965  -4.283
  151   2HG2  VAL  20          2HG2      VAL  20   3.162  -1.894  -3.302
  152   3HG2  VAL  20          3HG2      VAL  20   3.802  -0.366  -2.698
  153    H    CYS  21           H        CYS  21  -0.759  -1.550  -4.293
  154    HA   CYS  21           HA       CYS  21  -1.209  -3.581  -2.397
  155   1HB   CYS  21          2HB       CYS  21  -2.513  -2.983  -4.480
  156   2HB   CYS  21          1HB       CYS  21  -1.281  -3.824  -5.422
  157    H    SER  22           H        SER  22  -0.228  -5.638  -2.034
  158    HA   SER  22           HA       SER  22   2.131  -6.325  -3.737
  159   1HB   SER  22          2HB       SER  22   2.201  -5.150  -1.174
  160   2HB   SER  22          1HB       SER  22   2.632  -6.840  -0.939
  161    HG   SER  22           HG       SER  22   4.065  -6.454  -2.836
  162    H    SER  23           H        SER  23   1.627  -8.340  -4.471
  163    HA   SER  23           HA       SER  23  -0.200 -10.145  -3.236
  164   1HB   SER  23          2HB       SER  23   0.742  -9.885  -5.671
  165   2HB   SER  23          1HB       SER  23   2.017 -10.958  -5.100
  166    HG   SER  23           HG       SER  23  -0.599 -11.483  -5.700
  167    H    ARG  24           H        ARG  24   3.200  -9.535  -2.779
  168    HA   ARG  24           HA       ARG  24   3.814 -12.108  -1.526
  169   1HB   ARG  24          2HB       ARG  24   5.286 -10.264  -2.753
  170   2HB   ARG  24          1HB       ARG  24   5.399  -9.592  -1.127
  171   1HG   ARG  24          2HG       ARG  24   5.912 -12.170  -0.551
  172   2HG   ARG  24          1HG       ARG  24   6.515 -12.131  -2.208
  173   1HD   ARG  24          2HD       ARG  24   8.414 -11.176  -1.419
  174   2HD   ARG  24          1HD       ARG  24   7.452  -9.756  -0.963
  175    HE   ARG  24           HE       ARG  24   7.261 -10.633   1.263
  176   1HH1  ARG  24          1HH1      ARG  24   9.821 -11.949  -0.412
  177   2HH1  ARG  24          2HH1      ARG  24   9.996 -13.354   0.586
  178   1HH2  ARG  24          1HH2      ARG  24   7.052 -12.810   2.333
  179   2HH2  ARG  24          2HH2      ARG  24   8.429 -13.842   2.137
  180    H    TRP  25           H        TRP  25   3.023  -8.826  -0.463
  181    HA   TRP  25           HA       TRP  25   3.152  -9.644   2.386
  182   1HB   TRP  25          2HB       TRP  25   2.681  -7.034   0.916
  183   2HB   TRP  25          1HB       TRP  25   2.675  -7.173   2.675
  184    HD1  TRP  25           HD       TRP  25   4.957  -6.542  -0.116
  185    HE1  TRP  25           1HE      TRP  25   7.415  -6.803   0.621
  186    HE3  TRP  25           3HE      TRP  25   4.304  -8.885   4.379
  187    HZ2  TRP  25           2HZ      TRP  25   8.888  -7.848   2.778
  188    HZ3  TRP  25           3HZ      TRP  25   6.271  -9.509   5.756
  189    HH2  TRP  25           HH       TRP  25   8.566  -8.994   4.963
  190    H    LYS  26           H        LYS  26   0.904  -9.520  -0.156
  191    HA   LYS  26           HA       LYS  26  -1.391 -10.044  -0.187
  192   1HB   LYS  26          2HB       LYS  26  -1.964 -11.450   1.516
  193   2HB   LYS  26          1HB       LYS  26  -0.296 -11.226   2.030
  194   1HG   LYS  26          2HG       LYS  26  -1.497  -9.047   3.172
  195   2HG   LYS  26          1HG       LYS  26  -2.792 -10.233   3.258
  196   1HD   LYS  26          2HD       LYS  26  -0.023 -10.369   4.451
  197   2HD   LYS  26          1HD       LYS  26  -1.579 -10.525   5.266
  198   1HE   LYS  26          2HE       LYS  26  -1.707 -12.577   3.425
  199   2HE   LYS  26          1HE       LYS  26   0.004 -12.591   3.893
  200   1HZ   LYS  26          1HZ       LYS  26  -2.337 -12.604   5.725
  201   2HZ   LYS  26          2HZ       LYS  26  -0.723 -12.437   6.231
  202   3HZ   LYS  26          3HZ       LYS  26  -1.237 -13.872   5.483
  203    H    TRP  27           H        TRP  27  -0.390  -7.190   0.270
  204    HA   TRP  27           HA       TRP  27  -2.925  -5.934   0.586
  205   1HB   TRP  27          2HB       TRP  27  -2.557  -5.000   2.896
  206   2HB   TRP  27          1HB       TRP  27  -2.801  -6.740   2.879
  207    HD1  TRP  27           HD       TRP  27   0.425  -4.702   2.244
  208    HE1  TRP  27           1HE      TRP  27   2.255  -5.554   3.829
  209    HE3  TRP  27           3HE      TRP  27  -2.248  -8.112   4.937
  210    HZ2  TRP  27           2HZ      TRP  27   2.559  -7.382   5.948
  211    HZ3  TRP  27           3HZ      TRP  27  -1.153  -9.384   6.762
  212    HH2  TRP  27           HH       TRP  27   1.248  -9.026   7.274
  213    H    CYS  28           H        CYS  28  -2.529  -3.460   1.250
  214    HA   CYS  28           HA       CYS  28  -0.666  -2.330  -0.614
  215   1HB   CYS  28          2HB       CYS  28  -2.154  -1.276   1.816
  216   2HB   CYS  28          1HB       CYS  28  -1.266  -0.227   0.708
  217    H    VAL  29           H        VAL  29   1.559  -2.158  -0.373
  218    HA   VAL  29           HA       VAL  29   2.654  -2.446   2.394
  219    HB   VAL  29           HB       VAL  29   4.697  -3.211   1.146
  220   1HG1  VAL  29          1HG1      VAL  29   3.168  -4.884   1.965
  221   2HG1  VAL  29          2HG1      VAL  29   3.611  -5.342   0.321
  222   3HG1  VAL  29          3HG1      VAL  29   2.048  -4.590   0.635
  223   1HG2  VAL  29          1HG2      VAL  29   4.791  -3.226  -1.151
  224   2HG2  VAL  29          2HG2      VAL  29   3.656  -1.888  -0.967
  225   3HG2  VAL  29          3HG2      VAL  29   3.059  -3.507  -1.323
  226    H    LEU  30           H        LEU  30   4.419  -1.128   3.036
  227    HA   LEU  30           HA       LEU  30   4.306   1.629   2.389
  228   1HB   LEU  30          2HB       LEU  30   6.560  -0.056   3.525
  229   2HB   LEU  30          1HB       LEU  30   6.415   1.694   3.690
  230    HG   LEU  30           HG       LEU  30   4.226  -0.175   4.607
  231   1HD1  LEU  30          1HD1      LEU  30   6.837   0.476   5.872
  232   2HD1  LEU  30          2HD1      LEU  30   5.811  -0.944   6.074
  233   3HD1  LEU  30          3HD1      LEU  30   5.420   0.555   6.917
  234   1HD2  LEU  30          1HD2      LEU  30   4.612   2.669   4.469
  235   2HD2  LEU  30          2HD2      LEU  30   4.523   2.193   6.164
  236   3HD2  LEU  30          3HD2      LEU  30   3.207   1.783   5.064
  237    H    ALA  31           H        ALA  31   4.632   2.236   0.235
  238    HA   ALA  31           HA       ALA  31   6.913   1.071  -1.260
  239   1HB   ALA  31          1HB       ALA  31   5.848   2.386  -3.130
  240   2HB   ALA  31          2HB       ALA  31   4.648   2.961  -1.973
  241   3HB   ALA  31          3HB       ALA  31   4.743   1.245  -2.363
  242    H    SER  32           H        SER  32   7.658   2.653   0.937
  243    HA   SER  32           HA       SER  32   9.487   4.513  -0.259
  244   1HB   SER  32          2HB       SER  32   7.070   5.531  -0.461
  245   2HB   SER  32          1HB       SER  32   7.287   5.909   1.244
  246    HG   SER  32           HG       SER  32   9.191   7.021   0.677
  247    HA   PRO  33           HA       PRO  33  10.912   3.636   3.885
  248   1HB   PRO  33          2HB       PRO  33  13.367   4.812   3.599
  249   2HB   PRO  33          1HB       PRO  33  12.982   3.209   2.940
  250   1HG   PRO  33          2HG       PRO  33  13.105   5.843   1.561
  251   2HG   PRO  33          1HG       PRO  33  13.621   4.247   0.996
  252   1HD   PRO  33          2HD       PRO  33  11.290   5.437   0.227
  253   2HD   PRO  33          1HD       PRO  33  11.521   3.676   0.286
  254    H    PHE  34           H        PHE  34   9.546   5.078   5.080
  255    HA   PHE  34           HA       PHE  34  10.374   7.951   5.159
  256   1HB   PHE  34          2HB       PHE  34   7.960   6.903   4.722
  257   2HB   PHE  34          1HB       PHE  34   7.920   6.857   6.485
  258    HD1  PHE  34           1HD      PHE  34   6.275   8.637   4.466
  259    HD2  PHE  34           2HD      PHE  34   9.782   9.303   6.855
  260    HE1  PHE  34           1HE      PHE  34   5.777  11.066   4.520
  261    HE2  PHE  34           2HE      PHE  34   9.283  11.732   6.909
  262    HZ   PHE  34           HZ       PHE  34   7.282  12.613   5.740
  Start of MODEL    8
    1   1H    GLU   1          1HT       GLU   1 -12.384   5.335  -2.205
    2   2H    GLU   1          2HT       GLU   1 -11.926   3.990  -1.274
    3   3H    GLU   1          3HT       GLU   1 -11.334   4.174  -2.856
    4    HA   GLU   1           HA       GLU   1 -10.209   6.271  -2.108
    5   1HB   GLU   1          2HB       GLU   1 -10.701   5.170   0.653
    6   2HB   GLU   1          1HB       GLU   1 -10.268   6.812   0.181
    7   1HG   GLU   1          2HG       GLU   1 -12.938   5.476  -0.349
    8   2HG   GLU   1          1HG       GLU   1 -12.627   6.685   0.896
    9    H    CYS   2           H        CYS   2  -8.057   6.012  -0.755
   10    HA   CYS   2           HA       CYS   2  -6.723   3.604  -1.661
   11   1HB   CYS   2          2HB       CYS   2  -4.801   4.694  -0.820
   12   2HB   CYS   2          1HB       CYS   2  -5.867   6.028  -1.252
   13    H    GLY   3           H        GLY   3  -5.114   2.942   0.527
   14   1HA   GLY   3          2HA       GLY   3  -6.896   2.223   2.759
   15   2HA   GLY   3          1HA       GLY   3  -6.270   0.867   1.820
   16    H    LYS   4           H        LYS   4  -5.735   1.632   4.644
   17    HA   LYS   4           HA       LYS   4  -2.981   2.604   4.750
   18   1HB   LYS   4          2HB       LYS   4  -5.167   2.360   6.453
   19   2HB   LYS   4          1HB       LYS   4  -4.042   1.145   7.062
   20   1HG   LYS   4          2HG       LYS   4  -2.631   3.583   6.396
   21   2HG   LYS   4          1HG       LYS   4  -3.942   3.919   7.527
   22   1HD   LYS   4          2HD       LYS   4  -2.322   1.498   8.097
   23   2HD   LYS   4          1HD       LYS   4  -1.506   3.047   8.318
   24   1HE   LYS   4          2HE       LYS   4  -4.246   2.489   9.490
   25   2HE   LYS   4          1HE       LYS   4  -2.743   2.178  10.380
   26   1HZ   LYS   4          1HZ       LYS   4  -2.211   4.581   9.435
   27   2HZ   LYS   4          2HZ       LYS   4  -3.004   4.353  10.920
   28   3HZ   LYS   4          3HZ       LYS   4  -3.899   4.719   9.523
   29    H    PHE   5           H        PHE   5  -1.302   1.139   5.892
   30    HA   PHE   5           HA       PHE   5  -0.578  -1.055   4.386
   31   1HB   PHE   5          2HB       PHE   5   0.713   0.108   6.204
   32   2HB   PHE   5          1HB       PHE   5  -0.230  -0.802   7.385
   33    HD1  PHE   5           1HD      PHE   5   0.954  -2.602   8.283
   34    HD2  PHE   5           2HD      PHE   5   1.459  -1.642   4.124
   35    HE1  PHE   5           1HE      PHE   5   2.512  -4.508   8.028
   36    HE2  PHE   5           2HE      PHE   5   3.017  -3.555   3.879
   37    HZ   PHE   5           HZ       PHE   5   3.544  -4.980   5.826
   38    H    MET   6           H        MET   6  -0.933  -3.273   4.471
   39    HA   MET   6           HA       MET   6  -1.982  -5.299   4.978
   40   1HB   MET   6          2HB       MET   6  -3.071  -3.830   7.392
   41   2HB   MET   6          1HB       MET   6  -2.866  -5.569   7.208
   42   1HG   MET   6          2HG       MET   6  -0.340  -4.826   6.710
   43   2HG   MET   6          1HG       MET   6  -0.815  -3.469   7.730
   44   1HE   MET   6          1HE       MET   6   1.533  -5.533   9.230
   45   2HE   MET   6          2HE       MET   6   1.083  -5.940   7.576
   46   3HE   MET   6          3HE       MET   6   0.925  -7.148   8.849
   47    H    TRP   7           H        TRP   7  -3.422  -2.751   3.762
   48    HA   TRP   7           HA       TRP   7  -6.244  -3.539   4.187
   49   1HB   TRP   7          2HB       TRP   7  -4.721  -1.292   2.927
   50   2HB   TRP   7          1HB       TRP   7  -6.367  -1.581   2.394
   51    HD1  TRP   7           HD       TRP   7  -4.872  -1.857   5.946
   52    HE1  TRP   7           1HE      TRP   7  -6.298  -0.353   7.507
   53    HE3  TRP   7           3HE      TRP   7  -8.047   0.172   2.543
   54    HZ2  TRP   7           2HZ      TRP   7  -8.473   1.452   7.322
   55    HZ3  TRP   7           3HZ      TRP   7  -9.801   1.791   3.243
   56    HH2  TRP   7           HH       TRP   7 -10.018   2.437   5.631
   57    H    LYS   8           H        LYS   8  -7.270  -4.942   2.805
   58    HA   LYS   8           HA       LYS   8  -6.118  -6.412   0.742
   59   1HB   LYS   8          2HB       LYS   8  -8.354  -6.762   1.788
   60   2HB   LYS   8          1HB       LYS   8  -8.961  -5.353   0.917
   61   1HG   LYS   8          2HG       LYS   8  -9.066  -6.462  -1.074
   62   2HG   LYS   8          1HG       LYS   8  -7.600  -7.387  -0.750
   63   1HD   LYS   8          2HD       LYS   8  -8.741  -9.097   0.249
   64   2HD   LYS   8          1HD       LYS   8  -9.925  -8.014   0.981
   65   1HE   LYS   8          2HE       LYS   8 -10.610  -7.677  -1.603
   66   2HE   LYS   8          1HE       LYS   8  -9.975  -9.331  -1.693
   67   1HZ   LYS   8          1HZ       LYS   8 -11.359  -9.967   0.149
   68   2HZ   LYS   8          2HZ       LYS   8 -12.340  -9.261  -1.045
   69   3HZ   LYS   8          3HZ       LYS   8 -11.918  -8.377   0.343
   70    H    CYS   9           H        CYS   9  -5.449  -5.897  -1.327
   71    HA   CYS   9           HA       CYS   9  -6.292  -3.229  -2.417
   72   1HB   CYS   9          2HB       CYS   9  -4.001  -3.282  -3.461
   73   2HB   CYS   9          1HB       CYS   9  -3.974  -3.274  -1.698
   74    H    LYS  10           H        LYS  10  -5.912  -3.179  -4.887
   75    HA   LYS  10           HA       LYS  10  -6.914  -5.739  -6.088
   76   1HB   LYS  10          2HB       LYS  10  -8.186  -4.356  -7.567
   77   2HB   LYS  10          1HB       LYS  10  -8.373  -3.630  -5.972
   78   1HG   LYS  10          2HG       LYS  10  -7.747  -1.709  -7.014
   79   2HG   LYS  10          1HG       LYS  10  -6.118  -2.364  -6.883
   80   1HD   LYS  10          2HD       LYS  10  -6.331  -1.817  -9.174
   81   2HD   LYS  10          1HD       LYS  10  -6.624  -3.556  -9.121
   82   1HE   LYS  10          2HE       LYS  10  -8.373  -2.595 -10.491
   83   2HE   LYS  10          1HE       LYS  10  -9.119  -2.991  -8.929
   84   1HZ   LYS  10          1HZ       LYS  10  -9.437  -0.627  -9.857
   85   2HZ   LYS  10          2HZ       LYS  10  -7.832  -0.371  -9.361
   86   3HZ   LYS  10          3HZ       LYS  10  -9.018  -0.802  -8.223
   87    H    ASN  11           H        ASN  11  -4.600  -3.145  -6.234
   88    HA   ASN  11           HA       ASN  11  -2.680  -4.586  -7.778
   89   1HB   ASN  11          2HB       ASN  11  -4.363  -4.357  -9.544
   90   2HB   ASN  11          1HB       ASN  11  -4.446  -2.617  -9.269
   91   1HD2  ASN  11          1HD2      ASN  11  -3.393  -1.605 -10.982
   92   2HD2  ASN  11          2HD2      ASN  11  -1.906  -2.095 -11.638
   93    H    SER  12           H        SER  12  -4.029  -1.427  -6.927
   94    HA   SER  12           HA       SER  12  -1.755  -0.410  -5.646
   95   1HB   SER  12          2HB       SER  12  -1.495  -0.618  -8.491
   96   2HB   SER  12          1HB       SER  12  -1.519   1.090  -8.061
   97    HG   SER  12           HG       SER  12   0.027   0.308  -6.323
   98    H    ASN  13           H        ASN  13  -4.577   0.227  -7.626
   99    HA   ASN  13           HA       ASN  13  -4.848   3.037  -6.974
  100   1HB   ASN  13          2HB       ASN  13  -6.283   0.884  -8.369
  101   2HB   ASN  13          1HB       ASN  13  -7.355   2.068  -7.620
  102   1HD2  ASN  13          1HD2      ASN  13  -4.173   2.292  -9.328
  103   2HD2  ASN  13          2HD2      ASN  13  -4.663   3.531 -10.378
  104    H    ASP  14           H        ASP  14  -5.119   0.322  -5.026
  105    HA   ASP  14           HA       ASP  14  -7.328   1.449  -3.364
  106   1HB   ASP  14          2HB       ASP  14  -6.127  -1.187  -3.939
  107   2HB   ASP  14          1HB       ASP  14  -6.559  -0.940  -2.248
  108    H    CYS  15           H        CYS  15  -3.885   1.162  -3.475
  109    HA   CYS  15           HA       CYS  15  -3.509   1.411  -0.568
  110   1HB   CYS  15          2HB       CYS  15  -1.573   1.557  -2.896
  111   2HB   CYS  15          1HB       CYS  15  -1.166   1.243  -1.209
  112    H    CYS  16           H        CYS  16  -2.282   3.242   0.334
  113    HA   CYS  16           HA       CYS  16  -3.066   5.816  -0.941
  114   1HB   CYS  16          2HB       CYS  16  -2.933   4.767   1.687
  115   2HB   CYS  16          1HB       CYS  16  -1.762   6.078   1.585
  116    H    LYS  17           H        LYS  17  -1.381   7.639  -0.553
  117    HA   LYS  17           HA       LYS  17   0.834   7.421  -2.160
  118   1HB   LYS  17          2HB       LYS  17  -0.142   9.430  -0.939
  119   2HB   LYS  17          1HB       LYS  17   0.789   8.922   0.470
  120   1HG   LYS  17          2HG       LYS  17   2.006  10.622  -0.867
  121   2HG   LYS  17          1HG       LYS  17   2.871   9.086  -0.823
  122   1HD   LYS  17          2HD       LYS  17   2.417   8.604  -3.039
  123   2HD   LYS  17          1HD       LYS  17   0.921   9.537  -3.044
  124   1HE   LYS  17          2HE       LYS  17   2.026  11.564  -3.390
  125   2HE   LYS  17          1HE       LYS  17   3.541  10.971  -2.680
  126   1HZ   LYS  17          1HZ       LYS  17   3.599  11.055  -5.137
  127   2HZ   LYS  17          2HZ       LYS  17   2.335   9.921  -5.184
  128   3HZ   LYS  17          3HZ       LYS  17   3.842   9.494  -4.525
  129    H    ASP  18           H        ASP  18   2.996   6.738  -1.910
  130    HA   ASP  18           HA       ASP  18   4.780   5.481  -0.999
  131   1HB   ASP  18          2HB       ASP  18   3.454   6.953   1.190
  132   2HB   ASP  18          1HB       ASP  18   4.417   5.573   1.717
  133    H    LEU  19           H        LEU  19   1.951   4.316  -1.440
  134    HA   LEU  19           HA       LEU  19   2.503   1.743  -0.067
  135   1HB   LEU  19          2HB       LEU  19   0.875   3.485   1.130
  136   2HB   LEU  19          1HB       LEU  19  -0.290   2.801  -0.005
  137    HG   LEU  19           HG       LEU  19   0.340   0.515   0.799
  138   1HD1  LEU  19          1HD1      LEU  19   2.618   1.411   1.691
  139   2HD1  LEU  19          2HD1      LEU  19   1.778   0.197   2.651
  140   3HD1  LEU  19          3HD1      LEU  19   1.703   1.897   3.115
  141   1HD2  LEU  19          1HD2      LEU  19  -1.394   2.312   1.901
  142   2HD2  LEU  19          2HD2      LEU  19  -0.399   1.914   3.302
  143   3HD2  LEU  19          3HD2      LEU  19  -1.249   0.636   2.433
  144    H    VAL  20           H        VAL  20   1.862  -0.026  -1.286
  145    HA   VAL  20           HA       VAL  20   0.065   0.392  -3.618
  146    HB   VAL  20           HB       VAL  20   1.858  -0.742  -5.030
  147   1HG1  VAL  20          1HG1      VAL  20   2.891   1.315  -5.554
  148   2HG1  VAL  20          2HG1      VAL  20   2.838   1.866  -3.880
  149   3HG1  VAL  20          3HG1      VAL  20   1.356   1.796  -4.831
  150   1HG2  VAL  20          1HG2      VAL  20   3.139  -0.751  -2.422
  151   2HG2  VAL  20          2HG2      VAL  20   4.139   0.075  -3.615
  152   3HG2  VAL  20          3HG2      VAL  20   3.619  -1.585  -3.899
  153    H    CYS  21           H        CYS  21  -0.728  -1.642  -4.487
  154    HA   CYS  21           HA       CYS  21  -1.293  -3.669  -2.563
  155   1HB   CYS  21          2HB       CYS  21  -2.574  -3.103  -4.639
  156   2HB   CYS  21          1HB       CYS  21  -1.273  -3.808  -5.598
  157    H    SER  22           H        SER  22  -0.230  -5.628  -2.089
  158    HA   SER  22           HA       SER  22   2.146  -6.322  -3.772
  159   1HB   SER  22          2HB       SER  22   2.124  -5.154  -1.184
  160   2HB   SER  22          1HB       SER  22   2.641  -6.826  -0.984
  161    HG   SER  22           HG       SER  22   3.951  -6.151  -3.024
  162    H    SER  23           H        SER  23   1.479  -8.296  -4.558
  163    HA   SER  23           HA       SER  23  -0.268 -10.122  -3.270
  164   1HB   SER  23          2HB       SER  23  -0.073 -10.979  -5.353
  165   2HB   SER  23          1HB       SER  23   1.232  -9.843  -5.676
  166    HG   SER  23           HG       SER  23   1.972 -11.956  -5.929
  167    H    ARG  24           H        ARG  24   3.095  -9.436  -2.836
  168    HA   ARG  24           HA       ARG  24   3.821 -11.994  -1.613
  169   1HB   ARG  24          2HB       ARG  24   5.293 -10.281  -2.844
  170   2HB   ARG  24          1HB       ARG  24   5.196  -9.308  -1.377
  171   1HG   ARG  24          2HG       ARG  24   6.181 -12.173  -1.477
  172   2HG   ARG  24          1HG       ARG  24   7.227 -10.754  -1.428
  173   1HD   ARG  24          2HD       ARG  24   5.615 -10.204   0.689
  174   2HD   ARG  24          1HD       ARG  24   5.620 -11.978   0.749
  175    HE   ARG  24           HE       ARG  24   8.158 -10.394   0.590
  176   1HH1  ARG  24          1HH1      ARG  24   6.857 -13.466   0.898
  177   2HH1  ARG  24          2HH1      ARG  24   7.804 -13.924   2.274
  178   1HH2  ARG  24          1HH2      ARG  24   9.107 -10.750   2.770
  179   2HH2  ARG  24          2HH2      ARG  24   9.078 -12.387   3.332
  180    H    TRP  25           H        TRP  25   3.255  -8.682  -0.444
  181    HA   TRP  25           HA       TRP  25   3.289  -9.510   2.372
  182   1HB   TRP  25          2HB       TRP  25   2.555  -6.945   0.935
  183   2HB   TRP  25          1HB       TRP  25   2.751  -7.091   2.681
  184    HD1  TRP  25           HD       TRP  25   4.665  -6.382  -0.394
  185    HE1  TRP  25           1HE      TRP  25   7.196  -6.383   0.090
  186    HE3  TRP  25           3HE      TRP  25   4.693  -8.494   4.263
  187    HZ2  TRP  25           2HZ      TRP  25   8.972  -7.157   2.128
  188    HZ3  TRP  25           3HZ      TRP  25   6.840  -8.852   5.452
  189    HH2  TRP  25           HH       TRP  25   8.984  -8.187   4.393
  190    H    LYS  26           H        LYS  26   1.001  -9.437  -0.164
  191    HA   LYS  26           HA       LYS  26  -1.261 -10.089  -0.178
  192   1HB   LYS  26          2HB       LYS  26  -1.787 -11.492   1.540
  193   2HB   LYS  26          1HB       LYS  26  -0.133 -11.199   2.064
  194   1HG   LYS  26          2HG       LYS  26  -1.449  -9.049   3.164
  195   2HG   LYS  26          1HG       LYS  26  -2.676 -10.305   3.266
  196   1HD   LYS  26          2HD       LYS  26   0.059 -10.212   4.527
  197   2HD   LYS  26          1HD       LYS  26  -1.498 -10.549   5.278
  198   1HE   LYS  26          2HE       LYS  26  -1.417 -12.610   3.522
  199   2HE   LYS  26          1HE       LYS  26   0.320 -12.396   3.820
  200   1HZ   LYS  26          1HZ       LYS  26  -0.576 -12.092   6.272
  201   2HZ   LYS  26          2HZ       LYS  26  -0.194 -13.624   5.646
  202   3HZ   LYS  26          3HZ       LYS  26  -1.810 -13.101   5.695
  203    H    TRP  27           H        TRP  27  -0.356  -7.198   0.220
  204    HA   TRP  27           HA       TRP  27  -2.916  -6.003   0.491
  205   1HB   TRP  27          2HB       TRP  27  -2.607  -5.026   2.801
  206   2HB   TRP  27          1HB       TRP  27  -2.844  -6.767   2.793
  207    HD1  TRP  27           HD       TRP  27   0.407  -4.762   2.176
  208    HE1  TRP  27           1HE      TRP  27   2.196  -5.576   3.832
  209    HE3  TRP  27           3HE      TRP  27  -2.355  -8.061   4.922
  210    HZ2  TRP  27           2HZ      TRP  27   2.435  -7.338   6.014
  211    HZ3  TRP  27           3HZ      TRP  27  -1.312  -9.283   6.809
  212    HH2  TRP  27           HH       TRP  27   1.080  -8.928   7.362
  213    H    CYS  28           H        CYS  28  -2.557  -3.515   1.238
  214    HA   CYS  28           HA       CYS  28  -0.681  -2.350  -0.621
  215   1HB   CYS  28          2HB       CYS  28  -2.365  -1.345   1.692
  216   2HB   CYS  28          1HB       CYS  28  -1.394  -0.249   0.703
  217    H    VAL  29           H        VAL  29   1.528  -2.372  -0.272
  218    HA   VAL  29           HA       VAL  29   2.495  -2.386   2.560
  219    HB   VAL  29           HB       VAL  29   4.526  -3.354   1.561
  220   1HG1  VAL  29          1HG1      VAL  29   2.984  -5.032   2.110
  221   2HG1  VAL  29          2HG1      VAL  29   3.314  -5.355   0.411
  222   3HG1  VAL  29          3HG1      VAL  29   1.837  -4.515   0.875
  223   1HG2  VAL  29          1HG2      VAL  29   5.005  -2.917  -0.596
  224   2HG2  VAL  29          2HG2      VAL  29   3.431  -2.149  -0.805
  225   3HG2  VAL  29          3HG2      VAL  29   3.612  -3.880  -1.086
  226    H    LEU  30           H        LEU  30   4.440  -1.134   3.036
  227    HA   LEU  30           HA       LEU  30   4.350   1.590   2.337
  228   1HB   LEU  30          2HB       LEU  30   6.687  -0.169   3.162
  229   2HB   LEU  30          1HB       LEU  30   6.657   1.590   3.284
  230    HG   LEU  30           HG       LEU  30   4.581  -0.173   4.608
  231   1HD1  LEU  30          1HD1      LEU  30   5.846   0.016   6.662
  232   2HD1  LEU  30          2HD1      LEU  30   7.045   1.050   5.884
  233   3HD1  LEU  30          3HD1      LEU  30   6.915  -0.650   5.428
  234   1HD2  LEU  30          1HD2      LEU  30   5.250   2.733   4.506
  235   2HD2  LEU  30          2HD2      LEU  30   4.730   2.093   6.065
  236   3HD2  LEU  30          3HD2      LEU  30   3.678   1.947   4.658
  237    H    ALA  31           H        ALA  31   4.280   2.035   0.117
  238    HA   ALA  31           HA       ALA  31   6.074   0.731  -1.782
  239   1HB   ALA  31          1HB       ALA  31   3.672   1.644  -2.100
  240   2HB   ALA  31          2HB       ALA  31   4.834   1.979  -3.383
  241   3HB   ALA  31          3HB       ALA  31   4.432   3.232  -2.209
  242    H    SER  32           H        SER  32   7.627   1.894   0.202
  243    HA   SER  32           HA       SER  32   9.184   3.851  -1.377
  244   1HB   SER  32          2HB       SER  32   7.314   4.588   0.637
  245   2HB   SER  32          1HB       SER  32   8.921   4.853   1.307
  246    HG   SER  32           HG       SER  32   8.099   6.648   0.086
  247    HA   PRO  33           HA       PRO  33  12.507   1.825   0.652
  248   1HB   PRO  33          2HB       PRO  33  14.367   3.831   0.801
  249   2HB   PRO  33          1HB       PRO  33  13.945   3.014  -0.718
  250   1HG   PRO  33          2HG       PRO  33  13.054   5.656   0.322
  251   2HG   PRO  33          1HG       PRO  33  13.463   5.173  -1.332
  252   1HD   PRO  33          2HD       PRO  33  10.901   5.430  -0.432
  253   2HD   PRO  33          1HD       PRO  33  11.375   4.326  -1.742
  254    H    PHE  34           H        PHE  34  12.528   1.303   2.800
  255    HA   PHE  34           HA       PHE  34  12.269   3.522   4.803
  256   1HB   PHE  34          2HB       PHE  34  10.342   2.100   4.822
  257   2HB   PHE  34          1HB       PHE  34  11.332   0.644   4.724
  258    HD1  PHE  34           1HD      PHE  34  11.221   3.716   6.889
  259    HD2  PHE  34           2HD      PHE  34  11.443  -0.569   6.701
  260    HE1  PHE  34           1HE      PHE  34  11.304   3.613   9.365
  261    HE2  PHE  34           2HE      PHE  34  11.529  -0.673   9.179
  262    HZ   PHE  34           HZ       PHE  34  11.459   1.419  10.510
  Start of MODEL    9
    1   1H    GLU   1          1HT       GLU   1  -9.575   6.614  -4.340
    2   2H    GLU   1          2HT       GLU   1  -8.176   5.679  -4.110
    3   3H    GLU   1          3HT       GLU   1  -8.075   7.376  -4.130
    4    HA   GLU   1           HA       GLU   1  -9.343   7.521  -2.080
    5   1HB   GLU   1          2HB       GLU   1  -9.894   4.796  -2.959
    6   2HB   GLU   1          1HB       GLU   1  -9.449   4.857  -1.253
    7   1HG   GLU   1          2HG       GLU   1 -11.560   5.519  -0.821
    8   2HG   GLU   1          1HG       GLU   1 -11.163   7.044  -1.616
    9    H    CYS   2           H        CYS   2  -8.506   5.989   0.053
   10    HA   CYS   2           HA       CYS   2  -5.554   5.664  -0.226
   11   1HB   CYS   2          2HB       CYS   2  -6.434   8.024   0.490
   12   2HB   CYS   2          1HB       CYS   2  -6.770   7.242   2.034
   13    H    GLY   3           H        GLY   3  -5.355   3.546   0.461
   14   1HA   GLY   3          2HA       GLY   3  -6.993   2.667   2.790
   15   2HA   GLY   3          1HA       GLY   3  -6.201   1.583   1.644
   16    H    LYS   4           H        LYS   4  -5.966   1.820   4.645
   17    HA   LYS   4           HA       LYS   4  -3.264   2.818   5.152
   18   1HB   LYS   4          2HB       LYS   4  -4.963   2.929   6.866
   19   2HB   LYS   4          1HB       LYS   4  -5.292   1.202   6.722
   20   1HG   LYS   4          2HG       LYS   4  -3.902   1.407   8.643
   21   2HG   LYS   4          1HG       LYS   4  -2.833   0.842   7.359
   22   1HD   LYS   4          2HD       LYS   4  -1.668   2.800   7.287
   23   2HD   LYS   4          1HD       LYS   4  -3.106   3.781   7.574
   24   1HE   LYS   4          2HE       LYS   4  -2.510   2.177   9.918
   25   2HE   LYS   4          1HE       LYS   4  -1.110   3.167   9.461
   26   1HZ   LYS   4          1HZ       LYS   4  -3.793   4.352   9.332
   27   2HZ   LYS   4          2HZ       LYS   4  -2.296   5.103   9.619
   28   3HZ   LYS   4          3HZ       LYS   4  -3.048   4.204  10.849
   29    H    PHE   5           H        PHE   5  -1.454   1.455   5.733
   30    HA   PHE   5           HA       PHE   5  -0.720  -0.620   4.102
   31   1HB   PHE   5          2HB       PHE   5   0.786   0.405   5.679
   32   2HB   PHE   5          1HB       PHE   5  -0.172  -0.161   7.046
   33    HD1  PHE   5           1HD      PHE   5   0.970  -1.805   8.229
   34    HD2  PHE   5           2HD      PHE   5   1.146  -1.829   3.943
   35    HE1  PHE   5           1HE      PHE   5   2.303  -3.893   8.295
   36    HE2  PHE   5           2HE      PHE   5   2.473  -3.923   4.007
   37    HZ   PHE   5           HZ       PHE   5   3.053  -4.951   6.183
   38    H    MET   6           H        MET   6  -0.816  -2.920   4.209
   39    HA   MET   6           HA       MET   6  -1.676  -5.037   4.791
   40   1HB   MET   6          2HB       MET   6  -3.122  -3.676   7.066
   41   2HB   MET   6          1HB       MET   6  -2.526  -5.330   6.985
   42   1HG   MET   6          2HG       MET   6  -0.182  -4.177   6.696
   43   2HG   MET   6          1HG       MET   6  -0.988  -2.793   7.433
   44   1HE   MET   6          1HE       MET   6  -0.048  -6.863   8.571
   45   2HE   MET   6          2HE       MET   6   1.246  -5.822   9.158
   46   3HE   MET   6          3HE       MET   6   0.724  -5.703   7.480
   47    H    TRP   7           H        TRP   7  -3.457  -2.343   3.902
   48    HA   TRP   7           HA       TRP   7  -6.156  -3.360   4.085
   49   1HB   TRP   7          2HB       TRP   7  -4.676  -1.135   2.783
   50   2HB   TRP   7          1HB       TRP   7  -6.224  -1.564   2.064
   51    HD1  TRP   7           HD       TRP   7  -5.323  -1.679   5.808
   52    HE1  TRP   7           1HE      TRP   7  -6.969  -0.122   7.065
   53    HE3  TRP   7           3HE      TRP   7  -7.844   0.316   1.862
   54    HZ2  TRP   7           2HZ      TRP   7  -9.048   1.704   6.476
   55    HZ3  TRP   7           3HZ      TRP   7  -9.662   1.972   2.229
   56    HH2  TRP   7           HH       TRP   7 -10.267   2.670   4.533
   57    H    LYS   8           H        LYS   8  -7.151  -4.852   2.786
   58    HA   LYS   8           HA       LYS   8  -5.867  -6.409   0.811
   59   1HB   LYS   8          2HB       LYS   8  -8.165  -6.566   2.115
   60   2HB   LYS   8          1HB       LYS   8  -8.800  -5.758   0.682
   61   1HG   LYS   8          2HG       LYS   8  -8.763  -7.692  -0.464
   62   2HG   LYS   8          1HG       LYS   8  -7.039  -7.879  -0.139
   63   1HD   LYS   8          2HD       LYS   8  -7.664  -8.774   2.145
   64   2HD   LYS   8          1HD       LYS   8  -9.343  -8.789   1.603
   65   1HE   LYS   8          2HE       LYS   8  -7.024 -10.347   0.410
