*HEADER    TOXIN                                   16-SEP-99   1D1H              
*TITLE     SOLUTION STRUCTURE OF HANATOXIN 1                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HANATOXIN TYPE 1;                                          
*COMPND   3 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: GRAMMOSTOLA SPATULATA;                          
*SOURCE   3 ORGANISM_COMMON: TARANTULA;                                          
*SOURCE   4 TISSUE: VENOM                                                        
*KEYWDS    CYSTINE KNOT                                                          
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    H.TAKAHASHI, J.I.KIM, K.SATO, K.J.SWARTZ, I.SHIMADA                   
*REVDAT   1   20-SEP-00 1D1H    0

!! NOE
assi (resi 2    and name HN  ) (resi 2    and name HA  )  2.00  0.20  0.70
assi (resi 2    and name HN  ) (resi 2    and name HB# )  3.00  1.20  1.30   
assi (resi 2    and name HA  ) (resi 2    and name HB# )  2.00  0.20  1.70
assi (resi 3    and name HN  ) (resi 3    and name HB# )  3.00  1.20  1.30   
assi (resi 3    and name HN  ) (resi 3    and name HG# )  4.00  2.20  2.00
assi (resi 3    and name HN  ) (resi 3    and name HD# )  2.00  0.20  1.70
assi (resi 3    and name HA  ) (resi 3    and name HB# )  3.00  1.20  1.30   
assi (resi 3    and name HA  ) (resi 3    and name HG# )  3.00  1.20  1.30   
assi (resi 3    and name HA  ) (resi 3    and name HD# )  4.00  2.20  2.00
assi (resi 3    and name HB# ) (resi 3    and name HD# )  4.00  2.20  3.00
assi (resi 3    and name HG# ) (resi 3    and name HH# )  5.00  3.20  4.40
assi (resi 3    and name HD# ) (resi 3    and name HH# )  5.00  3.20  4.40
assi (resi 4    and name HN  ) (resi 4    and name HA  )  2.00  0.20  0.70
assi (resi 4    and name HN  ) (resi 4    and name HB# )  2.00  0.20  1.70
assi (resi 4    and name HN  ) (resi 4    and name HD# )  5.00  3.20  3.00
assi (resi 4    and name HA  ) (resi 4    and name HB# )  3.00  1.20  1.30   
assi (resi 4    and name HA  ) (resi 4    and name HD# )  3.00  1.20  2.30   
assi (resi 4    and name HB# ) (resi 4    and name HD# )  2.00  0.20  3.70
assi (resi 4    and name HB# ) (resi 4    and name HE# )  5.00  3.20  4.00
assi (resi 5    and name HN  ) (resi 5    and name HG  )  4.00  2.20  1.00
assi (resi 5    and name HN  ) (resi 5    and name HB# )  3.00  1.20  1.30   
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 HG  )  4.00  2.20  1.00
assi (resi 5    and name HA  ) (resi 5    and name HB# )  3.00  1.20  1.30   
assi (resi 5    and name HA  ) (resi 5    and name HD# )  3.00  1.20  2.70   
assi (resi 5    and name HG  ) (resi 5    and name HB# )  3.00  1.20  1.30   
assi (resi 5    and name HB# ) (resi 5    and name HD# )  3.00  1.20  3.70   
assi (resi 6    and name HN  ) (resi 6    and name HA  )  2.00  0.20  0.70
assi (resi 6    and name HN  ) (resi 6    and name HB# )  4.00  2.20  2.00
assi (resi 6    and name HN  ) (resi 6    and name HD# )  5.00  3.20  3.00
assi (resi 6    and name HA  ) (resi 6    and name HB# )  3.00  1.20  1.30   
assi (resi 6    and name HA  ) (resi 6    and name HD# )  3.00  1.20  2.30   
assi (resi 6    and name HB# ) (resi 6    and name HD# )  3.00  1.20  3.30   
assi (resi 7    and name HN  ) (resi 7    and name HA# )  2.00  0.20  1.70
assi (resi 8    and name HN  ) (resi 8    and name HA# )  2.00  0.20  1.70
assi (resi 9    and name HN  ) (resi 9    and name HB# )  4.00  2.20  2.00
assi (resi 9    and name HA  ) (resi 9    and name HB# )  2.00  0.20  1.70
assi (resi 10   and name HN  ) (resi 10   and name HB# )  3.00  1.20  1.30   
assi (resi 10   and name HN  ) (resi 10   and name HG# )  5.00  3.20  2.00
assi (resi 10   and name HA  ) (resi 10   and name HB# )  2.00  0.20  1.70
assi (resi 10   and name HA  ) (resi 10   and name HG# )  3.00  1.20  1.30   
assi (resi 10   and name HA  ) (resi 10   and name HD# )  3.00  1.20  1.30   
assi (resi 10   and name HB# ) (resi 10   and name HD# )  4.00  2.20  3.00
assi (resi 11   and name HN  ) (resi 11   and name HB  )  4.00  2.20  1.00
assi (resi 11   and name HN  ) (resi 11   and name HG2#)  4.00  2.20  1.80
assi (resi 11   and name HA  ) (resi 11   and name HG2#)  3.00  1.20  1.10   
assi (resi 12   and name HN  ) (resi 12   and name HB  )  2.00  0.20  0.70
assi (resi 12   and name HN  ) (resi 12   and name HG2#)  5.00  3.20  1.80
assi (resi 12   and name HA  ) (resi 12   and name HG2#)  4.00  2.20  1.80
assi (resi 13   and name HN  ) (resi 13   and name HA  )  2.00  0.20  0.70
assi (resi 13   and name HN  ) (resi 13   and name HB# )  2.00  0.20  1.70
assi (resi 14   and name HN  ) (resi 14   and name HB1 )  4.00  2.20  1.00
assi (resi 14   and name HN  ) (resi 14   and name HB2 )  3.00  1.20  0.30   
assi (resi 14   and name HA  ) (resi 14   and name HB1 )  2.00  0.20  0.70
assi (resi 14   and name HA  ) (resi 14   and name HB2 )  3.00  1.20  0.30   
assi (resi 15   and name HN  ) (resi 15   and name HB2 )  2.00  0.20  0.70
assi (resi 15   and name HN  ) (resi 15   and name HB1 )  4.00  2.20  1.00
assi (resi 15   and name HA  ) (resi 15   and name HB1 )  3.00  1.20  0.30   
assi (resi 16   and name HN  ) (resi 16   and name HA  )  3.00  1.20  0.30   
assi (resi 16   and name HN  ) (resi 16   and name HB2 )  3.00  1.20  0.30   
assi (resi 16   and name HN  ) (resi 16   and name HB1 )  4.00  2.20  1.00
assi (resi 17   and name HN  ) (resi 17   and name HA  )  3.00  1.20  0.30   
assi (resi 17   and name HN  ) (resi 17   and name HB# )  2.00  0.20  1.70
assi (resi 17   and name HN  ) (resi 17   and name HG# )  4.00  2.20  2.00
assi (resi 17   and name HA  ) (resi 17   and name HB# )  3.00  1.20  1.30   
assi (resi 17   and name HA  ) (resi 17   and name HG# )  4.00  2.20  2.00
assi (resi 18   and name HN  ) (resi 18   and name HA  )  2.00  0.20  0.70
assi (resi 18   and name HN  ) (resi 18   and name HB2 )  2.00  0.20  0.70
assi (resi 18   and name HN  ) (resi 18   and name HD2 )  5.00  3.20  1.00
assi (resi 18   and name HA  ) (resi 18   and name HB1 )  2.00  0.20  0.70
assi (resi 19   and name HN  ) (resi 19   and name HB1 )  4.00  2.20  1.00
assi (resi 19   and name HN  ) (resi 19   and name HB2 )  3.00  1.20  0.30   
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 HD# )  5.00  3.20  3.40
assi (resi 19   and name HA  ) (resi 19   and name HB1 )  3.00  1.20  0.30   
assi (resi 19   and name HA  ) (resi 19   and name HG  )  3.00  1.20  0.30   
assi (resi 19   and name HA  ) (resi 19   and name HD# )  3.00  1.20  2.70   
assi (resi 19   and name HB1 ) (resi 19   and name HD# )  3.00  1.20  2.70   
assi (resi 19   and name HB2 ) (resi 19   and name HG  )  3.00  1.20  0.30   
assi (resi 19   and name HB2 ) (resi 19   and name HD# )  3.00  1.20  2.70   
assi (resi 20   and name HN  ) (resi 20   and name HA# )  2.00  0.20  1.70
assi (resi 21   and name HN  ) (resi 21   and name HA  )  2.00  0.20  0.70
assi (resi 21   and name HN  ) (resi 21   and name HB2 )  3.00  1.20  0.30   
assi (resi 21   and name HN  ) (resi 21   and name HB1 )  3.00  1.20  0.30   
assi (resi 22   and name HN  ) (resi 22   and name HB# )  3.00  1.20  1.30   
assi (resi 22   and name HN  ) (resi 22   and name HG# )  4.00  2.20  2.00
assi (resi 22   and name HN  ) (resi 22   and name HD# )  3.00  1.20  1.30   
assi (resi 22   and name HA  ) (resi 22   and name HB# )  3.00  1.20  1.30   
assi (resi 22   and name HA  ) (resi 22   and name HG# )  4.00  2.20  2.00
assi (resi 22   and name HA  ) (resi 22   and name HD# )  4.00  2.20  2.00
assi (resi 23   and name HN  ) (resi 23   and name HA  )  2.00  0.20  0.70
assi (resi 23   and name HN  ) (resi 23   and name HB# )  3.00  1.20  1.30   
assi (resi 23   and name HN  ) (resi 23   and name HD# )  5.00  3.20  3.00
assi (resi 23   and name HA  ) (resi 23   and name HD# )  4.00  2.20  3.00
assi (resi 23   and name HB# ) (resi 23   and name HD# )  2.00  0.20  3.70
assi (resi 24   and name HN  ) (resi 24   and name HA  )  3.00  1.20  0.30   
assi (resi 24   and name HN  ) (resi 24   and name HB# )  3.00  1.20  1.30   
assi (resi 24   and name HN  ) (resi 24   and name HG# )  4.00  2.20  2.00
assi (resi 24   and name HA  ) (resi 24   and name HB# )  2.00  0.20  1.70
assi (resi 24   and name HA  ) (resi 24   and name HG# )  4.00  2.20  2.00
assi (resi 24   and name HB# ) (resi 24   and name HD# )  4.00  2.20  3.00
assi (resi 24   and name HD# ) (resi 24   and name HH# )  2.00  0.20  4.10
assi (resi 25   and name HN  ) (resi 25   and name HA  )  3.00  1.20  0.30   
assi (resi 25   and name HA  ) (resi 25   and name HB# )  3.00  1.20  1.30   
assi (resi 26   and name HN  ) (resi 26   and name HA  )  3.00  1.20  0.30   
assi (resi 26   and name HN  ) (resi 26   and name HB# )  3.00  1.20  1.30   
assi (resi 26   and name HN  ) (resi 26   and name HG# )  4.00  2.20  2.00
assi (resi 26   and name HA  ) (resi 26   and name HG# )  4.00  2.20  2.00
assi (resi 27   and name HN  ) (resi 27   and name HB1 )  4.00  2.20  1.00
assi (resi 27   and name HA  ) (resi 27   and name HB2 )  3.00  1.20  0.30   
assi (resi 27   and name HA  ) (resi 27   and name HB1 )  3.00  1.20  0.30   
assi (resi 27   and name HA  ) (resi 27   and name HD# )  5.00  3.20  3.00
assi (resi 27   and name HA  ) (resi 27   and name HE# )  5.00  3.20  3.00
assi (resi 27   and name HB2 ) (resi 27   and name HD# )  3.00  1.20  2.30   
assi (resi 27   and name HB1 ) (resi 27   and name HD# )  2.00  0.20  2.70
assi (resi 27   and name HB1 ) (resi 27   and name HE# )  5.00  3.20  3.00
assi (resi 28   and name HN  ) (resi 28   and name HB1 )  4.00  2.20  1.00
assi (resi 28   and name HN  ) (resi 28   and name HB2 )  2.00  0.20  0.70
assi (resi 28   and name HA  ) (resi 28   and name HB1 )  3.00  1.20  0.30   
assi (resi 28   and name HA  ) (resi 28   and name HB2 )  3.00  1.20  0.30   
assi (resi 29   and name HN  ) (resi 29   and name HB# )  3.00  1.20  1.10   
assi (resi 30   and name HN  ) (resi 30   and name HD1 )  5.00  3.20  1.00
assi (resi 30   and name HN  ) (resi 30   and name HB# )  3.00  1.20  1.30   
assi (resi 30   and name HA  ) (resi 30   and name HE3 )  2.00  0.20  0.70
assi (resi 30   and name HA  ) (resi 30   and name HB# )  2.00  0.20  1.70
assi (resi 30   and name HD1 ) (resi 30   and name HB# )  2.00  0.20  1.70
assi (resi 30   and name HE3 ) (resi 30   and name HB# )  4.00  2.20  2.00
assi (resi 31   and name HN  ) (resi 31   and name HA  )  2.00  0.20  0.70