   66   2HE   LYS   8          1HE       LYS   8  -8.481 -11.004   1.183
   67   1HZ   LYS   8          1HZ       LYS   8  -9.794  -9.783  -0.519
   68   2HZ   LYS   8          2HZ       LYS   8  -8.832 -11.027  -1.165
   69   3HZ   LYS   8          3HZ       LYS   8  -8.346  -9.407  -1.318
   70    H    CYS   9           H        CYS   9  -5.675  -6.154  -1.456
   71    HA   CYS   9           HA       CYS   9  -6.856  -3.706  -2.678
   72   1HB   CYS   9          2HB       CYS   9  -4.491  -3.394  -3.661
   73   2HB   CYS   9          1HB       CYS   9  -4.720  -2.989  -1.962
   74    H    LYS  10           H        LYS  10  -5.713  -3.802  -5.122
   75    HA   LYS  10           HA       LYS  10  -6.299  -6.547  -6.181
   76   1HB   LYS  10          2HB       LYS  10  -7.514  -5.481  -7.969
   77   2HB   LYS  10          1HB       LYS  10  -8.078  -4.739  -6.472
   78   1HG   LYS  10          2HG       LYS  10  -6.393  -2.905  -6.824
   79   2HG   LYS  10          1HG       LYS  10  -6.033  -3.608  -8.400
   80   1HD   LYS  10          2HD       LYS  10  -8.696  -3.472  -8.639
   81   2HD   LYS  10          1HD       LYS  10  -8.473  -2.156  -7.485
   82   1HE   LYS  10          2HE       LYS  10  -7.862  -0.824  -9.213
   83   2HE   LYS  10          1HE       LYS  10  -6.439  -1.859  -9.453
   84   1HZ   LYS  10          1HZ       LYS  10  -9.070  -1.992 -10.753
   85   2HZ   LYS  10          2HZ       LYS  10  -8.203  -3.434 -10.519
   86   3HZ   LYS  10          3HZ       LYS  10  -7.526  -2.171 -11.432
   87    H    ASN  11           H        ASN  11  -4.512  -3.517  -6.530
   88    HA   ASN  11           HA       ASN  11  -2.228  -4.880  -7.726
   89   1HB   ASN  11          2HB       ASN  11  -4.281  -4.313  -9.434
   90   2HB   ASN  11          1HB       ASN  11  -3.330  -2.832  -9.561
   91   1HD2  ASN  11          1HD2      ASN  11  -3.668  -5.143 -11.532
   92   2HD2  ASN  11          2HD2      ASN  11  -2.081  -5.638 -11.880
   93    H    SER  12           H        SER  12  -3.865  -1.738  -7.362
   94    HA   SER  12           HA       SER  12  -1.968  -0.532  -5.688
   95   1HB   SER  12          2HB       SER  12  -0.268  -0.786  -7.299
   96   2HB   SER  12          1HB       SER  12  -1.365  -0.457  -8.637
   97    HG   SER  12           HG       SER  12   0.162   1.242  -7.226
   98    H    ASN  13           H        ASN  13  -4.831  -0.475  -6.407
   99    HA   ASN  13           HA       ASN  13  -5.155   2.422  -7.106
  100   1HB   ASN  13          2HB       ASN  13  -6.580  -0.104  -7.725
  101   2HB   ASN  13          1HB       ASN  13  -7.614   1.286  -7.398
  102   1HD2  ASN  13          1HD2      ASN  13  -4.372   1.310  -8.939
  103   2HD2  ASN  13          2HD2      ASN  13  -4.909   1.950 -10.417
  104    H    ASP  14           H        ASP  14  -5.152   0.314  -4.516
  105    HA   ASP  14           HA       ASP  14  -7.119   2.003  -3.002
  106   1HB   ASP  14          2HB       ASP  14  -7.899  -0.294  -3.421
  107   2HB   ASP  14          1HB       ASP  14  -6.408  -0.938  -2.732
  108    H    CYS  15           H        CYS  15  -3.880   1.283  -3.374
  109    HA   CYS  15           HA       CYS  15  -3.085   1.156  -0.568
  110   1HB   CYS  15          2HB       CYS  15  -1.480   1.774  -3.066
  111   2HB   CYS  15          1HB       CYS  15  -0.863   1.144  -1.539
  112    H    CYS  16           H        CYS  16  -2.857   2.913   0.745
  113    HA   CYS  16           HA       CYS  16  -3.491   5.573   0.054
  114   1HB   CYS  16          2HB       CYS  16  -2.243   4.090   2.253
  115   2HB   CYS  16          1HB       CYS  16  -1.671   5.750   2.133
  116    H    LYS  17           H        LYS  17  -1.829   7.446   0.170
  117    HA   LYS  17           HA       LYS  17  -0.095   7.481  -1.992
  118   1HB   LYS  17          2HB       LYS  17  -0.754   9.469  -0.792
  119   2HB   LYS  17          1HB       LYS  17   0.021   8.895   0.685
  120   1HG   LYS  17          2HG       LYS  17   2.221   9.030  -0.378
  121   2HG   LYS  17          1HG       LYS  17   1.477   9.519  -1.901
  122   1HD   LYS  17          2HD       LYS  17   0.697  11.154   0.430
  123   2HD   LYS  17          1HD       LYS  17   2.399  11.274  -0.018
  124   1HE   LYS  17          2HE       LYS  17   1.091  12.964  -1.247
  125   2HE   LYS  17          1HE       LYS  17   1.692  11.741  -2.384
  126   1HZ   LYS  17          1HZ       LYS  17  -0.793  12.315  -2.453
  127   2HZ   LYS  17          2HZ       LYS  17  -0.908  11.405  -1.023
  128   3HZ   LYS  17          3HZ       LYS  17  -0.355  10.676  -2.455
  129    H    ASP  18           H        ASP  18   2.114   6.995  -2.300
  130    HA   ASP  18           HA       ASP  18   4.164   5.888  -1.930
  131   1HB   ASP  18          2HB       ASP  18   3.309   7.052   0.687
  132   2HB   ASP  18          1HB       ASP  18   4.673   5.934   0.699
  133    H    LEU  19           H        LEU  19   1.336   4.529  -1.426
  134    HA   LEU  19           HA       LEU  19   2.436   2.087  -0.070
  135   1HB   LEU  19          2HB       LEU  19   0.374   3.600   0.744
  136   2HB   LEU  19          1HB       LEU  19  -0.495   2.574  -0.397
  137    HG   LEU  19           HG       LEU  19   0.495   0.569   0.744
  138   1HD1  LEU  19          1HD1      LEU  19   2.336   2.209   1.767
  139   2HD1  LEU  19          2HD1      LEU  19   1.834   0.758   2.634
  140   3HD1  LEU  19          3HD1      LEU  19   1.162   2.326   3.078
  141   1HD2  LEU  19          1HD2      LEU  19  -1.594   0.722   1.629
  142   2HD2  LEU  19          2HD2      LEU  19  -1.454   2.461   1.874
  143   3HD2  LEU  19          3HD2      LEU  19  -0.781   1.349   3.062
  144    H    VAL  20           H        VAL  20   2.182   0.094  -1.161
  145    HA   VAL  20           HA       VAL  20   0.813   0.173  -3.824
  146    HB   VAL  20           HB       VAL  20   2.855  -1.163  -4.615
  147   1HG1  VAL  20          1HG1      VAL  20   3.636   1.598  -3.707
  148   2HG1  VAL  20          2HG1      VAL  20   2.338   1.392  -4.882
  149   3HG1  VAL  20          3HG1      VAL  20   3.961   0.805  -5.248
  150   1HG2  VAL  20          1HG2      VAL  20   3.682  -1.723  -2.349
  151   2HG2  VAL  20          2HG2      VAL  20   3.977  -0.012  -2.040
  152   3HG2  VAL  20          3HG2      VAL  20   4.904  -0.857  -3.279
  153    H    CYS  21           H        CYS  21  -0.238  -1.741  -4.356
  154    HA   CYS  21           HA       CYS  21  -0.765  -3.695  -2.287
  155   1HB   CYS  21          2HB       CYS  21  -2.311  -2.957  -4.112
  156   2HB   CYS  21          1HB       CYS  21  -1.260  -3.752  -5.284
  157    H    SER  22           H        SER  22   0.005  -5.899  -2.192
  158    HA   SER  22           HA       SER  22   2.065  -6.678  -4.198
  159   1HB   SER  22          2HB       SER  22   2.576  -6.879  -1.240
  160   2HB   SER  22          1HB       SER  22   3.742  -6.923  -2.559
  161    HG   SER  22           HG       SER  22   3.474  -4.761  -2.861
  162    H    SER  23           H        SER  23   1.748  -8.776  -4.763
  163    HA   SER  23           HA       SER  23  -0.232 -10.446  -3.578
  164   1HB   SER  23          2HB       SER  23   2.079 -11.524  -5.149
  165   2HB   SER  23          1HB       SER  23   0.363 -11.893  -5.302
  166    HG   SER  23           HG       SER  23   0.802 -10.589  -6.995
  167    H    ARG  24           H        ARG  24   3.138  -9.898  -2.915
  168    HA   ARG  24           HA       ARG  24   3.561 -12.354  -1.378
  169   1HB   ARG  24          2HB       ARG  24   5.262 -10.871  -2.640
  170   2HB   ARG  24          1HB       ARG  24   5.132  -9.767  -1.272
  171   1HG   ARG  24          2HG       ARG  24   5.567 -11.948   0.146
  172   2HG   ARG  24          1HG       ARG  24   6.265 -12.544  -1.361
  173   1HD   ARG  24          2HD       ARG  24   8.092 -11.194  -1.174
  174   2HD   ARG  24          1HD       ARG  24   7.116  -9.806  -0.652
  175    HE   ARG  24           HE       ARG  24   7.298 -10.565   1.612
  176   1HH1  ARG  24          1HH2      ARG  24   7.889 -13.202  -0.452
  177   2HH1  ARG  24          2HH2      ARG  24   8.994 -13.994   0.622
  178   1HH2  ARG  24          1HH1      ARG  24   9.041 -11.395   2.917
  179   2HH2  ARG  24          2HH1      ARG  24   9.646 -12.971   2.530
  180    H    TRP  25           H        TRP  25   3.135  -8.899  -0.650
  181    HA   TRP  25           HA       TRP  25   2.752  -9.461   2.222
  182   1HB   TRP  25          2HB       TRP  25   2.469  -6.893   0.635
  183   2HB   TRP  25          1HB       TRP  25   2.695  -7.047   2.373
  184    HD1  TRP  25           HD       TRP  25   4.594  -7.236  -0.909
  185    HE1  TRP  25           1HE      TRP  25   7.116  -7.379  -0.414
  186    HE3  TRP  25           3HE      TRP  25   4.478  -7.882   4.157
  187    HZ2  TRP  25           2HZ      TRP  25   8.837  -7.719   1.786
  188    HZ3  TRP  25           3HZ      TRP  25   6.593  -8.116   5.430
  189    HH2  TRP  25           HH       TRP  25   8.777  -8.035   4.253
  190    H    LYS  26           H        LYS  26   0.887  -9.844  -0.431
  191    HA   LYS  26           HA       LYS  26  -1.401  -9.737  -0.928
  192   1HB   LYS  26          2HB       LYS  26  -2.681 -10.862   0.963
  193   2HB   LYS  26          1HB       LYS  26  -1.276 -11.731   0.363
  194   1HG   LYS  26          2HG       LYS  26  -1.064 -11.880   2.695
  195   2HG   LYS  26          1HG       LYS  26   0.006 -10.560   2.300
  196   1HD   LYS  26          2HD       LYS  26  -1.419 -10.015   4.231
  197   2HD   LYS  26          1HD       LYS  26  -1.763  -8.941   2.873
  198   1HE   LYS  26          2HE       LYS  26  -3.930  -9.604   2.923
  199   2HE   LYS  26          1HE       LYS  26  -3.421 -11.276   2.619
  200   1HZ   LYS  26          1HZ       LYS  26  -2.691 -11.109   5.115
  201   2HZ   LYS  26          2HZ       LYS  26  -4.293 -11.502   4.705
  202   3HZ   LYS  26          3HZ       LYS  26  -3.897  -9.917   5.175
  203    H    TRP  27           H        TRP  27  -0.442  -7.217  -0.164
  204    HA   TRP  27           HA       TRP  27  -2.880  -5.845   0.267
  205   1HB   TRP  27          2HB       TRP  27  -2.561  -5.050   2.606
  206   2HB   TRP  27          1HB       TRP  27  -2.822  -6.782   2.505
  207    HD1  TRP  27           HD       TRP  27   0.554  -4.979   1.935
  208    HE1  TRP  27           1HE      TRP  27   2.220  -5.863   3.682
  209    HE3  TRP  27           3HE      TRP  27  -2.524  -7.924   4.714
  210    HZ2  TRP  27           2HZ      TRP  27   2.266  -7.546   5.938
  211    HZ3  TRP  27           3HZ      TRP  27  -1.647  -9.155   6.679
  212    HH2  TRP  27           HH       TRP  27   0.749  -8.973   7.299
  213    H    CYS  28           H        CYS  28  -2.473  -3.441   0.851
  214    HA   CYS  28           HA       CYS  28  -0.383  -2.429  -0.877
  215   1HB   CYS  28          2HB       CYS  28  -2.318  -1.206   1.110
  216   2HB   CYS  28          1HB       CYS  28  -1.279  -0.235   0.065
  217    H    VAL  29           H        VAL  29   1.699  -2.931  -0.068
  218    HA   VAL  29           HA       VAL  29   2.372  -2.586   2.753
  219    HB   VAL  29           HB       VAL  29   4.567  -3.321   1.996
  220   1HG1  VAL  29          1HG1      VAL  29   3.249  -5.219   2.098
  221   2HG1  VAL  29          2HG1      VAL  29   3.686  -5.252   0.390
  222   3HG1  VAL  29          3HG1      VAL  29   2.115  -4.625   0.886
  223   1HG2  VAL  29          1HG2      VAL  29   5.130  -3.463  -0.361
  224   2HG2  VAL  29          2HG2      VAL  29   4.594  -1.817  -0.023
  225   3HG2  VAL  29          3HG2      VAL  29   3.506  -2.952  -0.821
  226    H    LEU  30           H        LEU  30   4.362  -1.228   3.308
  227    HA   LEU  30           HA       LEU  30   3.855   1.547   2.613
  228   1HB   LEU  30          2HB       LEU  30   6.243   0.364   4.050
  229   2HB   LEU  30          1HB       LEU  30   5.534   1.962   4.273
  230    HG   LEU  30           HG       LEU  30   3.584  -0.179   4.703
  231   1HD1  LEU  30          1HD1      LEU  30   6.254  -0.373   5.942
  232   2HD1  LEU  30          2HD1      LEU  30   4.997  -1.598   5.779
  233   3HD1  LEU  30          3HD1      LEU  30   4.912  -0.416   7.086
  234   1HD2  LEU  30          1HD2      LEU  30   4.640   1.949   6.583
  235   2HD2  LEU  30          2HD2      LEU  30   3.071   1.149   6.647
  236   3HD2  LEU  30          3HD2      LEU  30   3.434   2.275   5.339
  237    H    ALA  31           H        ALA  31   4.540   2.371   0.668
  238    HA   ALA  31           HA       ALA  31   7.078   1.324  -0.517
  239   1HB   ALA  31          1HB       ALA  31   5.965   1.498  -2.489
  240   2HB   ALA  31          2HB       ALA  31   5.428   3.137  -2.118
  241   3HB   ALA  31          3HB       ALA  31   4.514   1.753  -1.518
  242    H    SER  32           H        SER  32   7.521   3.021   1.594
  243    HA   SER  32           HA       SER  32   7.557   5.791   1.252
  244   1HB   SER  32          2HB       SER  32   8.519   5.319   3.254
  245   2HB   SER  32          1HB       SER  32   9.050   3.733   2.701
  246    HG   SER  32           HG       SER  32  10.480   5.957   3.015
  247    HA   PRO  33           HA       PRO  33  11.637   5.564  -1.203
  248   1HB   PRO  33          2HB       PRO  33  12.648   3.108  -1.852
  249   2HB   PRO  33          1HB       PRO  33  13.029   3.937  -0.329
  250   1HG   PRO  33          2HG       PRO  33  11.126   1.716  -0.849
  251   2HG   PRO  33          1HG       PRO  33  12.166   2.010   0.552
  252   1HD   PRO  33          2HD       PRO  33   9.473   2.539   0.492
  253   2HD   PRO  33          1HD       PRO  33  10.629   3.350   1.570
  254    H    PHE  34           H        PHE  34   9.745   6.140  -2.664
  255    HA   PHE  34           HA       PHE  34   8.522   5.903  -4.683
  256   1HB   PHE  34          2HB       PHE  34  11.333   5.144  -4.957
  257   2HB   PHE  34          1HB       PHE  34  10.321   4.423  -6.209
  258    HD1  PHE  34           1HD      PHE  34  12.406   7.014  -5.883
  259    HD2  PHE  34           2HD      PHE  34   8.233   6.368  -6.667
  260    HE1  PHE  34           1HE      PHE  34  12.285   9.201  -7.047
  261    HE2  PHE  34           2HE      PHE  34   8.112   8.552  -7.832
  262    HZ   PHE  34           HZ       PHE  34  10.138   9.970  -8.022
  Start of MODEL   10
    1   1H    GLU   1          1HT       GLU   1  -9.174   4.303  -3.957
    2   2H    GLU   1          2HT       GLU   1 -10.624   4.348  -3.074
    3   3H    GLU   1          3HT       GLU   1  -9.290   3.480  -2.479
    4    HA   GLU   1           HA       GLU   1  -8.916   6.345  -2.982
    5   1HB   GLU   1          2HB       GLU   1 -10.054   6.904  -0.921
    6   2HB   GLU   1          1HB       GLU   1 -11.179   5.977  -1.916
    7   1HG   GLU   1          2HG       GLU   1 -10.155   3.914  -0.641
    8   2HG   GLU   1          1HG       GLU   1  -9.697   5.130   0.552
    9    H    CYS   2           H        CYS   2  -8.093   6.880  -0.402
   10    HA   CYS   2           HA       CYS   2  -5.476   5.636  -0.309
   11   1HB   CYS   2          2HB       CYS   2  -6.412   7.987   0.442
   12   2HB   CYS   2          1HB       CYS   2  -6.733   7.152   1.962
   13    H    GLY   3           H        GLY   3  -5.011   3.687   0.647
   14   1HA   GLY   3          2HA       GLY   3  -6.891   2.704   2.756
   15   2HA   GLY   3          1HA       GLY   3  -6.070   1.630   1.622
   16    H    LYS   4           H        LYS   4  -5.964   1.803   4.631
   17    HA   LYS   4           HA       LYS   4  -3.267   2.731   5.279
   18   1HB   LYS   4          2HB       LYS   4  -5.677   2.035   6.592
   19   2HB   LYS   4          1HB       LYS   4  -4.449   0.920   7.192
   20   1HG   LYS   4          2HG       LYS   4  -3.437   3.649   6.978
   21   2HG   LYS   4          1HG       LYS   4  -4.832   3.542   8.053
   22   1HD   LYS   4          2HD       LYS   4  -2.546   1.581   8.247
   23   2HD   LYS   4          1HD       LYS   4  -2.505   3.129   9.093
   24   1HE   LYS   4          2HE       LYS   4  -3.929   2.373  10.690
   25   2HE   LYS   4          1HE       LYS   4  -5.062   1.758   9.470
   26   1HZ   LYS   4          1HZ       LYS   4  -4.266  -0.180  10.420
   27   2HZ   LYS   4          2HZ       LYS   4  -2.697   0.434  10.633
   28   3HZ   LYS   4          3HZ       LYS   4  -3.238  -0.003   9.083
   29    H    PHE   5           H        PHE   5  -1.504   1.329   5.855
   30    HA   PHE   5           HA       PHE   5  -0.784  -0.750   4.225
   31   1HB   PHE   5          2HB       PHE   5   0.652   0.301   5.909
   32   2HB   PHE   5          1HB       PHE   5  -0.281  -0.453   7.203
   33    HD1  PHE   5           1HD      PHE   5   1.226  -1.620   3.965
   34    HD2  PHE   5           2HD      PHE   5   0.819  -2.248   8.190
   35    HE1  PHE   5           1HE      PHE   5   2.631  -3.658   3.799
   36    HE2  PHE   5           2HE      PHE   5   2.231  -4.281   8.025
   37    HZ   PHE   5           HZ       PHE   5   3.135  -4.984   5.823
   38    H    MET   6           H        MET   6  -0.913  -3.055   4.326
   39    HA   MET   6           HA       MET   6  -1.825  -5.160   4.884
   40   1HB   MET   6          2HB       MET   6  -3.293  -3.775   7.130
   41   2HB   MET   6          1HB       MET   6  -2.723  -5.440   7.058
   42   1HG   MET   6          2HG       MET   6  -0.355  -4.319   6.809
   43   2HG   MET   6          1HG       MET   6  -1.154  -2.929   7.543
   44   1HE   MET   6          1HE       MET   6   0.419  -6.639   9.465
   45   2HE   MET   6          2HE       MET   6   0.952  -5.688   8.081
   46   3HE   MET   6          3HE       MET   6  -0.415  -6.786   7.911
   47    H    TRP   7           H        TRP   7  -3.540  -2.449   3.938
   48    HA   TRP   7           HA       TRP   7  -6.257  -3.431   4.079
   49   1HB   TRP   7          2HB       TRP   7  -4.726  -1.233   2.780
   50   2HB   TRP   7          1HB       TRP   7  -6.289  -1.635   2.072
   51    HD1  TRP   7           HD       TRP   7  -5.442  -1.833   5.816
   52    HE1  TRP   7           1HE      TRP   7  -7.018  -0.213   7.076
   53    HE3  TRP   7           3HE      TRP   7  -7.775   0.385   1.869
   54    HZ2  TRP   7           2HZ      TRP   7  -8.978   1.739   6.493
   55    HZ3  TRP   7           3HZ      TRP   7  -9.499   2.133   2.243
   56    HH2  TRP   7           HH       TRP   7 -10.105   2.815   4.552
   57    H    LYS   8           H        LYS   8  -7.209  -4.952   2.795
   58    HA   LYS   8           HA       LYS   8  -5.883  -6.474   0.806
   59   1HB   LYS   8          2HB       LYS   8  -8.780  -5.882   1.454
   60   2HB   LYS   8          1HB       LYS   8  -8.327  -7.033   0.198
   61   1HG   LYS   8          2HG       LYS   8  -6.740  -7.912   2.200
   62   2HG   LYS   8          1HG       LYS   8  -8.078  -7.259   3.147
   63   1HD   LYS   8          2HD       LYS   8  -8.964  -9.339   2.759
   64   2HD   LYS   8          1HD       LYS   8  -9.485  -8.572   1.258
   65   1HE   LYS   8          2HE       LYS   8  -8.378 -10.303   0.248
   66   2HE   LYS   8          1HE       LYS   8  -6.915  -9.375   0.633
   67   1HZ   LYS   8          1HZ       LYS   8  -7.280 -10.473   2.964
   68   2HZ   LYS   8          2HZ       LYS   8  -6.463 -11.313   1.734
   69   3HZ   LYS   8          3HZ       LYS   8  -8.096 -11.652   2.058
   70    H    CYS   9           H        CYS   9  -5.466  -6.025  -1.338
   71    HA   CYS   9           HA       CYS   9  -6.999  -3.825  -2.659
   72   1HB   CYS   9          2HB       CYS   9  -4.664  -3.227  -3.611
   73   2HB   CYS   9          1HB       CYS   9  -4.992  -2.798  -1.933
   74    H    LYS  10           H        LYS  10  -5.881  -3.838  -5.112
   75    HA   LYS  10           HA       LYS  10  -6.171  -6.670  -6.060
   76   1HB   LYS  10          2HB       LYS  10  -7.280  -5.732  -7.990
   77   2HB   LYS  10          1HB       LYS  10  -7.995  -4.974  -6.568
   78   1HG   LYS  10          2HG       LYS  10  -6.392  -3.063  -6.858
   79   2HG   LYS  10          1HG       LYS  10  -5.863  -3.798  -8.373
   80   1HD   LYS  10          2HD       LYS  10  -8.787  -3.545  -8.118
   81   2HD   LYS  10          1HD       LYS  10  -7.931  -2.003  -8.156
   82   1HE   LYS  10          2HE       LYS  10  -7.864  -2.244 -10.416
   83   2HE   LYS  10          1HE       LYS  10  -6.689  -3.547 -10.148
   84   1HZ   LYS  10          1HZ       LYS  10  -9.569  -4.065  -9.805
   85   2HZ   LYS  10          2HZ       LYS  10  -8.321  -5.157 -10.180
   86   3HZ   LYS  10          3HZ       LYS  10  -8.897  -4.082 -11.363
   87    H    ASN  11           H        ASN  11  -4.447  -3.612  -6.418
   88    HA   ASN  11           HA       ASN  11  -2.032  -4.918  -7.348
   89   1HB   ASN  11          2HB       ASN  11  -4.108  -4.112  -9.231
   90   2HB   ASN  11          1HB       ASN  11  -2.567  -3.331  -9.581
   91   1HD2  ASN  11          1HD2      ASN  11  -4.133  -5.782 -10.799
   92   2HD2  ASN  11          2HD2      ASN  11  -2.923  -6.964 -10.939
   93    H    SER  12           H        SER  12  -3.913  -1.910  -7.312
   94    HA   SER  12           HA       SER  12  -2.111  -0.413  -5.762
   95   1HB   SER  12          2HB       SER  12  -1.421  -0.786  -8.600
   96   2HB   SER  12          1HB       SER  12  -1.380   0.892  -8.068
   97    HG   SER  12           HG       SER  12   0.269  -1.204  -7.448
   98    H    ASN  13           H        ASN  13  -4.991  -0.695  -6.433
   99    HA   ASN  13           HA       ASN  13  -5.610   2.086  -7.359
  100   1HB   ASN  13          2HB       ASN  13  -6.601   0.381  -8.731
  101   2HB   ASN  13          1HB       ASN  13  -7.147  -0.523  -7.318
  102   1HD2  ASN  13          1HD2      ASN  13  -7.752   2.414  -9.237
  103   2HD2  ASN  13          2HD2      ASN  13  -9.295   2.715  -8.600
  104    H    ASP  14           H        ASP  14  -5.191   0.433  -4.527
  105    HA   ASP  14           HA       ASP  14  -7.163   2.183  -3.113
  106   1HB   ASP  14          2HB       ASP  14  -7.531  -0.503  -3.575
  107   2HB   ASP  14          1HB       ASP  14  -6.770  -0.512  -1.984
  108    H    CYS  15           H        CYS  15  -3.977   1.338  -3.454
  109    HA   CYS  15           HA       CYS  15  -3.190   1.195  -0.644
  110   1HB   CYS  15          2HB       CYS  15  -1.641   1.670  -3.210
  111   2HB   CYS  15          1HB       CYS  15  -0.937   1.219  -1.657
  112    H    CYS  16           H        CYS  16  -2.754   2.922   0.664
  113    HA   CYS  16           HA       CYS  16  -3.335   5.619  -0.039
  114   1HB   CYS  16          2HB       CYS  16  -2.148   4.081   2.180
  115   2HB   CYS  16          1HB       CYS  16  -1.618   5.760   2.097
  116    H    LYS  17           H        LYS  17  -1.604   7.420   0.156
  117    HA   LYS  17           HA       LYS  17   0.220   7.362  -1.950
  118   1HB   LYS  17          2HB       LYS  17  -0.664   9.266  -0.439
  119   2HB   LYS  17          1HB       LYS  17   0.675   8.858   0.633
  120   1HG   LYS  17          2HG       LYS  17   1.706   8.995  -2.026
  121   2HG   LYS  17          1HG       LYS  17   0.735  10.441  -1.751
  122   1HD   LYS  17          2HD       LYS  17   2.076  10.278   0.617
  123   2HD   LYS  17          1HD       LYS  17   3.278   9.613  -0.489
  124   1HE   LYS  17          2HE       LYS  17   2.901  11.639  -1.974
  125   2HE   LYS  17          1HE       LYS  17   1.935  12.329  -0.654
  126   1HZ   LYS  17          1HZ       LYS  17   4.200  13.019  -0.370
  127   2HZ   LYS  17          2HZ       LYS  17   4.762  11.422  -0.507
  128   3HZ   LYS  17          3HZ       LYS  17   3.837  11.887   0.840
  129    H    ASP  18           H        ASP  18   2.502   6.948  -2.051
  130    HA   ASP  18           HA       ASP  18   4.486   5.782  -1.509
  131   1HB   ASP  18          2HB       ASP  18   3.392   6.897   1.050
  132   2HB   ASP  18          1HB       ASP  18   4.769   5.798   1.140
  133    H    LEU  19           H        LEU  19   1.628   4.476  -1.380
  134    HA   LEU  19           HA       LEU  19   2.535   1.966  -0.016
  135   1HB   LEU  19          2HB       LEU  19   0.628   3.508   0.953
  136   2HB   LEU  19          1HB       LEU  19  -0.349   2.762  -0.312
  137    HG   LEU  19           HG       LEU  19   0.443   0.510   0.564
  138   1HD1  LEU  19          1HD1      LEU  19   2.362   1.704   1.858
  139   2HD1  LEU  19          2HD1      LEU  19   1.535   0.363   2.649
  140   3HD1  LEU  19          3HD1      LEU  19   1.132   2.025   3.079
  141   1HD2  LEU  19          1HD2      LEU  19  -1.174   2.350   2.354
  142   2HD2  LEU  19          2HD2      LEU  19  -1.108   0.598   2.546
  143   3HD2  LEU  19          3HD2      LEU  19  -1.795   1.301   1.080
  144    H    VAL  20           H        VAL  20   2.356   0.106  -1.267
  145    HA   VAL  20           HA       VAL  20   0.798   0.285  -3.818
  146    HB   VAL  20           HB       VAL  20   2.729  -0.785  -4.939
  147   1HG1  VAL  20          1HG1      VAL  20   3.450   1.702  -3.358
  148   2HG1  VAL  20          2HG1      VAL  20   2.586   1.674  -4.895
  149   3HG1  VAL  20          3HG1      VAL  20   4.269   1.150  -4.819
  150   1HG2  VAL  20          1HG2      VAL  20   4.911  -0.714  -3.527
  151   2HG2  VAL  20          2HG2      VAL  20   3.788  -2.043  -3.243
  152   3HG2  VAL  20          3HG2      VAL  20   3.831  -0.673  -2.133
  153    H    CYS  21           H        CYS  21  -0.348  -1.574  -4.272
  154    HA   CYS  21           HA       CYS  21  -0.757  -3.591  -2.287
  155   1HB   CYS  21          2HB       CYS  21  -2.269  -2.798  -4.166
  156   2HB   CYS  21          1HB       CYS  21  -1.270  -3.740  -5.270
  157    H    SER  22           H        SER  22   0.025  -5.788  -2.198
  158    HA   SER  22           HA       SER  22   2.073  -6.560  -4.218
  159   1HB   SER  22          2HB       SER  22   2.860  -5.299  -2.008
  160   2HB   SER  22          1HB       SER  22   2.710  -6.916  -1.324
  161    HG   SER  22           HG       SER  22   4.042  -6.501  -3.771
  162    H    SER  23           H        SER  23   1.802  -8.658  -4.772
  163    HA   SER  23           HA       SER  23  -0.167 -10.353  -3.611
  164   1HB   SER  23          2HB       SER  23   1.372 -10.248  -5.894
  165   2HB   SER  23          1HB       SER  23   2.072 -11.622  -5.045
  166    HG   SER  23           HG       SER  23  -0.713 -11.259  -5.449
  167    H    ARG  24           H        ARG  24   3.181  -9.740  -2.896
  168    HA   ARG  24           HA       ARG  24   3.617 -12.171  -1.324
  169   1HB   ARG  24          2HB       ARG  24   5.298 -10.617  -2.577
  170   2HB   ARG  24          1HB       ARG  24   5.153  -9.571  -1.164
  171   1HG   ARG  24          2HG       ARG  24   5.608 -11.797   0.169
  172   2HG   ARG  24          1HG       ARG  24   6.306 -12.336  -1.360
  173   1HD   ARG  24          2HD       ARG  24   8.090 -10.897  -1.200
  174   2HD   ARG  24          1HD       ARG  24   7.120  -9.622  -0.437
  175    HE   ARG  24           HE       ARG  24   7.319 -10.805   1.688
  176   1HH1  ARG  24          1HH2      ARG  24  10.178 -10.616   0.763
  177   2HH1  ARG  24          2HH2      ARG  24  10.733 -12.239   0.997
  178   1HH2  ARG  24          1HH1      ARG  24   7.545 -13.576   1.254
  179   2HH2  ARG  24          2HH1      ARG  24   9.243 -13.916   1.275
  180    H    TRP  25           H        TRP  25   3.002  -8.729  -0.689
  181    HA   TRP  25           HA       TRP  25   2.624  -9.249   2.195
  182   1HB   TRP  25          2HB       TRP  25   2.277  -6.748   0.521
  183   2HB   TRP  25          1HB       TRP  25   2.345  -6.823   2.275
  184    HD1  TRP  25           HD       TRP  25   4.552  -7.048  -0.809
  185    HE1  TRP  25           1HE      TRP  25   7.022  -6.989  -0.078
  186    HE3  TRP  25           3HE      TRP  25   4.001  -7.423   4.262
  187    HZ2  TRP  25           2HZ      TRP  25   8.545  -7.088   2.284
  188    HZ3  TRP  25           3HZ      TRP  25   6.001  -7.440   5.730
  189    HH2  TRP  25           HH       TRP  25   8.275  -7.272   4.751
  190    H    LYS  26           H        LYS  26   0.809  -9.783  -0.473
  191    HA   LYS  26           HA       LYS  26  -1.491  -9.795  -0.965
  192   1HB   LYS  26          2HB       LYS  26  -2.649 -10.648   1.334
  193   2HB   LYS  26          1HB       LYS  26  -1.713 -11.695   0.279
  194   1HG   LYS  26          2HG       LYS  26  -0.721 -12.149   2.316
  195   2HG   LYS  26          1HG       LYS  26   0.316 -10.847   1.787
  196   1HD   LYS  26          2HD       LYS  26  -0.237  -9.763   3.688
  197   2HD   LYS  26          1HD       LYS  26  -1.862  -9.586   3.025
  198   1HE   LYS  26          2HE       LYS  26  -2.383 -10.737   4.976
  199   2HE   LYS  26          1HE       LYS  26  -2.062 -12.123   3.918
  200   1HZ   LYS  26          1HZ       LYS  26   0.313 -10.937   5.038
  201   2HZ   LYS  26          2HZ       LYS  26  -0.144 -12.571   4.948
  202   3HZ   LYS  26          3HZ       LYS  26  -0.723 -11.593   6.210
  203    H    TRP  27           H        TRP  27  -0.532  -7.210  -0.178
  204    HA   TRP  27           HA       TRP  27  -2.990  -5.835   0.108
  205   1HB   TRP  27          2HB       TRP  27  -2.790  -5.047   2.472
  206   2HB   TRP  27          1HB       TRP  27  -3.085  -6.773   2.345
  207    HD1  TRP  27           HD       TRP  27   0.316  -4.925   2.046
  208    HE1  TRP  27           1HE      TRP  27   1.899  -5.929   3.811
  209    HE3  TRP  27           3HE      TRP  27  -2.856  -8.115   4.425
  210    HZ2  TRP  27           2HZ      TRP  27   1.853  -7.770   5.930
  211    HZ3  TRP  27           3HZ      TRP  27  -2.057  -9.482   6.328
  212    HH2  TRP  27           HH       TRP  27   0.296  -9.318   7.089
  213    H    CYS  28           H        CYS  28  -2.590  -3.441   0.756
  214    HA   CYS  28           HA       CYS  28  -0.447  -2.401  -0.849
  215   1HB   CYS  28          2HB       CYS  28  -2.265  -1.206   1.269
  216   2HB   CYS  28          1HB       CYS  28  -1.251  -0.246   0.191
  217    H    VAL  29           H        VAL  29   1.682  -2.156  -0.266
  218    HA   VAL  29           HA       VAL  29   2.369  -2.279   2.637
  219    HB   VAL  29           HB       VAL  29   4.074  -2.831   0.246
  220   1HG1  VAL  29          1HG1      VAL  29   5.441  -2.417   2.145
  221   2HG1  VAL  29          2HG1      VAL  29   5.352  -4.172   2.000
  222   3HG1  VAL  29          3HG1      VAL  29   4.367  -3.336   3.198
  223   1HG2  VAL  29          1HG2      VAL  29   3.029  -5.036   1.942
  224   2HG2  VAL  29          2HG2      VAL  29   3.390  -5.031   0.215
  225   3HG2  VAL  29          3HG2      VAL  29   1.898  -4.302   0.807
  226    H    LEU  30           H        LEU  30   4.425  -1.042   3.179
  227    HA   LEU  30           HA       LEU  30   4.143   1.727   2.419
  228   1HB   LEU  30          2HB       LEU  30   6.410   0.260   3.806
  229   2HB   LEU  30          1HB       LEU  30   6.077   1.990   3.904
  230    HG   LEU  30           HG       LEU  30   4.193  -0.203   4.825
  231   1HD1  LEU  30          1HD1      LEU  30   4.742   0.583   7.088
  232   2HD1  LEU  30          2HD1      LEU  30   5.867   1.764   6.418
  233   3HD1  LEU  30          3HD1      LEU  30   6.200   0.040   6.261
  234   1HD2  LEU  30          1HD2      LEU  30   3.331   2.102   5.973
  235   2HD2  LEU  30          2HD2      LEU  30   2.712   1.501   4.434
  236   3HD2  LEU  30          3HD2      LEU  30   3.972   2.735   4.456
  237    H    ALA  31           H        ALA  31   4.359   0.866  -0.022
  238    HA   ALA  31           HA       ALA  31   5.683   0.694  -1.986
  239   1HB   ALA  31          1HB       ALA  31   6.165   3.083  -0.414
  240   2HB   ALA  31          2HB       ALA  31   6.038   2.920  -2.165
  241   3HB   ALA  31          3HB       ALA  31   7.591   2.674  -1.368
  242    H    SER  32           H        SER  32   6.465  -1.343  -0.317
  243    HA   SER  32           HA       SER  32   9.226  -1.341   0.464