assi (resi 31   and name HN  ) (resi 31   and name HB# )  3.00  1.20  1.30   
assi (resi 31   and name HA  ) (resi 31   and name HB# )  3.00  1.20  1.30   
assi (resi 32   and name HN  ) (resi 32   and name HA  )  2.00  0.20  0.70
assi (resi 32   and name HN  ) (resi 32   and name HB# )  2.00  0.20  1.70
assi (resi 32   and name HN  ) (resi 32   and name HD# )  4.00  2.20  3.00
assi (resi 32   and name HA  ) (resi 32   and name HB# )  2.00  0.20  1.70
assi (resi 32   and name HB# ) (resi 32   and name HD# )  2.00  0.20  3.70
assi (resi 33   and name HN  ) (resi 33   and name HA  )  3.00  1.20  0.30   
assi (resi 33   and name HN  ) (resi 33   and name HB  )  4.00  2.20  1.00
assi (resi 33   and name HN  ) (resi 33   and name HG2#)  4.00  2.20  1.80
assi (resi 33   and name HA  ) (resi 33   and name HG2#)  3.00  1.20  1.10   
assi (resi 34   and name HN  ) (resi 34   and name HA  )  3.00  1.20  0.30   
assi (resi 34   and name HN  ) (resi 34   and name HB# )  3.00  1.20  1.30   
assi (resi 34   and name HN  ) (resi 34   and name HD# )  4.00  2.20  3.00
assi (resi 34   and name HA  ) (resi 34   and name HB# )  2.00  0.20  1.70
assi (resi 34   and name HB# ) (resi 34   and name HD# )  2.00  0.20  3.70
assi (resi 35   and name HN  ) (resi 35   and name HA  )  3.00  1.20  0.30   
assi (resi 35   and name HN  ) (resi 35   and name HB# )  4.00  2.20  2.00
assi (resi 1    and name HA  ) (resi 2    and name HN  )  2.00  0.20  0.70
assi (resi 1    and name HB# ) (resi 2    and name HN  )  4.00  2.20  2.00
assi (resi 1    and name HG# ) (resi 2    and name HN  )  4.00  2.20  2.00
assi (resi 2    and name HA  ) (resi 3    and name HN  )  2.00  0.20  0.70
assi (resi 2    and name HA  ) (resi 3    and name HB# )  4.00  2.20  2.00
assi (resi 2    and name HA  ) (resi 3    and name HG# )  5.00  3.20  2.00
assi (resi 2    and name HB# ) (resi 3    and name HN  )  3.00  1.20  1.30   
assi (resi 3    and name HN  ) (resi 4    and name HN  )  5.00  3.20  1.00
assi (resi 3    and name HA  ) (resi 4    and name HN  )  2.00  0.20  0.70
assi (resi 3    and name HA  ) (resi 4    and name HD# )  4.00  2.20  3.00
assi (resi 3    and name HB# ) (resi 4    and name HN  )  4.00  2.20  2.00
assi (resi 3    and name HG# ) (resi 4    and name HN  )  4.00  2.20  2.00
assi (resi 3    and name HD# ) (resi 4    and name HN  )  3.00  1.20  0.30   
assi (resi 4    and name HN  ) (resi 5    and name HN  )  5.00  1.70  1.00     
assi (resi 4    and name HA  ) (resi 5    and name HN  )  2.00  0.20  0.70 
assi (resi 4    and name HB# ) (resi 5    and name HN  )  2.00  0.20  1.70
assi (resi 4    and name HB# ) (resi 5    and name HB# )  5.00  3.20  3.00
assi (resi 4    and name HD# ) (resi 5    and name HN  )  3.00  1.20  2.30   
assi (resi 4    and name HD# ) (resi 5    and name HB# )  4.00  2.20  4.00
assi (resi 4    and name HD# ) (resi 5    and name HD# )  2.00  0.20  5.10
assi (resi 4    and name HE# ) (resi 5    and name HB# )  5.00  3.20  4.00
assi (resi 4    and name HE# ) (resi 5    and name HD# )  4.00  2.20  5.40
assi (resi 5    and name HN  ) (resi 6    and name HN  )  5.00  3.20  1.00
assi (resi 5    and name HA  ) (resi 6    and name HN  )  2.00  0.20  0.70
assi (resi 5    and name HA  ) (resi 6    and name HA  )  4.00  2.20  1.00
assi (resi 5    and name HA  ) (resi 6    and name HD# )  5.00  3.20  3.00
assi (resi 5    and name HG  ) (resi 6    and name HN  )  4.00  2.20  1.00
assi (resi 5    and name HG  ) (resi 6    and name HD# )  4.00  2.20  3.00
assi (resi 5    and name HB# ) (resi 6    and name HN  )  4.00  2.20  2.00
assi (resi 5    and name HB# ) (resi 6    and name HD# )  4.00  2.20  4.00
assi (resi 5    and name HD# ) (resi 6    and name HN  )  3.00  1.20  2.70   
assi (resi 5    and name HD# ) (resi 6    and name HA  )  5.00  3.20  3.40
assi (resi 5    and name HD# ) (resi 6    and name HB# )  4.00  2.20  4.40
assi (resi 5    and name HD# ) (resi 6    and name HD# )  4.00  2.20  5.40
assi (resi 6    and name HN  ) (resi 7    and name HN  )  3.00  1.20  0.30   
assi (resi 6    and name HA  ) (resi 7    and name HN  )  4.00  2.20  1.00
assi (resi 6    and name HB# ) (resi 7    and name HN  )  4.00  2.20  2.00
assi (resi 7    and name HA# ) (resi 8    and name HN  )  2.00  0.20  1.70
assi (resi 7    and name HN  ) (resi 8    and name HN  )  5.00  1.70  1.00     
assi (resi 8    and name HN  ) (resi 9    and name HN  )  5.00  3.20  1.00
assi (resi 8    and name HA# ) (resi 9    and name HN  )  2.00  0.20  1.70
assi (resi 8    and name HA# ) (resi 9    and name HB# )  4.00  2.20  3.00
assi (resi 9    and name HA  ) (resi 10   and name HN  )  2.00  0.20  0.70
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  )  2.00  0.20  1.70
assi (resi 10   and name HN  ) (resi 11   and name HN  )  2.00  0.20  0.70
assi (resi 10   and name HN  ) (resi 11   and name HG2#)  5.00  3.20  1.80
assi (resi 10   and name HA  ) (resi 11   and name HN  )  3.00  1.20  0.30   
assi (resi 10   and name HB# ) (resi 11   and name HN  )  2.00  0.20  1.70
assi (resi 10   and name HB# ) (resi 11   and name HG2#)  3.00  1.20  2.10   
assi (resi 11   and name HA  ) (resi 12   and name HN  )  2.00  0.20  0.70
assi (resi 11   and name HA  ) (resi 12   and name HA  )  5.00  3.20  1.00
assi (resi 11   and name HB  ) (resi 12   and name HN  )  2.00  0.20  0.70
assi (resi 11   and name HG2#) (resi 12   and name HN  )  4.00  2.20  1.80
assi (resi 12   and name HN  ) (resi 13   and name HN  )  3.00  1.20  0.30   
assi (resi 12   and name HA  ) (resi 13   and name HN  )  4.00  2.20  1.00
assi (resi 12   and name HG2#) (resi 13   and name HN  )  3.00  1.20  1.10   
assi (resi 12   and name HG2#) (resi 13   and name HB# )  4.00  2.20  2.80
assi (resi 13   and name HN  ) (resi 14   and name HN  )  3.00  1.20  0.30   
assi (resi 13   and name HA  ) (resi 14   and name HN  )  3.00  1.20  0.30   
assi (resi 13   and name HB# ) (resi 14   and name HN  )  4.00  2.20  2.00
assi (resi 14   and name HN  ) (resi 15   and name HN  )  2.00  0.20  0.70
assi (resi 14   and name HA  ) (resi 15   and name HN  )  4.00  2.20  1.00
assi (resi 15   and name HN  ) (resi 16   and name HN  )  5.00  3.20  1.00
assi (resi 15   and name HA  ) (resi 16   and name HN  )  2.00  0.20  0.70
assi (resi 15   and name HA  ) (resi 16   and name HB2 )  5.00  3.20  1.00
assi (resi 15   and name HB2 ) (resi 16   and name HN  )  4.00  2.20  1.00
assi (resi 15   and name HB1 ) (resi 16   and name HN  )  3.00  1.20  0.30   
assi (resi 15   and name HB1 ) (resi 16   and name HB2 )  4.00  2.20  1.00
assi (resi 16   and name HN  ) (resi 17   and name HN  )  5.00  3.20  1.00
assi (resi 16   and name HA  ) (resi 17   and name HN  )  2.00  0.20  0.70
assi (resi 16   and name HB2 ) (resi 17   and name HN  )  3.00  1.20  0.30   
assi (resi 16   and name HB1 ) (resi 17   and name HN  )  2.00  0.20  0.70
assi (resi 16   and name HB1 ) (resi 17   and name HB# )  5.00  3.20  2.00
assi (resi 17   and name HN  ) (resi 18   and name HN  )  4.00  2.20  1.00
assi (resi 17   and name HN  ) (resi 18   and name HA  )  4.00  2.20  1.00
assi (resi 17   and name HB# ) (resi 18   and name HN  )  3.00  1.20  1.30   
assi (resi 17   and name HG# ) (resi 18   and name HN  )  4.00  2.20  2.00
assi (resi 17   and name HN  ) (resi 18   and name HN  )  2.00  0.20  0.70
assi (resi 18   and name HN  ) (resi 19   and name HN  )  2.00  0.20  0.70
assi (resi 18   and name HA  ) (resi 19   and name HN  )  3.00  1.20  0.30   
assi (resi 18   and name HB1 ) (resi 19   and name HN  )  5.00  3.20  1.00
assi (resi 18   and name HB2 ) (resi 19   and name HN  )  3.00  1.20  0.30   
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  )  2.00  0.20  0.70
assi (resi 19   and name HB1 ) (resi 20   and name HN  )  3.00  1.20  0.30   
assi (resi 19   and name HB2 ) (resi 20   and name HN  )  4.00  2.20  1.00
assi (resi 19   and name HG  ) (resi 20   and name HN  )  4.00  2.20  1.00
assi (resi 19   and name HD# ) (resi 20   and name HN  )  4.00  2.20  3.40
assi (resi 20   and name HN  ) (resi 21   and name HN  )  5.00  3.20  1.00
assi (resi 21   and name HA  ) (resi 22   and name HN  )  2.00  0.20  0.70
assi (resi 21   and name HA  ) (resi 22   and name HB# )  4.00  2.20  2.00
assi (resi 22   and name HA  ) (resi 23   and name HN  )  2.00  0.20  0.70
assi (resi 22   and name HB# ) (resi 23   and name HN  )  4.00  2.20  2.00
assi (resi 22   and name HG# ) (resi 23   and name HN  )  5.00  3.20  2.00
assi (resi 23   and name HA  ) (resi 24   and name HN  )  2.00  0.20  0.70
assi (resi 23   and name HB# ) (resi 24   and name HN  )  3.00  1.20  1.30   
assi (resi 23   and name HD# ) (resi 24   and name HN  )  4.00  2.20  3.00
assi (resi 23   and name HD# ) (resi 24   and name HB# )  4.00  2.20  4.00
assi (resi 24   and name HN  ) (resi 25   and name HN  )  3.00  1.20  0.30   
assi (resi 24   and name HA  ) (resi 25   and name HN  )  4.00  2.20  1.00
assi (resi 24   and name HB# ) (resi 25   and name HN  )  3.00  1.20  1.30   
assi (resi 25   and name HN  ) (resi 26   and name HN  )  3.00  1.20  0.30   
assi (resi 25   and name HA  ) (resi 26   and name HN  )  4.00  2.20  1.00
assi (resi 25   and name HB# ) (resi 26   and name HN  )  5.00  3.20  2.00
assi (resi 26   and name HN  ) (resi 27   and name HN  )  4.00  2.20  1.00
assi (resi 27   and name HA  ) (resi 28   and name HN  )  2.00  0.20  0.70
assi (resi 27   and name HA  ) (resi 28   and name HB2 )  4.00  2.20  1.00
assi (resi 27   and name HB2 ) (resi 28   and name HN  )  3.00  1.20  0.30   
assi (resi 27   and name HB1 ) (resi 28   and name HN  )  3.00  1.20  0.30   
assi (resi 27   and name HD# ) (resi 28   and name HN  )  3.00  1.20  2.30   
assi (resi 27   and name HE# ) (resi 28   and name HN  )  5.00  3.20  3.00
assi (resi 28   and name HN  ) (resi 29   and name HN  )  5.00  3.20  1.00
assi (resi 28   and name HA  ) (resi 29   and name HN  )  2.00  0.20  0.70
assi (resi 28   and name HB1 ) (resi 29   and name HN  )  4.00  2.20  1.00
assi (resi 28   and name HB1 ) (resi 29   and name HA  )  4.00  2.20  1.00
assi (resi 28   and name HB2 ) (resi 29   and name HN  )  4.00  2.20  1.00
assi (resi 29   and name HN  ) (resi 30   and name HN  )  5.00  3.20  1.00
assi (resi 29   and name HA  ) (resi 30   and name HN  )  2.00  0.20  0.70
assi (resi 29   and name HB# ) (resi 30   and name HN  )  2.00  0.20  1.50
assi (resi 30   and name HN  ) (resi 31   and name HN  )  4.00  2.20  1.00