  244   1HB   SER  32          2HB       SER  32   8.137  -3.119   1.400
  245   2HB   SER  32          1HB       SER  32   6.989  -3.234   0.069
  246    HG   SER  32           HG       SER  32   8.239  -4.651  -0.863
  247    HA   PRO  33           HA       PRO  33  10.053  -3.352  -3.787
  248   1HB   PRO  33          2HB       PRO  33   8.029  -3.394  -5.622
  249   2HB   PRO  33          1HB       PRO  33   8.276  -4.684  -4.430
  250   1HG   PRO  33          2HG       PRO  33   6.296  -2.478  -4.446
  251   2HG   PRO  33          1HG       PRO  33   6.140  -4.135  -3.845
  252   1HD   PRO  33          2HD       PRO  33   6.552  -1.909  -2.265
  253   2HD   PRO  33          1HD       PRO  33   6.915  -3.580  -1.782
  254    H    PHE  34           H        PHE  34  10.853  -0.953  -3.427
  255    HA   PHE  34           HA       PHE  34  10.494   0.466  -5.981
  256   1HB   PHE  34          2HB       PHE  34   8.679   1.028  -4.085
  257   2HB   PHE  34          1HB       PHE  34   9.967   2.103  -3.539
  258    HD1  PHE  34           1HD      PHE  34  11.135   3.513  -5.465
  259    HD2  PHE  34           2HD      PHE  34   7.203   1.802  -5.714
  260    HE1  PHE  34           1HE      PHE  34  10.548   5.126  -7.256
  261    HE2  PHE  34           2HE      PHE  34   6.615   3.415  -7.504
  262    HZ   PHE  34           HZ       PHE  34   8.287   5.077  -8.275
  Start of MODEL   11
    1   1H    GLU   1          1HT       GLU   1  -7.895   5.300  -4.748
    2   2H    GLU   1          2HT       GLU   1  -9.200   4.361  -4.197
    3   3H    GLU   1          3HT       GLU   1  -7.610   3.955  -3.757
    4    HA   GLU   1           HA       GLU   1  -8.405   6.647  -3.027
    5   1HB   GLU   1          2HB       GLU   1  -9.792   5.730  -1.138
    6   2HB   GLU   1          1HB       GLU   1 -10.515   5.480  -2.728
    7   1HG   GLU   1          2HG       GLU   1  -9.803   3.184  -2.782
    8   2HG   GLU   1          1HG       GLU   1  -8.795   3.404  -1.351
    9    H    CYS   2           H        CYS   2  -8.077   6.381  -0.342
   10    HA   CYS   2           HA       CYS   2  -5.428   5.002  -0.028
   11   1HB   CYS   2          2HB       CYS   2  -4.977   7.323  -0.203
   12   2HB   CYS   2          1HB       CYS   2  -6.414   7.757   0.718
   13    H    GLY   3           H        GLY   3  -5.711   3.373   1.443
   14   1HA   GLY   3          2HA       GLY   3  -7.638   3.838   3.685
   15   2HA   GLY   3          1HA       GLY   3  -7.247   2.244   3.039
   16    H    LYS   4           H        LYS   4  -5.978   1.133   4.434
   17    HA   LYS   4           HA       LYS   4  -3.713   2.587   5.740
   18   1HB   LYS   4          2HB       LYS   4  -6.071   1.794   6.971
   19   2HB   LYS   4          1HB       LYS   4  -4.958   0.477   7.349
   20   1HG   LYS   4          2HG       LYS   4  -3.879   3.233   7.622
   21   2HG   LYS   4          1HG       LYS   4  -5.084   2.742   8.814
   22   1HD   LYS   4          2HD       LYS   4  -3.669   1.273   9.810
   23   2HD   LYS   4          1HD       LYS   4  -3.045   0.689   8.267
   24   1HE   LYS   4          2HE       LYS   4  -1.676   2.784   8.075
   25   2HE   LYS   4          1HE       LYS   4  -2.220   3.239   9.701
   26   1HZ   LYS   4          1HZ       LYS   4  -0.370   1.160   8.896
   27   2HZ   LYS   4          2HZ       LYS   4  -1.509   0.680  10.062
   28   3HZ   LYS   4          3HZ       LYS   4  -0.482   1.998  10.365
   29    H    PHE   5           H        PHE   5  -1.851   1.284   6.048
   30    HA   PHE   5           HA       PHE   5  -1.099  -0.646   4.251
   31   1HB   PHE   5          2HB       PHE   5   0.372   0.394   5.903
   32   2HB   PHE   5          1HB       PHE   5  -0.455  -0.455   7.208
   33    HD1  PHE   5           1HD      PHE   5  -0.228  -2.915   7.458
   34    HD2  PHE   5           2HD      PHE   5   1.968  -0.736   4.477
   35    HE1  PHE   5           1HE      PHE   5   1.295  -4.849   7.164
   36    HE2  PHE   5           2HE      PHE   5   3.492  -2.667   4.191
   37    HZ   PHE   5           HZ       PHE   5   3.155  -4.723   5.526
   38    H    MET   6           H        MET   6  -0.975  -2.990   4.351
   39    HA   MET   6           HA       MET   6  -1.728  -5.166   4.883
   40   1HB   MET   6          2HB       MET   6  -1.852  -3.772   7.245
   41   2HB   MET   6          1HB       MET   6  -3.529  -4.281   7.047
   42   1HG   MET   6          2HG       MET   6  -2.920  -6.585   6.924
   43   2HG   MET   6          1HG       MET   6  -1.209  -6.195   6.737
   44   1HE   MET   6          1HE       MET   6   0.179  -4.803   9.080
   45   2HE   MET   6          2HE       MET   6   0.276  -6.291   8.142
   46   3HE   MET   6          3HE       MET   6   0.251  -6.369   9.902
   47    H    TRP   7           H        TRP   7  -3.638  -2.556   3.963
   48    HA   TRP   7           HA       TRP   7  -6.274  -3.707   4.004
   49   1HB   TRP   7          2HB       TRP   7  -4.833  -1.443   2.725
   50   2HB   TRP   7          1HB       TRP   7  -6.319  -1.961   1.934
   51    HD1  TRP   7           HD       TRP   7  -5.658  -2.011   5.722
   52    HE1  TRP   7           1HE      TRP   7  -7.420  -0.496   6.859
   53    HE3  TRP   7           3HE      TRP   7  -7.967  -0.086   1.606
   54    HZ2  TRP   7           2HZ      TRP   7  -9.502   1.272   6.131
   55    HZ3  TRP   7           3HZ      TRP   7  -9.847   1.520   1.852
   56    HH2  TRP   7           HH       TRP   7 -10.618   2.203   4.112
   57    H    LYS   8           H        LYS   8  -7.263  -5.090   2.562
   58    HA   LYS   8           HA       LYS   8  -5.646  -6.583   0.661
   59   1HB   LYS   8          2HB       LYS   8  -7.767  -7.769   0.299
   60   2HB   LYS   8          1HB       LYS   8  -7.535  -7.486   2.026
   61   1HG   LYS   8          2HG       LYS   8  -9.620  -6.592   1.965
   62   2HG   LYS   8          1HG       LYS   8  -8.833  -5.190   1.239
   63   1HD   LYS   8          2HD       LYS   8  -9.957  -5.530  -0.678
   64   2HD   LYS   8          1HD       LYS   8  -9.260  -7.145  -0.811
   65   1HE   LYS   8          2HE       LYS   8 -11.049  -8.006   0.715
   66   2HE   LYS   8          1HE       LYS   8 -11.786  -6.391   0.702
   67   1HZ   LYS   8          1HZ       LYS   8 -11.365  -8.229  -1.581
   68   2HZ   LYS   8          2HZ       LYS   8 -11.630  -6.567  -1.810
   69   3HZ   LYS   8          3HZ       LYS   8 -12.816  -7.523  -1.057
   70    H    CYS   9           H        CYS   9  -5.239  -5.928  -1.404
   71    HA   CYS   9           HA       CYS   9  -7.262  -4.246  -2.815
   72   1HB   CYS   9          2HB       CYS   9  -4.982  -3.177  -3.726
   73   2HB   CYS   9          1HB       CYS   9  -5.740  -2.600  -2.245
   74    H    LYS  10           H        LYS  10  -6.226  -4.018  -5.248
   75    HA   LYS  10           HA       LYS  10  -5.870  -6.836  -6.151
   76   1HB   LYS  10          2HB       LYS  10  -6.793  -6.041  -8.215
   77   2HB   LYS  10          1HB       LYS  10  -7.734  -5.274  -6.937
   78   1HG   LYS  10          2HG       LYS  10  -6.189  -3.277  -7.112
   79   2HG   LYS  10          1HG       LYS  10  -5.479  -4.034  -8.539
   80   1HD   LYS  10          2HD       LYS  10  -7.455  -3.836  -9.790
   81   2HD   LYS  10          1HD       LYS  10  -8.460  -3.666  -8.351
   82   1HE   LYS  10          2HE       LYS  10  -8.385  -1.434  -8.895
   83   2HE   LYS  10          1HE       LYS  10  -6.809  -1.496  -8.084
   84   1HZ   LYS  10          1HZ       LYS  10  -6.166  -2.464 -10.470
   85   2HZ   LYS  10          2HZ       LYS  10  -6.077  -0.809 -10.095
   86   3HZ   LYS  10          3HZ       LYS  10  -7.424  -1.424 -10.929
   87    H    ASN  11           H        ASN  11  -4.454  -3.591  -6.520
   88    HA   ASN  11           HA       ASN  11  -1.854  -4.834  -7.163
   89   1HB   ASN  11          2HB       ASN  11  -3.721  -3.743  -9.112
   90   2HB   ASN  11          1HB       ASN  11  -2.163  -2.921  -9.176
   91   1HD2  ASN  11          1HD2      ASN  11  -3.122  -4.737 -11.252
   92   2HD2  ASN  11          2HD2      ASN  11  -2.067  -6.067 -11.284
   93    H    SER  12           H        SER  12  -3.714  -1.813  -6.780
   94    HA   SER  12           HA       SER  12  -2.019  -0.648  -4.871
   95   1HB   SER  12          2HB       SER  12  -0.180  -0.669  -6.306
   96   2HB   SER  12          1HB       SER  12  -1.171  -0.372  -7.731
   97    HG   SER  12           HG       SER  12  -0.011   1.494  -7.121
   98    H    ASN  13           H        ASN  13  -4.317  -0.235  -7.448
   99    HA   ASN  13           HA       ASN  13  -4.772   2.565  -7.337
  100   1HB   ASN  13          2HB       ASN  13  -5.983   0.157  -8.376
  101   2HB   ASN  13          1HB       ASN  13  -7.230   1.238  -7.752
  102   1HD2  ASN  13          1HD2      ASN  13  -4.096   1.835  -9.451
  103   2HD2  ASN  13          2HD2      ASN  13  -4.771   2.831 -10.647
  104    H    ASP  14           H        ASP  14  -5.306   0.195  -4.921
  105    HA   ASP  14           HA       ASP  14  -7.352   1.916  -3.568
  106   1HB   ASP  14          2HB       ASP  14  -7.337  -0.748  -4.137
  107   2HB   ASP  14          1HB       ASP  14  -6.659  -0.760  -2.508
  108    H    CYS  15           H        CYS  15  -4.021   1.177  -3.479
  109    HA   CYS  15           HA       CYS  15  -3.664   1.316  -0.587
  110   1HB   CYS  15          2HB       CYS  15  -1.779   1.569  -2.953
  111   2HB   CYS  15          1HB       CYS  15  -1.275   1.339  -1.277
  112    H    CYS  16           H        CYS  16  -2.360   3.050   0.421
  113    HA   CYS  16           HA       CYS  16  -3.351   5.707  -0.305
  114   1HB   CYS  16          2HB       CYS  16  -1.653   4.453   1.843
  115   2HB   CYS  16          1HB       CYS  16  -1.784   6.206   1.727
  116    H    LYS  17           H        LYS  17  -1.629   7.545  -0.213
  117    HA   LYS  17           HA       LYS  17   0.093   7.422  -2.428
  118   1HB   LYS  17          2HB       LYS  17  -0.792   9.436  -1.204
  119   2HB   LYS  17          1HB       LYS  17   0.373   9.105   0.080
  120   1HG   LYS  17          2HG       LYS  17   1.844  10.352  -1.091
  121   2HG   LYS  17          1HG       LYS  17   1.897   9.027  -2.255
  122   1HD   LYS  17          2HD       LYS  17   1.364  11.241  -3.301
  123   2HD   LYS  17          1HD       LYS  17   0.108  10.029  -3.558
  124   1HE   LYS  17          2HE       LYS  17  -1.425  11.262  -2.423
  125   2HE   LYS  17          1HE       LYS  17  -0.299  11.545  -1.080
  126   1HZ   LYS  17          1HZ       LYS  17  -0.457  12.993  -3.662
  127   2HZ   LYS  17          2HZ       LYS  17   0.905  13.084  -2.651
  128   3HZ   LYS  17          3HZ       LYS  17  -0.604  13.634  -2.098
  129    H    ASP  18           H        ASP  18   2.398   7.141  -2.548
  130    HA   ASP  18           HA       ASP  18   4.452   6.112  -1.993
  131   1HB   ASP  18          2HB       ASP  18   3.374   7.169   0.624
  132   2HB   ASP  18          1HB       ASP  18   4.932   6.347   0.547
  133    H    LEU  19           H        LEU  19   1.684   4.650  -1.728
  134    HA   LEU  19           HA       LEU  19   2.800   2.249  -0.321
  135   1HB   LEU  19          2HB       LEU  19   0.936   3.755   0.788
  136   2HB   LEU  19          1HB       LEU  19  -0.131   2.922  -0.343
  137    HG   LEU  19           HG       LEU  19   0.521   0.755   0.553
  138   1HD1  LEU  19          1HD1      LEU  19   2.038   0.763   2.620
  139   2HD1  LEU  19          2HD1      LEU  19   2.478   2.411   2.174
  140   3HD1  LEU  19          3HD1      LEU  19   2.840   1.078   1.085
  141   1HD2  LEU  19          1HD2      LEU  19  -0.058   1.250   3.068
  142   2HD2  LEU  19          2HD2      LEU  19  -1.262   1.579   1.821
  143   3HD2  LEU  19          3HD2      LEU  19  -0.305   2.899   2.494
  144    H    VAL  20           H        VAL  20   2.350   0.263  -1.363
  145    HA   VAL  20           HA       VAL  20   0.643   0.340  -3.814
  146    HB   VAL  20           HB       VAL  20   2.535  -0.846  -4.991
  147   1HG1  VAL  20          1HG1      VAL  20   2.151   1.586  -5.261
  148   2HG1  VAL  20          2HG1      VAL  20   3.869   1.200  -5.325
  149   3HG1  VAL  20          3HG1      VAL  20   3.177   1.897  -3.860
  150   1HG2  VAL  20          1HG2      VAL  20   4.244  -1.601  -3.731
  151   2HG2  VAL  20          2HG2      VAL  20   3.572  -0.809  -2.306
  152   3HG2  VAL  20          3HG2      VAL  20   4.678   0.067  -3.363
  153    H    CYS  21           H        CYS  21  -0.487  -1.573  -4.107
  154    HA   CYS  21           HA       CYS  21  -0.672  -3.510  -2.018
  155   1HB   CYS  21          2HB       CYS  21  -2.236  -2.797  -3.999
  156   2HB   CYS  21          1HB       CYS  21  -1.386  -4.056  -4.888
  157    H    SER  22           H        SER  22  -0.012  -5.791  -2.072
  158    HA   SER  22           HA       SER  22   2.112  -6.487  -4.035
  159   1HB   SER  22          2HB       SER  22   2.531  -5.548  -1.379
  160   2HB   SER  22          1HB       SER  22   2.963  -7.255  -1.416
  161    HG   SER  22           HG       SER  22   3.993  -6.425  -3.568
  162    H    SER  23           H        SER  23   1.700  -8.510  -4.749
  163    HA   SER  23           HA       SER  23  -0.281 -10.231  -3.663
  164   1HB   SER  23          2HB       SER  23   0.232 -10.573  -5.914
  165   2HB   SER  23          1HB       SER  23   1.964 -10.401  -5.642
  166    HG   SER  23           HG       SER  23   1.710 -12.539  -5.866
  167    H    ARG  24           H        ARG  24   3.109  -9.797  -2.950
  168    HA   ARG  24           HA       ARG  24   3.450 -12.348  -1.556
  169   1HB   ARG  24          2HB       ARG  24   5.135 -10.637  -2.718
  170   2HB   ARG  24          1HB       ARG  24   5.155  -9.920  -1.107
  171   1HG   ARG  24          2HG       ARG  24   5.631 -12.256  -0.209
  172   2HG   ARG  24          1HG       ARG  24   5.905 -12.746  -1.881
  173   1HD   ARG  24          2HD       ARG  24   7.894 -11.599  -2.030
  174   2HD   ARG  24          1HD       ARG  24   7.329 -10.286  -0.977
  175    HE   ARG  24           HE       ARG  24   7.780 -11.700   0.956
  176   1HH1  ARG  24          1HH1      ARG  24   7.320 -14.332  -0.527
  177   2HH1  ARG  24          2HH1      ARG  24   8.926 -14.978  -0.557
  178   1HH2  ARG  24          1HH2      ARG  24  10.443 -11.965   0.234
  179   2HH2  ARG  24          2HH2      ARG  24  10.691 -13.639  -0.132
  180    H    TRP  25           H        TRP  25   2.796  -8.976  -0.720
  181    HA   TRP  25           HA       TRP  25   2.476  -9.707   2.147
  182   1HB   TRP  25          2HB       TRP  25   2.360  -7.033   0.742
  183   2HB   TRP  25          1HB       TRP  25   2.512  -7.308   2.472
  184    HD1  TRP  25           HD       TRP  25   4.576  -6.835  -0.562
  185    HE1  TRP  25           1HE      TRP  25   7.049  -7.352  -0.055
  186    HE3  TRP  25           3HE      TRP  25   4.105  -9.078   4.005
  187    HZ2  TRP  25           2HZ      TRP  25   8.602  -8.536   1.973
  188    HZ3  TRP  25           3HZ      TRP  25   6.117  -9.891   5.205
  189    HH2  TRP  25           HH       TRP  25   8.369  -9.626   4.197
  190    H    LYS  26           H        LYS  26   0.660  -9.921  -0.503
  191    HA   LYS  26           HA       LYS  26  -1.606  -9.681  -1.053
  192   1HB   LYS  26          2HB       LYS  26  -2.957 -10.618   1.019
  193   2HB   LYS  26          1HB       LYS  26  -1.862 -11.658   0.119
  194   1HG   LYS  26          2HG       LYS  26  -1.274 -12.084   2.341
  195   2HG   LYS  26          1HG       LYS  26  -0.081 -10.893   1.880
  196   1HD   LYS  26          2HD       LYS  26  -0.811  -9.928   3.841
  197   2HD   LYS  26          1HD       LYS  26  -1.991  -9.222   2.737
  198   1HE   LYS  26          2HE       LYS  26  -2.509 -11.877   4.098
  199   2HE   LYS  26          1HE       LYS  26  -2.951 -10.333   4.855
  200   1HZ   LYS  26          1HZ       LYS  26  -4.811 -10.741   3.601
  201   2HZ   LYS  26          2HZ       LYS  26  -3.954 -11.537   2.368
  202   3HZ   LYS  26          3HZ       LYS  26  -3.894  -9.843   2.492
  203    H    TRP  27           H        TRP  27  -0.467  -7.216  -0.104
  204    HA   TRP  27           HA       TRP  27  -2.869  -5.738   0.230
  205   1HB   TRP  27          2HB       TRP  27  -2.613  -5.036   2.611
  206   2HB   TRP  27          1HB       TRP  27  -2.987  -6.742   2.423
  207    HD1  TRP  27           HD       TRP  27   0.518  -5.141   2.075
  208    HE1  TRP  27           1HE      TRP  27   2.051  -6.223   3.835
  209    HE3  TRP  27           3HE      TRP  27  -2.851  -8.022   4.578
  210    HZ2  TRP  27           2HZ      TRP  27   1.901  -8.013   5.994
  211    HZ3  TRP  27           3HZ      TRP  27  -2.127  -9.405   6.503
  212    HH2  TRP  27           HH       TRP  27   0.250  -9.408   7.217
  213    H    CYS  28           H        CYS  28  -2.404  -3.400   0.990
  214    HA   CYS  28           HA       CYS  28  -0.388  -2.270  -0.667
  215   1HB   CYS  28          2HB       CYS  28  -1.901  -1.203   1.738
  216   2HB   CYS  28          1HB       CYS  28  -1.054  -0.203   0.559
  217    H    VAL  29           H        VAL  29   1.780  -2.497  -0.309
  218    HA   VAL  29           HA       VAL  29   2.774  -2.496   2.510
  219    HB   VAL  29           HB       VAL  29   4.797  -3.513   1.403
  220   1HG1  VAL  29          1HG1      VAL  29   2.328  -4.647   2.049
  221   2HG1  VAL  29          2HG1      VAL  29   3.839  -5.522   1.796
  222   3HG1  VAL  29          3HG1      VAL  29   2.707  -5.308   0.460
  223   1HG2  VAL  29          1HG2      VAL  29   4.176  -2.460  -0.854
  224   2HG2  VAL  29          2HG2      VAL  29   2.994  -3.759  -1.016
  225   3HG2  VAL  29          3HG2      VAL  29   4.712  -4.140  -0.901
  226    H    LEU  30           H        LEU  30   4.469  -1.068   3.060
  227    HA   LEU  30           HA       LEU  30   4.564   1.514   2.129
  228   1HB   LEU  30          2HB       LEU  30   6.845  -0.250   3.076
  229   2HB   LEU  30          1HB       LEU  30   6.912   1.512   3.025
  230    HG   LEU  30           HG       LEU  30   4.808  -0.045   4.556
  231   1HD1  LEU  30          1HD1      LEU  30   6.638   1.398   6.230
  232   2HD1  LEU  30          2HD1      LEU  30   7.561   0.328   5.173
  233   3HD1  LEU  30          3HD1      LEU  30   6.299  -0.332   6.214
  234   1HD2  LEU  30          1HD2      LEU  30   4.851   2.589   3.703
  235   2HD2  LEU  30          2HD2      LEU  30   5.506   2.700   5.336
  236   3HD2  LEU  30          3HD2      LEU  30   3.919   1.979   5.073
  237    H    ALA  31           H        ALA  31   5.220   2.493   0.236
  238    HA   ALA  31           HA       ALA  31   6.193   0.840  -1.963
  239   1HB   ALA  31          1HB       ALA  31   5.660   3.798  -1.594
  240   2HB   ALA  31          2HB       ALA  31   4.603   2.614  -2.362
  241   3HB   ALA  31          3HB       ALA  31   6.116   3.080  -3.139
  242    H    SER  32           H        SER  32   8.081   0.787   0.117
  243    HA   SER  32           HA       SER  32  10.403   1.035   0.471
  244   1HB   SER  32          2HB       SER  32  10.913   0.133  -1.569
  245   2HB   SER  32          1HB       SER  32   9.834   1.227  -2.431
  246    HG   SER  32           HG       SER  32  11.405   2.650  -2.610
  247    HA   PRO  33           HA       PRO  33  10.588   5.444   1.183
  248   1HB   PRO  33          2HB       PRO  33  12.696   5.364   2.921
  249   2HB   PRO  33          1HB       PRO  33  11.039   4.945   3.395
  250   1HG   PRO  33          2HG       PRO  33  13.337   3.172   2.782
  251   2HG   PRO  33          1HG       PRO  33  12.036   2.969   3.963
  252   1HD   PRO  33          2HD       PRO  33  12.153   1.688   1.524
  253   2HD   PRO  33          1HD       PRO  33  10.664   1.955   2.458
  254    H    PHE  34           H        PHE  34  11.570   4.818  -1.266
  255    HA   PHE  34           HA       PHE  34  13.220   5.408  -2.854
  256   1HB   PHE  34          2HB       PHE  34  13.712   7.246  -0.504
  257   2HB   PHE  34          1HB       PHE  34  14.630   7.393  -2.003
  258    HD1  PHE  34           1HD      PHE  34  13.630   8.272  -4.007
  259    HD2  PHE  34           2HD      PHE  34  11.240   7.544  -0.514
  260    HE1  PHE  34           1HE      PHE  34  11.753   9.527  -5.031
  261    HE2  PHE  34           2HE      PHE  34   9.362   8.799  -1.537
  262    HZ   PHE  34           HZ       PHE  34   9.619   9.790  -3.795
  Start of MODEL   12
    1   1H    GLU   1          1HT       GLU   1  -8.114   3.533  -3.077
    2   2H    GLU   1          2HT       GLU   1  -9.261   4.390  -3.992
    3   3H    GLU   1          3HT       GLU   1  -9.729   3.600  -2.564
    4    HA   GLU   1           HA       GLU   1  -8.473   6.194  -2.910
    5   1HB   GLU   1          2HB       GLU   1  -9.959   4.957  -0.585
    6   2HB   GLU   1          1HB       GLU   1  -9.908   6.654  -1.063
    7   1HG   GLU   1          2HG       GLU   1 -10.867   5.177  -3.299
    8   2HG   GLU   1          1HG       GLU   1 -11.767   4.630  -1.883
    9    H    CYS   2           H        CYS   2  -7.728   6.885  -0.431
   10    HA   CYS   2           HA       CYS   2  -5.171   5.560  -0.059
   11   1HB   CYS   2          2HB       CYS   2  -6.020   8.030   0.342
   12   2HB   CYS   2          1HB       CYS   2  -6.458   7.408   1.935
   13    H    GLY   3           H        GLY   3  -5.332   3.451   0.719
   14   1HA   GLY   3          2HA       GLY   3  -7.157   2.940   3.014
   15   2HA   GLY   3          1HA       GLY   3  -6.423   1.696   2.001
   16    H    LYS   4           H        LYS   4  -6.199   1.424   4.723
   17    HA   LYS   4           HA       LYS   4  -3.590   2.524   5.589
   18   1HB   LYS   4          2HB       LYS   4  -5.972   1.182   6.746
   19   2HB   LYS   4          1HB       LYS   4  -4.441   0.847   7.554
   20   1HG   LYS   4          2HG       LYS   4  -5.456   3.631   6.918
   21   2HG   LYS   4          1HG       LYS   4  -5.627   2.846   8.488
   22   1HD   LYS   4          2HD       LYS   4  -3.577   3.610   9.021
   23   2HD   LYS   4          1HD       LYS   4  -2.916   2.542   7.781
   24   1HE   LYS   4          2HE       LYS   4  -3.428   4.381   6.087
   25   2HE   LYS   4          1HE       LYS   4  -3.739   5.443   7.474
   26   1HZ   LYS   4          1HZ       LYS   4  -1.290   3.794   7.316
   27   2HZ   LYS   4          2HZ       LYS   4  -1.582   5.166   8.274
   28   3HZ   LYS   4          3HZ       LYS   4  -1.353   5.330   6.599
   29    H    PHE   5           H        PHE   5  -1.789   1.144   6.117
   30    HA   PHE   5           HA       PHE   5  -0.965  -0.848   4.427
   31   1HB   PHE   5          2HB       PHE   5   0.331   0.190   6.279
   32   2HB   PHE   5          1HB       PHE   5  -0.581  -0.780   7.436
   33    HD1  PHE   5           1HD      PHE   5   1.453  -1.215   4.296
   34    HD2  PHE   5           2HD      PHE   5   0.302  -2.836   8.106
   35    HE1  PHE   5           1HE      PHE   5   3.058  -3.082   3.995
   36    HE2  PHE   5           2HE      PHE   5   1.903  -4.699   7.794
   37    HZ   PHE   5           HZ       PHE   5   3.281  -4.818   5.737
   38    H    MET   6           H        MET   6  -1.154  -3.120   4.346
   39    HA   MET   6           HA       MET   6  -2.050  -5.255   4.787
   40   1HB   MET   6          2HB       MET   6  -3.612  -4.008   7.048
   41   2HB   MET   6          1HB       MET   6  -3.055  -5.671   6.892
   42   1HG   MET   6          2HG       MET   6  -0.673  -4.537   6.797
   43   2HG   MET   6          1HG       MET   6  -1.499  -3.225   7.637
   44   1HE   MET   6          1HE       MET   6   0.321  -5.997   7.521
   45   2HE   MET   6          2HE       MET   6  -0.324  -7.296   8.520
   46   3HE   MET   6          3HE       MET   6   0.786  -6.123   9.223
   47    H    TRP   7           H        TRP   7  -3.804  -2.430   4.113
   48    HA   TRP   7           HA       TRP   7  -6.484  -3.421   3.980
   49   1HB   TRP   7          2HB       TRP   7  -4.877  -1.179   2.883
   50   2HB   TRP   7          1HB       TRP   7  -6.332  -1.586   1.983
   51    HD1  TRP   7           HD       TRP   7  -5.814  -1.681   5.813
   52    HE1  TRP   7           1HE      TRP   7  -7.623  -0.166   6.879
   53    HE3  TRP   7           3HE      TRP   7  -7.985   0.183   1.611
   54    HZ2  TRP   7           2HZ      TRP   7  -9.688   1.588   6.060
   55    HZ3  TRP   7           3HZ      TRP   7  -9.880   1.785   1.766
   56    HH2  TRP   7           HH       TRP   7 -10.736   2.492   3.986
   57    H    LYS   8           H        LYS   8  -7.329  -4.930   2.606
   58    HA   LYS   8           HA       LYS   8  -5.879  -6.420   0.705
   59   1HB   LYS   8          2HB       LYS   8  -8.665  -5.955   1.520
   60   2HB   LYS   8          1HB       LYS   8  -8.514  -6.437  -0.170
   61   1HG   LYS   8          2HG       LYS   8  -7.000  -7.925   1.963
   62   2HG   LYS   8          1HG       LYS   8  -8.696  -8.300   1.658
   63   1HD   LYS   8          2HD       LYS   8  -8.243  -9.306  -0.326
   64   2HD   LYS   8          1HD       LYS   8  -7.056  -8.082  -0.779
   65   1HE   LYS   8          2HE       LYS   8  -5.399  -9.527  -0.235
   66   2HE   LYS   8          1HE       LYS   8  -5.992  -9.550   1.438
   67   1HZ   LYS   8          1HZ       LYS   8  -6.235 -11.745   0.707
   68   2HZ   LYS   8          2HZ       LYS   8  -6.812 -11.277  -0.822
   69   3HZ   LYS   8          3HZ       LYS   8  -7.790 -11.087   0.555
   70    H    CYS   9           H        CYS   9  -5.644  -6.182  -1.585
   71    HA   CYS   9           HA       CYS   9  -6.640  -3.620  -2.756
   72   1HB   CYS   9          2HB       CYS   9  -4.293  -3.419  -3.710
   73   2HB   CYS   9          1HB       CYS   9  -4.408  -3.213  -1.961
   74    H    LYS  10           H        LYS  10  -5.960  -3.645  -5.199
   75    HA   LYS  10           HA       LYS  10  -6.526  -6.367  -6.333
   76   1HB   LYS  10          2HB       LYS  10  -7.806  -5.178  -8.035
   77   2HB   LYS  10          1HB       LYS  10  -8.352  -4.634  -6.448
   78   1HG   LYS  10          2HG       LYS  10  -6.489  -2.795  -6.757
   79   2HG   LYS  10          1HG       LYS  10  -6.669  -3.182  -8.468
   80   1HD   LYS  10          2HD       LYS  10  -9.293  -2.993  -7.581
   81   2HD   LYS  10          1HD       LYS  10  -8.470  -1.706  -6.698
   82   1HE   LYS  10          2HE       LYS  10  -7.386  -1.256  -9.108
   83   2HE   LYS  10          1HE       LYS  10  -8.913  -1.991  -9.636
   84   1HZ   LYS  10          1HZ       LYS  10  -8.532   0.352  -7.863
   85   2HZ   LYS  10          2HZ       LYS  10 -10.000  -0.500  -7.925
   86   3HZ   LYS  10          3HZ       LYS  10  -9.404   0.273  -9.316
   87    H    ASN  11           H        ASN  11  -4.726  -3.362  -6.560
   88    HA   ASN  11           HA       ASN  11  -2.577  -4.633  -8.068
   89   1HB   ASN  11          2HB       ASN  11  -4.780  -3.641  -9.480
   90   2HB   ASN  11          1HB       ASN  11  -3.559  -2.377  -9.631
   91   1HD2  ASN  11          1HD2      ASN  11  -1.632  -2.854 -10.846
   92   2HD2  ASN  11          2HD2      ASN  11  -1.442  -4.293 -11.726
   93    H    SER  12           H        SER  12  -4.094  -1.597  -7.017
   94    HA   SER  12           HA       SER  12  -2.004  -0.614  -5.455
   95   1HB   SER  12          2HB       SER  12  -1.407  -0.652  -8.268
   96   2HB   SER  12          1HB       SER  12  -1.447   1.014  -7.708
   97    HG   SER  12           HG       SER  12   0.088  -1.147  -6.696
   98    H    ASN  13           H        ASN  13  -4.709   0.021  -7.538
   99    HA   ASN  13           HA       ASN  13  -4.988   2.847  -7.125
  100   1HB   ASN  13          2HB       ASN  13  -6.570   0.536  -8.099
  101   2HB   ASN  13          1HB       ASN  13  -7.510   1.931  -7.565
  102   1HD2  ASN  13          1HD2      ASN  13  -7.969   1.914 -10.067
  103   2HD2  ASN  13          2HD2      ASN  13  -6.900   2.814 -11.030
  104    H    ASP  14           H        ASP  14  -5.191   0.361  -4.855
  105    HA   ASP  14           HA       ASP  14  -7.178   1.888  -3.204
  106   1HB   ASP  14          2HB       ASP  14  -7.266  -0.686  -3.992
  107   2HB   ASP  14          1HB       ASP  14  -6.320  -0.881  -2.516
  108    H    CYS  15           H        CYS  15  -3.857   1.215  -3.497
  109    HA   CYS  15           HA       CYS  15  -3.238   1.152  -0.636
  110   1HB   CYS  15          2HB       CYS  15  -1.550   1.490  -3.131
  111   2HB   CYS  15          1HB       CYS  15  -0.935   1.105  -1.522
  112    H    CYS  16           H        CYS  16  -2.741   2.877   0.627
  113    HA   CYS  16           HA       CYS  16  -3.306   5.566  -0.046
  114   1HB   CYS  16          2HB       CYS  16  -2.044   4.010   2.097
  115   2HB   CYS  16          1HB       CYS  16  -1.410   5.649   1.965
  116    H    LYS  17           H        LYS  17  -1.615   7.373  -0.077
  117    HA   LYS  17           HA       LYS  17   0.147   7.189  -2.235
  118   1HB   LYS  17          2HB       LYS  17  -0.744   9.176  -0.817
  119   2HB   LYS  17          1HB       LYS  17   0.668   8.889   0.198
  120   1HG   LYS  17          2HG       LYS  17   1.878   8.864  -2.201
  121   2HG   LYS  17          1HG       LYS  17   0.518   9.917  -2.593
  122   1HD   LYS  17          2HD       LYS  17   1.339  10.894  -0.146
  123   2HD   LYS  17          1HD       LYS  17   2.865  10.446  -0.911
  124   1HE   LYS  17          2HE       LYS  17   2.482  12.679  -1.649
  125   2HE   LYS  17          1HE       LYS  17   1.920  11.683  -3.006
  126   1HZ   LYS  17          1HZ       LYS  17   0.173  13.183  -2.516
  127   2HZ   LYS  17          2HZ       LYS  17   0.283  12.889  -0.846
  128   3HZ   LYS  17          3HZ       LYS  17  -0.306  11.683  -1.888
  129    H    ASP  18           H        ASP  18   2.398   6.710  -2.384
  130    HA   ASP  18           HA       ASP  18   4.444   5.698  -1.766
  131   1HB   ASP  18          2HB       ASP  18   3.515   6.193   1.075
  132   2HB   ASP  18          1HB       ASP  18   5.169   6.152   0.469
  133    H    LEU  19           H        LEU  19   1.518   4.391  -1.450
  134    HA   LEU  19           HA       LEU  19   2.546   1.853  -0.229
  135   1HB   LEU  19          2HB       LEU  19   0.687   3.393   0.899
  136   2HB   LEU  19          1HB       LEU  19  -0.366   2.584  -0.262
  137    HG   LEU  19           HG       LEU  19   0.532   0.379   0.587
  138   1HD1  LEU  19          1HD1      LEU  19   1.547   2.007   2.921
  139   2HD1  LEU  19          2HD1      LEU  19   2.594   1.534   1.588
  140   3HD1  LEU  19          3HD1      LEU  19   1.827   0.300   2.581
  141   1HD2  LEU  19          1HD2      LEU  19  -0.630   1.905   2.900
  142   2HD2  LEU  19          2HD2      LEU  19  -1.013   0.279   2.336
  143   3HD2  LEU  19          3HD2      LEU  19  -1.583   1.682   1.433
  144    H    VAL  20           H        VAL  20   2.103  -0.038  -1.425
  145    HA   VAL  20           HA       VAL  20   0.421   0.245  -3.881
  146    HB   VAL  20           HB       VAL  20   2.331  -1.005  -5.052
  147   1HG1  VAL  20          1HG1      VAL  20   3.012   1.013  -5.835
  148   2HG1  VAL  20          2HG1      VAL  20   3.527   1.556  -4.238
  149   3HG1  VAL  20          3HG1      VAL  20   1.833   1.685  -4.710
  150   1HG2  VAL  20          1HG2      VAL  20   3.522  -1.774  -3.071
  151   2HG2  VAL  20          2HG2      VAL  20   3.727  -0.116  -2.509
  152   3HG2  VAL  20          3HG2      VAL  20   4.566  -0.664  -3.959
  153    H    CYS  21           H        CYS  21  -0.499  -1.747  -4.579
  154    HA   CYS  21           HA       CYS  21  -1.032  -3.722  -2.569
  155   1HB   CYS  21          2HB       CYS  21  -2.468  -3.107  -4.510
  156   2HB   CYS  21          1HB       CYS  21  -1.284  -3.837  -5.593
  157    H    SER  22           H        SER  22  -0.034  -5.737  -2.184
  158    HA   SER  22           HA       SER  22   2.132  -6.571  -4.065
  159   1HB   SER  22          2HB       SER  22   2.666  -5.144  -1.835
  160   2HB   SER  22          1HB       SER  22   2.660  -6.765  -1.148
  161    HG   SER  22           HG       SER  22   4.277  -5.685  -3.192
  162    H    SER  23           H        SER  23   1.869  -8.693  -4.535
  163    HA   SER  23           HA       SER  23  -0.031 -10.373  -3.196
  164   1HB   SER  23          2HB       SER  23   1.562 -10.304  -5.564
  165   2HB   SER  23          1HB       SER  23   1.850 -11.849  -4.767
  166    HG   SER  23           HG       SER  23  -0.328 -12.260  -4.816
  167    H    ARG  24           H        ARG  24   3.371  -9.743  -2.791
  168    HA   ARG  24           HA       ARG  24   3.965 -12.198  -1.320
  169   1HB   ARG  24          2HB       ARG  24   5.387 -10.292  -2.668
  170   2HB   ARG  24          1HB       ARG  24   5.645  -9.776  -1.001
  171   1HG   ARG  24          2HG       ARG  24   6.505 -11.957  -0.393
  172   2HG   ARG  24          1HG       ARG  24   6.083 -12.612  -1.975
  173   1HD   ARG  24          2HD       ARG  24   8.359 -12.146  -2.276
  174   2HD   ARG  24          1HD       ARG  24   7.636 -10.625  -2.839
  175    HE   ARG  24           HE       ARG  24   7.978  -9.770  -0.476
  176   1HH1  ARG  24          1HH1      ARG  24  10.297 -11.428  -2.217
  177   2HH1  ARG  24          2HH1      ARG  24  11.369 -11.700  -0.885
  178   1HH2  ARG  24          1HH2      ARG  24   9.120 -10.569   1.499
  179   2HH2  ARG  24          2HH2      ARG  24  10.703 -11.213   1.218
  180    H    TRP  25           H        TRP  25   3.019  -8.883  -0.576
  181    HA   TRP  25           HA       TRP  25   3.191  -9.416   2.344
  182   1HB   TRP  25          2HB       TRP  25   2.570  -6.938   0.702
  183   2HB   TRP  25          1HB       TRP  25   2.723  -6.965   2.459
  184    HD1  TRP  25           HD       TRP  25   4.731  -6.582  -0.624
  185    HE1  TRP  25           1HE      TRP  25   7.249  -6.638  -0.080
  186    HE3  TRP  25           3HE      TRP  25   4.579  -8.267   4.203
  187    HZ2  TRP  25           2HZ      TRP  25   8.951  -7.292   2.060
  188    HZ3  TRP  25           3HZ      TRP  25   6.687  -8.599   5.471
  189    HH2  TRP  25           HH       TRP  25   8.876  -8.113   4.407
  190    H    LYS  26           H        LYS  26   0.975  -9.612  -0.215
  191    HA   LYS  26           HA       LYS  26  -1.313 -10.126  -0.255
  192   1HB   LYS  26          2HB       LYS  26  -1.881 -11.497   1.483
  193   2HB   LYS  26          1HB       LYS  26  -0.202 -11.270   1.957
  194   1HG   LYS  26          2HG       LYS  26  -1.474  -9.065   3.075
  195   2HG   LYS  26          1HG       LYS  26  -2.652 -10.354   3.279
  196   1HD   LYS  26          2HD       LYS  26   0.138 -10.133   4.378
  197   2HD   LYS  26          1HD       LYS  26  -1.357 -10.543   5.213
  198   1HE   LYS  26          2HE       LYS  26  -1.235 -12.613   3.449
  199   2HE   LYS  26          1HE       LYS  26   0.494 -12.308   3.712
  200   1HZ   LYS  26          1HZ       LYS  26  -1.533 -12.556   5.871
  201   2HZ   LYS  26          2HZ       LYS  26   0.139 -12.337   6.081
  202   3HZ   LYS  26          3HZ       LYS  26  -0.455 -13.785   5.418
  203    H    TRP  27           H        TRP  27  -0.384  -7.271   0.106
  204    HA   TRP  27           HA       TRP  27  -2.912  -6.015   0.365
  205   1HB   TRP  27          2HB       TRP  27  -2.613  -5.009   2.646
  206   2HB   TRP  27          1HB       TRP  27  -2.830  -6.751   2.690
  207    HD1  TRP  27           HD       TRP  27   0.383  -4.679   2.064
  208    HE1  TRP  27           1HE      TRP  27   2.179  -5.451   3.733
  209    HE3  TRP  27           3HE      TRP  27  -2.317  -8.039   4.790
  210    HZ2  TRP  27           2HZ      TRP  27   2.446  -7.205   5.921
  211    HZ3  TRP  27           3HZ      TRP  27  -1.261  -9.238   6.686
  212    HH2  TRP  27           HH       TRP  27   1.118  -8.827   7.258
  213    H    CYS  28           H        CYS  28  -2.452  -3.528   1.138
  214    HA   CYS  28           HA       CYS  28  -0.523  -2.482  -0.766
  215   1HB   CYS  28          2HB       CYS  28  -2.242  -1.329   1.449
  216   2HB   CYS  28          1HB       CYS  28  -1.254  -0.318   0.390
  217    H    VAL  29           H        VAL  29   1.652  -2.191  -0.376
  218    HA   VAL  29           HA       VAL  29   2.565  -2.265   2.471
  219    HB   VAL  29           HB       VAL  29   4.623  -3.215   1.526
  220   1HG1  VAL  29          1HG1      VAL  29   2.968  -4.852   2.042
  221   2HG1  VAL  29          2HG1      VAL  29   3.525  -5.259   0.420
  222   3HG1  VAL  29          3HG1      VAL  29   1.993  -4.416   0.639
  223   1HG2  VAL  29          1HG2      VAL  29   5.107  -2.544  -0.588
  224   2HG2  VAL  29          2HG2      VAL  29   3.424  -2.152  -0.933
  225   3HG2  VAL  29          3HG2      VAL  29   3.997  -3.810  -1.110
  226    H    LEU  30           H        LEU  30   4.426  -0.937   3.026
  227    HA   LEU  30           HA       LEU  30   4.264   1.777   2.104
  228   1HB   LEU  30          2HB       LEU  30   6.429   0.326   3.650
  229   2HB   LEU  30          1HB       LEU  30   6.158   2.069   3.635
  230    HG   LEU  30           HG       LEU  30   4.134   0.015   4.587
  231   1HD1  LEU  30          1HD1      LEU  30   6.411   1.263   5.894
  232   2HD1  LEU  30          2HD1      LEU  30   5.330   0.008   6.498
  233   3HD1  LEU  30          3HD1      LEU  30   4.901   1.708   6.690
  234   1HD2  LEU  30          1HD2      LEU  30   3.744   2.716   5.521
  235   2HD2  LEU  30          2HD2      LEU  30   2.652   1.716   4.564
  236   3HD2  LEU  30          3HD2      LEU  30   3.859   2.719   3.761
  237    H    ALA  31           H        ALA  31   4.611   0.534  -0.275
  238    HA   ALA  31           HA       ALA  31   6.108   0.125  -2.091
  239   1HB   ALA  31          1HB       ALA  31   7.372   2.436  -2.348
  240   2HB   ALA  31          2HB       ALA  31   6.379   2.894  -0.965
  241   3HB   ALA  31          3HB       ALA  31   5.614   2.376  -2.467
  242    H    SER  32           H        SER  32   7.192  -1.161   0.141
  243    HA   SER  32           HA       SER  32  10.085  -0.922  -0.466
  244   1HB   SER  32          2HB       SER  32   9.941   0.655   1.295
  245   2HB   SER  32          1HB       SER  32   8.761  -0.312   2.177
  246    HG   SER  32           HG       SER  32  10.556  -0.850   3.205
  247    HA   PRO  33           HA       PRO  33   9.223  -5.272   0.171
  248   1HB   PRO  33          2HB       PRO  33  11.516  -6.178  -1.006
  249   2HB   PRO  33          1HB       PRO  33  10.105  -5.633  -1.934
  250   1HG   PRO  33          2HG       PRO  33  12.673  -4.260  -1.424
  251   2HG   PRO  33          1HG       PRO  33  11.598  -4.167  -2.824
  252   1HD   PRO  33          2HD       PRO  33  11.794  -2.270  -0.794
  253   2HD   PRO  33          1HD       PRO  33  10.464  -2.408  -1.961
  254    H    PHE  34           H        PHE  34   9.495  -5.343   2.467
  255    HA   PHE  34           HA       PHE  34  12.060  -5.012   3.774
  256   1HB   PHE  34          2HB       PHE  34   9.279  -5.873   4.435
  257   2HB   PHE  34          1HB       PHE  34  10.552  -6.327   5.567
  258    HD1  PHE  34           1HD      PHE  34   9.162  -3.391   3.708
  259    HD2  PHE  34           2HD      PHE  34  11.391  -4.768   7.112
  260    HE1  PHE  34           1HE      PHE  34   9.173  -1.089   4.630
  261    HE2  PHE  34           2HE      PHE  34  11.401  -2.468   8.036
  262    HZ   PHE  34           HZ       PHE  34  10.293  -0.627   6.796
  Start of MODEL   13
    1   1H    GLU   1          1HT       GLU   1  -8.851   2.465  -2.554
    2   2H    GLU   1          2HT       GLU   1 -10.269   3.080  -3.261
    3   3H    GLU   1          3HT       GLU   1 -10.208   2.785  -1.589
    4    HA   GLU   1           HA       GLU   1  -8.840   4.932  -3.116
    5   1HB   GLU   1          2HB       GLU   1 -10.456   5.100  -0.579
    6   2HB   GLU   1          1HB       GLU   1 -10.237   6.323  -1.829
    7   1HG   GLU   1          2HG       GLU   1 -11.778   3.734  -2.184
    8   2HG   GLU   1          1HG       GLU   1 -12.508   5.315  -1.901
    9    H    CYS   2           H        CYS   2  -7.756   6.444  -1.349
   10    HA   CYS   2           HA       CYS   2  -5.461   5.230  -0.283
   11   1HB   CYS   2          2HB       CYS   2  -6.270   7.713  -0.597
   12   2HB   CYS   2          1HB       CYS   2  -6.827   7.548   1.066
   13    H    GLY   3           H        GLY   3  -5.567   3.472   1.112
   14   1HA   GLY   3          2HA       GLY   3  -7.423   3.716   3.449
   15   2HA   GLY   3          1HA       GLY   3  -6.990   2.170   2.718
   16    H    LYS   4           H        LYS   4  -6.029   1.278   4.567
   17    HA   LYS   4           HA       LYS   4  -3.562   2.673   5.560
   18   1HB   LYS   4          2HB       LYS   4  -5.748   2.255   6.993
   19   2HB   LYS   4          1HB       LYS   4  -5.098   0.621   7.125
   20   1HG   LYS   4          2HG       LYS   4  -3.306   2.969   7.659
   21   2HG   LYS   4          1HG       LYS   4  -4.424   2.424   8.910
   22   1HD   LYS   4          2HD       LYS   4  -3.441   0.042   8.288
   23   2HD   LYS   4          1HD       LYS   4  -2.074   1.001   7.722
   24   1HE   LYS   4          2HE       LYS   4  -1.774   2.001   9.906
   25   2HE   LYS   4          1HE       LYS   4  -3.280   1.270  10.495
   26   1HZ   LYS   4          1HZ       LYS   4  -1.727  -0.273  11.166
   27   2HZ   LYS   4          2HZ       LYS   4  -0.731  -0.034   9.809
   28   3HZ   LYS   4          3HZ       LYS   4  -2.183  -0.905   9.658
   29    H    PHE   5           H        PHE   5  -1.708   1.331   5.893
   30    HA   PHE   5           HA       PHE   5  -1.041  -0.656   4.114
   31   1HB   PHE   5          2HB       PHE   5   0.540   0.351   5.649
   32   2HB   PHE   5          1HB       PHE   5  -0.300  -0.341   7.036
   33    HD1  PHE   5           1HD      PHE   5  -0.192  -2.768   7.498
   34    HD2  PHE   5           2HD      PHE   5   2.001  -0.998   4.257
   35    HE1  PHE   5           1HE      PHE   5   1.195  -4.814   7.318
   36    HE2  PHE   5           2HE      PHE   5   3.392  -3.043   4.084
   37    HZ   PHE   5           HZ       PHE   5   2.987  -4.949   5.608
   38    H    MET   6           H        MET   6  -1.003  -2.995   4.230
   39    HA   MET   6           HA       MET   6  -1.782  -5.139   4.846
   40   1HB   MET   6          2HB       MET   6  -1.651  -3.841   7.179
   41   2HB   MET   6          1HB       MET   6  -3.403  -3.998   7.077
   42   1HG   MET   6          2HG       MET   6  -3.295  -6.366   7.008
   43   2HG   MET   6          1HG       MET   6  -1.573  -6.355   6.629
   44   1HE   MET   6          1HE       MET   6   0.066  -6.391   7.765
   45   2HE   MET   6          2HE       MET   6   0.174  -6.897   9.449
   46   3HE   MET   6          3HE       MET   6   0.312  -5.189   9.040
   47    H    TRP   7           H        TRP   7  -3.671  -2.485   4.000
   48    HA   TRP   7           HA       TRP   7  -6.320  -3.618   4.116
   49   1HB   TRP   7          2HB       TRP   7  -4.900  -1.315   2.888
   50   2HB   TRP   7          1HB       TRP   7  -6.401  -1.795   2.108
   51    HD1  TRP   7           HD       TRP   7  -5.596  -1.867   5.881
   52    HE1  TRP   7           1HE      TRP   7  -7.361  -0.400   7.083
   53    HE3  TRP   7           3HE      TRP   7  -8.123  -0.057   1.858
   54    HZ2  TRP   7           2HZ      TRP   7  -9.531   1.296   6.424
   55    HZ3  TRP   7           3HZ      TRP   7 -10.044   1.490   2.157
   56    HH2  TRP   7           HH       TRP   7 -10.753   2.171   4.436
   57    H    LYS   8           H        LYS   8  -7.253  -5.100   2.732
   58    HA   LYS   8           HA       LYS   8  -5.883  -6.614   0.807
   59   1HB   LYS   8          2HB       LYS   8  -8.639  -6.037   1.622
   60   2HB   LYS   8          1HB       LYS   8  -8.518  -6.450  -0.089
   61   1HG   LYS   8          2HG       LYS   8  -7.699  -8.583   0.341
   62   2HG   LYS   8          1HG       LYS   8  -7.050  -8.127   1.919
   63   1HD   LYS   8          2HD       LYS   8  -9.822  -7.666   2.089
   64   2HD   LYS   8          1HD       LYS   8  -9.655  -9.218   1.268
   65   1HE   LYS   8          2HE       LYS   8  -7.816  -8.902   3.550
   66   2HE   LYS   8          1HE       LYS   8  -9.534  -8.897   4.001
   67   1HZ   LYS   8          1HZ       LYS   8  -8.726 -10.811   1.960
   68   2HZ   LYS   8          2HZ       LYS   8  -9.853 -10.980   3.222
   69   3HZ   LYS   8          3HZ       LYS   8  -8.190 -11.136   3.536
   70    H    CYS   9           H        CYS   9  -5.552  -6.313  -1.467
   71    HA   CYS   9           HA       CYS   9  -6.466  -3.695  -2.590
   72   1HB   CYS   9          2HB       CYS   9  -4.099  -3.529  -3.489
   73   2HB   CYS   9          1HB       CYS   9  -4.245  -3.373  -1.738
   74    H    LYS  10           H        LYS  10  -5.832  -3.630  -5.005
   75    HA   LYS  10           HA       LYS  10  -6.368  -6.299  -6.271
   76   1HB   LYS  10          2HB       LYS  10  -7.674  -5.063  -7.895
   77   2HB   LYS  10          1HB       LYS  10  -8.181  -4.516  -6.296
   78   1HG   LYS  10          2HG       LYS  10  -6.601  -2.596  -6.488
   79   2HG   LYS  10          1HG       LYS  10  -6.207  -3.117  -8.128
   80   1HD   LYS  10          2HD       LYS  10  -8.342  -2.596  -8.946
   81   2HD   LYS  10          1HD       LYS  10  -9.075  -2.652  -7.341
   82   1HE   LYS  10          2HE       LYS  10  -8.872  -0.386  -7.329
   83   2HE   LYS  10          1HE       LYS  10  -7.127  -0.649  -7.131
   84   1HZ   LYS  10          1HZ       LYS  10  -8.291  -0.923  -9.809
   85   2HZ   LYS  10          2HZ       LYS  10  -6.733  -0.420  -9.353
   86   3HZ   LYS  10          3HZ       LYS  10  -8.050   0.643  -9.202
   87    H    ASN  11           H        ASN  11  -4.572  -3.288  -6.323
   88    HA   ASN  11           HA       ASN  11  -2.392  -4.469  -7.850
   89   1HB   ASN  11          2HB       ASN  11  -4.370  -3.806  -9.443
   90   2HB   ASN  11          1HB       ASN  11  -3.795  -2.161  -9.176
   91   1HD2  ASN  11          1HD2      ASN  11  -3.564  -4.395 -11.477
   92   2HD2  ASN  11          2HD2      ASN  11  -1.948  -4.211 -11.964
   93    H    SER  12           H        SER  12  -3.946  -1.419  -6.852
   94    HA   SER  12           HA       SER  12  -1.913  -0.553  -5.122
   95   1HB   SER  12          2HB       SER  12  -1.125  -0.556  -7.833
   96   2HB   SER  12          1HB       SER  12  -1.381   1.133  -7.409
   97    HG   SER  12           HG       SER  12   0.715  -0.260  -6.869
   98    H    ASN  13           H        ASN  13  -4.373   0.328  -7.469
   99    HA   ASN  13           HA       ASN  13  -4.798   3.050  -6.812
  100   1HB   ASN  13          2HB       ASN  13  -5.862   1.234  -8.509
  101   2HB   ASN  13          1HB       ASN  13  -7.145   1.287  -7.300
  102   1HD2  ASN  13          1HD2      ASN  13  -5.383   3.247  -9.683
  103   2HD2  ASN  13          2HD2      ASN  13  -6.482   4.541  -9.683
  104    H    ASP  14           H        ASP  14  -5.421   0.184  -4.960
  105    HA   ASP  14           HA       ASP  14  -7.364   1.512  -3.164
  106   1HB   ASP  14          2HB       ASP  14  -6.871  -1.071  -4.034
  107   2HB   ASP  14          1HB       ASP  14  -6.211  -1.081  -2.398
  108    H    CYS  15           H        CYS  15  -3.955   1.064  -3.411
  109    HA   CYS  15           HA       CYS  15  -3.412   1.212  -0.535
  110   1HB   CYS  15          2HB       CYS  15  -1.666   1.434  -3.006
  111   2HB   CYS  15          1HB       CYS  15  -1.087   1.165  -1.361
  112    H    CYS  16           H        CYS  16  -2.622   3.009   0.563
  113    HA   CYS  16           HA       CYS  16  -3.364   5.637  -0.390
  114   1HB   CYS  16          2HB       CYS  16  -2.260   4.314   1.994
  115   2HB   CYS  16          1HB       CYS  16  -1.686   5.965   1.769
  116    H    LYS  17           H        LYS  17  -1.726   7.461  -0.494
  117    HA   LYS  17           HA       LYS  17   0.196   7.201  -2.460
  118   1HB   LYS  17          2HB       LYS  17  -0.519   9.334  -1.543
  119   2HB   LYS  17          1HB       LYS  17   0.177   8.936   0.028
  120   1HG   LYS  17          2HG       LYS  17   2.424   8.901  -0.939
  121   2HG   LYS  17          1HG       LYS  17   1.760   9.208  -2.543
  122   1HD   LYS  17          2HD       LYS  17   1.348  11.082  -0.201
  123   2HD   LYS  17          1HD       LYS  17   2.670  11.256  -1.357
  124   1HE   LYS  17          2HE       LYS  17   1.274  11.945  -3.057
  125   2HE   LYS  17          1HE       LYS  17  -0.081  10.951  -2.484
  126   1HZ   LYS  17          1HZ       LYS  17  -0.310  13.406  -2.070
  127   2HZ   LYS  17          2HZ       LYS  17   0.975  13.271  -0.966
  128   3HZ   LYS  17          3HZ       LYS  17  -0.474  12.423  -0.698
  129    H    ASP  18           H        ASP  18   2.513   6.837  -2.426
  130    HA   ASP  18           HA       ASP  18   4.463   5.696  -1.718
  131   1HB   ASP  18          2HB       ASP  18   3.258   6.997   0.698
  132   2HB   ASP  18          1HB       ASP  18   4.614   5.894   0.936
  133    H    LEU  19           H        LEU  19   1.823   4.269  -1.923
  134    HA   LEU  19           HA       LEU  19   2.594   1.858  -0.347
  135   1HB   LEU  19          2HB       LEU  19   0.737   3.548   0.606
  136   2HB   LEU  19          1HB       LEU  19  -0.291   2.629  -0.492
  137    HG   LEU  19           HG       LEU  19   0.558   0.515   0.585
  138   1HD1  LEU  19          1HD1      LEU  19   1.966   0.567   2.448
  139   2HD1  LEU  19          2HD1      LEU  19   1.535   2.226   2.856
  140   3HD1  LEU  19          3HD1      LEU  19   2.620   1.905   1.504
  141   1HD2  LEU  19          1HD2      LEU  19  -1.586   1.514   1.263
  142   2HD2  LEU  19          2HD2      LEU  19  -0.750   2.553   2.417
  143   3HD2  LEU  19          3HD2      LEU  19  -0.769   0.807   2.657
  144    H    VAL  20           H        VAL  20   2.102  -0.065  -1.460
  145    HA   VAL  20           HA       VAL  20   0.439   0.126  -3.926
  146    HB   VAL  20           HB       VAL  20   2.321  -1.070  -5.130
  147   1HG1  VAL  20          1HG1      VAL  20   3.141   1.623  -4.018
  148   2HG1  VAL  20          2HG1      VAL  20   1.872   1.430  -5.227
  149   3HG1  VAL  20          3HG1      VAL  20   3.526   0.950  -5.602
  150   1HG2  VAL  20          1HG2      VAL  20   3.987  -1.871  -3.839
  151   2HG2  VAL  20          2HG2      VAL  20   3.409  -0.966  -2.440
  152   3HG2  VAL  20          3HG2      VAL  20   4.507  -0.204  -3.592
  153    H    CYS  21           H        CYS  21  -0.507  -1.865  -4.502
  154    HA   CYS  21           HA       CYS  21  -0.921  -3.814  -2.444
  155   1HB   CYS  21          2HB       CYS  21  -2.453  -3.273  -4.319
  156   2HB   CYS  21          1HB       CYS  21  -1.293  -3.956  -5.455
  157    H    SER  22           H        SER  22   0.004  -5.937  -2.209
  158    HA   SER  22           HA       SER  22   2.207  -6.646  -4.091
  159   1HB   SER  22          2HB       SER  22   2.514  -5.476  -1.535
  160   2HB   SER  22          1HB       SER  22   2.971  -7.169  -1.366
  161    HG   SER  22           HG       SER  22   4.500  -6.912  -2.916
  162    H    SER  23           H        SER  23   2.121  -8.779  -4.583
  163    HA   SER  23           HA       SER  23   0.151 -10.530  -3.466
  164   1HB   SER  23          2HB       SER  23   1.962 -10.390  -5.658
  165   2HB   SER  23          1HB       SER  23   2.262 -11.917  -4.833
  166    HG   SER  23           HG       SER  23  -0.216 -10.917  -5.797
  167    H    ARG  24           H        ARG  24   3.477  -9.813  -2.714
  168    HA   ARG  24           HA       ARG  24   3.970 -12.243  -1.155
  169   1HB   ARG  24          2HB       ARG  24   5.525 -10.411  -2.380
  170   2HB   ARG  24          1HB       ARG  24   5.501  -9.706  -0.764
  171   1HG   ARG  24          2HG       ARG  24   6.157 -12.615  -1.279
  172   2HG   ARG  24          1HG       ARG  24   7.387 -11.354  -1.189
  173   1HD   ARG  24          2HD       ARG  24   5.779 -10.926   1.076
  174   2HD   ARG  24          1HD       ARG  24   5.997 -12.686   0.989
  175    HE   ARG  24           HE       ARG  24   8.257 -10.723   0.968
  176   1HH1  ARG  24          1HH1      ARG  24   6.945 -13.091   2.843
  177   2HH1  ARG  24          2HH1      ARG  24   8.355 -14.093   2.928
  178   1HH2  ARG  24          1HH2      ARG  24  10.074 -12.337   0.481
  179   2HH2  ARG  24          2HH2      ARG  24  10.126 -13.668   1.589
  180    H    TRP  25           H        TRP  25   2.854  -8.960  -0.623
  181    HA   TRP  25           HA       TRP  25   2.574  -9.491   2.301
  182   1HB   TRP  25          2HB       TRP  25   2.330  -6.911   0.730
  183   2HB   TRP  25          1HB       TRP  25   2.482  -7.083   2.473
  184    HD1  TRP  25           HD       TRP  25   4.537  -6.511  -0.499
  185    HE1  TRP  25           1HE      TRP  25   7.031  -6.895   0.017
  186    HE3  TRP  25           3HE      TRP  25   4.168  -8.868   4.020
  187    HZ2  TRP  25           2HZ      TRP  25   8.638  -8.024   2.033
  188    HZ3  TRP  25           3HZ      TRP  25   6.216  -9.588   5.220
  189    HH2  TRP  25           HH       TRP  25   8.455  -9.170   4.234
  190    H    LYS  26           H        LYS  26   0.845  -9.886  -0.440
  191    HA   LYS  26           HA       LYS  26  -1.423  -9.774  -1.047
  192   1HB   LYS  26          2HB       LYS  26  -2.776 -10.965   0.714
  193   2HB   LYS  26          1HB       LYS  26  -1.287 -11.778   0.266
  194   1HG   LYS  26          2HG       LYS  26  -1.341 -11.899   2.619
  195   2HG   LYS  26          1HG       LYS  26  -0.227 -10.596   2.296
  196   1HD   LYS  26          2HD       LYS  26  -1.855 -10.066   4.098
  197   2HD   LYS  26          1HD       LYS  26  -1.958  -8.938   2.749
  198   1HE   LYS  26          2HE       LYS  26  -4.210  -9.713   3.557
  199   2HE   LYS  26          1HE       LYS  26  -3.921 -10.157   1.868
  200   1HZ   LYS  26          1HZ       LYS  26  -3.873 -12.314   2.381
  201   2HZ   LYS  26          2HZ       LYS  26  -4.516 -11.890   3.896
  202   3HZ   LYS  26          3HZ       LYS  26  -2.840 -12.069   3.704
  203    H    TRP  27           H        TRP  27  -0.464  -7.263  -0.118
  204    HA   TRP  27           HA       TRP  27  -2.943  -5.912   0.215
  205   1HB   TRP  27          2HB       TRP  27  -2.740  -5.188   2.581
  206   2HB   TRP  27          1HB       TRP  27  -2.959  -6.923   2.424
  207    HD1  TRP  27           HD       TRP  27   0.419  -5.080   2.011
  208    HE1  TRP  27           1HE      TRP  27   2.017  -5.962   3.823
  209    HE3  TRP  27           3HE      TRP  27  -2.749  -8.058   4.657
  210    HZ2  TRP  27           2HZ      TRP  27   1.989  -7.657   6.064
  211    HZ3  TRP  27           3HZ      TRP  27  -1.937  -9.295   6.646
  212    HH2  TRP  27           HH       TRP  27   0.433  -9.101   7.357
  213    H    CYS  28           H        CYS  28  -2.486  -3.528   1.112
  214    HA   CYS  28           HA       CYS  28  -0.539  -2.369  -0.651
  215   1HB   CYS  28          2HB       CYS  28  -2.177  -1.357   1.693
  216   2HB   CYS  28          1HB       CYS  28  -1.250  -0.293   0.627
  217    H    VAL  29           H        VAL  29   1.632  -2.309  -0.312
  218    HA   VAL  29           HA       VAL  29   2.641  -2.516   2.494
  219    HB   VAL  29           HB       VAL  29   4.779  -3.143   1.210
  220   1HG1  VAL  29          1HG1      VAL  29   2.399  -4.620   1.811
  221   2HG1  VAL  29          2HG1      VAL  29   4.065  -5.197   1.778
  222   3HG1  VAL  29          3HG1      VAL  29   3.084  -5.250   0.313
  223   1HG2  VAL  29          1HG2      VAL  29   3.752  -2.086  -0.940
  224   2HG2  VAL  29          2HG2      VAL  29   2.881  -3.613  -1.086
  225   3HG2  VAL  29          3HG2      VAL  29   4.645  -3.600  -1.099
  226    H    LEU  30           H        LEU  30   4.629  -1.262   2.961
  227    HA   LEU  30           HA       LEU  30   4.323   1.530   2.454
  228   1HB   LEU  30          2HB       LEU  30   6.870   0.099   3.246
  229   2HB   LEU  30          1HB       LEU  30   6.332   1.702   3.743
  230    HG   LEU  30           HG       LEU  30   4.304  -0.213   4.452
  231   1HD1  LEU  30          1HD1      LEU  30   6.882  -1.354   4.506
  232   2HD1  LEU  30          2HD1      LEU  30   5.427  -1.980   5.283
  233   3HD1  LEU  30          3HD1      LEU  30   6.518  -0.923   6.177
  234   1HD2  LEU  30          1HD2      LEU  30   6.069   1.817   5.742
  235   2HD2  LEU  30          2HD2      LEU  30   5.305   0.630   6.799
  236   3HD2  LEU  30          3HD2      LEU  30   4.311   1.670   5.778
  237    H    ALA  31           H        ALA  31   4.568   2.380   0.406
  238    HA   ALA  31           HA       ALA  31   6.751   1.310  -1.329
  239   1HB   ALA  31          1HB       ALA  31   5.395   1.963  -3.122
  240   2HB   ALA  31          2HB       ALA  31   4.615   3.242  -2.190
  241   3HB   ALA  31          3HB       ALA  31   4.184   1.556  -1.905
  242    H    SER  32           H        SER  32   7.674   2.902   0.726
  243    HA   SER  32           HA       SER  32   8.156   5.574  -0.557
  244   1HB   SER  32          2HB       SER  32   7.518   4.635   2.126
  245   2HB   SER  32          1HB       SER  32   8.976   5.624   2.123
  246    HG   SER  32           HG       SER  32   7.646   7.239   1.991
  247    HA   PRO  33           HA       PRO  33  12.325   4.151  -1.049
  248   1HB   PRO  33          2HB       PRO  33  13.427   6.560  -1.739
  249   2HB   PRO  33          1HB       PRO  33  12.447   5.592  -2.858
  250   1HG   PRO  33          2HG       PRO  33  11.690   7.983  -1.261
  251   2HG   PRO  33          1HG       PRO  33  11.212   7.524  -2.902
  252   1HD   PRO  33          2HD       PRO  33   9.615   7.199  -0.705
  253   2HD   PRO  33          1HD       PRO  33   9.500   6.197  -2.169
  254    H    PHE  34           H        PHE  34  13.359   3.688   0.876
  255    HA   PHE  34           HA       PHE  34  13.420   5.216   3.227
  256   1HB   PHE  34          2HB       PHE  34  15.072   3.662   3.901
  257   2HB   PHE  34          1HB       PHE  34  14.175   2.799   2.654
  258    HD1  PHE  34           1HD      PHE  34  17.339   3.141   3.776
  259    HD2  PHE  34           2HD      PHE  34  15.132   3.771   0.144
  260    HE1  PHE  34           1HE      PHE  34  19.427   2.885   2.461
  261    HE2  PHE  34           2HE      PHE  34  17.220   3.513  -1.169
  262    HZ   PHE  34           HZ       PHE  34  19.368   3.071  -0.011
  Start of MODEL   14
    1   1H    GLU   1          1HT       GLU   1 -10.993   4.497  -2.562
    2   2H    GLU   1          2HT       GLU   1  -9.855   3.562  -1.716
    3   3H    GLU   1          3HT       GLU   1  -9.547   4.033  -3.319
    4    HA   GLU   1           HA       GLU   1  -9.073   6.214  -2.747
    5   1HB   GLU   1          2HB       GLU   1  -9.914   7.066  -0.510
    6   2HB   GLU   1          1HB       GLU   1 -11.184   6.591  -1.635
    7   1HG   GLU   1          2HG       GLU   1 -11.918   4.975  -0.246
    8   2HG   GLU   1          1HG       GLU   1 -10.290   4.325  -0.051
    9    H    CYS   2           H        CYS   2  -7.917   7.080  -0.441
   10    HA   CYS   2           HA       CYS   2  -5.455   5.725  -0.247
   11   1HB   CYS   2          2HB       CYS   2  -6.411   8.043   0.620
   12   2HB   CYS   2          1HB       CYS   2  -6.638   7.140   2.118
   13    H    GLY   3           H        GLY   3  -5.088   3.668   0.495
   14   1HA   GLY   3          2HA       GLY   3  -6.910   2.598   2.606
   15   2HA   GLY   3          1HA       GLY   3  -6.029   1.597   1.453
   16    H    LYS   4           H        LYS   4  -6.015   1.650   4.462
   17    HA   LYS   4           HA       LYS   4  -3.335   2.582   5.216
   18   1HB   LYS   4          2HB       LYS   4  -5.770   2.031   6.451
   19   2HB   LYS   4          1HB       LYS   4  -4.721   0.726   7.002
   20   1HG   LYS   4          2HG       LYS   4  -3.230   3.170   7.072
   21   2HG   LYS   4          1HG       LYS   4  -4.767   3.429   7.901
   22   1HD   LYS   4          2HD       LYS   4  -3.678   0.844   8.603
   23   2HD   LYS   4          1HD       LYS   4  -2.493   2.112   8.919
   24   1HE   LYS   4          2HE       LYS   4  -5.013   3.115   9.788
   25   2HE   LYS   4          1HE       LYS   4  -4.844   1.475  10.446
   26   1HZ   LYS   4          1HZ       LYS   4  -2.597   2.040  11.163
   27   2HZ   LYS   4          2HZ       LYS   4  -3.736   3.077  11.877
   28   3HZ   LYS   4          3HZ       LYS   4  -2.788   3.619  10.574
   29    H    PHE   5           H        PHE   5  -1.635   1.101   5.941
   30    HA   PHE   5           HA       PHE   5  -0.885  -0.969   4.283
   31   1HB   PHE   5          2HB       PHE   5   0.425   0.093   6.136
   32   2HB   PHE   5          1HB       PHE   5  -0.498  -0.871   7.288
   33    HD1  PHE   5           1HD      PHE   5   0.922  -2.534   8.152
   34    HD2  PHE   5           2HD      PHE   5   0.953  -1.734   3.931
   35    HE1  PHE   5           1HE      PHE   5   2.494  -4.414   7.807
   36    HE2  PHE   5           2HE      PHE   5   2.518  -3.623   3.595
   37    HZ   PHE   5           HZ       PHE   5   3.299  -4.950   5.523
   38    H    MET   6           H        MET   6  -1.100  -3.256   4.344
   39    HA   MET   6           HA       MET   6  -2.093  -5.327   4.851
   40   1HB   MET   6          2HB       MET   6  -2.175  -3.812   7.218
   41   2HB   MET   6          1HB       MET   6  -3.796  -4.480   7.031
   42   1HG   MET   6          2HG       MET   6  -3.058  -6.675   7.159
   43   2HG   MET   6          1HG       MET   6  -1.446  -6.276   6.565
   44   1HE   MET   6          1HE       MET   6   0.607  -5.042   8.823
   45   2HE   MET   6          2HE       MET   6   0.250  -6.130   7.484
   46   3HE   MET   6          3HE       MET   6   0.539  -6.790   9.091
   47    H    TRP   7           H        TRP   7  -3.691  -2.565   3.896
   48    HA   TRP   7           HA       TRP   7  -6.436  -3.483   4.001
   49   1HB   TRP   7          2HB       TRP   7  -4.860  -1.285   2.756
   50   2HB   TRP   7          1HB       TRP   7  -6.418  -1.660   2.026
   51    HD1  TRP   7           HD       TRP   7  -5.555  -1.874   5.772
   52    HE1  TRP   7           1HE      TRP   7  -7.155  -0.293   7.047
   53    HE3  TRP   7           3HE      TRP   7  -7.966   0.298   1.850
   54    HZ2  TRP   7           2HZ      TRP   7  -9.162   1.617   6.486
   55    HZ3  TRP   7           3HZ      TRP   7  -9.729   2.005   2.242
   56    HH2  TRP   7           HH       TRP   7 -10.331   2.669   4.557
   57    H    LYS   8           H        LYS   8  -7.333  -5.015   2.742
   58    HA   LYS   8           HA       LYS   8  -5.985  -6.481   0.715
   59   1HB   LYS   8          2HB       LYS   8  -8.020  -7.088   2.126
   60   2HB   LYS   8          1HB       LYS   8  -8.973  -6.076   1.041
   61   1HG   LYS   8          2HG       LYS   8  -7.225  -7.969  -0.370
   62   2HG   LYS   8          1HG       LYS   8  -8.439  -8.754   0.643
   63   1HD   LYS   8          2HD       LYS   8  -9.981  -8.330  -0.935
   64   2HD   LYS   8          1HD       LYS   8  -9.744  -6.604  -0.662
   65   1HE   LYS   8          2HE       LYS   8  -9.143  -6.678  -2.897
   66   2HE   LYS   8          1HE       LYS   8  -7.570  -7.110  -2.198
   67   1HZ   LYS   8          1HZ       LYS   8  -8.502  -8.702  -3.916
   68   2HZ   LYS   8          2HZ       LYS   8  -9.661  -9.133  -2.751
   69   3HZ   LYS   8          3HZ       LYS   8  -8.010  -9.388  -2.445
   70    H    CYS   9           H        CYS   9  -5.531  -5.864  -1.353
   71    HA   CYS   9           HA       CYS   9  -7.310  -3.858  -2.683
   72   1HB   CYS   9          2HB       CYS   9  -4.989  -3.104  -3.668
   73   2HB   CYS   9          1HB       CYS   9  -5.456  -2.575  -2.054
   74    H    LYS  10           H        LYS  10  -6.157  -3.768  -5.140
   75    HA   LYS  10           HA       LYS  10  -6.304  -6.612  -6.081