assi (resi 30   and name HD1 ) (resi 31   and name HN  )  5.00  3.20  1.00
assi (resi 30   and name HE3 ) (resi 31   and name HN  )  3.00  1.20  0.30   
assi (resi 30   and name HB# ) (resi 31   and name HN  )  4.00  2.20  2.00
assi (resi 31   and name HN  ) (resi 32   and name HN  )  3.00  1.20  0.30   
assi (resi 31   and name HA  ) (resi 32   and name HN  )  2.00  0.20  0.70
assi (resi 31   and name HB# ) (resi 32   and name HN  )  3.00  1.20  1.30   
assi (resi 32   and name HN  ) (resi 33   and name HG2#)  5.00  3.20  1.80
assi (resi 32   and name HA  ) (resi 33   and name HN  )  2.00  0.20  0.70
assi (resi 32   and name HB# ) (resi 33   and name HN  )  4.00  2.20  2.00
assi (resi 32   and name HD# ) (resi 33   and name HN  )  4.00  2.20  3.00
assi (resi 32   and name HD# ) (resi 33   and name HA  )  5.00  3.20  3.00
assi (resi 32   and name HD# ) (resi 33   and name HG2#)  4.00  2.20  3.80
assi (resi 33   and name HA  ) (resi 34   and name HN  )  3.00  1.20  0.30   
assi (resi 33   and name HA  ) (resi 34   and name HD# )  5.00  3.20  3.00
assi (resi 33   and name HB  ) (resi 34   and name HN  )  3.00  1.20  0.30   
assi (resi 33   and name HG2#) (resi 34   and name HN  )  5.00  3.20  1.80
assi (resi 3    and name HB# ) (resi 7    and name HA# )  3.00  1.20  2.30   
assi (resi 3    and name HG# ) (resi 7    and name HN  )  4.00  2.20  2.00
assi (resi 3    and name HG# ) (resi 7    and name HA# )  2.00  0.20  2.70
assi (resi 4    and name HN  ) (resi 7    and name HN  )  4.00  2.20  1.00
assi (resi 4    and name HN  ) (resi 7    and name HA# )  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 HD# ) (resi 7    and name HN  )  5.00  3.20  3.40
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  )  2.00  0.20  1.70
assi (resi 10   and name HN  ) (resi 14   and name HB1 )  4.00  2.20  1.00
assi (resi 10   and name HN  ) (resi 14   and name HB2 )  4.00  2.20  1.00
assi (resi 11   and name HA  ) (resi 13   and name HN  )  4.00  2.20  1.00
assi (resi 11   and name HB  ) (resi 13   and name HN  )  4.00  2.20  1.00
assi (resi 11   and name HG2#) (resi 13   and name HN  )  3.00  1.20  1.10   
assi (resi 11   and name HG2#) (resi 13   and name HB# )  4.00  2.20  2.80
assi (resi 11   and name HN  ) (resi 14   and name HN  )  4.00  2.20  1.00
assi (resi 11   and name HN  ) (resi 14   and name HB1 )  3.00  1.20  0.30   
assi (resi 11   and name HN  ) (resi 14   and name HB2 )  3.00  1.20  0.30   
assi (resi 11   and name HG2#) (resi 14   and name HN  )  4.00  2.20  1.80
assi (resi 12   and name HN  ) (resi 14   and name HN  )  5.00  3.20  1.00
assi (resi 12   and name HA  ) (resi 14   and name HN  )  4.00  2.20  1.00
assi (resi 12   and name HG2#) (resi 14   and name HN  )  5.00  3.20  1.80
assi (resi 12   and name HA  ) (resi 15   and name HN  )  4.00  2.20  1.00
assi (resi 12   and name HA  ) (resi 15   and name HB2 )  4.00  2.20  1.00
assi (resi 12   and name HG2#) (resi 15   and name HN  )  4.00  2.20  1.80
assi (resi 15   and name HA  ) (resi 19   and name HB1 )  5.00  3.20  1.00
assi (resi 15   and name HA  ) (resi 19   and name HD# )  4.00  2.20  3.40
assi (resi 15   and name HB2 ) (resi 19   and name HB1 )  3.00  1.20  0.30   
assi (resi 15   and name HB2 ) (resi 19   and name HB2 )  3.00  1.20  0.30   
assi (resi 15   and name HB2 ) (resi 19   and name HD# )  4.00  2.20  3.40
assi (resi 15   and name HB1 ) (resi 19   and name HB1 )  2.00  0.20  0.70
assi (resi 15   and name HB1 ) (resi 19   and name HB2 )  2.00  0.20  0.70
assi (resi 15   and name HB1 ) (resi 19   and name HG  )  4.00  2.20  1.00
assi (resi 15   and name HB1 ) (resi 19   and name HD# )  3.00  1.20  2.70   
assi (resi 16   and name HN  ) (resi 19   and name HB1 )  5.00  3.20  1.00
assi (resi 16   and name HN  ) (resi 19   and name HB2 )  3.00  1.20  0.30   
assi (resi 16   and name HN  ) (resi 19   and name HD# )  3.00  1.20  2.70   
assi (resi 16   and name HB2 ) (resi 19   and name HD# )  2.00  0.20  3.10
assi (resi 16   and name HB1 ) (resi 19   and name HD# )  3.00  1.20  2.70   
assi (resi 17   and name HN  ) (resi 19   and name HD# )  5.00  3.20  3.40
assi (resi 17   and name HA  ) (resi 19   and name HD# )  5.00  3.20  3.40
assi (resi 22   and name HB# ) (resi 25   and name HN  )  5.00  3.20  2.00
assi (resi 22   and name HB# ) (resi 26   and name HN  )  5.00  3.20  2.00
assi (resi 24   and name HA  ) (resi 26   and name HN  )  4.00  2.20  1.00
assi (resi 25   and name HB# ) (resi 27   and name HD# )  3.00  1.20  3.30   
assi (resi 25   and name HB# ) (resi 27   and name HE# )  3.00  1.20  3.30   
assi (resi 27   and name HD# ) (resi 29   and name HN  )  5.00  3.20  3.00
assi (resi 27   and name HD# ) (resi 29   and name HA  )  4.00  2.20  3.00
assi (resi 27   and name HD# ) (resi 29   and name HB# )  3.00  1.20  3.10   
assi (resi 27   and name HE# ) (resi 29   and name HA  )  4.00  2.20  3.00
assi (resi 27   and name HE# ) (resi 29   and name HB# )  2.00  0.20  3.50
assi (resi 29   and name HB# ) (resi 31   and name HN  )  5.00  3.20  1.80
assi (resi 30   and name HB# ) (resi 32   and name HN  )  5.00  3.20  2.00
assi (resi 31   and name HA  ) (resi 33   and name HN  )  5.00  3.20  1.00
assi (resi 2    and name HA  ) (resi 15   and name HA  )  2.00  0.20  0.70