   76   1HB   LYS  10          2HB       LYS  10  -7.376  -5.727  -8.037
   77   2HB   LYS  10          1HB       LYS  10  -8.112  -4.901  -6.664
   78   1HG   LYS  10          2HG       LYS  10  -6.469  -3.028  -6.994
   79   2HG   LYS  10          1HG       LYS  10  -5.929  -3.829  -8.469
   80   1HD   LYS  10          2HD       LYS  10  -8.814  -3.060  -7.957
   81   2HD   LYS  10          1HD       LYS  10  -7.677  -2.031  -8.827
   82   1HE   LYS  10          2HE       LYS  10  -7.300  -4.400 -10.137
   83   2HE   LYS  10          1HE       LYS  10  -9.023  -4.512  -9.722
   84   1HZ   LYS  10          1HZ       LYS  10  -7.642  -2.312 -11.154
   85   2HZ   LYS  10          2HZ       LYS  10  -9.200  -2.145 -10.497
   86   3HZ   LYS  10          3HZ       LYS  10  -8.910  -3.284 -11.724
   87    H    ASN  11           H        ASN  11  -4.607  -3.524  -6.452
   88    HA   ASN  11           HA       ASN  11  -2.161  -4.875  -7.290
   89   1HB   ASN  11          2HB       ASN  11  -4.140  -4.228  -9.216
   90   2HB   ASN  11          1HB       ASN  11  -2.821  -3.078  -9.440
   91   1HD2  ASN  11          1HD2      ASN  11  -1.865  -4.027 -11.321
   92   2HD2  ASN  11          2HD2      ASN  11  -1.185  -5.581 -11.327
   93    H    SER  12           H        SER  12  -3.961  -1.813  -7.206
   94    HA   SER  12           HA       SER  12  -2.183  -0.435  -5.531
   95   1HB   SER  12          2HB       SER  12  -1.305  -0.800  -8.289
   96   2HB   SER  12          1HB       SER  12  -1.350   0.901  -7.831
   97    HG   SER  12           HG       SER  12   0.585  -0.597  -7.320
   98    H    ASN  13           H        ASN  13  -5.038  -0.580  -6.374
   99    HA   ASN  13           HA       ASN  13  -5.511   2.246  -7.240
  100   1HB   ASN  13          2HB       ASN  13  -7.631   1.425  -8.017
  101   2HB   ASN  13          1HB       ASN  13  -6.433   0.224  -8.498
  102   1HD2  ASN  13          1HD2      ASN  13  -9.436   0.026  -7.694
  103   2HD2  ASN  13          2HD2      ASN  13  -9.451  -1.222  -6.545
  104    H    ASP  14           H        ASP  14  -5.329   0.409  -4.460
  105    HA   ASP  14           HA       ASP  14  -7.264   2.207  -3.038
  106   1HB   ASP  14          2HB       ASP  14  -6.881  -0.762  -3.060
  107   2HB   ASP  14          1HB       ASP  14  -7.365  -0.007  -1.540
  108    H    CYS  15           H        CYS  15  -4.064   1.285  -3.388
  109    HA   CYS  15           HA       CYS  15  -3.256   1.290  -0.583
  110   1HB   CYS  15          2HB       CYS  15  -1.706   1.568  -3.176
  111   2HB   CYS  15          1HB       CYS  15  -1.023   1.150  -1.604
  112    H    CYS  16           H        CYS  16  -2.636   3.039   0.606
  113    HA   CYS  16           HA       CYS  16  -3.157   5.733  -0.212
  114   1HB   CYS  16          2HB       CYS  16  -1.842   4.279   2.038
  115   2HB   CYS  16          1HB       CYS  16  -1.506   6.005   1.896
  116    H    LYS  17           H        LYS  17  -1.344   7.468  -0.165
  117    HA   LYS  17           HA       LYS  17   0.492   7.110  -2.256
  118   1HB   LYS  17          2HB       LYS  17  -0.322   9.229  -1.046
  119   2HB   LYS  17          1HB       LYS  17   0.941   8.898   0.141
  120   1HG   LYS  17          2HG       LYS  17   2.510   8.710  -1.936
  121   2HG   LYS  17          1HG       LYS  17   1.231   9.584  -2.778
  122   1HD   LYS  17          2HD       LYS  17   1.414  11.125  -0.578
  123   2HD   LYS  17          1HD       LYS  17   3.070  10.518  -0.633
  124   1HE   LYS  17          2HE       LYS  17   3.023  11.177  -3.144
  125   2HE   LYS  17          1HE       LYS  17   1.606  12.152  -2.709
  126   1HZ   LYS  17          1HZ       LYS  17   3.178  12.780  -0.703
  127   2HZ   LYS  17          2HZ       LYS  17   3.231  13.630  -2.172
  128   3HZ   LYS  17          3HZ       LYS  17   4.386  12.428  -1.839
  129    H    ASP  18           H        ASP  18   2.823   6.745  -2.197
  130    HA   ASP  18           HA       ASP  18   4.746   5.576  -1.477
  131   1HB   ASP  18          2HB       ASP  18   3.529   6.738   1.029
  132   2HB   ASP  18          1HB       ASP  18   4.989   5.753   1.120
  133    H    LEU  19           H        LEU  19   1.842   4.366  -1.434
  134    HA   LEU  19           HA       LEU  19   2.629   1.845  -0.035
  135   1HB   LEU  19          2HB       LEU  19   0.830   3.490   1.001
  136   2HB   LEU  19          1HB       LEU  19  -0.221   2.786  -0.226
  137    HG   LEU  19           HG       LEU  19   0.381   0.508   0.636
  138   1HD1  LEU  19          1HD1      LEU  19   2.549   1.414   1.711
  139   2HD1  LEU  19          2HD1      LEU  19   1.618   0.257   2.657
  140   3HD1  LEU  19          3HD1      LEU  19   1.520   1.979   3.023
  141   1HD2  LEU  19          1HD2      LEU  19  -1.338   2.462   1.765
  142   2HD2  LEU  19          2HD2      LEU  19  -0.603   1.606   3.118
  143   3HD2  LEU  19          3HD2      LEU  19  -1.490   0.711   1.885
  144    H    VAL  20           H        VAL  20   2.265   0.003  -1.279
  145    HA   VAL  20           HA       VAL  20   0.623   0.295  -3.757
  146    HB   VAL  20           HB       VAL  20   2.551  -0.882  -4.936
  147   1HG1  VAL  20          1HG1      VAL  20   2.050   1.656  -4.882
  148   2HG1  VAL  20          2HG1      VAL  20   3.662   1.157  -5.391
  149   3HG1  VAL  20          3HG1      VAL  20   3.402   1.762  -3.755
  150   1HG2  VAL  20          1HG2      VAL  20   3.480  -1.379  -2.454
  151   2HG2  VAL  20          2HG2      VAL  20   4.359   0.113  -2.789
  152   3HG2  VAL  20          3HG2      VAL  20   4.543  -1.278  -3.857
  153    H    CYS  21           H        CYS  21  -0.586  -1.526  -4.157
  154    HA   CYS  21           HA       CYS  21  -0.863  -3.616  -2.254
  155   1HB   CYS  21          2HB       CYS  21  -2.378  -2.746  -4.179
  156   2HB   CYS  21          1HB       CYS  21  -1.476  -3.863  -5.197
  157    H    SER  22           H        SER  22   0.098  -5.673  -2.120
  158    HA   SER  22           HA       SER  22   2.022  -6.447  -4.263
  159   1HB   SER  22          2HB       SER  22   2.664  -6.392  -1.309
  160   2HB   SER  22          1HB       SER  22   3.780  -6.730  -2.630
  161    HG   SER  22           HG       SER  22   2.951  -4.506  -3.350
  162    H    SER  23           H        SER  23   1.937  -8.592  -4.695
  163    HA   SER  23           HA       SER  23   0.056 -10.326  -3.412
  164   1HB   SER  23          2HB       SER  23   1.913 -10.282  -5.652
  165   2HB   SER  23          1HB       SER  23   1.902 -11.857  -4.862
  166    HG   SER  23           HG       SER  23   0.263 -11.824  -6.372
  167    H    ARG  24           H        ARG  24   3.392  -9.534  -2.865
  168    HA   ARG  24           HA       ARG  24   4.049 -11.937  -1.328
  169   1HB   ARG  24          2HB       ARG  24   5.475 -10.075  -2.660
  170   2HB   ARG  24          1HB       ARG  24   5.532  -9.358  -1.049
  171   1HG   ARG  24          2HG       ARG  24   6.122 -12.283  -1.346
  172   2HG   ARG  24          1HG       ARG  24   7.366 -11.115  -1.793
  173   1HD   ARG  24          2HD       ARG  24   6.118 -10.415   0.753
  174   2HD   ARG  24          1HD       ARG  24   6.861 -12.027   0.797
  175    HE   ARG  24           HE       ARG  24   8.303  -9.527   0.553
  176   1HH1  ARG  24          1HH1      ARG  24   8.249 -12.909  -0.079
  177   2HH1  ARG  24          2HH1      ARG  24   9.920 -12.989  -0.526
  178   1HH2  ARG  24          1HH2      ARG  24  10.453  -9.580  -0.187
  179   2HH2  ARG  24          2HH2      ARG  24  11.166 -11.106  -0.587
  180    H    TRP  25           H        TRP  25   2.970  -8.635  -0.701
  181    HA   TRP  25           HA       TRP  25   2.930  -9.151   2.229
  182   1HB   TRP  25          2HB       TRP  25   2.371  -6.669   0.577
  183   2HB   TRP  25          1HB       TRP  25   2.512  -6.724   2.336
  184    HD1  TRP  25           HD       TRP  25   4.552  -6.181  -0.676
  185    HE1  TRP  25           1HE      TRP  25   7.064  -6.310  -0.124
  186    HE3  TRP  25           3HE      TRP  25   4.345  -8.240   3.997
  187    HZ2  TRP  25           2HZ      TRP  25   8.744  -7.153   1.966
  188    HZ3  TRP  25           3HZ      TRP  25   6.438  -8.699   5.247
  189    HH2  TRP  25           HH       TRP  25   8.641  -8.160   4.240
  190    H    LYS  26           H        LYS  26   0.962  -9.611  -0.410
  191    HA   LYS  26           HA       LYS  26  -1.342  -9.919  -0.702
  192   1HB   LYS  26          2HB       LYS  26  -2.206 -11.329   0.955
  193   2HB   LYS  26          1HB       LYS  26  -0.471 -11.491   1.191
  194   1HG   LYS  26          2HG       LYS  26  -1.555  -9.272   2.754
  195   2HG   LYS  26          1HG       LYS  26  -2.350 -10.792   3.135
  196   1HD   LYS  26          2HD       LYS  26   0.659 -10.405   3.079
  197   2HD   LYS  26          1HD       LYS  26  -0.323 -10.406   4.534
  198   1HE   LYS  26          2HE       LYS  26  -1.103 -12.738   3.194
  199   2HE   LYS  26          1HE       LYS  26   0.661 -12.675   3.004
  200   1HZ   LYS  26          1HZ       LYS  26   0.979 -12.475   5.293
  201   2HZ   LYS  26          2HZ       LYS  26  -0.237 -13.656   5.164
  202   3HZ   LYS  26          3HZ       LYS  26  -0.639 -12.061   5.587
  203    H    TRP  27           H        TRP  27  -0.495  -7.199  -0.098
  204    HA   TRP  27           HA       TRP  27  -3.007  -5.931   0.193
  205   1HB   TRP  27          2HB       TRP  27  -2.804  -5.083   2.536
  206   2HB   TRP  27          1HB       TRP  27  -3.010  -6.825   2.462
  207    HD1  TRP  27           HD       TRP  27   0.240  -4.736   2.098
  208    HE1  TRP  27           1HE      TRP  27   1.936  -5.587   3.834
  209    HE3  TRP  27           3HE      TRP  27  -2.620  -8.191   4.503
  210    HZ2  TRP  27           2HZ      TRP  27   2.065  -7.445   5.953
  211    HZ3  TRP  27           3HZ      TRP  27  -1.691  -9.483   6.404
  212    HH2  TRP  27           HH       TRP  27   0.652  -9.117   7.136
  213    H    CYS  28           H        CYS  28  -2.682  -3.483   0.760
  214    HA   CYS  28           HA       CYS  28  -0.627  -2.376  -0.877
  215   1HB   CYS  28          2HB       CYS  28  -2.287  -1.274   1.416
  216   2HB   CYS  28          1HB       CYS  28  -1.324  -0.265   0.334
  217    H    VAL  29           H        VAL  29   1.512  -1.802  -0.360
  218    HA   VAL  29           HA       VAL  29   2.336  -2.209   2.487
  219    HB   VAL  29           HB       VAL  29   4.128  -2.836   0.216
  220   1HG1  VAL  29          1HG1      VAL  29   5.288  -4.063   1.769
  221   2HG1  VAL  29          2HG1      VAL  29   3.825  -4.537   2.631
  222   3HG1  VAL  29          3HG1      VAL  29   4.503  -2.924   2.862
  223   1HG2  VAL  29          1HG2      VAL  29   1.934  -3.943  -0.299
  224   2HG2  VAL  29          2HG2      VAL  29   2.026  -4.750   1.265
  225   3HG2  VAL  29          3HG2      VAL  29   3.224  -5.095   0.023
  226    H    LEU  30           H        LEU  30   4.103  -0.964   3.210
  227    HA   LEU  30           HA       LEU  30   4.266   1.727   2.304
  228   1HB   LEU  30          2HB       LEU  30   6.414   1.621   3.755
  229   2HB   LEU  30          1HB       LEU  30   4.883   1.237   4.534
  230    HG   LEU  30           HG       LEU  30   5.927  -1.169   3.365
  231   1HD1  LEU  30          1HD1      LEU  30   7.930  -1.104   5.151
  232   2HD1  LEU  30          2HD1      LEU  30   7.903   0.607   4.721
  233   3HD1  LEU  30          3HD1      LEU  30   8.159  -0.612   3.473
  234   1HD2  LEU  30          1HD2      LEU  30   5.082  -1.952   5.306
  235   2HD2  LEU  30          2HD2      LEU  30   4.618  -0.291   5.675
  236   3HD2  LEU  30          3HD2      LEU  30   6.155  -0.929   6.260
  237    H    ALA  31           H        ALA  31   4.565   1.089  -0.098
  238    HA   ALA  31           HA       ALA  31   5.965   0.719  -1.992
  239   1HB   ALA  31          1HB       ALA  31   7.475   2.556  -2.123
  240   2HB   ALA  31          2HB       ALA  31   7.772   2.533  -0.384
  241   3HB   ALA  31          3HB       ALA  31   6.220   3.094  -1.007
  242    H    SER  32           H        SER  32   6.328  -1.508  -0.470
  243    HA   SER  32           HA       SER  32   7.883  -3.207   0.067
  244   1HB   SER  32          2HB       SER  32   9.256  -3.518  -1.737
  245   2HB   SER  32          1HB       SER  32   8.409  -2.119  -2.391
  246    HG   SER  32           HG       SER  32  10.950  -2.311  -1.950
  247    HA   PRO  33           HA       PRO  33  10.694  -1.784   3.122
  248   1HB   PRO  33          2HB       PRO  33  12.862  -3.438   2.874
  249   2HB   PRO  33          1HB       PRO  33  11.305  -3.980   3.532
  250   1HG   PRO  33          2HG       PRO  33  12.446  -4.366   0.812
  251   2HG   PRO  33          1HG       PRO  33  11.502  -5.484   1.810
  252   1HD   PRO  33          2HD       PRO  33  10.447  -4.066  -0.269
  253   2HD   PRO  33          1HD       PRO  33   9.500  -4.597   1.136
  254    H    PHE  34           H        PHE  34  10.839   0.011   1.114
  255    HA   PHE  34           HA       PHE  34  13.777   0.413   0.648
  256   1HB   PHE  34          2HB       PHE  34  12.489  -0.161  -1.379
  257   2HB   PHE  34          1HB       PHE  34  11.381   1.172  -1.056
  258    HD1  PHE  34           1HD      PHE  34  15.031   0.464  -1.530
  259    HD2  PHE  34           2HD      PHE  34  11.821   3.285  -1.960
  260    HE1  PHE  34           1HE      PHE  34  16.558   2.022  -2.709
  261    HE2  PHE  34           2HE      PHE  34  13.348   4.844  -3.139
  262    HZ   PHE  34           HZ       PHE  34  15.717   4.212  -3.513
  Start of MODEL   15
    1   1H    GLU   1          1HT       GLU   1 -11.449   8.285   0.383
    2   2H    GLU   1          2HT       GLU   1 -11.989   7.985   1.965
    3   3H    GLU   1          3HT       GLU   1 -11.665   6.689   0.915
    4    HA   GLU   1           HA       GLU   1  -9.515   8.593   1.616
    5   1HB   GLU   1          2HB       GLU   1  -9.061   7.269   3.590
    6   2HB   GLU   1          1HB       GLU   1 -10.751   7.770   3.663
    7   1HG   GLU   1          2HG       GLU   1 -10.961   5.429   2.269
    8   2HG   GLU   1          1HG       GLU   1  -9.598   5.070   3.329
    9    H    CYS   2           H        CYS   2  -7.705   6.618   2.220
   10    HA   CYS   2           HA       CYS   2  -7.586   4.993  -0.302
   11   1HB   CYS   2          2HB       CYS   2  -5.160   5.322  -0.148
   12   2HB   CYS   2          1HB       CYS   2  -5.989   6.875  -0.171
   13    H    GLY   3           H        GLY   3  -6.166   3.003  -0.014
   14   1HA   GLY   3          2HA       GLY   3  -7.066   1.560   2.355
   15   2HA   GLY   3          1HA       GLY   3  -6.103   0.889   1.039
   16    H    LYS   4           H        LYS   4  -5.961   1.486   4.240
   17    HA   LYS   4           HA       LYS   4  -3.263   2.602   4.472
   18   1HB   LYS   4          2HB       LYS   4  -4.814   2.995   6.241
   19   2HB   LYS   4          1HB       LYS   4  -5.267   1.291   6.315
   20   1HG   LYS   4          2HG       LYS   4  -3.767   1.808   8.166
   21   2HG   LYS   4          1HG       LYS   4  -2.944   0.743   7.026
   22   1HD   LYS   4          2HD       LYS   4  -1.297   2.265   6.880
   23   2HD   LYS   4          1HD       LYS   4  -2.449   3.367   6.123
   24   1HE   LYS   4          2HE       LYS   4  -2.752   4.583   8.048
   25   2HE   LYS   4          1HE       LYS   4  -2.590   3.156   9.091
   26   1HZ   LYS   4          1HZ       LYS   4  -0.645   4.940   8.794
   27   2HZ   LYS   4          2HZ       LYS   4  -0.251   3.884   7.523
   28   3HZ   LYS   4          3HZ       LYS   4  -0.351   3.302   9.117
   29    H    PHE   5           H        PHE   5  -1.406   1.331   5.232
   30    HA   PHE   5           HA       PHE   5  -0.757  -0.965   3.881
   31   1HB   PHE   5          2HB       PHE   5   0.802   0.271   5.292
   32   2HB   PHE   5          1HB       PHE   5  -0.068  -0.237   6.740
   33    HD1  PHE   5           1HD      PHE   5   2.177  -1.318   4.025
   34    HD2  PHE   5           2HD      PHE   5   0.067  -2.563   7.557
   35    HE1  PHE   5           1HE      PHE   5   3.535  -3.383   4.108
   36    HE2  PHE   5           2HE      PHE   5   1.430  -4.627   7.636
   37    HZ   PHE   5           HZ       PHE   5   3.164  -5.035   5.912
   38    H    MET   6           H        MET   6  -0.880  -3.198   4.281
   39    HA   MET   6           HA       MET   6  -1.713  -5.198   5.181
   40   1HB   MET   6          2HB       MET   6  -1.637  -3.372   7.310
   41   2HB   MET   6          1HB       MET   6  -3.254  -4.072   7.369
   42   1HG   MET   6          2HG       MET   6  -2.477  -6.155   7.898
   43   2HG   MET   6          1HG       MET   6  -1.040  -5.985   6.888
   44   1HE   MET   6          1HE       MET   6   0.003  -7.375   9.125
   45   2HE   MET   6          2HE       MET   6   1.285  -6.303   9.681
   46   3HE   MET   6          3HE       MET   6   0.940  -6.433   7.958
   47    H    TRP   7           H        TRP   7  -3.407  -2.778   3.816
   48    HA   TRP   7           HA       TRP   7  -6.118  -3.901   4.261
   49   1HB   TRP   7          2HB       TRP   7  -4.900  -1.483   2.945
   50   2HB   TRP   7          1HB       TRP   7  -6.558  -1.934   2.580
   51    HD1  TRP   7           HD       TRP   7  -4.883  -2.291   6.029
   52    HE1  TRP   7           1HE      TRP   7  -6.200  -0.836   7.711
   53    HE3  TRP   7           3HE      TRP   7  -8.144   0.013   2.859
   54    HZ2  TRP   7           2HZ      TRP   7  -8.319   1.032   7.717
   55    HZ3  TRP   7           3HZ      TRP   7  -9.810   1.635   3.730
   56    HH2  TRP   7           HH       TRP   7  -9.902   2.150   6.156
   57    H    LYS   8           H        LYS   8  -7.080  -5.272   2.788
   58    HA   LYS   8           HA       LYS   8  -5.642  -6.521   0.675
   59   1HB   LYS   8          2HB       LYS   8  -8.620  -6.151   1.161
   60   2HB   LYS   8          1HB       LYS   8  -7.929  -7.330   0.046
   61   1HG   LYS   8          2HG       LYS   8  -6.497  -7.877   2.296
   62   2HG   LYS   8          1HG       LYS   8  -8.028  -7.366   3.005
   63   1HD   LYS   8          2HD       LYS   8  -9.125  -8.956   1.277
   64   2HD   LYS   8          1HD       LYS   8  -7.510  -9.645   1.100
   65   1HE   LYS   8          2HE       LYS   8  -7.819  -9.485   3.858
   66   2HE   LYS   8          1HE       LYS   8  -9.424  -9.983   3.289
   67   1HZ   LYS   8          1HZ       LYS   8  -7.521 -11.740   3.594
   68   2HZ   LYS   8          2HZ       LYS   8  -7.056 -11.195   2.054
   69   3HZ   LYS   8          3HZ       LYS   8  -8.604 -11.853   2.294
   70    H    CYS   9           H        CYS   9  -5.297  -5.895  -1.436
   71    HA   CYS   9           HA       CYS   9  -6.829  -3.533  -2.463
   72   1HB   CYS   9          2HB       CYS   9  -4.515  -3.007  -3.538
   73   2HB   CYS   9          1HB       CYS   9  -4.734  -2.673  -1.823
   74    H    LYS  10           H        LYS  10  -6.292  -3.319  -4.945
   75    HA   LYS  10           HA       LYS  10  -6.823  -5.972  -6.170
   76   1HB   LYS  10          2HB       LYS  10  -8.302  -4.714  -7.339
   77   2HB   LYS  10          1HB       LYS  10  -7.756  -3.288  -6.464
   78   1HG   LYS  10          2HG       LYS  10  -7.455  -2.782  -8.782
   79   2HG   LYS  10          1HG       LYS  10  -5.844  -3.151  -8.163
   80   1HD   LYS  10          2HD       LYS  10  -5.872  -4.465 -10.080
   81   2HD   LYS  10          1HD       LYS  10  -6.474  -5.617  -8.887
   82   1HE   LYS  10          2HE       LYS  10  -8.174  -5.871 -10.420
   83   2HE   LYS  10          1HE       LYS  10  -8.809  -4.410  -9.637
   84   1HZ   LYS  10          1HZ       LYS  10  -8.667  -3.921 -11.935
   85   2HZ   LYS  10          2HZ       LYS  10  -7.104  -4.577 -12.059
   86   3HZ   LYS  10          3HZ       LYS  10  -7.357  -3.128 -11.208
   87    H    ASN  11           H        ASN  11  -4.515  -3.299  -6.236
   88    HA   ASN  11           HA       ASN  11  -2.325  -4.886  -7.126
   89   1HB   ASN  11          2HB       ASN  11  -4.266  -4.185  -9.116
   90   2HB   ASN  11          1HB       ASN  11  -2.758  -3.351  -9.488
   91   1HD2  ASN  11          1HD2      ASN  11  -0.875  -4.658 -10.005
   92   2HD2  ASN  11          2HD2      ASN  11  -1.001  -6.324 -10.309
   93    H    SER  12           H        SER  12  -3.840  -1.718  -6.892
   94    HA   SER  12           HA       SER  12  -1.665  -0.435  -5.680
   95   1HB   SER  12          2HB       SER  12  -1.292  -0.987  -8.468
   96   2HB   SER  12          1HB       SER  12  -1.365   0.758  -8.242
   97    HG   SER  12           HG       SER  12   0.176  -0.900  -6.552
   98    H    ASN  13           H        ASN  13  -4.527  -0.212  -7.656
   99    HA   ASN  13           HA       ASN  13  -4.833   2.675  -7.485
  100   1HB   ASN  13          2HB       ASN  13  -5.886   0.581  -8.944
  101   2HB   ASN  13          1HB       ASN  13  -7.226   1.015  -7.882
  102   1HD2  ASN  13          1HD2      ASN  13  -4.847   2.535 -10.121
  103   2HD2  ASN  13          2HD2      ASN  13  -5.882   3.790 -10.607
  104    H    ASP  14           H        ASP  14  -4.855   0.514  -5.031
  105    HA   ASP  14           HA       ASP  14  -7.026   1.990  -3.572
  106   1HB   ASP  14          2HB       ASP  14  -6.258  -0.939  -3.612
  107   2HB   ASP  14          1HB       ASP  14  -7.316  -0.251  -2.380
  108    H    CYS  15           H        CYS  15  -3.731   1.443  -3.723
  109    HA   CYS  15           HA       CYS  15  -3.261   1.248  -0.821
  110   1HB   CYS  15          2HB       CYS  15  -1.466   1.521  -3.250
  111   2HB   CYS  15          1HB       CYS  15  -0.896   1.213  -1.610
  112    H    CYS  16           H        CYS  16  -2.946   2.962   0.474
  113    HA   CYS  16           HA       CYS  16  -3.416   5.647  -0.130
  114   1HB   CYS  16          2HB       CYS  16  -1.680   4.258   1.910
  115   2HB   CYS  16          1HB       CYS  16  -1.946   6.000   1.946
  116    H    LYS  17           H        LYS  17  -1.801   7.473  -0.066
  117    HA   LYS  17           HA       LYS  17   0.016   7.443  -2.193
  118   1HB   LYS  17          2HB       LYS  17  -0.871   9.454  -1.082
  119   2HB   LYS  17          1HB       LYS  17   0.024   9.053   0.383
  120   1HG   LYS  17          2HG       LYS  17   2.148   9.190  -0.947
  121   2HG   LYS  17          1HG       LYS  17   1.199   9.759  -2.321
  122   1HD   LYS  17          2HD       LYS  17   1.493  11.109   0.377
  123   2HD   LYS  17          1HD       LYS  17   2.081  11.701  -1.177
  124   1HE   LYS  17          2HE       LYS  17  -0.843  11.295  -0.439
  125   2HE   LYS  17          1HE       LYS  17  -0.015  12.858  -0.592
  126   1HZ   LYS  17          1HZ       LYS  17  -0.922  11.057  -2.657
  127   2HZ   LYS  17          2HZ       LYS  17   0.674  11.594  -2.877
  128   3HZ   LYS  17          3HZ       LYS  17  -0.591  12.718  -2.740
  129    H    ASP  18           H        ASP  18   2.324   7.175  -2.243
  130    HA   ASP  18           HA       ASP  18   4.358   6.123  -1.647
  131   1HB   ASP  18          2HB       ASP  18   3.225   7.116   0.980
  132   2HB   ASP  18          1HB       ASP  18   4.822   6.374   0.868
  133    H    LEU  19           H        LEU  19   1.732   4.590  -1.689
  134    HA   LEU  19           HA       LEU  19   2.700   2.221  -0.142
  135   1HB   LEU  19          2HB       LEU  19   0.731   3.720   0.803
  136   2HB   LEU  19          1HB       LEU  19  -0.226   2.861  -0.402
  137    HG   LEU  19           HG       LEU  19   0.487   0.703   0.558
  138   1HD1  LEU  19          1HD1      LEU  19   1.992   2.502   2.480
  139   2HD1  LEU  19          2HD1      LEU  19   2.667   1.268   1.423
  140   3HD1  LEU  19          3HD1      LEU  19   1.673   0.797   2.797
  141   1HD2  LEU  19          1HD2      LEU  19  -1.027   0.769   2.312
  142   2HD2  LEU  19          2HD2      LEU  19  -1.438   2.283   1.505
  143   3HD2  LEU  19          3HD2      LEU  19  -0.400   2.296   2.932
  144    H    VAL  20           H        VAL  20   2.296   0.221  -1.207
  145    HA   VAL  20           HA       VAL  20   0.896   0.368  -3.847
  146    HB   VAL  20           HB       VAL  20   2.844  -0.998  -4.729
  147   1HG1  VAL  20          1HG1      VAL  20   3.408   1.776  -3.640
  148   2HG1  VAL  20          2HG1      VAL  20   2.685   1.395  -5.203
  149   3HG1  VAL  20          3HG1      VAL  20   4.367   0.973  -4.884
  150   1HG2  VAL  20          1HG2      VAL  20   3.986  -0.181  -2.041
  151   2HG2  VAL  20          2HG2      VAL  20   4.955  -0.804  -3.377
  152   3HG2  VAL  20          3HG2      VAL  20   3.730  -1.825  -2.624
  153    H    CYS  21           H        CYS  21  -0.108  -1.582  -4.456
  154    HA   CYS  21           HA       CYS  21  -0.851  -3.417  -2.355
  155   1HB   CYS  21          2HB       CYS  21  -2.161  -2.705  -4.405
  156   2HB   CYS  21          1HB       CYS  21  -1.085  -3.717  -5.363
  157    H    SER  22           H        SER  22  -0.076  -5.554  -1.980
  158    HA   SER  22           HA       SER  22   2.150  -6.483  -3.752
  159   1HB   SER  22          2HB       SER  22   2.155  -5.708  -0.899
  160   2HB   SER  22          1HB       SER  22   2.989  -7.216  -1.262
  161    HG   SER  22           HG       SER  22   4.095  -6.015  -2.936
  162    H    SER  23           H        SER  23   1.317  -8.380  -4.550
  163    HA   SER  23           HA       SER  23  -0.633 -10.018  -3.302
  164   1HB   SER  23          2HB       SER  23  -0.497 -10.632  -5.485
  165   2HB   SER  23          1HB       SER  23   1.146 -10.012  -5.624
  166    HG   SER  23           HG       SER  23   1.889 -11.952  -5.277
  167    H    ARG  24           H        ARG  24   2.821  -9.779  -2.930
  168    HA   ARG  24           HA       ARG  24   3.178 -12.380  -1.636
  169   1HB   ARG  24          2HB       ARG  24   4.827 -10.797  -2.953
  170   2HB   ARG  24          1HB       ARG  24   5.010 -10.002  -1.390
  171   1HG   ARG  24          2HG       ARG  24   5.213 -12.691  -0.751
  172   2HG   ARG  24          1HG       ARG  24   6.056 -12.580  -2.296
  173   1HD   ARG  24          2HD       ARG  24   7.617 -12.160  -0.417
  174   2HD   ARG  24          1HD       ARG  24   7.415 -10.689  -1.390
  175    HE   ARG  24           HE       ARG  24   5.883  -9.832   0.322
  176   1HH1  ARG  24          1HH2      ARG  24   8.373 -10.579   1.870
  177   2HH1  ARG  24          2HH2      ARG  24   7.704 -11.461   3.203
  178   1HH2  ARG  24          1HH1      ARG  24   4.622 -11.936   1.684
  179   2HH2  ARG  24          2HH1      ARG  24   5.581 -12.229   3.096
  180    H    TRP  25           H        TRP  25   2.975  -8.982  -0.623
  181    HA   TRP  25           HA       TRP  25   3.037  -9.665   2.234
  182   1HB   TRP  25          2HB       TRP  25   2.551  -7.124   0.645
  183   2HB   TRP  25          1HB       TRP  25   2.670  -7.174   2.404
  184    HD1  TRP  25           HD       TRP  25   4.752  -6.752  -0.583
  185    HE1  TRP  25           1HE      TRP  25   7.251  -7.018  -0.012
  186    HE3  TRP  25           3HE      TRP  25   4.397  -8.801   4.085
  187    HZ2  TRP  25           2HZ      TRP  25   8.865  -7.957   2.094
  188    HZ3  TRP  25           3HZ      TRP  25   6.448  -9.376   5.353
  189    HH2  TRP  25           HH       TRP  25   8.687  -8.959   4.365
  190    H    LYS  26           H        LYS  26   0.710  -9.578  -0.245
  191    HA   LYS  26           HA       LYS  26  -1.603  -9.987  -0.194
  192   1HB   LYS  26          2HB       LYS  26  -2.188 -11.316   1.561
  193   2HB   LYS  26          1HB       LYS  26  -0.496 -11.162   2.017
  194   1HG   LYS  26          2HG       LYS  26  -1.568  -8.892   3.136
  195   2HG   LYS  26          1HG       LYS  26  -2.899 -10.030   3.304
  196   1HD   LYS  26          2HD       LYS  26  -0.123 -10.156   4.452
  197   2HD   LYS  26          1HD       LYS  26  -1.673 -10.363   5.265
  198   1HE   LYS  26          2HE       LYS  26  -1.384 -12.605   5.063
  199   2HE   LYS  26          1HE       LYS  26  -1.577 -12.411   3.311
  200   1HZ   LYS  26          1HZ       LYS  26   0.650 -13.331   4.311
  201   2HZ   LYS  26          2HZ       LYS  26   0.988 -11.681   4.531
  202   3HZ   LYS  26          3HZ       LYS  26   0.668 -12.285   2.976
  203    H    TRP  27           H        TRP  27  -0.383  -7.176   0.274
  204    HA   TRP  27           HA       TRP  27  -2.850  -5.788   0.554
  205   1HB   TRP  27          2HB       TRP  27  -2.481  -4.862   2.857
  206   2HB   TRP  27          1HB       TRP  27  -2.771  -6.594   2.853
  207    HD1  TRP  27           HD       TRP  27   0.524  -4.660   2.236
  208    HE1  TRP  27           1HE      TRP  27   2.303  -5.544   3.865
  209    HE3  TRP  27           3HE      TRP  27  -2.291  -7.950   4.930
  210    HZ2  TRP  27           2HZ      TRP  27   2.517  -7.350   6.013
  211    HZ3  TRP  27           3HZ      TRP  27  -1.266  -9.230   6.792
  212    HH2  TRP  27           HH       TRP  27   1.134  -8.935   7.339
  213    H    CYS  28           H        CYS  28  -2.417  -3.354   1.059
  214    HA   CYS  28           HA       CYS  28  -0.408  -2.374  -0.749
  215   1HB   CYS  28          2HB       CYS  28  -2.119  -1.138   1.432
  216   2HB   CYS  28          1HB       CYS  28  -1.140  -0.171   0.325
  217    H    VAL  29           H        VAL  29   1.741  -2.847  -0.201
  218    HA   VAL  29           HA       VAL  29   2.646  -2.611   2.599
  219    HB   VAL  29           HB       VAL  29   4.739  -3.477   1.674
  220   1HG1  VAL  29          1HG1      VAL  29   3.385  -5.307   2.051
  221   2HG1  VAL  29          2HG1      VAL  29   3.575  -5.459   0.305
  222   3HG1  VAL  29          3HG1      VAL  29   2.117  -4.724   0.972
  223   1HG2  VAL  29          1HG2      VAL  29   5.115  -2.484  -0.384
  224   2HG2  VAL  29          2HG2      VAL  29   3.437  -2.653  -0.894
  225   3HG2  VAL  29          3HG2      VAL  29   4.508  -4.053  -0.911
  226    H    LEU  30           H        LEU  30   4.274  -1.168   3.287
  227    HA   LEU  30           HA       LEU  30   4.149   1.512   2.493
  228   1HB   LEU  30          2HB       LEU  30   6.432  -0.056   3.727
  229   2HB   LEU  30          1HB       LEU  30   6.269   1.699   3.782
  230    HG   LEU  30           HG       LEU  30   4.169  -0.206   4.851
  231   1HD1  LEU  30          1HD1      LEU  30   5.449   1.232   6.936
  232   2HD1  LEU  30          2HD1      LEU  30   6.730   0.524   5.951
  233   3HD1  LEU  30          3HD1      LEU  30   5.485  -0.509   6.654
  234   1HD2  LEU  30          1HD2      LEU  30   3.617   2.217   4.143
  235   2HD2  LEU  30          2HD2      LEU  30   4.605   2.709   5.518
  236   3HD2  LEU  30          3HD2      LEU  30   3.159   1.732   5.775
  237    H    ALA  31           H        ALA  31   4.881   2.544   0.683
  238    HA   ALA  31           HA       ALA  31   6.747   1.113  -1.127
  239   1HB   ALA  31          1HB       ALA  31   5.174   3.690  -1.429
  240   2HB   ALA  31          2HB       ALA  31   4.616   2.097  -1.941
  241   3HB   ALA  31          3HB       ALA  31   6.010   2.837  -2.726
  242    H    SER  32           H        SER  32   7.953   2.000   1.229
  243    HA   SER  32           HA       SER  32   9.667   3.428   2.067
  244   1HB   SER  32          2HB       SER  32  11.195   2.357   0.758
  245   2HB   SER  32          1HB       SER  32  10.171   2.461  -0.671
  246    HG   SER  32           HG       SER  32  11.633   4.623   0.452
  247    HA   PRO  33           HA       PRO  33   7.867   7.341   0.514
  248   1HB   PRO  33          2HB       PRO  33   7.391   8.409   2.984
  249   2HB   PRO  33          1HB       PRO  33   6.254   7.315   2.171
  250   1HG   PRO  33          2HG       PRO  33   8.130   6.780   4.396
  251   2HG   PRO  33          1HG       PRO  33   6.551   6.065   4.050
  252   1HD   PRO  33          2HD       PRO  33   9.012   4.873   3.542
  253   2HD   PRO  33          1HD       PRO  33   7.459   4.390   2.826