assi (resi 2    and name HB# ) (resi 15   and name HA  )  4.00  2.20  2.00
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  )  3.00  1.20  1.30   
assi (resi 2    and name HB# ) (resi 16   and name HA  )  2.00  0.20  1.70
assi (resi 2    and name HB# ) (resi 16   and name HB2 )  5.00  3.20  2.00
assi (resi 2    and name HB# ) (resi 16   and name HB1 )  4.00  2.20  2.00
assi (resi 2    and name HB# ) (resi 17   and name HN  )  4.00  2.20  2.00
assi (resi 3    and name HB# ) (resi 8    and name HN  )  5.00  3.20  2.00
assi (resi 3    and name HD# ) (resi 8    and name HN  )  4.00  2.20  2.00
assi (resi 3    and name HN  ) (resi 15   and name HA  )  2.00  0.20  0.70
assi (resi 3    and name HB# ) (resi 15   and name HA  )  2.00  0.20  0.70
assi (resi 3    and name HG# ) (resi 15   and name HA  )  4.00  2.20  2.00
assi (resi 3    and name HN  ) (resi 16   and name HN  )  3.00  1.20  0.30   
assi (resi 3    and name HA  ) (resi 16   and name HN  )  5.00  3.20  1.00
assi (resi 3    and name HB# ) (resi 16   and name HN  )  4.00  2.20  2.00
assi (resi 3    and name HB# ) (resi 28   and name HB2 )  4.00  2.20  2.00
assi (resi 4    and name HA  ) (resi 16   and name HN  )  4.00  2.20  1.00
assi (resi 4    and name HA  ) (resi 16   and name HB2 )  4.00  2.20  1.00
assi (resi 4    and name HD# ) (resi 16   and name HB2 )  4.00  2.20  3.00
assi (resi 4    and name HD# ) (resi 16   and name HB1 )  4.00  2.20  3.00
assi (resi 4    and name HE# ) (resi 16   and name HB2 )  5.00  3.20  3.00
assi (resi 4    and name HA  ) (resi 17   and name HN  )  4.00  2.20  1.00
assi (resi 4    and name HN  ) (resi 19   and name HD# )  5.00  3.20  3.40
assi (resi 4    and name HA  ) (resi 19   and name HD# )  2.00  0.20  3.10
assi (resi 4    and name HB# ) (resi 19   and name HD# )  4.00  2.20  4.40
assi (resi 4    and name HE# ) (resi 19   and name HD# )  5.00  3.20  5.40
assi (resi 5    and name HN  ) (resi 19   and name HD# )  4.00  2.20  3.40
assi (resi 5    and name HA  ) (resi 19   and name HD# )  3.00  1.20  2.70   
assi (resi 5    and name HB# ) (resi 19   and name HD# )  4.00  2.20  4.40
assi (resi 5    and name HD# ) (resi 19   and name HD# )  3.00  1.20  5.10   
assi (resi 5    and name HA  ) (resi 27   and name HD# )  5.00  3.20  3.00
assi (resi 5    and name HD# ) (resi 27   and name HD# )  4.00  2.20  5.40
assi (resi 5    and name HD# ) (resi 27   and name HE# )  5.00  3.20  5.40
assi (resi 5    and name HA  ) (resi 28   and name HB1 )  4.00  2.20  1.00
assi (resi 5    and name HA  ) (resi 29   and name HA  )  4.00  2.20  1.00
assi (resi 5    and name HD# ) (resi 29   and name HN  )  5.00  3.20  3.40
assi (resi 5    and name HD# ) (resi 29   and name HA  )  2.00  0.20  3.10
assi (resi 5    and name HD# ) (resi 29   and name HB# )  3.00  1.20  3.50   
assi (resi 5    and name HG  ) (resi 30   and name HN  )  4.00  2.20  1.00
assi (resi 5    and name HB# ) (resi 30   and name HE1 )  5.00  3.20  2.00
assi (resi 5    and name HB# ) (resi 30   and name HZ2 )  5.00  3.20  2.00
assi (resi 5    and name HD# ) (resi 30   and name HN  )  3.00  1.20  2.70   
assi (resi 5    and name HD# ) (resi 30   and name HA  )  5.00  3.20  3.40
assi (resi 5    and name HD# ) (resi 30   and name HD1 )  3.00  1.20  2.70   
assi (resi 5    and name HD# ) (resi 30   and name HE1 )  3.00  1.20  2.70   
assi (resi 5    and name HD# ) (resi 30   and name HE3 )  5.00  3.20  3.40
assi (resi 5    and name HD# ) (resi 30   and name HZ2 )  3.00  1.20  2.70   
assi (resi 5    and name HD# ) (resi 30   and name HZ3 )  5.00  3.20  3.40
assi (resi 5    and name HD# ) (resi 30   and name HH2 )  3.00  1.20  2.70   
assi (resi 5    and name HD# ) (resi 30   and name HB# )  4.00  2.20  4.40
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 HB2 )  4.00  2.20  1.00
assi (resi 6    and name HN  ) (resi 27   and name HB1 )  4.00  2.20  1.00
assi (resi 6    and name HN  ) (resi 27   and name HD# )  3.00  1.20  2.30   
assi (resi 6    and name HN  ) (resi 27   and name HE# )  5.00  3.20  3.00
assi (resi 6    and name HA  ) (resi 27   and name HB2 )  3.00  1.20  0.30   
assi (resi 6    and name HA  ) (resi 27   and name HB1 )  3.00  1.20  0.30   
assi (resi 6    and name HA  ) (resi 27   and name HD# )  2.00  0.20  2.70
assi (resi 6    and name HA  ) (resi 27   and name HE# )  4.00  2.20  3.00
assi (resi 6    and name HB# ) (resi 27   and name HD# )  4.00  2.20  4.00
assi (resi 6    and name HD# ) (resi 27   and name HB2 )  5.00  3.20  3.00
assi (resi 6    and name HD# ) (resi 27   and name HD# )  4.00  2.20  5.00
assi (resi 6    and name HE# ) (resi 27   and name HE# )  4.00  2.20  5.00
assi (resi 6    and name HN  ) (resi 28   and name HB1 )  5.00  3.20  1.00
assi (resi 6    and name HN  ) (resi 28   and name HB2 )  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 HN  ) (resi 29   and name HA  )  4.00  2.20  1.00
assi (resi 6    and name HA  ) (resi 29   and name HA  )  5.00  3.20  1.00
assi (resi 7    and name HN  ) (resi 27   and name HD# )  5.00  3.20  3.00
assi (resi 7    and name HN  ) (resi 28   and name HN  )  5.00  3.20  1.00
assi (resi 7    and name HN  ) (resi 28   and name HB1 )  4.00  2.20  1.00