  254    H    PHE  34           H        PHE  34  10.531   7.087   0.251
  255    HA   PHE  34           HA       PHE  34  11.576   9.614   1.296
  256   1HB   PHE  34          2HB       PHE  34  13.142   8.733   2.812
  257   2HB   PHE  34          1HB       PHE  34  11.738   7.704   3.085
  258    HD1  PHE  34           1HD      PHE  34  14.934   7.923   1.164
  259    HD2  PHE  34           2HD      PHE  34  11.874   5.363   2.758
  260    HE1  PHE  34           1HE      PHE  34  16.284   5.935   0.558
  261    HE2  PHE  34           2HE      PHE  34  13.225   3.374   2.153
  262    HZ   PHE  34           HZ       PHE  34  15.430   3.659   1.052
  Start of MODEL   16
    1   1H    GLU   1          1HT       GLU   1  -9.754   4.140  -2.297
    2   2H    GLU   1          2HT       GLU   1 -11.277   4.893  -2.269
    3   3H    GLU   1          3HT       GLU   1 -10.885   3.720  -1.104
    4    HA   GLU   1           HA       GLU   1  -9.980   6.520  -1.294
    5   1HB   GLU   1          2HB       GLU   1 -10.680   4.767   1.069
    6   2HB   GLU   1          1HB       GLU   1 -10.769   6.525   0.955
    7   1HG   GLU   1          2HG       GLU   1 -12.612   6.369  -0.636
    8   2HG   GLU   1          1HG       GLU   1 -12.483   4.611  -0.654
    9    H    CYS   2           H        CYS   2  -8.356   6.910   0.658
   10    HA   CYS   2           HA       CYS   2  -5.838   5.830   0.046
   11   1HB   CYS   2          2HB       CYS   2  -6.631   7.824   1.527
   12   2HB   CYS   2          1HB       CYS   2  -6.663   6.639   2.833
   13    H    GLY   3           H        GLY   3  -5.212   3.706   0.187
   14   1HA   GLY   3          2HA       GLY   3  -6.570   1.923   2.118
   15   2HA   GLY   3          1HA       GLY   3  -5.488   1.408   0.825
   16    H    LYS   4           H        LYS   4  -5.694   1.655   4.107
   17    HA   LYS   4           HA       LYS   4  -2.967   2.538   4.711
   18   1HB   LYS   4          2HB       LYS   4  -5.328   2.372   6.058
   19   2HB   LYS   4          1HB       LYS   4  -4.538   0.901   6.629
   20   1HG   LYS   4          2HG       LYS   4  -2.930   3.422   6.573
   21   2HG   LYS   4          1HG       LYS   4  -4.140   3.240   7.844
   22   1HD   LYS   4          2HD       LYS   4  -2.531   0.822   7.436
   23   2HD   LYS   4          1HD       LYS   4  -1.571   2.217   7.931
   24   1HE   LYS   4          2HE       LYS   4  -3.120   2.590   9.843
   25   2HE   LYS   4          1HE       LYS   4  -4.029   1.142   9.365
   26   1HZ   LYS   4          1HZ       LYS   4  -1.143   1.265  10.068
   27   2HZ   LYS   4          2HZ       LYS   4  -1.933  -0.117   9.476
   28   3HZ   LYS   4          3HZ       LYS   4  -2.369   0.534  10.984
   29    H    PHE   5           H        PHE   5  -1.243   1.108   5.393
   30    HA   PHE   5           HA       PHE   5  -0.655  -1.151   3.965
   31   1HB   PHE   5          2HB       PHE   5   0.735   0.069   5.688
   32   2HB   PHE   5          1HB       PHE   5  -0.117  -0.850   6.928
   33    HD1  PHE   5           1HD      PHE   5  -0.090  -3.471   6.695
   34    HD2  PHE   5           2HD      PHE   5   2.610  -0.840   4.630
   35    HE1  PHE   5           1HE      PHE   5   1.487  -5.350   6.341
   36    HE2  PHE   5           2HE      PHE   5   4.178  -2.718   4.279
   37    HZ   PHE   5           HZ       PHE   5   3.620  -4.970   5.131
   38    H    MET   6           H        MET   6  -0.919  -3.406   4.258
   39    HA   MET   6           HA       MET   6  -1.941  -5.386   4.987
   40   1HB   MET   6          2HB       MET   6  -1.892  -3.643   7.217
   41   2HB   MET   6          1HB       MET   6  -3.496  -4.378   7.185
   42   1HG   MET   6          2HG       MET   6  -2.669  -6.521   7.474
   43   2HG   MET   6          1HG       MET   6  -1.124  -6.140   6.714
   44   1HE   MET   6          1HE       MET   6  -0.172  -7.625   8.567
   45   2HE   MET   6          2HE       MET   6   0.705  -6.760   9.827
   46   3HE   MET   6          3HE       MET   6   0.918  -6.298   8.140
   47    H    TRP   7           H        TRP   7  -3.477  -2.713   3.812
   48    HA   TRP   7           HA       TRP   7  -6.248  -3.627   4.099
   49   1HB   TRP   7          2HB       TRP   7  -4.750  -1.379   2.823
   50   2HB   TRP   7          1HB       TRP   7  -6.359  -1.737   2.216
   51    HD1  TRP   7           HD       TRP   7  -5.196  -2.044   5.872
   52    HE1  TRP   7           1HE      TRP   7  -6.698  -0.501   7.312
   53    HE3  TRP   7           3HE      TRP   7  -7.908   0.220   2.209
   54    HZ2  TRP   7           2HZ      TRP   7  -8.750   1.414   6.956
   55    HZ3  TRP   7           3HZ      TRP   7  -9.641   1.908   2.777
   56    HH2  TRP   7           HH       TRP   7 -10.064   2.511   5.148
   57    H    LYS   8           H        LYS   8  -7.372  -4.851   2.635
   58    HA   LYS   8           HA       LYS   8  -6.052  -6.413   0.637
   59   1HB   LYS   8          2HB       LYS   8  -8.266  -6.735   1.964
   60   2HB   LYS   8          1HB       LYS   8  -8.997  -5.742   0.702
   61   1HG   LYS   8          2HG       LYS   8  -7.756  -7.415  -0.916
   62   2HG   LYS   8          1HG       LYS   8  -7.777  -8.476   0.492
   63   1HD   LYS   8          2HD       LYS   8 -10.291  -7.898   0.655
   64   2HD   LYS   8          1HD       LYS   8 -10.121  -7.288  -0.993
   65   1HE   LYS   8          2HE       LYS   8  -8.993  -9.611  -1.465
   66   2HE   LYS   8          1HE       LYS   8  -9.846 -10.113   0.009
   67   1HZ   LYS   8          1HZ       LYS   8 -11.859  -9.813  -0.937
   68   2HZ   LYS   8          2HZ       LYS   8 -11.007 -10.053  -2.386
   69   3HZ   LYS   8          3HZ       LYS   8 -11.361  -8.477  -1.857
   70    H    CYS   9           H        CYS   9  -5.531  -5.857  -1.443
   71    HA   CYS   9           HA       CYS   9  -6.953  -3.544  -2.704
   72   1HB   CYS   9          2HB       CYS   9  -4.580  -3.059  -3.629
   73   2HB   CYS   9          1HB       CYS   9  -4.889  -2.669  -1.938
   74    H    LYS  10           H        LYS  10  -6.195  -3.502  -5.159
   75    HA   LYS  10           HA       LYS  10  -6.489  -6.292  -6.192
   76   1HB   LYS  10          2HB       LYS  10  -7.627  -5.283  -8.032
   77   2HB   LYS  10          1HB       LYS  10  -8.199  -4.415  -6.608
   78   1HG   LYS  10          2HG       LYS  10  -6.715  -2.566  -7.044
   79   2HG   LYS  10          1HG       LYS  10  -5.887  -3.459  -8.319
   80   1HD   LYS  10          2HD       LYS  10  -8.845  -3.044  -8.549
   81   2HD   LYS  10          1HD       LYS  10  -7.769  -1.701  -8.926
   82   1HE   LYS  10          2HE       LYS  10  -6.705  -4.063 -10.161
   83   2HE   LYS  10          1HE       LYS  10  -8.418  -3.916 -10.599
   84   1HZ   LYS  10          1HZ       LYS  10  -8.094  -1.679 -11.282
   85   2HZ   LYS  10          2HZ       LYS  10  -6.872  -2.592 -12.028
   86   3HZ   LYS  10          3HZ       LYS  10  -6.513  -1.640 -10.667
   87    H    ASN  11           H        ASN  11  -4.620  -3.305  -6.495
   88    HA   ASN  11           HA       ASN  11  -2.320  -4.775  -7.534
   89   1HB   ASN  11          2HB       ASN  11  -4.314  -3.676  -9.305
   90   2HB   ASN  11          1HB       ASN  11  -2.781  -2.838  -9.548
   91   1HD2  ASN  11          1HD2      ASN  11  -4.497  -5.569 -10.519
   92   2HD2  ASN  11          2HD2      ASN  11  -3.194  -6.516 -11.052
   93    H    SER  12           H        SER  12  -3.862  -1.629  -6.946
   94    HA   SER  12           HA       SER  12  -1.812  -0.556  -5.365
   95   1HB   SER  12          2HB       SER  12  -0.218  -0.678  -7.055
   96   2HB   SER  12          1HB       SER  12  -1.404  -0.405  -8.327
   97    HG   SER  12           HG       SER  12  -0.047   1.420  -7.946
   98    H    ASN  13           H        ASN  13  -4.423  -0.021  -7.617
   99    HA   ASN  13           HA       ASN  13  -4.689   2.832  -7.231
  100   1HB   ASN  13          2HB       ASN  13  -6.614   2.551  -8.562
  101   2HB   ASN  13          1HB       ASN  13  -5.588   1.209  -9.061
  102   1HD2  ASN  13          1HD2      ASN  13  -6.093  -0.316  -6.521
  103   2HD2  ASN  13          2HD2      ASN  13  -7.676  -0.913  -6.658
  104    H    ASP  14           H        ASP  14  -5.066   0.377  -5.014
  105    HA   ASP  14           HA       ASP  14  -7.254   1.828  -3.561
  106   1HB   ASP  14          2HB       ASP  14  -6.873  -0.874  -4.317
  107   2HB   ASP  14          1HB       ASP  14  -6.642  -0.820  -2.569
  108    H    CYS  15           H        CYS  15  -3.921   1.214  -3.573
  109    HA   CYS  15           HA       CYS  15  -3.524   1.093  -0.673
  110   1HB   CYS  15          2HB       CYS  15  -1.671   1.509  -3.036
  111   2HB   CYS  15          1HB       CYS  15  -1.150   1.140  -1.392
  112    H    CYS  16           H        CYS  16  -2.846   2.769   0.661
  113    HA   CYS  16           HA       CYS  16  -3.551   5.468   0.144
  114   1HB   CYS  16          2HB       CYS  16  -2.004   3.881   2.113
  115   2HB   CYS  16          1HB       CYS  16  -1.606   5.598   2.063
  116    H    LYS  17           H        LYS  17  -1.803   7.304   0.243
  117    HA   LYS  17           HA       LYS  17  -0.188   7.256  -2.076
  118   1HB   LYS  17          2HB       LYS  17  -1.084   9.193  -0.609
  119   2HB   LYS  17          1HB       LYS  17   0.357   8.930   0.375
  120   1HG   LYS  17          2HG       LYS  17   1.272   8.942  -2.283
  121   2HG   LYS  17          1HG       LYS  17   0.118  10.271  -2.185
  122   1HD   LYS  17          2HD       LYS  17   1.291  11.203  -0.262
  123   2HD   LYS  17          1HD       LYS  17   2.397   9.828  -0.234
  124   1HE   LYS  17          2HE       LYS  17   3.271  10.444  -2.447
  125   2HE   LYS  17          1HE       LYS  17   2.122  11.794  -2.538
  126   1HZ   LYS  17          1HZ       LYS  17   4.409  12.344  -1.645
  127   2HZ   LYS  17          2HZ       LYS  17   3.987  11.451  -0.263
  128   3HZ   LYS  17          3HZ       LYS  17   3.096  12.834  -0.689
  129    H    ASP  18           H        ASP  18   2.120   7.002  -2.295
  130    HA   ASP  18           HA       ASP  18   4.205   5.992  -1.813
  131   1HB   ASP  18          2HB       ASP  18   3.182   7.268   0.652
  132   2HB   ASP  18          1HB       ASP  18   4.433   6.050   0.909
  133    H    LEU  19           H        LEU  19   1.455   4.530  -1.545
  134    HA   LEU  19           HA       LEU  19   2.563   2.089  -0.204
  135   1HB   LEU  19          2HB       LEU  19   0.692   3.516   0.942
  136   2HB   LEU  19          1HB       LEU  19  -0.364   2.816  -0.284
  137    HG   LEU  19           HG       LEU  19   0.458   0.534   0.438
  138   1HD1  LEU  19          1HD1      LEU  19   1.478   2.011   2.875
  139   2HD1  LEU  19          2HD1      LEU  19   2.536   1.538   1.547
  140   3HD1  LEU  19          3HD1      LEU  19   1.683   0.307   2.476
  141   1HD2  LEU  19          1HD2      LEU  19  -1.701   1.316   1.208
  142   2HD2  LEU  19          2HD2      LEU  19  -0.949   2.323   2.444
  143   3HD2  LEU  19          3HD2      LEU  19  -0.882   0.565   2.578
  144    H    VAL  20           H        VAL  20   2.259   0.178  -1.361
  145    HA   VAL  20           HA       VAL  20   0.615   0.325  -3.860
  146    HB   VAL  20           HB       VAL  20   2.497  -0.866  -4.989
  147   1HG1  VAL  20          1HG1      VAL  20   3.454   1.121  -5.543
  148   2HG1  VAL  20          2HG1      VAL  20   3.881   1.490  -3.873
  149   3HG1  VAL  20          3HG1      VAL  20   2.249   1.812  -4.457
  150   1HG2  VAL  20          1HG2      VAL  20   3.917  -1.928  -3.574
  151   2HG2  VAL  20          2HG2      VAL  20   3.477  -0.891  -2.219
  152   3HG2  VAL  20          3HG2      VAL  20   4.686  -0.352  -3.381
  153    H    CYS  21           H        CYS  21  -0.415  -1.616  -4.391
  154    HA   CYS  21           HA       CYS  21  -0.979  -3.512  -2.337
  155   1HB   CYS  21          2HB       CYS  21  -2.283  -2.857  -4.433
  156   2HB   CYS  21          1HB       CYS  21  -1.187  -3.899  -5.335
  157    H    SER  22           H        SER  22  -0.091  -5.594  -1.933
  158    HA   SER  22           HA       SER  22   2.234  -6.393  -3.648
  159   1HB   SER  22          2HB       SER  22   2.023  -5.991  -0.671
  160   2HB   SER  22          1HB       SER  22   3.232  -7.082  -1.340
  161    HG   SER  22           HG       SER  22   4.086  -5.377  -2.498
  162    H    SER  23           H        SER  23   1.500  -8.305  -4.534
  163    HA   SER  23           HA       SER  23  -0.406 -10.073  -3.421
  164   1HB   SER  23          2HB       SER  23   1.096  -9.790  -5.746
  165   2HB   SER  23          1HB       SER  23   1.662 -11.317  -5.079
  166    HG   SER  23           HG       SER  23  -0.594 -11.895  -4.893
  167    H    ARG  24           H        ARG  24   3.003  -9.658  -2.832
  168    HA   ARG  24           HA       ARG  24   3.422 -12.260  -1.564
  169   1HB   ARG  24          2HB       ARG  24   5.111 -10.741  -2.753
  170   2HB   ARG  24          1HB       ARG  24   5.053  -9.721  -1.316
  171   1HG   ARG  24          2HG       ARG  24   5.437 -12.126  -0.141
  172   2HG   ARG  24          1HG       ARG  24   6.257 -12.413  -1.676
  173   1HD   ARG  24          2HD       ARG  24   8.021 -11.157  -1.015
  174   2HD   ARG  24          1HD       ARG  24   6.953  -9.789  -0.646
  175    HE   ARG  24           HE       ARG  24   6.811 -10.549   1.614
  176   1HH1  ARG  24          1HH1      ARG  24   6.666 -13.493   0.444
  177   2HH1  ARG  24          2HH1      ARG  24   7.982 -14.197   1.324
  178   1HH2  ARG  24          1HH2      ARG  24   9.255 -11.146   2.372
  179   2HH2  ARG  24          2HH2      ARG  24   9.448 -12.867   2.417
  180    H    TRP  25           H        TRP  25   3.150  -8.894  -0.451
  181    HA   TRP  25           HA       TRP  25   3.050  -9.670   2.369
  182   1HB   TRP  25          2HB       TRP  25   2.627  -7.103   0.816
  183   2HB   TRP  25          1HB       TRP  25   2.582  -7.189   2.573
  184    HD1  TRP  25           HD       TRP  25   4.932  -6.814  -0.247
  185    HE1  TRP  25           1HE      TRP  25   7.369  -6.982   0.582
  186    HE3  TRP  25           3HE      TRP  25   4.153  -8.606   4.475
  187    HZ2  TRP  25           2HZ      TRP  25   8.782  -7.757   2.891
  188    HZ3  TRP  25           3HZ      TRP  25   6.078  -9.050   5.973
  189    HH2  TRP  25           HH       TRP  25   8.396  -8.630   5.190
  190    H    LYS  26           H        LYS  26   0.825  -9.699  -0.164
  191    HA   LYS  26           HA       LYS  26  -1.486 -10.104  -0.214
  192   1HB   LYS  26          2HB       LYS  26  -2.094 -11.505   1.485
  193   2HB   LYS  26          1HB       LYS  26  -0.409 -11.345   1.958
  194   1HG   LYS  26          2HG       LYS  26  -1.598  -9.132   3.152
  195   2HG   LYS  26          1HG       LYS  26  -2.822 -10.386   3.318
  196   1HD   LYS  26          2HD       LYS  26   0.017 -10.371   4.343
  197   2HD   LYS  26          1HD       LYS  26  -1.480 -10.598   5.243
  198   1HE   LYS  26          2HE       LYS  26  -1.847 -12.765   4.037
  199   2HE   LYS  26          1HE       LYS  26  -0.253 -12.567   3.282
  200   1HZ   LYS  26          1HZ       LYS  26  -0.911 -12.913   6.136
  201   2HZ   LYS  26          2HZ       LYS  26   0.521 -12.118   5.678
  202   3HZ   LYS  26          3HZ       LYS  26   0.249 -13.726   5.203
  203    H    TRP  27           H        TRP  27  -0.434  -7.304   0.226
  204    HA   TRP  27           HA       TRP  27  -2.912  -5.966   0.553
  205   1HB   TRP  27          2HB       TRP  27  -2.530  -5.035   2.861
  206   2HB   TRP  27          1HB       TRP  27  -2.836  -6.765   2.850
  207    HD1  TRP  27           HD       TRP  27   0.476  -4.875   2.210
  208    HE1  TRP  27           1HE      TRP  27   2.248  -5.775   3.834
  209    HE3  TRP  27           3HE      TRP  27  -2.375  -8.098   4.947
  210    HZ2  TRP  27           2HZ      TRP  27   2.450  -7.566   5.998
  211    HZ3  TRP  27           3HZ      TRP  27  -1.359  -9.379   6.812
  212    HH2  TRP  27           HH       TRP  27   1.050  -9.118   7.345
  213    H    CYS  28           H        CYS  28  -2.458  -3.509   1.148
  214    HA   CYS  28           HA       CYS  28  -0.436  -2.532  -0.668
  215   1HB   CYS  28          2HB       CYS  28  -2.148  -1.263   1.495
  216   2HB   CYS  28          1HB       CYS  28  -1.187  -0.336   0.341
  217    H    VAL  29           H        VAL  29   1.727  -2.179  -0.215
  218    HA   VAL  29           HA       VAL  29   2.538  -2.155   2.675
  219    HB   VAL  29           HB       VAL  29   4.609  -3.205   1.875
  220   1HG1  VAL  29          1HG1      VAL  29   3.675  -5.350   1.259
  221   2HG1  VAL  29          2HG1      VAL  29   2.204  -4.589   0.651
  222   3HG1  VAL  29          3HG1      VAL  29   2.552  -4.582   2.382
  223   1HG2  VAL  29          1HG2      VAL  29   4.678  -2.083  -0.333
  224   2HG2  VAL  29          2HG2      VAL  29   3.293  -3.040  -0.858
  225   3HG2  VAL  29          3HG2      VAL  29   4.828  -3.832  -0.503
  226    H    LEU  30           H        LEU  30   4.350  -0.806   3.215
  227    HA   LEU  30           HA       LEU  30   4.321   1.834   2.236
  228   1HB   LEU  30          2HB       LEU  30   6.599   1.890   3.427
  229   2HB   LEU  30          1HB       LEU  30   5.222   1.346   4.383
  230    HG   LEU  30           HG       LEU  30   6.137  -1.006   3.207
  231   1HD1  LEU  30          1HD1      LEU  30   8.262   0.917   3.146
  232   2HD1  LEU  30          2HD1      LEU  30   8.307  -0.782   2.676
  233   3HD1  LEU  30          3HD1      LEU  30   8.651  -0.318   4.343
  234   1HD2  LEU  30          1HD2      LEU  30   5.388  -0.778   5.515
  235   2HD2  LEU  30          2HD2      LEU  30   6.780   0.235   5.901
  236   3HD2  LEU  30          3HD2      LEU  30   7.010  -1.469   5.507
  237    H    ALA  31           H        ALA  31   4.383   1.420  -0.160
  238    HA   ALA  31           HA       ALA  31   5.561   0.943  -2.224
  239   1HB   ALA  31          1HB       ALA  31   5.739   3.397  -1.041
  240   2HB   ALA  31          2HB       ALA  31   6.313   3.045  -2.670
  241   3HB   ALA  31          3HB       ALA  31   7.441   3.032  -1.314
  242    H    SER  32           H        SER  32   6.518  -1.179  -1.020
  243    HA   SER  32           HA       SER  32   9.338  -1.071  -0.314
  244   1HB   SER  32          2HB       SER  32   8.258  -3.654  -1.171
  245   2HB   SER  32          1HB       SER  32   8.860  -3.166   0.410
  246    HG   SER  32           HG       SER  32   6.801  -2.028   0.627
  247    HA   PRO  33           HA       PRO  33   9.910  -2.945  -4.668
  248   1HB   PRO  33          2HB       PRO  33   7.764  -3.002  -6.357
  249   2HB   PRO  33          1HB       PRO  33   8.129  -4.311  -5.217
  250   1HG   PRO  33          2HG       PRO  33   6.102  -2.152  -5.029
  251   2HG   PRO  33          1HG       PRO  33   6.019  -3.832  -4.481
  252   1HD   PRO  33          2HD       PRO  33   6.487  -1.669  -2.843
  253   2HD   PRO  33          1HD       PRO  33   6.943  -3.343  -2.461
  254    H    PHE  34           H        PHE  34  10.807  -0.630  -4.472
  255    HA   PHE  34           HA       PHE  34   9.704   1.041  -6.699
  256   1HB   PHE  34          2HB       PHE  34   9.732   1.555  -3.869
  257   2HB   PHE  34          1HB       PHE  34  10.779   2.723  -4.675
  258    HD1  PHE  34           1HD      PHE  34   7.339   1.304  -4.615
  259    HD2  PHE  34           2HD      PHE  34   9.889   4.438  -6.078
  260    HE1  PHE  34           1HE      PHE  34   5.349   2.555  -5.409
  261    HE2  PHE  34           2HE      PHE  34   7.899   5.687  -6.870
  262    HZ   PHE  34           HZ       PHE  34   5.630   4.746  -6.535
  Start of MODEL   17
    1   1H    GLU   1          1HT       GLU   1  -9.696   4.902  -4.141
    2   2H    GLU   1          2HT       GLU   1  -8.045   4.624  -3.852
    3   3H    GLU   1          3HT       GLU   1  -8.559   6.113  -4.486
    4    HA   GLU   1           HA       GLU   1  -9.292   6.894  -2.476
    5   1HB   GLU   1          2HB       GLU   1 -10.443   4.333  -2.526
    6   2HB   GLU   1          1HB       GLU   1  -9.548   4.406  -1.009
    7   1HG   GLU   1          2HG       GLU   1 -11.111   5.746  -0.109
    8   2HG   GLU   1          1HG       GLU   1 -10.905   6.907  -1.421
    9    H    CYS   2           H        CYS   2  -8.578   5.906   0.032
   10    HA   CYS   2           HA       CYS   2  -5.623   5.445  -0.180
   11   1HB   CYS   2          2HB       CYS   2  -6.574   7.858   0.248
   12   2HB   CYS   2          1HB       CYS   2  -6.872   7.251   1.877
   13    H    GLY   3           H        GLY   3  -5.499   3.375   0.691
   14   1HA   GLY   3          2HA       GLY   3  -7.042   2.834   3.189
   15   2HA   GLY   3          1HA       GLY   3  -6.416   1.587   2.108
   16    H    LYS   4           H        LYS   4  -5.847   1.535   4.856
   17    HA   LYS   4           HA       LYS   4  -3.120   2.626   5.226
   18   1HB   LYS   4          2HB       LYS   4  -4.726   2.771   7.047
   19   2HB   LYS   4          1HB       LYS   4  -5.047   1.039   6.951
   20   1HG   LYS   4          2HG       LYS   4  -3.523   1.398   8.790
   21   2HG   LYS   4          1HG       LYS   4  -2.616   0.639   7.483
   22   1HD   LYS   4          2HD       LYS   4  -1.907   2.948   6.749
   23   2HD   LYS   4          1HD       LYS   4  -2.641   3.573   8.226
   24   1HE   LYS   4          2HE       LYS   4  -1.166   1.939   9.517
   25   2HE   LYS   4          1HE       LYS   4  -0.298   1.663   7.994
   26   1HZ   LYS   4          1HZ       LYS   4  -0.062   4.105   7.801
   27   2HZ   LYS   4          2HZ       LYS   4   0.760   3.462   9.141
   28   3HZ   LYS   4          3HZ       LYS   4  -0.720   4.270   9.356
   29    H    PHE   5           H        PHE   5  -1.329   1.161   5.794
   30    HA   PHE   5           HA       PHE   5  -0.762  -0.920   4.088
   31   1HB   PHE   5          2HB       PHE   5   0.774   0.107   5.735
   32   2HB   PHE   5          1HB       PHE   5  -0.068  -0.732   7.036
   33    HD1  PHE   5           1HD      PHE   5  -0.134  -3.311   6.979
   34    HD2  PHE   5           2HD      PHE   5   2.481  -0.967   4.503
   35    HE1  PHE   5           1HE      PHE   5   1.310  -5.293   6.622
   36    HE2  PHE   5           2HE      PHE   5   3.922  -2.948   4.150
   37    HZ   PHE   5           HZ       PHE   5   3.340  -5.108   5.206
   38    H    MET   6           H        MET   6  -0.823  -3.256   4.340
   39    HA   MET   6           HA       MET   6  -1.799  -5.307   4.925
   40   1HB   MET   6          2HB       MET   6  -1.944  -3.618   7.255
   41   2HB   MET   6          1HB       MET   6  -3.384  -4.632   7.168
   42   1HG   MET   6          2HG       MET   6  -2.170  -6.603   7.334
   43   2HG   MET   6          1HG       MET   6  -0.711  -5.883   6.652
   44   1HE   MET   6          1HE       MET   6   0.642  -6.856   7.915
   45   2HE   MET   6          2HE       MET   6   0.756  -6.972   9.668
   46   3HE   MET   6          3HE       MET   6   1.462  -5.589   8.834
   47    H    TRP   7           H        TRP   7  -3.427  -2.635   3.885
   48    HA   TRP   7           HA       TRP   7  -6.180  -3.555   4.185
   49   1HB   TRP   7          2HB       TRP   7  -4.673  -1.330   2.904
   50   2HB   TRP   7          1HB       TRP   7  -6.255  -1.699   2.233
   51    HD1  TRP   7           HD       TRP   7  -5.121  -1.816   5.925
   52    HE1  TRP   7           1HE      TRP   7  -6.729  -0.299   7.280
   53    HE3  TRP   7           3HE      TRP   7  -7.950   0.060   2.145
   54    HZ2  TRP   7           2HZ      TRP   7  -8.901   1.457   6.815
   55    HZ3  TRP   7           3HZ      TRP   7  -9.793   1.664   2.612
   56    HH2  TRP   7           HH       TRP   7 -10.271   2.367   4.946
   57    H    LYS   8           H        LYS   8  -7.398  -4.691   2.697
   58    HA   LYS   8           HA       LYS   8  -6.218  -6.426   0.785
   59   1HB   LYS   8          2HB       LYS   8  -8.838  -5.612   1.764
   60   2HB   LYS   8          1HB       LYS   8  -8.883  -5.953   0.034
   61   1HG   LYS   8          2HG       LYS   8  -9.332  -7.987   1.373
   62   2HG   LYS   8          1HG       LYS   8  -7.855  -8.150   0.423
   63   1HD   LYS   8          2HD       LYS   8  -6.950  -7.007   2.775
   64   2HD   LYS   8          1HD       LYS   8  -8.203  -8.117   3.332
   65   1HE   LYS   8          2HE       LYS   8  -7.083  -9.849   1.746
   66   2HE   LYS   8          1HE       LYS   8  -5.691  -8.748   1.785
   67   1HZ   LYS   8          1HZ       LYS   8  -5.746  -8.791   4.189
   68   2HZ   LYS   8          2HZ       LYS   8  -5.607 -10.377   3.597
   69   3HZ   LYS   8          3HZ       LYS   8  -7.100  -9.810   4.178
   70    H    CYS   9           H        CYS   9  -5.632  -6.069  -1.357
   71    HA   CYS   9           HA       CYS   9  -6.656  -3.605  -2.702
   72   1HB   CYS   9          2HB       CYS   9  -4.256  -3.286  -3.454
   73   2HB   CYS   9          1HB       CYS   9  -4.528  -3.047  -1.726
   74    H    LYS  10           H        LYS  10  -5.320  -3.777  -5.046
   75    HA   LYS  10           HA       LYS  10  -5.828  -6.534  -6.104
   76   1HB   LYS  10          2HB       LYS  10  -7.022  -5.528  -7.949
   77   2HB   LYS  10          1HB       LYS  10  -7.688  -4.861  -6.460
   78   1HG   LYS  10          2HG       LYS  10  -5.697  -3.079  -6.935
   79   2HG   LYS  10          1HG       LYS  10  -6.117  -3.528  -8.587
   80   1HD   LYS  10          2HD       LYS  10  -8.223  -2.779  -6.556
   81   2HD   LYS  10          1HD       LYS  10  -7.418  -1.566  -7.553
   82   1HE   LYS  10          2HE       LYS  10  -8.175  -2.686  -9.598
   83   2HE   LYS  10          1HE       LYS  10  -8.920  -3.979  -8.635
   84   1HZ   LYS  10          1HZ       LYS  10  -9.599  -1.088  -8.567
   85   2HZ   LYS  10          2HZ       LYS  10 -10.200  -2.233  -7.464
   86   3HZ   LYS  10          3HZ       LYS  10 -10.591  -2.351  -9.114
   87    H    ASN  11           H        ASN  11  -4.044  -3.516  -6.304
   88    HA   ASN  11           HA       ASN  11  -1.704  -4.745  -7.426
   89   1HB   ASN  11          2HB       ASN  11  -3.655  -4.577  -9.261
   90   2HB   ASN  11          1HB       ASN  11  -2.988  -2.952  -9.436
   91   1HD2  ASN  11          1HD2      ASN  11  -1.594  -6.253  -8.955
   92   2HD2  ASN  11          2HD2      ASN  11  -0.434  -6.098 -10.185
   93    H    SER  12           H        SER  12  -3.598  -1.744  -7.297
   94    HA   SER  12           HA       SER  12  -1.836  -0.260  -5.712
   95   1HB   SER  12          2HB       SER  12  -0.924  -0.732  -8.420
   96   2HB   SER  12          1HB       SER  12  -1.117   0.994  -8.131
   97    HG   SER  12           HG       SER  12   0.951   0.219  -7.496
   98    H    ASN  13           H        ASN  13  -4.695  -0.519  -6.489
   99    HA   ASN  13           HA       ASN  13  -5.255   2.291  -7.377
  100   1HB   ASN  13          2HB       ASN  13  -6.080  -0.131  -8.391
  101   2HB   ASN  13          1HB       ASN  13  -7.430   0.303  -7.342
  102   1HD2  ASN  13          1HD2      ASN  13  -5.583   1.333 -10.194
  103   2HD2  ASN  13          2HD2      ASN  13  -6.706   2.495 -10.714
  104    H    ASP  14           H        ASP  14  -5.249   0.265  -4.666
  105    HA   ASP  14           HA       ASP  14  -7.277   2.005  -3.293
  106   1HB   ASP  14          2HB       ASP  14  -8.125  -0.251  -3.617
  107   2HB   ASP  14          1HB       ASP  14  -6.630  -0.944  -2.986
  108    H    CYS  15           H        CYS  15  -4.047   1.346  -3.517
  109    HA   CYS  15           HA       CYS  15  -3.379   1.246  -0.666
  110   1HB   CYS  15          2HB       CYS  15  -1.766   1.655  -3.202
  111   2HB   CYS  15          1HB       CYS  15  -1.071   1.364  -1.609
  112    H    CYS  16           H        CYS  16  -2.811   2.978   0.607
  113    HA   CYS  16           HA       CYS  16  -3.563   5.639  -0.092
  114   1HB   CYS  16          2HB       CYS  16  -2.281   4.167   2.095
  115   2HB   CYS  16          1HB       CYS  16  -1.704   5.827   1.953
  116    H    LYS  17           H        LYS  17  -1.977   7.529  -0.132
  117    HA   LYS  17           HA       LYS  17  -0.171   7.414  -2.259
  118   1HB   LYS  17          2HB       LYS  17  -1.044   9.471  -1.239
  119   2HB   LYS  17          1HB       LYS  17  -0.137   9.140   0.237
  120   1HG   LYS  17          2HG       LYS  17   1.976   9.226  -1.082
  121   2HG   LYS  17          1HG       LYS  17   1.038   9.666  -2.508
  122   1HD   LYS  17          2HD       LYS  17   1.677  11.765  -1.712
  123   2HD   LYS  17          1HD       LYS  17   0.097  11.568  -0.952
  124   1HE   LYS  17          2HE       LYS  17   1.859  10.324   0.833
  125   2HE   LYS  17          1HE       LYS  17   2.715  11.791   0.311
  126   1HZ   LYS  17          1HZ       LYS  17  -0.162  11.937   0.895
  127   2HZ   LYS  17          2HZ       LYS  17   1.023  13.150   1.010
  128   3HZ   LYS  17          3HZ       LYS  17   0.931  11.932   2.192
  129    H    ASP  18           H        ASP  18   2.157   7.188  -2.333
  130    HA   ASP  18           HA       ASP  18   4.223   6.234  -1.687
  131   1HB   ASP  18          2HB       ASP  18   3.002   7.533   0.681
  132   2HB   ASP  18          1HB       ASP  18   4.289   6.380   1.034
  133    H    LEU  19           H        LEU  19   1.643   4.606  -1.769
  134    HA   LEU  19           HA       LEU  19   2.703   2.270  -0.241
  135   1HB   LEU  19          2HB       LEU  19   0.765   3.647   0.841
  136   2HB   LEU  19          1HB       LEU  19  -0.242   2.900  -0.400
  137    HG   LEU  19           HG       LEU  19   0.455   0.658   0.369
  138   1HD1  LEU  19          1HD1      LEU  19   2.036   2.259   2.405
  139   2HD1  LEU  19          2HD1      LEU  19   2.682   1.155   1.195
  140   3HD1  LEU  19          3HD1      LEU  19   1.732   0.529   2.538
  141   1HD2  LEU  19          1HD2      LEU  19  -0.457   2.388   2.687
  142   2HD2  LEU  19          2HD2      LEU  19  -0.740   0.659   2.487
  143   3HD2  LEU  19          3HD2      LEU  19  -1.516   1.812   1.401
  144    H    VAL  20           H        VAL  20   2.395   0.292  -1.310
  145    HA   VAL  20           HA       VAL  20   0.881   0.357  -3.892
  146    HB   VAL  20           HB       VAL  20   2.867  -1.020  -4.764
  147   1HG1  VAL  20          1HG1      VAL  20   2.956   1.898  -4.041
  148   2HG1  VAL  20          2HG1      VAL  20   2.746   1.154  -5.625
  149   3HG1  VAL  20          3HG1      VAL  20   4.332   1.152  -4.854
  150   1HG2  VAL  20          1HG2      VAL  20   5.008  -0.542  -3.516
  151   2HG2  VAL  20          2HG2      VAL  20   3.898  -1.608  -2.654
  152   3HG2  VAL  20          3HG2      VAL  20   4.027   0.089  -2.192
  153    H    CYS  21           H        CYS  21  -0.160  -1.600  -4.380
  154    HA   CYS  21           HA       CYS  21  -0.610  -3.470  -2.205
  155   1HB   CYS  21          2HB       CYS  21  -2.328  -2.855  -3.823
  156   2HB   CYS  21          1HB       CYS  21  -1.329  -3.460  -5.145
  157    H    SER  22           H        SER  22   0.032  -5.689  -2.125
  158    HA   SER  22           HA       SER  22   1.971  -6.619  -4.183
  159   1HB   SER  22          2HB       SER  22   3.225  -5.434  -2.405
  160   2HB   SER  22          1HB       SER  22   2.500  -6.490  -1.199
  161    HG   SER  22           HG       SER  22   3.448  -8.130  -2.928
  162    H    SER  23           H        SER  23   1.329  -8.631  -4.740
  163    HA   SER  23           HA       SER  23  -0.641 -10.146  -3.357
  164   1HB   SER  23          2HB       SER  23   1.288 -10.522  -5.609
  165   2HB   SER  23          1HB       SER  23   0.478 -11.949  -4.971
  166    HG   SER  23           HG       SER  23  -0.618  -9.634  -6.158
  167    H    ARG  24           H        ARG  24   2.809  -9.907  -3.007
  168    HA   ARG  24           HA       ARG  24   3.167 -12.467  -1.635