assi (resi 7    and name HN  ) (resi 28   and name HB2 )  3.00  1.20  0.30   
assi (resi 8    and name HN  ) (resi 27   and name HA  )  5.00  3.20  1.00
assi (resi 8    and name HA# ) (resi 27   and name HA  )  4.00  2.20  2.00
assi (resi 8    and name HA# ) (resi 27   and name HB2 )  4.00  2.20  2.00
assi (resi 8    and name HA# ) (resi 27   and name HB1 )  4.00  2.20  2.00
assi (resi 8    and name HA# ) (resi 28   and name HN  )  4.00  2.20  2.00
assi (resi 9    and name HA  ) (resi 14   and name HN  )  5.00  3.20  1.00
assi (resi 9    and name HA  ) (resi 14   and name HB1 )  3.00  1.20  0.30   
assi (resi 9    and name HA  ) (resi 14   and name HB2 )  3.00  1.20  0.30   
assi (resi 9    and name HB# ) (resi 14   and name HN  )  4.00  2.20  2.00
assi (resi 9    and name HB# ) (resi 15   and name HN  )  4.00  2.20  2.00
assi (resi 9    and name HB# ) (resi 15   and name HA  )  5.00  3.20  2.00
assi (resi 9    and name HB# ) (resi 21   and name HN  )  4.00  2.20  2.00
assi (resi 9    and name HB# ) (resi 21   and name HB2 )  3.00  1.20  1.30   
assi (resi 9    and name HB# ) (resi 21   and name HB1 )  4.00  2.20  2.00
assi (resi 9    and name HN  ) (resi 26   and name HB# )  5.00  3.20  2.00
assi (resi 9    and name HN  ) (resi 27   and name HA  )  3.00  1.20  0.30   
assi (resi 9    and name HN  ) (resi 27   and name HB1 )  4.00  2.20  1.00
assi (resi 9    and name HB# ) (resi 27   and name HA  )  5.00  3.20  2.00
assi (resi 9    and name HN  ) (resi 28   and name HN  )  5.00  3.20  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 HB1 )  4.00  2.20  2.00
assi (resi 11   and name HA  ) (resi 21   and name HB2 )  4.00  2.20  1.00
assi (resi 11   and name HA  ) (resi 21   and name HB1 )  3.00  1.20  0.30   
assi (resi 12   and name HA  ) (resi 20   and name HA# )  5.00  3.20  2.00
assi (resi 12   and name HG2#) (resi 20   and name HA# )  3.00  1.20  2.10   
assi (resi 12   and name HN  ) (resi 21   and name HN  )  5.00  3.20  1.00
assi (resi 12   and name HN  ) (resi 21   and name HB2 )  4.00  2.20  1.00
assi (resi 12   and name HN  ) (resi 21   and name HB1 )  4.00  2.20  1.00
assi (resi 12   and name HA  ) (resi 21   and name HN  )  2.00  0.20  0.70
assi (resi 12   and name HA  ) (resi 21   and name HB2 )  2.00  0.20  0.70
assi (resi 12   and name HA  ) (resi 21   and name HB1 )  3.00  1.20  0.30   
assi (resi 12   and name HB  ) (resi 21   and name HN  )  4.00  2.20  1.00
assi (resi 12   and name HG2#) (resi 21   and name HN  )  2.00  0.20  1.50
assi (resi 12   and name HG2#) (resi 21   and name HB2 )  5.00  3.20  1.80
assi (resi 15   and name HB2 ) (resi 21   and name HN  )  4.00  2.20  1.00
assi (resi 15   and name HB1 ) (resi 21   and name HN  )  4.00  2.20  1.00
assi (resi 15   and name HA  ) (resi 28   and name HB1 )  5.00  3.20  1.00
assi (resi 15   and name HA  ) (resi 28   and name HB2 )  5.00  3.20  1.00
assi (resi 15   and name HB1 ) (resi 28   and name HA  )  4.00  2.20  1.00
assi (resi 15   and name HB1 ) (resi 28   and name HB1 )  3.00  1.20  0.30   
assi (resi 16   and name HN  ) (resi 28   and name HB1 )  4.00  2.20  1.00
assi (resi 17   and name HB# ) (resi 30   and name HZ3 )  4.00  2.20  2.00
assi (resi 18   and name HA  ) (resi 30   and name HE3 )  5.00  3.20  1.00
assi (resi 18   and name HB1 ) (resi 30   and name HE3 )  4.00  2.20  1.00
assi (resi 18   and name HB1 ) (resi 30   and name HZ3 )  3.00  1.20  0.30   
assi (resi 18   and name HB2 ) (resi 30   and name HE3 )  4.00  2.20  1.00
assi (resi 18   and name HB2 ) (resi 30   and name HZ3 )  3.00  1.20  0.30   
assi (resi 18   and name HA  ) (resi 31   and name HB# )  5.00  3.20  2.00
assi (resi 19   and name HB1 ) (resi 28   and name HB1 )  2.00  0.20  0.70
assi (resi 19   and name HB1 ) (resi 28   and name HB2 )  3.00  1.20  0.30   
assi (resi 19   and name HB2 ) (resi 28   and name HB1 )  3.00  1.20  0.30   
assi (resi 19   and name HB2 ) (resi 28   and name HB2 )  4.00  2.20  1.00
assi (resi 19   and name HD# ) (resi 28   and name HB1 )  3.00  1.20  2.70   
assi (resi 19   and name HD# ) (resi 28   and name HB2 )  3.00  1.20  2.70   
assi (resi 19   and name HB1 ) (resi 29   and name HN  )  4.00  2.20  1.00
assi (resi 19   and name HB1 ) (resi 29   and name HA  )  4.00  2.20  1.00
assi (resi 19   and name HB2 ) (resi 29   and name HN  )  5.00  3.20  1.00
assi (resi 19   and name HD# ) (resi 29   and name HN  )  4.00  2.20  3.40
assi (resi 19   and name HD# ) (resi 29   and name HA  )  3.00  1.20  2.70   
assi (resi 19   and name HD# ) (resi 29   and name HB# )  4.00  2.20  4.20
assi (resi 19   and name HA  ) (resi 30   and name HA  )  2.00  0.20  0.70
assi (resi 19   and name HA  ) (resi 30   and name HN  )  5.00  3.20  1.00
assi (resi 19   and name HA  ) (resi 30   and name HE3 )  4.00  2.20  1.00
assi (resi 19   and name HB1 ) (resi 30   and name HA  )  5.00  3.20  1.00
assi (resi 19   and name HG  ) (resi 30   and name HA  )  3.00  1.20  0.30   
assi (resi 19   and name HG  ) (resi 30   and name HE3 )  3.00  1.20  0.30   
assi (resi 19   and name HG  ) (resi 30   and name HZ3 )  3.00  1.20  0.30   
assi (resi 19   and name HD# ) (resi 30   and name HN  )  4.00  2.20  3.40
assi (resi 19   and name HD# ) (resi 30   and name HA  )  3.00  1.20  2.70   