  169   1HB   ARG  24          2HB       ARG  24   4.845 -10.994  -2.979
  170   2HB   ARG  24          1HB       ARG  24   4.965 -10.046  -1.497
  171   1HG   ARG  24          2HG       ARG  24   5.205 -13.001  -1.223
  172   2HG   ARG  24          1HG       ARG  24   6.559 -12.158  -1.976
  173   1HD   ARG  24          2HD       ARG  24   5.364 -11.150   0.612
  174   2HD   ARG  24          1HD       ARG  24   6.621 -12.403   0.605
  175    HE   ARG  24           HE       ARG  24   6.966  -9.692  -0.619
  176   1HH1  ARG  24          1HH1      ARG  24   8.297 -12.779  -0.168
  177   2HH1  ARG  24          2HH1      ARG  24   9.878 -12.210   0.254
  178   1HH2  ARG  24          1HH2      ARG  24   8.947  -8.870   0.328
  179   2HH2  ARG  24          2HH2      ARG  24  10.245  -9.998   0.537
  180    H    TRP  25           H        TRP  25   3.020  -9.041  -0.697
  181    HA   TRP  25           HA       TRP  25   3.041  -9.658   2.166
  182   1HB   TRP  25          2HB       TRP  25   2.536  -7.161   0.517
  183   2HB   TRP  25          1HB       TRP  25   2.626  -7.170   2.276
  184    HD1  TRP  25           HD       TRP  25   4.753  -6.776  -0.683
  185    HE1  TRP  25           1HE      TRP  25   7.246  -6.968  -0.056
  186    HE3  TRP  25           3HE      TRP  25   4.351  -8.708   4.031
  187    HZ2  TRP  25           2HZ      TRP  25   8.838  -7.809   2.106
  188    HZ3  TRP  25           3HZ      TRP  25   6.390  -9.195   5.355
  189    HH2  TRP  25           HH       TRP  25   8.638  -8.750   4.401
  190    H    LYS  26           H        LYS  26   0.717  -9.590  -0.341
  191    HA   LYS  26           HA       LYS  26  -1.596 -10.013  -0.307
  192   1HB   LYS  26          2HB       LYS  26  -2.180 -11.391   1.417
  193   2HB   LYS  26          1HB       LYS  26  -0.484 -11.247   1.867
  194   1HG   LYS  26          2HG       LYS  26  -1.574  -9.008   3.050
  195   2HG   LYS  26          1HG       LYS  26  -2.880 -10.175   3.209
  196   1HD   LYS  26          2HD       LYS  26  -0.072 -10.308   4.294
  197   2HD   LYS  26          1HD       LYS  26  -1.600 -10.508   5.150
  198   1HE   LYS  26          2HE       LYS  26  -1.692 -12.534   3.243
  199   2HE   LYS  26          1HE       LYS  26   0.005 -12.530   3.766
  200   1HZ   LYS  26          1HZ       LYS  26  -2.416 -12.695   5.472
  201   2HZ   LYS  26          2HZ       LYS  26  -0.874 -12.344   6.092
  202   3HZ   LYS  26          3HZ       LYS  26  -1.168 -13.835   5.333
  203    H    TRP  27           H        TRP  27  -0.472  -7.203   0.125
  204    HA   TRP  27           HA       TRP  27  -2.954  -5.858   0.525
  205   1HB   TRP  27          2HB       TRP  27  -2.471  -4.936   2.823
  206   2HB   TRP  27          1HB       TRP  27  -2.785  -6.665   2.810
  207    HD1  TRP  27           HD       TRP  27   0.497  -4.771   2.053
  208    HE1  TRP  27           1HE      TRP  27   2.343  -5.694   3.582
  209    HE3  TRP  27           3HE      TRP  27  -2.225  -8.045   4.873
  210    HZ2  TRP  27           2HZ      TRP  27   2.644  -7.517   5.700
  211    HZ3  TRP  27           3HZ      TRP  27  -1.116  -9.353   6.666
  212    HH2  TRP  27           HH       TRP  27   1.315  -9.095   7.086
  213    H    CYS  28           H        CYS  28  -2.474  -3.397   1.136
  214    HA   CYS  28           HA       CYS  28  -0.537  -2.393  -0.759
  215   1HB   CYS  28          2HB       CYS  28  -2.226  -1.196   1.452
  216   2HB   CYS  28          1HB       CYS  28  -1.233  -0.207   0.379
  217    H    VAL  29           H        VAL  29   1.606  -2.871  -0.270
  218    HA   VAL  29           HA       VAL  29   2.577  -2.649   2.510
  219    HB   VAL  29           HB       VAL  29   4.585  -3.616   1.570
  220   1HG1  VAL  29          1HG1      VAL  29   3.025  -5.339   1.885
  221   2HG1  VAL  29          2HG1      VAL  29   3.443  -5.537   0.184
  222   3HG1  VAL  29          3HG1      VAL  29   1.946  -4.721   0.634
  223   1HG2  VAL  29          1HG2      VAL  29   3.397  -2.568  -0.954
  224   2HG2  VAL  29          2HG2      VAL  29   4.304  -4.077  -1.063
  225   3HG2  VAL  29          3HG2      VAL  29   5.084  -2.623  -0.443
  226    H    LEU  30           H        LEU  30   4.123  -1.151   3.196
  227    HA   LEU  30           HA       LEU  30   4.123   1.471   2.310
  228   1HB   LEU  30          2HB       LEU  30   6.480   1.471   3.383
  229   2HB   LEU  30          1HB       LEU  30   5.131   0.946   4.387
  230    HG   LEU  30           HG       LEU  30   5.976  -1.387   3.073
  231   1HD1  LEU  30          1HD1      LEU  30   8.111  -0.929   2.451
  232   2HD1  LEU  30          2HD1      LEU  30   8.469  -1.064   4.172
  233   3HD1  LEU  30          3HD1      LEU  30   8.188   0.521   3.452
  234   1HD2  LEU  30          1HD2      LEU  30   5.388  -0.550   5.616
  235   2HD2  LEU  30          2HD2      LEU  30   7.118  -0.870   5.746
  236   3HD2  LEU  30          3HD2      LEU  30   6.021  -2.147   5.219
  237    H    ALA  31           H        ALA  31   5.053   2.564   0.587
  238    HA   ALA  31           HA       ALA  31   6.194   1.062  -1.605
  239   1HB   ALA  31          1HB       ALA  31   6.522   4.021  -1.326
  240   2HB   ALA  31          2HB       ALA  31   4.882   3.377  -1.363
  241   3HB   ALA  31          3HB       ALA  31   5.975   3.082  -2.715
  242    H    SER  32           H        SER  32   7.843   0.332   0.416
  243    HA   SER  32           HA       SER  32  10.353   1.876  -0.144
  244   1HB   SER  32          2HB       SER  32   9.783   0.498   2.472
  245   2HB   SER  32          1HB       SER  32  10.886   1.832   2.146
  246    HG   SER  32           HG       SER  32   9.297   3.116   2.594
  247    HA   PRO  33           HA       PRO  33  12.181  -2.000  -1.061
  248   1HB   PRO  33          2HB       PRO  33  14.711  -1.691  -0.066
  249   2HB   PRO  33          1HB       PRO  33  14.139  -0.851  -1.521
  250   1HG   PRO  33          2HG       PRO  33  14.450   0.167   1.253
  251   2HG   PRO  33          1HG       PRO  33  14.730   0.987  -0.291
  252   1HD   PRO  33          2HD       PRO  33  12.498   1.349   1.263
  253   2HD   PRO  33          1HD       PRO  33  12.548   1.622  -0.492
  254    H    PHE  34           H        PHE  34  10.824  -3.234   0.477
  255    HA   PHE  34           HA       PHE  34  10.574  -4.769   2.258
  256   1HB   PHE  34          2HB       PHE  34  12.900  -5.274   1.202
  257   2HB   PHE  34          1HB       PHE  34  13.555  -4.469   2.628
  258    HD1  PHE  34           1HD      PHE  34  11.557  -7.341   1.429
  259    HD2  PHE  34           2HD      PHE  34  13.423  -5.479   4.821
  260    HE1  PHE  34           1HE      PHE  34  11.220  -9.411   2.750
  261    HE2  PHE  34           2HE      PHE  34  13.084  -7.549   6.143
  262    HZ   PHE  34           HZ       PHE  34  11.983  -9.517   5.108
  Start of MODEL   18
    1   1H    GLU   1          1HT       GLU   1  -9.293   2.689  -2.169
    2   2H    GLU   1          2HT       GLU   1 -10.451   3.393  -3.195
    3   3H    GLU   1          3HT       GLU   1 -10.803   3.152  -1.550
    4    HA   GLU   1           HA       GLU   1  -9.320   5.297  -2.826
    5   1HB   GLU   1          2HB       GLU   1 -10.644   5.017  -0.115
    6   2HB   GLU   1          1HB       GLU   1 -10.392   6.497  -1.042
    7   1HG   GLU   1          2HG       GLU   1 -11.842   4.582  -2.642
    8   2HG   GLU   1          1HG       GLU   1 -12.660   4.814  -1.096
    9    H    CYS   2           H        CYS   2  -7.994   6.596  -1.022
   10    HA   CYS   2           HA       CYS   2  -5.540   5.394  -0.543
   11   1HB   CYS   2          2HB       CYS   2  -6.496   7.803  -0.150
   12   2HB   CYS   2          1HB       CYS   2  -6.801   7.227   1.489
   13    H    GLY   3           H        GLY   3  -5.722   3.213   0.181
   14   1HA   GLY   3          2HA       GLY   3  -7.099   2.723   2.761
   15   2HA   GLY   3          1HA       GLY   3  -6.467   1.482   1.678
   16    H    LYS   4           H        LYS   4  -5.944   1.732   4.546
   17    HA   LYS   4           HA       LYS   4  -3.177   2.712   4.789
   18   1HB   LYS   4          2HB       LYS   4  -5.386   2.305   6.455
   19   2HB   LYS   4          1HB       LYS   4  -4.232   1.069   6.957
   20   1HG   LYS   4          2HG       LYS   4  -2.808   3.517   6.514
   21   2HG   LYS   4          1HG       LYS   4  -4.183   3.852   7.565
   22   1HD   LYS   4          2HD       LYS   4  -2.991   1.374   8.382
   23   2HD   LYS   4          1HD       LYS   4  -1.725   2.597   8.261
   24   1HE   LYS   4          2HE       LYS   4  -4.295   3.381   9.589
   25   2HE   LYS   4          1HE       LYS   4  -3.153   2.366  10.495
   26   1HZ   LYS   4          1HZ       LYS   4  -2.321   4.794   9.010
   27   2HZ   LYS   4          2HZ       LYS   4  -1.423   3.909  10.149
   28   3HZ   LYS   4          3HZ       LYS   4  -2.757   4.834  10.648
   29    H    PHE   5           H        PHE   5  -1.436   1.231   5.535
   30    HA   PHE   5           HA       PHE   5  -0.849  -0.917   3.923
   31   1HB   PHE   5          2HB       PHE   5   0.701   0.073   5.519
   32   2HB   PHE   5          1HB       PHE   5  -0.257  -0.532   6.870
   33    HD1  PHE   5           1HD      PHE   5  -0.227  -2.899   7.489
   34    HD2  PHE   5           2HD      PHE   5   2.036  -1.461   4.131
   35    HE1  PHE   5           1HE      PHE   5   1.056  -5.017   7.442
   36    HE2  PHE   5           2HE      PHE   5   3.313  -3.580   4.087
   37    HZ   PHE   5           HZ       PHE   5   2.826  -5.353   5.741
   38    H    MET   6           H        MET   6  -1.009  -3.226   4.176
   39    HA   MET   6           HA       MET   6  -2.006  -5.253   4.835
   40   1HB   MET   6          2HB       MET   6  -1.740  -3.928   7.112
   41   2HB   MET   6          1HB       MET   6  -3.497  -3.817   7.002
   42   1HG   MET   6          2HG       MET   6  -3.753  -6.180   7.013
   43   2HG   MET   6          1HG       MET   6  -2.043  -6.445   6.673
   44   1HE   MET   6          1HE       MET   6  -0.565  -6.999   7.936
   45   2HE   MET   6          2HE       MET   6  -0.464  -7.074   9.693
   46   3HE   MET   6          3HE       MET   6  -0.031  -5.585   8.855
   47    H    TRP   7           H        TRP   7  -3.595  -2.545   3.728
   48    HA   TRP   7           HA       TRP   7  -6.350  -3.493   3.891
   49   1HB   TRP   7          2HB       TRP   7  -4.804  -1.257   2.659
   50   2HB   TRP   7          1HB       TRP   7  -6.372  -1.629   1.956
   51    HD1  TRP   7           HD       TRP   7  -5.369  -1.781   5.684
   52    HE1  TRP   7           1HE      TRP   7  -6.978  -0.223   6.987
   53    HE3  TRP   7           3HE      TRP   7  -8.004   0.204   1.815
   54    HZ2  TRP   7           2HZ      TRP   7  -9.078   1.598   6.459
   55    HZ3  TRP   7           3HZ      TRP   7  -9.815   1.856   2.229
   56    HH2  TRP   7           HH       TRP   7 -10.356   2.559   4.547
   57    H    LYS   8           H        LYS   8  -7.279  -4.974   2.524
   58    HA   LYS   8           HA       LYS   8  -5.970  -6.504   0.584
   59   1HB   LYS   8          2HB       LYS   8  -8.833  -5.605   0.965
   60   2HB   LYS   8          1HB       LYS   8  -8.394  -6.715  -0.333
   61   1HG   LYS   8          2HG       LYS   8  -7.982  -8.446   1.101
   62   2HG   LYS   8          1HG       LYS   8  -7.315  -7.388   2.345
   63   1HD   LYS   8          2HD       LYS   8  -9.940  -6.592   2.304
   64   2HD   LYS   8          1HD       LYS   8 -10.088  -8.316   1.960
   65   1HE   LYS   8          2HE       LYS   8  -8.839  -8.887   3.971
   66   2HE   LYS   8          1HE       LYS   8  -8.491  -7.175   4.281
   67   1HZ   LYS   8          1HZ       LYS   8 -11.274  -7.657   3.815
   68   2HZ   LYS   8          2HZ       LYS   8 -10.520  -6.849   5.105
   69   3HZ   LYS   8          3HZ       LYS   8 -10.700  -8.537   5.147
   70    H    CYS   9           H        CYS   9  -5.380  -6.119  -1.558
   71    HA   CYS   9           HA       CYS   9  -6.285  -3.521  -2.756
   72   1HB   CYS   9          2HB       CYS   9  -3.930  -3.435  -3.659
   73   2HB   CYS   9          1HB       CYS   9  -4.036  -3.324  -1.902
   74    H    LYS  10           H        LYS  10  -6.405  -3.491  -5.051
   75    HA   LYS  10           HA       LYS  10  -6.781  -6.169  -6.309
   76   1HB   LYS  10          2HB       LYS  10  -8.020  -4.810  -7.979
   77   2HB   LYS  10          1HB       LYS  10  -8.607  -4.493  -6.345
   78   1HG   LYS  10          2HG       LYS  10  -7.423  -2.427  -6.213
   79   2HG   LYS  10          1HG       LYS  10  -6.467  -2.802  -7.647
   80   1HD   LYS  10          2HD       LYS  10  -8.373  -1.164  -8.021
   81   2HD   LYS  10          1HD       LYS  10  -8.373  -2.571  -9.086
   82   1HE   LYS  10          2HE       LYS  10 -10.018  -3.690  -7.592
   83   2HE   LYS  10          1HE       LYS  10 -10.052  -2.239  -6.572
   84   1HZ   LYS  10          1HZ       LYS  10 -10.643  -0.936  -8.537
   85   2HZ   LYS  10          2HZ       LYS  10 -11.807  -2.131  -8.218
   86   3HZ   LYS  10          3HZ       LYS  10 -10.682  -2.348  -9.474
   87    H    ASN  11           H        ASN  11  -4.882  -3.248  -6.393
   88    HA   ASN  11           HA       ASN  11  -2.756  -4.444  -7.937
   89   1HB   ASN  11          2HB       ASN  11  -4.961  -3.605  -9.404
   90   2HB   ASN  11          1HB       ASN  11  -3.844  -2.246  -9.543
   91   1HD2  ASN  11          1HD2      ASN  11  -3.379  -2.766 -11.810
   92   2HD2  ASN  11          2HD2      ASN  11  -2.425  -4.108 -12.222
   93    H    SER  12           H        SER  12  -4.354  -1.505  -6.790
   94    HA   SER  12           HA       SER  12  -2.204  -0.453  -5.358
   95   1HB   SER  12          2HB       SER  12  -1.936  -0.278  -8.248
   96   2HB   SER  12          1HB       SER  12  -1.869   1.315  -7.502
   97    HG   SER  12           HG       SER  12  -0.105   0.743  -6.402
   98    H    ASN  13           H        ASN  13  -5.066   0.114  -7.267
   99    HA   ASN  13           HA       ASN  13  -5.560   2.858  -6.728
  100   1HB   ASN  13          2HB       ASN  13  -7.100   0.412  -7.454
  101   2HB   ASN  13          1HB       ASN  13  -8.032   1.793  -6.876
  102   1HD2  ASN  13          1HD2      ASN  13  -7.765   0.647  -9.686
  103   2HD2  ASN  13          2HD2      ASN  13  -7.273   1.961 -10.641
  104    H    ASP  14           H        ASP  14  -5.489   0.205  -4.557
  105    HA   ASP  14           HA       ASP  14  -7.265   1.610  -2.604
  106   1HB   ASP  14          2HB       ASP  14  -6.464  -1.162  -3.230
  107   2HB   ASP  14          1HB       ASP  14  -6.569  -0.806  -1.506
  108    H    CYS  15           H        CYS  15  -3.946   1.060  -3.317
  109    HA   CYS  15           HA       CYS  15  -2.972   1.183  -0.561
  110   1HB   CYS  15          2HB       CYS  15  -1.592   1.532  -3.239
  111   2HB   CYS  15          1HB       CYS  15  -0.802   1.174  -1.702
  112    H    CYS  16           H        CYS  16  -2.600   3.012   0.585
  113    HA   CYS  16           HA       CYS  16  -3.278   5.630  -0.348
  114   1HB   CYS  16          2HB       CYS  16  -2.101   4.306   2.013
  115   2HB   CYS  16          1HB       CYS  16  -1.618   5.989   1.807
  116    H    LYS  17           H        LYS  17  -1.598   7.482  -0.264
  117    HA   LYS  17           HA       LYS  17   0.265   7.347  -2.312
  118   1HB   LYS  17          2HB       LYS  17  -0.613   9.322  -0.929
  119   2HB   LYS  17          1HB       LYS  17   0.650   8.930   0.237
  120   1HG   LYS  17          2HG       LYS  17   1.644  10.559  -1.166
  121   2HG   LYS  17          1HG       LYS  17   2.273   9.025  -1.771
  122   1HD   LYS  17          2HD       LYS  17   0.306   9.034  -3.411
  123   2HD   LYS  17          1HD       LYS  17   0.060  10.717  -2.945
  124   1HE   LYS  17          2HE       LYS  17   1.534  11.117  -4.667
  125   2HE   LYS  17          1HE       LYS  17   2.753  10.717  -3.440
  126   1HZ   LYS  17          1HZ       LYS  17   2.261   8.309  -4.095
  127   2HZ   LYS  17          2HZ       LYS  17   3.206   9.235  -5.160
  128   3HZ   LYS  17          3HZ       LYS  17   1.564   8.959  -5.497
  129    H    ASP  18           H        ASP  18   2.525   6.885  -2.400
  130    HA   ASP  18           HA       ASP  18   4.516   5.761  -1.809
  131   1HB   ASP  18          2HB       ASP  18   3.432   6.967   0.715
  132   2HB   ASP  18          1HB       ASP  18   4.822   5.887   0.827
  133    H    LEU  19           H        LEU  19   1.621   4.477  -1.533
  134    HA   LEU  19           HA       LEU  19   2.586   1.991  -0.158
  135   1HB   LEU  19          2HB       LEU  19   0.659   3.567   0.794
  136   2HB   LEU  19          1HB       LEU  19  -0.319   2.710  -0.396
  137    HG   LEU  19           HG       LEU  19   0.509   0.541   0.592
  138   1HD1  LEU  19          1HD1      LEU  19   2.548   1.630   1.640
  139   2HD1  LEU  19          2HD1      LEU  19   1.648   0.561   2.712
  140   3HD1  LEU  19          3HD1      LEU  19   1.471   2.308   2.858
  141   1HD2  LEU  19          1HD2      LEU  19  -0.876   0.765   2.690
  142   2HD2  LEU  19          2HD2      LEU  19  -1.679   1.357   1.236
  143   3HD2  LEU  19          3HD2      LEU  19  -0.969   2.498   2.378
  144    H    VAL  20           H        VAL  20   2.147   0.043  -1.273
  145    HA   VAL  20           HA       VAL  20   0.663   0.247  -3.854
  146    HB   VAL  20           HB       VAL  20   2.600  -0.990  -4.896
  147   1HG1  VAL  20          1HG1      VAL  20   3.884   1.455  -3.879
  148   2HG1  VAL  20          2HG1      VAL  20   2.244   1.706  -4.476
  149   3HG1  VAL  20          3HG1      VAL  20   3.470   1.008  -5.534
  150   1HG2  VAL  20          1HG2      VAL  20   4.786  -0.617  -3.526
  151   2HG2  VAL  20          2HG2      VAL  20   3.742  -1.969  -3.086
  152   3HG2  VAL  20          3HG2      VAL  20   3.706  -0.483  -2.139
  153    H    CYS  21           H        CYS  21  -0.191  -1.773  -4.563
  154    HA   CYS  21           HA       CYS  21  -0.837  -3.680  -2.498
  155   1HB   CYS  21          2HB       CYS  21  -2.268  -3.136  -4.423
  156   2HB   CYS  21          1HB       CYS  21  -1.044  -3.758  -5.527
  157    H    SER  22           H        SER  22   0.108  -5.707  -2.082
  158    HA   SER  22           HA       SER  22   2.409  -6.521  -3.821
  159   1HB   SER  22          2HB       SER  22   3.608  -5.598  -2.087
  160   2HB   SER  22          1HB       SER  22   2.281  -5.780  -0.943
  161    HG   SER  22           HG       SER  22   3.735  -7.974  -1.994
  162    H    SER  23           H        SER  23   2.045  -8.592  -4.478
  163    HA   SER  23           HA       SER  23   0.046 -10.303  -3.344
  164   1HB   SER  23          2HB       SER  23   1.008 -10.201  -5.721
  165   2HB   SER  23          1HB       SER  23   2.390 -11.088  -5.085
  166    HG   SER  23           HG       SER  23   0.777 -12.477  -5.938
  167    H    ARG  24           H        ARG  24   3.410  -9.741  -2.688
  168    HA   ARG  24           HA       ARG  24   3.910 -12.280  -1.322
  169   1HB   ARG  24          2HB       ARG  24   5.498 -10.551  -2.514
  170   2HB   ARG  24          1HB       ARG  24   5.464  -9.727  -0.957
  171   1HG   ARG  24          2HG       ARG  24   6.033 -12.679  -1.081
  172   2HG   ARG  24          1HG       ARG  24   7.322 -11.516  -1.397
  173   1HD   ARG  24          2HD       ARG  24   6.240 -10.437   0.863
  174   2HD   ARG  24          1HD       ARG  24   5.969 -12.166   1.157
  175    HE   ARG  24           HE       ARG  24   8.571 -10.855   1.018
  176   1HH1  ARG  24          1HH1      ARG  24   6.903 -13.668   1.746
  177   2HH1  ARG  24          2HH1      ARG  24   8.211 -14.747   1.395
  178   1HH2  ARG  24          1HH2      ARG  24  10.229 -12.284   0.023
  179   2HH2  ARG  24          2HH2      ARG  24  10.094 -13.964   0.422
  180    H    TRP  25           H        TRP  25   3.123  -8.952  -0.424
  181    HA   TRP  25           HA       TRP  25   3.044  -9.648   2.453
  182   1HB   TRP  25          2HB       TRP  25   2.617  -7.102   0.858
  183   2HB   TRP  25          1HB       TRP  25   2.577  -7.181   2.620
  184    HD1  TRP  25           HD       TRP  25   4.899  -6.474  -0.071
  185    HE1  TRP  25           1HE      TRP  25   7.346  -6.733   0.695
  186    HE3  TRP  25           3HE      TRP  25   4.209  -9.008   4.316
  187    HZ2  TRP  25           2HZ      TRP  25   8.802  -7.843   2.832
  188    HZ3  TRP  25           3HZ      TRP  25   6.162  -9.656   5.700
  189    HH2  TRP  25           HH       TRP  25   8.463  -9.078   4.965
  190    H    LYS  26           H        LYS  26   0.950  -9.544  -0.247
  191    HA   LYS  26           HA       LYS  26  -1.339 -10.076  -0.415
  192   1HB   LYS  26          2HB       LYS  26  -2.019 -11.473   1.253
  193   2HB   LYS  26          1HB       LYS  26  -0.392 -11.240   1.880
  194   1HG   LYS  26          2HG       LYS  26  -1.665  -9.056   2.924
  195   2HG   LYS  26          1HG       LYS  26  -2.973 -10.232   2.915
  196   1HD   LYS  26          2HD       LYS  26  -0.297 -10.403   4.304
  197   2HD   LYS  26          1HD       LYS  26  -1.908 -10.496   5.015
  198   1HE   LYS  26          2HE       LYS  26  -0.916 -12.567   3.030
  199   2HE   LYS  26          1HE       LYS  26  -0.710 -12.741   4.782
  200   1HZ   LYS  26          1HZ       LYS  26  -2.986 -12.712   5.143
  201   2HZ   LYS  26          2HZ       LYS  26  -2.854 -13.644   3.727
  202   3HZ   LYS  26          3HZ       LYS  26  -3.331 -12.016   3.635
  203    H    TRP  27           H        TRP  27  -0.326  -7.234   0.129
  204    HA   TRP  27           HA       TRP  27  -2.869  -5.953   0.259
  205   1HB   TRP  27          2HB       TRP  27  -2.636  -5.004   2.585
  206   2HB   TRP  27          1HB       TRP  27  -2.905  -6.742   2.554
  207    HD1  TRP  27           HD       TRP  27   0.399  -4.774   2.096
  208    HE1  TRP  27           1HE      TRP  27   2.109  -5.657   3.797
  209    HE3  TRP  27           3HE      TRP  27  -2.515  -8.091   4.660
  210    HZ2  TRP  27           2HZ      TRP  27   2.241  -7.468   5.947
  211    HZ3  TRP  27           3HZ      TRP  27  -1.559  -9.372   6.556
  212    HH2  TRP  27           HH       TRP  27   0.813  -9.068   7.207
  213    H    CYS  28           H        CYS  28  -2.489  -3.485   0.972
  214    HA   CYS  28           HA       CYS  28  -0.455  -2.406  -0.771
  215   1HB   CYS  28          2HB       CYS  28  -2.268  -1.288   1.389
  216   2HB   CYS  28          1HB       CYS  28  -1.251  -0.263   0.372
  217    H    VAL  29           H        VAL  29   1.695  -2.643  -0.220
  218    HA   VAL  29           HA       VAL  29   2.480  -2.668   2.633
  219    HB   VAL  29           HB       VAL  29   4.716  -3.253   1.565
  220   1HG1  VAL  29          1HG1      VAL  29   3.724  -5.208   2.185
  221   2HG1  VAL  29          2HG1      VAL  29   3.468  -5.410   0.451
  222   3HG1  VAL  29          3HG1      VAL  29   2.177  -4.765   1.464
  223   1HG2  VAL  29          1HG2      VAL  29   3.778  -2.099  -0.659
  224   2HG2  VAL  29          2HG2      VAL  29   3.216  -3.741  -0.977
  225   3HG2  VAL  29          3HG2      VAL  29   4.934  -3.430  -0.733
  226    H    LEU  30           H        LEU  30   4.222  -1.324   3.421
  227    HA   LEU  30           HA       LEU  30   3.993   1.460   2.753
  228   1HB   LEU  30          2HB       LEU  30   6.115  -0.077   4.286
  229   2HB   LEU  30          1HB       LEU  30   5.805   1.656   4.413
  230    HG   LEU  30           HG       LEU  30   3.681  -0.429   4.971
  231   1HD1  LEU  30          1HD1      LEU  30   5.689   0.874   6.825
  232   2HD1  LEU  30          2HD1      LEU  30   5.391  -0.849   6.594
  233   3HD1  LEU  30          3HD1      LEU  30   4.186   0.153   7.403
  234   1HD2  LEU  30          1HD2      LEU  30   2.613   1.627   4.643
  235   2HD2  LEU  30          2HD2      LEU  30   3.974   2.549   5.282
  236   3HD2  LEU  30          3HD2      LEU  30   2.915   1.664   6.380
  237    H    ALA  31           H        ALA  31   4.522   1.655   0.483
  238    HA   ALA  31           HA       ALA  31   7.112   0.712  -0.516
  239   1HB   ALA  31          1HB       ALA  31   4.713   2.199  -1.537
  240   2HB   ALA  31          2HB       ALA  31   5.431   0.703  -2.133
  241   3HB   ALA  31          3HB       ALA  31   6.204   2.251  -2.478
  242    H    SER  32           H        SER  32   7.710   2.282   1.639
  243    HA   SER  32           HA       SER  32   9.511   4.230   0.638
  244   1HB   SER  32          2HB       SER  32   6.739   5.006   0.671
  245   2HB   SER  32          1HB       SER  32   7.629   6.007   1.814
  246    HG   SER  32           HG       SER  32   9.212   5.996  -0.131
  247    HA   PRO  33           HA       PRO  33  10.704   4.213   4.857
  248   1HB   PRO  33          2HB       PRO  33  11.802   6.702   5.169
  249   2HB   PRO  33          1HB       PRO  33  12.586   5.411   4.237
  250   1HG   PRO  33          2HG       PRO  33  11.019   7.752   3.280
  251   2HG   PRO  33          1HG       PRO  33  12.472   7.008   2.595
  252   1HD   PRO  33          2HD       PRO  33   9.956   6.598   1.615
  253   2HD   PRO  33          1HD       PRO  33  11.279   5.422   1.456
  254    H    PHE  34           H        PHE  34   8.422   4.185   5.631
  255    HA   PHE  34           HA       PHE  34   7.153   6.755   6.304
  256   1HB   PHE  34          2HB       PHE  34   6.417   4.046   5.854
  257   2HB   PHE  34          1HB       PHE  34   5.933   4.445   7.503
  258    HD1  PHE  34           1HD      PHE  34   4.833   6.868   7.761
  259    HD2  PHE  34           2HD      PHE  34   4.944   4.577   4.130
  260    HE1  PHE  34           1HE      PHE  34   2.909   8.164   6.886
  261    HE2  PHE  34           2HE      PHE  34   3.020   5.873   3.253
  262    HZ   PHE  34           HZ       PHE  34   2.003   7.667   4.631
  Start of MODEL   19
    1   1H    GLU   1          1HT       GLU   1 -10.446   3.296  -1.904
    2   2H    GLU   1          2HT       GLU   1  -8.910   3.332  -2.629
    3   3H    GLU   1          3HT       GLU   1 -10.209   4.163  -3.343
    4    HA   GLU   1           HA       GLU   1  -9.408   5.969  -2.291
    5   1HB   GLU   1          2HB       GLU   1 -10.438   4.459   0.128
    6   2HB   GLU   1          1HB       GLU   1 -10.471   6.203  -0.135
    7   1HG   GLU   1          2HG       GLU   1 -11.764   4.807  -2.326
    8   2HG   GLU   1          1HG       GLU   1 -12.499   4.370  -0.783
    9    H    CYS   2           H        CYS   2  -8.186   6.698  -0.095
   10    HA   CYS   2           HA       CYS   2  -5.546   5.579  -0.202
   11   1HB   CYS   2          2HB       CYS   2  -6.473   7.896   0.555
   12   2HB   CYS   2          1HB       CYS   2  -6.695   7.119   2.121
   13    H    GLY   3           H        GLY   3  -5.850   3.269   0.194
   14   1HA   GLY   3          2HA       GLY   3  -7.015   2.412   2.739
   15   2HA   GLY   3          1HA       GLY   3  -6.262   1.359   1.541
   16    H    LYS   4           H        LYS   4  -5.885   1.802   4.571
   17    HA   LYS   4           HA       LYS   4  -3.128   2.748   4.827
   18   1HB   LYS   4          2HB       LYS   4  -5.360   2.368   6.453
   19   2HB   LYS   4          1HB       LYS   4  -4.235   1.122   6.993
   20   1HG   LYS   4          2HG       LYS   4  -2.818   3.600   6.551
   21   2HG   LYS   4          1HG       LYS   4  -4.177   3.870   7.643
   22   1HD   LYS   4          2HD       LYS   4  -2.818   1.385   8.284
   23   2HD   LYS   4          1HD       LYS   4  -1.692   2.743   8.311
   24   1HE   LYS   4          2HE       LYS   4  -3.472   3.980   9.713
   25   2HE   LYS   4          1HE       LYS   4  -4.226   2.387   9.929
   26   1HZ   LYS   4          1HZ       LYS   4  -2.611   1.753  11.304
   27   2HZ   LYS   4          2HZ       LYS   4  -2.085   3.367  11.342
   28   3HZ   LYS   4          3HZ       LYS   4  -1.391   2.271  10.245
   29    H    PHE   5           H        PHE   5  -1.393   1.305   5.655
   30    HA   PHE   5           HA       PHE   5  -0.725  -0.870   4.110
   31   1HB   PHE   5          2HB       PHE   5   0.713   0.253   5.768
   32   2HB   PHE   5          1HB       PHE   5  -0.228  -0.463   7.075
   33    HD1  PHE   5           1HD      PHE   5   1.384  -1.667   3.895
   34    HD2  PHE   5           2HD      PHE   5   0.770  -2.291   8.100
   35    HE1  PHE   5           1HE      PHE   5   2.799  -3.702   3.801
   36    HE2  PHE   5           2HE      PHE   5   2.185  -4.324   8.006
   37    HZ   PHE   5           HZ       PHE   5   3.201  -5.028   5.856
   38    H    MET   6           H        MET   6  -0.952  -3.149   4.310
   39    HA   MET   6           HA       MET   6  -1.932  -5.194   4.957
   40   1HB   MET   6          2HB       MET   6  -3.294  -3.659   7.175
   41   2HB   MET   6          1HB       MET   6  -2.820  -5.355   7.155
   42   1HG   MET   6          2HG       MET   6  -0.400  -4.409   6.840
   43   2HG   MET   6          1HG       MET   6  -1.091  -2.921   7.490
   44   1HE   MET   6          1HE       MET   6  -1.617  -6.999   9.370
   45   2HE   MET   6          2HE       MET   6  -0.024  -6.775   8.656
   46   3HE   MET   6          3HE       MET   6  -1.463  -6.543   7.668
   47    H    TRP   7           H        TRP   7  -3.535  -2.496   3.866
   48    HA   TRP   7           HA       TRP   7  -6.284  -3.444   4.103
   49   1HB   TRP   7          2HB       TRP   7  -4.786  -1.208   2.819
   50   2HB   TRP   7          1HB       TRP   7  -6.371  -1.594   2.164
   51    HD1  TRP   7           HD       TRP   7  -5.229  -1.708   5.853
   52    HE1  TRP   7           1HE      TRP   7  -6.821  -0.184   7.210
   53    HE3  TRP   7           3HE      TRP   7  -8.061   0.181   2.079
   54    HZ2  TRP   7           2HZ      TRP   7  -8.985   1.581   6.754
   55    HZ3  TRP   7           3HZ      TRP   7  -9.898   1.791   2.556
   56    HH2  TRP   7           HH       TRP   7 -10.362   2.495   4.892
   57    H    LYS   8           H        LYS   8  -7.234  -4.941   2.799
   58    HA   LYS   8           HA       LYS   8  -5.964  -6.454   0.804
   59   1HB   LYS   8          2HB       LYS   8  -8.628  -5.985   1.874
   60   2HB   LYS   8          1HB       LYS   8  -8.695  -6.307   0.140
   61   1HG   LYS   8          2HG       LYS   8  -8.318  -8.494   0.503
   62   2HG   LYS   8          1HG       LYS   8  -6.815  -8.113   1.344
   63   1HD   LYS   8          2HD       LYS   8  -8.493  -7.458   3.306
   64   2HD   LYS   8          1HD       LYS   8  -9.544  -8.599   2.466
   65   1HE   LYS   8          2HE       LYS   8  -8.419 -10.101   3.822
   66   2HE   LYS   8          1HE       LYS   8  -7.255 -10.047   2.483
   67   1HZ   LYS   8          1HZ       LYS   8  -7.091  -8.840   5.123
   68   2HZ   LYS   8          2HZ       LYS   8  -6.567  -7.861   3.837
   69   3HZ   LYS   8          3HZ       LYS   8  -5.850  -9.378   4.101
   70    H    CYS   9           H        CYS   9  -5.663  -6.144  -1.409
   71    HA   CYS   9           HA       CYS   9  -6.845  -3.709  -2.667
   72   1HB   CYS   9          2HB       CYS   9  -4.468  -3.366  -3.579
   73   2HB   CYS   9          1HB       CYS   9  -4.711  -3.016  -1.868
   74    H    LYS  10           H        LYS  10  -5.630  -3.825  -5.084
   75    HA   LYS  10           HA       LYS  10  -6.171  -6.585  -6.126
   76   1HB   LYS  10          2HB       LYS  10  -7.345  -5.538  -7.970
   77   2HB   LYS  10          1HB       LYS  10  -7.991  -4.863  -6.475
   78   1HG   LYS  10          2HG       LYS  10  -6.467  -2.918  -6.713
   79   2HG   LYS  10          1HG       LYS  10  -5.880  -3.582  -8.237
   80   1HD   LYS  10          2HD       LYS  10  -8.829  -3.154  -7.820
   81   2HD   LYS  10          1HD       LYS  10  -7.798  -1.803  -8.292
   82   1HE   LYS  10          2HE       LYS  10  -8.178  -2.547 -10.423
   83   2HE   LYS  10          1HE       LYS  10  -6.977  -3.793 -10.028
   84   1HZ   LYS  10          1HZ       LYS  10  -8.953  -4.908 -10.707
   85   2HZ   LYS  10          2HZ       LYS  10  -9.922  -3.959  -9.682
   86   3HZ   LYS  10          3HZ       LYS  10  -8.834  -5.087  -9.024
   87    H    ASN  11           H        ASN  11  -4.396  -3.553  -6.434
   88    HA   ASN  11           HA       ASN  11  -2.083  -4.884  -7.576
   89   1HB   ASN  11          2HB       ASN  11  -4.193  -4.171  -9.303
   90   2HB   ASN  11          1HB       ASN  11  -2.936  -2.962  -9.564
   91   1HD2  ASN  11          1HD2      ASN  11  -3.351  -4.671 -11.682
   92   2HD2  ASN  11          2HD2      ASN  11  -2.104  -5.817 -11.790
   93    H    SER  12           H        SER  12  -3.794  -1.768  -7.311
   94    HA   SER  12           HA       SER  12  -1.931  -0.474  -5.665
   95   1HB   SER  12          2HB       SER  12  -0.997  -0.967  -8.328
   96   2HB   SER  12          1HB       SER  12  -1.183   0.771  -8.121
   97    HG   SER  12           HG       SER  12   0.424  -1.056  -6.706
   98    H    ASN  13           H        ASN  13  -4.785  -0.483  -6.367
   99    HA   ASN  13           HA       ASN  13  -5.140   2.394  -7.142
  100   1HB   ASN  13          2HB       ASN  13  -6.662  -0.148  -7.640
  101   2HB   ASN  13          1HB       ASN  13  -7.531   1.388  -7.643
  102   1HD2  ASN  13          1HD2      ASN  13  -5.241  -0.587  -9.421
  103   2HD2  ASN  13          2HD2      ASN  13  -5.081   0.454 -10.752
  104    H    ASP  14           H        ASP  14  -5.175   0.327  -4.525
  105    HA   ASP  14           HA       ASP  14  -7.216   2.004  -3.097
  106   1HB   ASP  14          2HB       ASP  14  -7.707  -0.475  -3.638
  107   2HB   ASP  14          1HB       ASP  14  -6.468  -0.850  -2.438
  108    H    CYS  15           H        CYS  15  -3.953   1.256  -3.346
  109    HA   CYS  15           HA       CYS  15  -3.261   1.216  -0.511
  110   1HB   CYS  15          2HB       CYS  15  -1.642   1.666  -3.037
  111   2HB   CYS  15          1HB       CYS  15  -0.982   1.254  -1.453
  112    H    CYS  16           H        CYS  16  -2.650   2.941   0.751
  113    HA   CYS  16           HA       CYS  16  -3.380   5.616   0.056
  114   1HB   CYS  16          2HB       CYS  16  -2.112   4.122   2.243
  115   2HB   CYS  16          1HB       CYS  16  -1.540   5.784   2.111
  116    H    LYS  17           H        LYS  17  -1.602   7.432   0.315
  117    HA   LYS  17           HA       LYS  17   0.090   7.467  -1.910
  118   1HB   LYS  17          2HB       LYS  17  -0.677   9.345  -0.370
  119   2HB   LYS  17          1HB       LYS  17   0.596   8.841   0.741
  120   1HG   LYS  17          2HG       LYS  17   2.272   9.163  -1.067
  121   2HG   LYS  17          1HG       LYS  17   0.987   9.742  -2.127
  122   1HD   LYS  17          2HD       LYS  17   0.966  11.784  -1.156
  123   2HD   LYS  17          1HD       LYS  17   1.001  11.096   0.468
  124   1HE   LYS  17          2HE       LYS  17   3.259  11.352   0.643
  125   2HE   LYS  17          1HE       LYS  17   3.535  10.778  -1.015
  126   1HZ   LYS  17          1HZ       LYS  17   3.311  12.839  -1.871
  127   2HZ   LYS  17          2HZ       LYS  17   3.759  13.338  -0.310
  128   3HZ   LYS  17          3HZ       LYS  17   2.120  13.303  -0.757
  129    H    ASP  18           H        ASP  18   2.318   6.971  -2.194
  130    HA   ASP  18           HA       ASP  18   4.327   5.788  -1.818
  131   1HB   ASP  18          2HB       ASP  18   3.551   6.467   1.039
  132   2HB   ASP  18          1HB       ASP  18   5.164   5.998   0.503
  133    H    LEU  19           H        LEU  19   1.470   4.497  -1.435
  134    HA   LEU  19           HA       LEU  19   2.478   1.976  -0.150
  135   1HB   LEU  19          2HB       LEU  19   0.587   3.543   0.883
  136   2HB   LEU  19          1HB       LEU  19  -0.430   2.690  -0.280
  137    HG   LEU  19           HG       LEU  19   0.518   0.520   0.657
  138   1HD1  LEU  19          1HD1      LEU  19   1.266   2.156   3.069
  139   2HD1  LEU  19          2HD1      LEU  19   2.439   1.913   1.776
  140   3HD1  LEU  19          3HD1      LEU  19   1.774   0.524   2.634
  141   1HD2  LEU  19          1HD2      LEU  19  -1.006   2.317   2.575
  142   2HD2  LEU  19          2HD2      LEU  19  -0.975   0.554   2.614
  143   3HD2  LEU  19          3HD2      LEU  19  -1.728   1.391   1.258
  144    H    VAL  20           H        VAL  20   2.209   0.104  -1.376
  145    HA   VAL  20           HA       VAL  20   0.502   0.274  -3.831
  146    HB   VAL  20           HB       VAL  20   2.400  -0.902  -5.010
  147   1HG1  VAL  20          1HG1      VAL  20   3.722   1.538  -4.060
  148   2HG1  VAL  20          2HG1      VAL  20   2.029   1.790  -4.484
  149   3HG1  VAL  20          3HG1      VAL  20   3.148   1.129  -5.676
  150   1HG2  VAL  20          1HG2      VAL  20   3.380  -1.626  -2.712
  151   2HG2  VAL  20          2HG2      VAL  20   4.102  -0.016  -2.682
  152   3HG2  VAL  20          3HG2      VAL  20   4.510  -1.141  -3.977
  153    H    CYS  21           H        CYS  21  -0.496  -1.690  -4.379
  154    HA   CYS  21           HA       CYS  21  -0.916  -3.641  -2.321
  155   1HB   CYS  21          2HB       CYS  21  -2.446  -3.011  -4.198
  156   2HB   CYS  21          1HB       CYS  21  -1.350  -3.818  -5.319
  157    H    SER  22           H        SER  22  -0.038  -5.781  -2.099
  158    HA   SER  22           HA       SER  22   2.110  -6.528  -4.035
  159   1HB   SER  22          2HB       SER  22   2.296  -5.862  -1.145
  160   2HB   SER  22          1HB       SER  22   3.257  -7.226  -1.709
  161    HG   SER  22           HG       SER  22   4.250  -5.072  -1.847
  162    H    SER  23           H        SER  23   1.755  -8.592  -4.684
  163    HA   SER  23           HA       SER  23  -0.173 -10.330  -3.508
  164   1HB   SER  23          2HB       SER  23   1.099 -10.172  -5.869
  165   2HB   SER  23          1HB       SER  23   2.119 -11.390  -5.105
  166    HG   SER  23           HG       SER  23  -0.699 -11.569  -5.055
  167    H    ARG  24           H        ARG  24   3.125  -9.621  -2.799
  168    HA   ARG  24           HA       ARG  24   3.732 -12.096  -1.358
  169   1HB   ARG  24          2HB       ARG  24   5.295 -10.387  -2.546
  170   2HB   ARG  24          1HB       ARG  24   5.090  -9.407  -1.095
  171   1HG   ARG  24          2HG       ARG  24   5.869 -11.336   0.277
  172   2HG   ARG  24          1HG       ARG  24   6.166 -12.240  -1.209
  173   1HD   ARG  24          2HD       ARG  24   8.158 -11.202  -1.499
  174   2HD   ARG  24          1HD       ARG  24   7.396  -9.605  -1.345
  175    HE   ARG  24           HE       ARG  24   7.403 -10.187   1.209
  176   1HH1  ARG  24          1HH1      ARG  24   9.236 -12.495  -0.207
  177   2HH1  ARG  24          2HH1      ARG  24  10.743 -12.059   0.525
  178   1HH2  ARG  24          1HH2      ARG  24   9.566  -9.045   1.774
  179   2HH2  ARG  24          2HH2      ARG  24  10.931 -10.105   1.648
  180    H    TRP  25           H        TRP  25   2.941  -8.730  -0.541
  181    HA   TRP  25           HA       TRP  25   2.539  -9.473   2.303
  182   1HB   TRP  25          2HB       TRP  25   2.326  -6.816   0.857
  183   2HB   TRP  25          1HB       TRP  25   2.367  -7.058   2.597
  184    HD1  TRP  25           HD       TRP  25   4.615  -7.219  -0.486
  185    HE1  TRP  25           1HE      TRP  25   7.071  -7.272   0.285
  186    HE3  TRP  25           3HE      TRP  25   3.964  -7.701   4.562
  187    HZ2  TRP  25           2HZ      TRP  25   8.549  -7.484   2.668
  188    HZ3  TRP  25           3HZ      TRP  25   5.935  -7.826   6.062
  189    HH2  TRP  25           HH       TRP  25   8.231  -7.718   5.125
  190    H    LYS  26           H        LYS  26   0.791  -9.839  -0.376
  191    HA   LYS  26           HA       LYS  26  -1.477  -9.738  -0.977
  192   1HB   LYS  26          2HB       LYS  26  -2.799 -10.750   1.083
  193   2HB   LYS  26          1HB       LYS  26  -1.633 -11.718   0.193
  194   1HG   LYS  26          2HG       LYS  26  -1.034 -12.110   2.414
  195   2HG   LYS  26          1HG       LYS  26   0.081 -10.839   1.969
  196   1HD   LYS  26          2HD       LYS  26  -0.735  -9.937   3.923
  197   2HD   LYS  26          1HD       LYS  26  -1.948  -9.308   2.807
  198   1HE   LYS  26          2HE       LYS  26  -3.256 -10.291   4.520
  199   2HE   LYS  26          1HE       LYS  26  -3.193 -11.573   3.293
  200   1HZ   LYS  26          1HZ       LYS  26  -1.566 -11.301   5.748
  201   2HZ   LYS  26          2HZ       LYS  26  -1.051 -12.267   4.448
  202   3HZ   LYS  26          3HZ       LYS  26  -2.506 -12.621   5.250
  203    H    TRP  27           H        TRP  27  -0.547  -7.228  -0.110
  204    HA   TRP  27           HA       TRP  27  -2.985  -5.828   0.170
  205   1HB   TRP  27          2HB       TRP  27  -2.826  -5.081   2.546
  206   2HB   TRP  27          1HB       TRP  27  -3.128  -6.804   2.391
  207    HD1  TRP  27           HD       TRP  27   0.307  -5.019   2.162
  208    HE1  TRP  27           1HE      TRP  27   1.826  -6.026   3.979
  209    HE3  TRP  27           3HE      TRP  27  -2.990  -8.101   4.512
  210    HZ2  TRP  27           2HZ      TRP  27   1.690  -7.839   6.121
  211    HZ3  TRP  27           3HZ      TRP  27  -2.269  -9.458   6.455
  212    HH2  TRP  27           HH       TRP  27   0.069  -9.333   7.267
  213    H    CYS  28           H        CYS  28  -2.568  -3.448   0.809
  214    HA   CYS  28           HA       CYS  28  -0.449  -2.400  -0.775
  215   1HB   CYS  28          2HB       CYS  28  -2.136  -1.250   1.468
  216   2HB   CYS  28          1HB       CYS  28  -1.156  -0.271   0.372
  217    H    VAL  29           H        VAL  29   1.664  -1.899  -0.275
  218    HA   VAL  29           HA       VAL  29   2.538  -2.317   2.566
  219    HB   VAL  29           HB       VAL  29   4.715  -2.985   1.380
  220   1HG1  VAL  29          1HG1      VAL  29   3.283  -5.126   0.407
  221   2HG1  VAL  29          2HG1      VAL  29   2.154  -4.425   1.565
  222   3HG1  VAL  29          3HG1      VAL  29   3.762  -4.920   2.092
  223   1HG2  VAL  29          1HG2      VAL  29   3.557  -1.892  -0.809
  224   2HG2  VAL  29          2HG2      VAL  29   3.082  -3.574  -1.034
  225   3HG2  VAL  29          3HG2      VAL  29   4.790  -3.149  -0.908
  226    H    LEU  30           H        LEU  30   4.655  -1.145   3.023
  227    HA   LEU  30           HA       LEU  30   4.393   1.675   2.574
  228   1HB   LEU  30          2HB       LEU  30   6.780   0.012   3.445
  229   2HB   LEU  30          1HB       LEU  30   6.552   1.734   3.754
  230    HG   LEU  30           HG       LEU  30   4.562  -0.345   4.683
  231   1HD1  LEU  30          1HD1      LEU  30   6.085   0.646   6.861
  232   2HD1  LEU  30          2HD1      LEU  30   7.239   0.112   5.640
  233   3HD1  LEU  30          3HD1      LEU  30   6.025  -1.009   6.257
  234   1HD2  LEU  30          1HD2      LEU  30   3.970   1.481   6.272
  235   2HD2  LEU  30          2HD2      LEU  30   3.768   1.974   4.591
  236   3HD2  LEU  30          3HD2      LEU  30   5.177   2.513   5.505
  237    H    ALA  31           H        ALA  31   4.245   1.347   0.070
  238    HA   ALA  31           HA       ALA  31   5.268   1.405  -2.076
  239   1HB   ALA  31          1HB       ALA  31   7.395   3.063  -1.652
  240   2HB   ALA  31          2HB       ALA  31   6.489   3.306  -0.159
  241   3HB   ALA  31          3HB       ALA  31   5.724   3.621  -1.717
  242    H    SER  32           H        SER  32   5.994  -0.990  -0.959
  243    HA   SER  32           HA       SER  32   8.961  -1.187  -1.078
  244   1HB   SER  32          2HB       SER  32   6.680  -2.974  -0.225
  245   2HB   SER  32          1HB       SER  32   8.316  -3.603  -0.401
  246    HG   SER  32           HG       SER  32   8.991  -1.987   1.081
  247    HA   PRO  33           HA       PRO  33   8.299  -2.387  -5.356
  248   1HB   PRO  33          2HB       PRO  33  10.959  -2.460  -6.004
  249   2HB   PRO  33          1HB       PRO  33  10.023  -0.954  -5.920
  250   1HG   PRO  33          2HG       PRO  33  11.898  -2.130  -3.930
  251   2HG   PRO  33          1HG       PRO  33  11.668  -0.439  -4.402
  252   1HD   PRO  33          2HD       PRO  33  10.643  -1.505  -2.117
  253   2HD   PRO  33          1HD       PRO  33   9.893  -0.146  -2.983
  254    H    PHE  34           H        PHE  34   7.678  -4.479  -4.000
  255    HA   PHE  34           HA       PHE  34   7.930  -6.810  -3.687
  256   1HB   PHE  34          2HB       PHE  34   9.344  -6.088  -6.246
  257   2HB   PHE  34          1HB       PHE  34   9.331  -7.762  -5.692
  258    HD1  PHE  34           1HD      PHE  34   7.245  -9.038  -5.559
  259    HD2  PHE  34           2HD      PHE  34   7.285  -4.971  -6.941
  260    HE1  PHE  34           1HE      PHE  34   4.952  -9.322  -6.461
  261    HE2  PHE  34           2HE      PHE  34   4.992  -5.254  -7.841
  262    HZ   PHE  34           HZ       PHE  34   3.825  -7.430  -7.601
  Start of MODEL   20
    1   1H    GLU   1          1HT       GLU   1  -8.043   4.663  -4.235
    2   2H    GLU   1          2HT       GLU   1  -9.608   4.313  -3.674
    3   3H    GLU   1          3HT       GLU   1  -8.258   3.593  -2.937
    4    HA   GLU   1           HA       GLU   1  -8.429   6.526  -2.969
    5   1HB   GLU   1          2HB       GLU   1  -9.780   6.207  -0.802
    6   2HB   GLU   1          1HB       GLU   1 -10.647   5.931  -2.313
    7   1HG   GLU   1          2HG       GLU   1 -10.394   3.537  -2.103
    8   2HG   GLU   1          1HG       GLU   1  -9.320   3.725  -0.716
    9    H    CYS   2           H        CYS   2  -7.962   6.882  -0.319
   10    HA   CYS   2           HA       CYS   2  -5.305   5.590   0.065
   11   1HB   CYS   2          2HB       CYS   2  -5.980   8.147   0.072
   12   2HB   CYS   2          1HB       CYS   2  -6.451   7.806   1.736
   13    H    GLY   3           H        GLY   3  -5.409   3.749   1.320
   14   1HA   GLY   3          2HA       GLY   3  -7.318   3.760   3.626
   15   2HA   GLY   3          1HA       GLY   3  -6.798   2.294   2.792
   16    H    LYS   4           H        LYS   4  -5.685   1.209   4.369
   17    HA   LYS   4           HA       LYS   4  -3.313   2.598   5.561
   18   1HB   LYS   4          2HB       LYS   4  -5.665   1.909   6.865
   19   2HB   LYS   4          1HB       LYS   4  -4.595   0.553   7.226
   20   1HG   LYS   4          2HG       LYS   4  -3.350   3.228   7.450
   21   2HG   LYS   4          1HG       LYS   4  -4.607   2.882   8.638
   22   1HD   LYS   4          2HD       LYS   4  -2.740   0.650   8.193
   23   2HD   LYS   4          1HD       LYS   4  -1.986   2.094   8.873
   24   1HE   LYS   4          2HE       LYS   4  -3.054   1.846  10.874
   25   2HE   LYS   4          1HE       LYS   4  -4.582   1.380  10.100
   26   1HZ   LYS   4          1HZ       LYS   4  -3.637  -0.775   9.582
   27   2HZ   LYS   4          2HZ       LYS   4  -3.562  -0.502  11.256
   28   3HZ   LYS   4          3HZ       LYS   4  -2.164  -0.340  10.303
   29    H    PHE   5           H        PHE   5  -1.568   1.068   6.121
   30    HA   PHE   5           HA       PHE   5  -0.917  -0.853   4.221
   31   1HB   PHE   5          2HB       PHE   5   0.573   0.114   5.951
   32   2HB   PHE   5          1HB       PHE   5  -0.259  -0.836   7.182
   33    HD1  PHE   5           1HD      PHE   5   2.280  -0.838   4.611
   34    HD2  PHE   5           2HD      PHE   5  -0.191  -3.396   7.023
   35    HE1  PHE   5           1HE      PHE   5   3.805  -2.731   4.161
   36    HE2  PHE   5           2HE      PHE   5   1.340  -5.290   6.568
   37    HZ   PHE   5           HZ       PHE   5   3.341  -4.955   5.139
   38    H    MET   6           H        MET   6  -0.886  -3.219   4.390
   39    HA   MET   6           HA       MET   6  -1.784  -5.319   4.919
   40   1HB   MET   6          2HB       MET   6  -2.020  -3.738   7.250
   41   2HB   MET   6          1HB       MET   6  -3.559  -4.578   7.059
   42   1HG   MET   6          2HG       MET   6  -2.610  -6.664   7.317
   43   2HG   MET   6          1HG       MET   6  -1.070  -6.162   6.621
   44   1HE   MET   6          1HE       MET   6   0.518  -6.623   7.614
   45   2HE   MET   6          2HE       MET   6   0.581  -7.193   9.279
   46   3HE   MET   6          3HE       MET   6   1.197  -5.591   8.880
   47    H    TRP   7           H        TRP   7  -3.374  -2.854   3.576
   48    HA   TRP   7           HA       TRP   7  -6.130  -3.849   3.763
   49   1HB   TRP   7          2HB       TRP   7  -4.624  -1.621   2.458
   50   2HB   TRP   7          1HB       TRP   7  -6.196  -2.050   1.789
   51    HD1  TRP   7           HD       TRP   7  -5.260  -2.230   5.503
   52    HE1  TRP   7           1HE      TRP   7  -6.829  -0.634   6.807
   53    HE3  TRP   7           3HE      TRP   7  -7.716  -0.034   1.619
   54    HZ2  TRP   7           2HZ      TRP   7  -8.831   1.290   6.275
   55    HZ3  TRP   7           3HZ      TRP   7  -9.458   1.684   2.040
   56    HH2  TRP   7           HH       TRP   7 -10.020   2.353   4.364
   57    H    LYS   8           H        LYS   8  -7.122  -5.206   2.302
   58    HA   LYS   8           HA       LYS   8  -5.470  -6.528   0.250
   59   1HB   LYS   8          2HB       LYS   8  -7.606  -7.870   0.010
   60   2HB   LYS   8          1HB       LYS   8  -6.951  -7.847   1.647
   61   1HG   LYS   8          2HG       LYS   8  -8.842  -6.916   2.428
   62   2HG   LYS   8          1HG       LYS   8  -8.671  -5.571   1.299
   63   1HD   LYS   8          2HD       LYS   8 -10.488  -6.357   0.223
   64   2HD   LYS   8          1HD       LYS   8  -9.508  -7.736  -0.279
   65   1HE   LYS   8          2HE       LYS   8 -10.761  -9.104   1.018
   66   2HE   LYS   8          1HE       LYS   8 -10.346  -8.139   2.449
   67   1HZ   LYS   8          1HZ       LYS   8 -12.098  -6.657   2.042
   68   2HZ   LYS   8          2HZ       LYS   8 -12.782  -8.194   1.802
   69   3HZ   LYS   8          3HZ       LYS   8 -12.350  -7.236   0.467
   70    H    CYS   9           H        CYS   9  -5.356  -5.681  -1.799
   71    HA   CYS   9           HA       CYS   9  -7.750  -4.248  -2.876
   72   1HB   CYS   9          2HB       CYS   9  -5.527  -3.058  -4.046
   73   2HB   CYS   9          1HB       CYS   9  -6.477  -2.383  -2.728
   74    H    LYS  10           H        LYS  10  -6.803  -3.716  -5.387
   75    HA   LYS  10           HA       LYS  10  -6.818  -6.390  -6.617
   76   1HB   LYS  10          2HB       LYS  10  -7.269  -5.100  -8.648
   77   2HB   LYS  10          1HB       LYS  10  -8.279  -4.503  -7.333
   78   1HG   LYS  10          2HG       LYS  10  -6.336  -2.815  -6.914
   79   2HG   LYS  10          1HG       LYS  10  -5.833  -3.234  -8.550
   80   1HD   LYS  10          2HD       LYS  10  -8.713  -2.589  -8.141
   81   2HD   LYS  10          1HD       LYS  10  -7.570  -1.249  -8.058
   82   1HE   LYS  10          2HE       LYS  10  -7.365  -1.239 -10.310
   83   2HE   LYS  10          1HE       LYS  10  -6.919  -2.957 -10.306
   84   1HZ   LYS  10          1HZ       LYS  10  -9.072  -3.624 -10.530
   85   2HZ   LYS  10          2HZ       LYS  10  -9.175  -2.147 -11.363
   86   3HZ   LYS  10          3HZ       LYS  10  -9.706  -2.257  -9.753
   87    H    ASN  11           H        ASN  11  -4.672  -3.532  -6.615
   88    HA   ASN  11           HA       ASN  11  -2.326  -5.215  -7.064
   89   1HB   ASN  11          2HB       ASN  11  -3.872  -4.165  -9.261
   90   2HB   ASN  11          1HB       ASN  11  -2.263  -3.443  -9.273
   91   1HD2  ASN  11          1HD2      ASN  11  -0.451  -4.821  -9.738
   92   2HD2  ASN  11          2HD2      ASN  11  -0.631  -6.446 -10.195
   93    H    SER  12           H        SER  12  -3.595  -1.900  -7.404
   94    HA   SER  12           HA       SER  12  -1.929  -0.782  -5.398
   95   1HB   SER  12          2HB       SER  12  -0.109  -1.381  -6.894
   96   2HB   SER  12          1HB       SER  12  -0.933  -0.631  -8.258
   97    HG   SER  12           HG       SER  12   0.683   0.479  -6.425
   98    H    ASN  13           H        ASN  13  -4.645  -0.565  -6.630
   99    HA   ASN  13           HA       ASN  13  -4.615   2.334  -7.395
  100   1HB   ASN  13          2HB       ASN  13  -5.761   0.021  -8.544
  101   2HB   ASN  13          1HB       ASN  13  -7.105   0.936  -7.860
  102   1HD2  ASN  13          1HD2      ASN  13  -4.032   1.881  -9.524
  103   2HD2  ASN  13          2HD2      ASN  13  -4.789   2.917 -10.635
  104    H    ASP  14           H        ASP  14  -5.014   0.488  -4.732
  105    HA   ASP  14           HA       ASP  14  -7.155   2.278  -3.636
  106   1HB   ASP  14          2HB       ASP  14  -6.819  -0.676  -3.700
  107   2HB   ASP  14          1HB       ASP  14  -7.416   0.001  -2.186
  108    H    CYS  15           H        CYS  15  -3.944   1.305  -3.441
  109    HA   CYS  15           HA       CYS  15  -3.623   1.355  -0.537
  110   1HB   CYS  15          2HB       CYS  15  -1.743   1.452  -2.914
  111   2HB   CYS  15          1HB       CYS  15  -1.200   1.313  -1.242
  112    H    CYS  16           H        CYS  16  -2.624   3.050   0.660
  113    HA   CYS  16           HA       CYS  16  -3.275   5.742  -0.110
  114   1HB   CYS  16          2HB       CYS  16  -2.051   4.253   2.108
  115   2HB   CYS  16          1HB       CYS  16  -1.427   5.892   1.926
  116    H    LYS  17           H        LYS  17  -1.571   7.512  -0.222
  117    HA   LYS  17           HA       LYS  17   0.183   7.268  -2.360
  118   1HB   LYS  17          2HB       LYS  17  -0.534   9.353  -1.201
  119   2HB   LYS  17          1HB       LYS  17   0.536   8.947   0.142
  120   1HG   LYS  17          2HG       LYS  17   2.176  10.032  -0.960
  121   2HG   LYS  17          1HG       LYS  17   2.148   8.717  -2.137
  122   1HD   LYS  17          2HD       LYS  17   1.749  10.524  -3.536
  123   2HD   LYS  17          1HD       LYS  17   0.094  10.084  -3.114
  124   1HE   LYS  17          2HE       LYS  17   0.525  11.741  -1.073
  125   2HE   LYS  17          1HE       LYS  17   1.715  12.430  -2.195
  126   1HZ   LYS  17          1HZ       LYS  17  -0.247  12.083  -3.880
  127   2HZ   LYS  17          2HZ       LYS  17  -0.158  13.484  -2.923
  128   3HZ   LYS  17          3HZ       LYS  17  -1.194  12.212  -2.479
  129    H    ASP  18           H        ASP  18   2.461   6.832  -2.525
  130    HA   ASP  18           HA       ASP  18   4.446   5.666  -1.997
  131   1HB   ASP  18          2HB       ASP  18   3.499   6.919   0.571
  132   2HB   ASP  18          1HB       ASP  18   4.931   5.889   0.579
  133    H    LEU  19           H        LEU  19   1.582   4.441  -1.640
  134    HA   LEU  19           HA       LEU  19   2.518   1.974  -0.220
  135   1HB   LEU  19          2HB       LEU  19   0.765   3.654   0.858
  136   2HB   LEU  19          1HB       LEU  19  -0.355   2.850  -0.242
  137    HG   LEU  19           HG       LEU  19   0.418   0.647   0.690
  138   1HD1  LEU  19          1HD1      LEU  19   2.581   1.795   1.600
  139   2HD1  LEU  19          2HD1      LEU  19   1.823   0.536   2.573
  140   3HD1  LEU  19          3HD1      LEU  19   1.573   2.233   2.978
  141   1HD2  LEU  19          1HD2      LEU  19  -0.850   2.729   2.487
  142   2HD2  LEU  19          2HD2      LEU  19  -0.736   1.031   2.953
  143   3HD2  LEU  19          3HD2      LEU  19  -1.657   1.494   1.521
  144    H    VAL  20           H        VAL  20   2.112   0.082  -1.367
  145    HA   VAL  20           HA       VAL  20   0.296   0.248  -3.739
  146    HB   VAL  20           HB       VAL  20   2.065  -0.805  -5.082
  147   1HG1  VAL  20          1HG1      VAL  20   3.599   1.369  -3.761
  148   2HG1  VAL  20          2HG1      VAL  20   1.987   1.796  -4.336
  149   3HG1  VAL  20          3HG1      VAL  20   3.185   1.158  -5.462
  150   1HG2  VAL  20          1HG2      VAL  20   3.798  -0.536  -2.607
  151   2HG2  VAL  20          2HG2      VAL  20   4.260  -1.252  -4.153
  152   3HG2  VAL  20          3HG2      VAL  20   3.065  -2.052  -3.133
  153    H    CYS  21           H        CYS  21  -0.814  -1.678  -4.136
  154    HA   CYS  21           HA       CYS  21  -0.945  -3.662  -2.041
  155   1HB   CYS  21          2HB       CYS  21  -2.558  -2.768  -4.023
  156   2HB   CYS  21          1HB       CYS  21  -1.959  -4.242  -4.776
  157    H    SER  22           H        SER  22   0.210  -5.575  -1.873
  158    HA   SER  22           HA       SER  22   1.839  -6.415  -4.249
  159   1HB   SER  22          2HB       SER  22   2.832  -5.204  -2.057
  160   2HB   SER  22          1HB       SER  22   2.842  -6.870  -1.483
  161    HG   SER  22           HG       SER  22   3.816  -7.202  -3.745
  162    H    SER  23           H        SER  23   1.724  -8.572  -4.718
  163    HA   SER  23           HA       SER  23  -0.182 -10.273  -3.424
  164   1HB   SER  23          2HB       SER  23   0.331 -11.703  -5.200
  165   2HB   SER  23          1HB       SER  23   0.840 -10.150  -5.857
  166    HG   SER  23           HG       SER  23   2.875 -10.734  -5.680
  167    H    ARG  24           H        ARG  24   3.199  -9.637  -2.924
  168    HA   ARG  24           HA       ARG  24   3.791 -12.143  -1.534
  169   1HB   ARG  24          2HB       ARG  24   5.285 -10.337  -2.802
  170   2HB   ARG  24          1HB       ARG  24   5.352  -9.605  -1.199
  171   1HG   ARG  24          2HG       ARG  24   5.825 -12.539  -1.347
  172   2HG   ARG  24          1HG       ARG  24   7.096 -11.498  -1.988
  173   1HD   ARG  24          2HD       ARG  24   6.116 -10.450   0.537
  174   2HD   ARG  24          1HD       ARG  24   6.674 -12.124   0.721
  175    HE   ARG  24           HE       ARG  24   8.395  -9.891   0.241
  176   1HH1  ARG  24          1HH1      ARG  24   8.271 -13.230   0.343
  177   2HH1  ARG  24          2HH1      ARG  24   9.663 -13.496  -0.651
  178   1HH2  ARG  24          1HH2      ARG  24   9.986 -10.162  -1.551
  179   2HH2  ARG  24          2HH2      ARG  24  10.636 -11.758  -1.723
  180    H    TRP  25           H        TRP  25   3.155  -8.772  -0.616
  181    HA   TRP  25           HA       TRP  25   3.095  -9.451   2.253
  182   1HB   TRP  25          2HB       TRP  25   2.453  -6.897   0.738
  183   2HB   TRP  25          1HB       TRP  25   2.760  -7.028   2.470
  184    HD1  TRP  25           HD       TRP  25   4.496  -6.418  -0.721
  185    HE1  TRP  25           1HE      TRP  25   7.050  -6.538  -0.403
  186    HE3  TRP  25           3HE      TRP  25   4.723  -8.531   3.923
  187    HZ2  TRP  25           2HZ      TRP  25   8.917  -7.401   1.518
  188    HZ3  TRP  25           3HZ      TRP  25   6.920  -8.994   4.976
  189    HH2  TRP  25           HH       TRP  25   9.022  -8.433   3.781
  190    H    LYS  26           H        LYS  26   0.968  -9.504  -0.393
  191    HA   LYS  26           HA       LYS  26  -1.321  -9.990  -0.541
  192   1HB   LYS  26          2HB       LYS  26  -1.980 -11.411   1.119
  193   2HB   LYS  26          1HB       LYS  26  -0.328 -11.217   1.689
  194   1HG   LYS  26          2HG       LYS  26  -1.601  -9.034   2.819
  195   2HG   LYS  26          1HG       LYS  26  -2.843 -10.279   2.888
  196   1HD   LYS  26          2HD       LYS  26  -0.109 -10.244   4.145
  197   2HD   LYS  26          1HD       LYS  26  -1.671 -10.575   4.894
  198   1HE   LYS  26          2HE       LYS  26  -1.143 -12.781   4.668
  199   2HE   LYS  26          1HE       LYS  26  -1.454 -12.559   2.934
  200   1HZ   LYS  26          1HZ       LYS  26   0.947 -11.504   3.070
  201   2HZ   LYS  26          2HZ       LYS  26   0.721 -13.171   2.829
  202   3HZ   LYS  26          3HZ       LYS  26   1.090 -12.575   4.378
  203    H    TRP  27           H        TRP  27  -0.300  -7.159   0.074
  204    HA   TRP  27           HA       TRP  27  -2.852  -5.901   0.270
  205   1HB   TRP  27          2HB       TRP  27  -2.582  -5.018   2.618
  206   2HB   TRP  27          1HB       TRP  27  -2.840  -6.755   2.538
  207    HD1  TRP  27           HD       TRP  27   0.457  -4.789   2.044
  208    HE1  TRP  27           1HE      TRP  27   2.200  -5.696   3.697
  209    HE3  TRP  27           3HE      TRP  27  -2.417  -8.119   4.638
  210    HZ2  TRP  27           2HZ      TRP  27   2.370  -7.533   5.822
  211    HZ3  TRP  27           3HZ      TRP  27  -1.426  -9.426   6.497
  212    HH2  TRP  27           HH       TRP  27   0.964  -9.139   7.097
  213    H    CYS  28           H        CYS  28  -2.357  -3.481   1.332
  214    HA   CYS  28           HA       CYS  28  -0.543  -2.212  -0.534
  215   1HB   CYS  28          2HB       CYS  28  -2.055  -1.320   1.944
  216   2HB   CYS  28          1HB       CYS  28  -1.182  -0.206   0.894
  217    H    VAL  29           H        VAL  29   1.667  -2.085  -0.253
  218    HA   VAL  29           HA       VAL  29   2.742  -2.477   2.508
  219    HB   VAL  29           HB       VAL  29   4.801  -3.120   1.263
  220   1HG1  VAL  29          1HG1      VAL  29   3.414  -5.029  -0.100
  221   2HG1  VAL  29          2HG1      VAL  29   2.163  -4.447   0.997
  222   3HG1  VAL  29          3HG1      VAL  29   3.679  -5.077   1.643
  223   1HG2  VAL  29          1HG2      VAL  29   3.127  -3.003  -1.244
  224   2HG2  VAL  29          2HG2      VAL  29   4.879  -3.145  -1.096
  225   3HG2  VAL  29          3HG2      VAL  29   4.085  -1.613  -0.731
  226    H    LEU  30           H        LEU  30   4.241  -1.014   3.350
  227    HA   LEU  30           HA       LEU  30   4.093   1.714   2.662
  228   1HB   LEU  30          2HB       LEU  30   6.306   1.760   4.000
  229   2HB   LEU  30          1HB       LEU  30   4.889   1.092   4.808
  230    HG   LEU  30           HG       LEU  30   6.069  -1.071   3.418
  231   1HD1  LEU  30          1HD1      LEU  30   8.037   0.926   4.258
  232   2HD1  LEU  30          2HD1      LEU  30   8.251  -0.505   3.251
  233   3HD1  LEU  30          3HD1      LEU  30   8.304  -0.647   5.009
  234   1HD2  LEU  30          1HD2      LEU  30   6.647  -1.736   5.839
  235   2HD2  LEU  30          2HD2      LEU  30   4.951  -1.400   5.493
  236   3HD2  LEU  30          3HD2      LEU  30   5.942  -0.189   6.308
  237    H    ALA  31           H        ALA  31   4.346   1.791   0.319
  238    HA   ALA  31           HA       ALA  31   7.008   1.083  -0.790
  239   1HB   ALA  31          1HB       ALA  31   4.327   1.111  -1.671
  240   2HB   ALA  31          2HB       ALA  31   5.753   0.720  -2.634
  241   3HB   ALA  31          3HB       ALA  31   5.144   2.375  -2.593
  242    H    SER  32           H        SER  32   7.539   3.085   0.908
  243    HA   SER  32           HA       SER  32   7.085   5.759   0.339
  244   1HB   SER  32          2HB       SER  32   8.934   4.180   1.770
  245   2HB   SER  32          1HB       SER  32   9.907   5.273   0.792
  246    HG   SER  32           HG       SER  32   7.669   6.321   2.085
  247    HA   PRO  33           HA       PRO  33  10.474   5.762  -3.035
  248   1HB   PRO  33          2HB       PRO  33  11.523   3.361  -3.822
  249   2HB   PRO  33          1HB       PRO  33  12.196   4.315  -2.486
  250   1HG   PRO  33          2HG       PRO  33  10.444   1.917  -2.404
  251   2HG   PRO  33          1HG       PRO  33  11.777   2.381  -1.336
  252   1HD   PRO  33          2HD       PRO  33   9.126   2.682  -0.707
  253   2HD   PRO  33          1HD       PRO  33  10.433   3.661  -0.008
  254    H    PHE  34           H        PHE  34   7.827   5.678  -3.524
  255    HA   PHE  34           HA       PHE  34   6.165   5.140  -5.124
  256   1HB   PHE  34          2HB       PHE  34   8.541   5.933  -6.270
  257   2HB   PHE  34          1HB       PHE  34   8.215   4.421  -7.116
  258    HD1  PHE  34           1HD      PHE  34   7.199   4.809  -9.176
  259    HD2  PHE  34           2HD      PHE  34   6.047   7.185  -5.789
  260    HE1  PHE  34           1HE      PHE  34   5.490   5.955 -10.562
  261    HE2  PHE  34           2HE      PHE  34   4.338   8.331  -7.174
  262    HZ   PHE  34           HZ       PHE  34   4.060   7.715  -9.560