assi (resi 19   and name HD# ) (resi 30   and name HD1 )  4.00  2.20  3.40
assi (resi 19   and name HD# ) (resi 30   and name HE1 )  5.00  3.20  3.40
assi (resi 19   and name HD# ) (resi 30   and name HE3 )  3.00  1.20  2.70   
assi (resi 19   and name HD# ) (resi 30   and name HZ2 )  5.00  3.20  3.40
assi (resi 19   and name HD# ) (resi 30   and name HZ3 )  4.00  2.20  3.40
assi (resi 19   and name HD# ) (resi 30   and name HH2 )  4.00  2.20  3.40
assi (resi 19   and name HD# ) (resi 30   and name HB# )  4.00  2.20  4.40
assi (resi 19   and name HA  ) (resi 31   and name HN  )  3.00  1.20  0.30   
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  )  5.00  3.20  1.00
assi (resi 19   and name HD# ) (resi 31   and name HN  )  4.00  2.20  3.40
assi (resi 20   and name HN  ) (resi 29   and name HN  )  3.00  1.20  0.30   
assi (resi 20   and name HN  ) (resi 29   and name HB# )  4.00  2.20  1.80
assi (resi 20   and name HA# ) (resi 29   and name HN  )  5.00  3.20  2.00
assi (resi 20   and name HN  ) (resi 30   and name HA  )  4.00  2.20  1.00
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 HA# ) (resi 31   and name HB# )  4.00  2.20  3.00
assi (resi 20   and name HN  ) (resi 32   and name HB# )  5.00  3.20  2.00
assi (resi 21   and name HA  ) (resi 28   and name HA  )  2.00  0.20  0.70
assi (resi 21   and name HA  ) (resi 28   and name HN  )  5.00  3.20  1.00
assi (resi 21   and name HA  ) (resi 28   and name HB1 )  4.00  2.20  1.00
assi (resi 21   and name HA  ) (resi 29   and name HN  )  4.00  2.20  1.00
assi (resi 22   and name HN  ) (resi 27   and name HN  )  4.00  2.20  1.00
assi (resi 22   and name HB# ) (resi 27   and name HD# )  5.00  3.20  4.00
assi (resi 22   and name HB# ) (resi 27   and name HE# )  4.00  2.20  4.00
assi (resi 22   and name HG# ) (resi 27   and name HD# )  5.00  3.20  4.00
assi (resi 22   and name HG# ) (resi 27   and name HE# )  4.00  2.20  4.00
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
!! HYDROGEN BOND
assign (resid  20 and name   o  )   (resid  29 and name    n ) 2.70 0.00 0.50
assign (resid  20 and name   o  )   (resid  29 and name   hn ) 2.00 0.30 0.20
assign (resid  26 and name   o  )   (resid   9 and name    n ) 2.70 0.00 0.50
assign (resid  26 and name   o  )   (resid   9 and name   hn ) 2.00 0.30 0.20
assign (resid  28 and name   o  )   (resid   6 and name    n ) 2.70 0.00 0.50
assign (resid  28 and name   o  )   (resid   6 and name   hn ) 2.00 0.30 0.20
assign (resid  29 and name   o  )   (resid  20 and name    n ) 2.70 0.00 0.50
assign (resid  29 and name   o  )   (resid  20 and name   hn ) 2.00 0.30 0.20
!! SSBOND
assign (resid  2 and name sg) (resid 16 and name sg) 2.02 0.10 0.10
assign (resid  9 and name sg) (resid 21 and name sg) 2.02 0.10 0.10
assign (resid 15 and name sg) (resid 28 and name sg) 2.02 0.10 0.10
!! DIHEDRAL
assign (resid 11 and name c) (resid 12 and name n)
       (resid 12 and name ca) (resid 12 and name c)  1  -65.0 25.0 2
assign (resid 12 and name c) (resid 13 and name n)
       (resid 13 and name ca) (resid 13 and name c)  1  -65.0 25.0 2
assign (resid 15 and name c) (resid 16 and name n) 
       (resid 16 and name ca) (resid 16 and name c)  1  -65.0 25.0 2
assign (resid 16 and name c) (resid 17 and name n)
       (resid 17 and name ca) (resid 17 and name c)  1  -65.0 25.0 2
assign (resid  8 and name c) (resid 9 and name n)
       (resid  9 and name ca) (resid 9 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 10 and name c) (resid 11 and name n)
       (resid 11 and name ca) (resid 11 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 21 and name c) (resid 22 and name n)
       (resid 22 and name ca) (resid 22 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 14 and name n) (resid 14 and name ca)
       (resid 14 and name cb) (resid 14 and name cg)  1  -60.0 30.0 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 30.0 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 30.0 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 30.0 2
assign (resid 19 and name n) (resid 19 and name ca)
       (resid 19 and name cb) (resid 19 and name cg)  1  -60.0 30.0 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 30.0 2
assign (resid 27 and name n) (resid 27 and name ca)
       (resid 27 and name cb) (resid 27 and name cg)  1   60.0 30.0 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 30.0 2
                                                

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   GLU   1           HA       GLU   1  -9.691   2.066  -6.350
    2   1HB   GLU   1          2HB       GLU   1 -10.085  -0.451  -4.727
    3   2HB   GLU   1          1HB       GLU   1 -10.994   1.048  -4.605
    4   1HG   GLU   1          2HG       GLU   1 -11.722   0.633  -6.995
    5   2HG   GLU   1          1HG       GLU   1 -11.060  -0.989  -6.806
    6   1HT   GLU   1          1HT       GLU   1  -9.505   0.251  -7.781
    7   2HT   GLU   1          2HT       GLU   1  -8.560  -0.632  -6.652
    8   3HT   GLU   1          3HT       GLU   1  -7.920   0.777  -7.396
    9    H    CYS   2           H        CYS   2  -8.586   3.414  -5.098
   10    HA   CYS   2           HA       CYS   2  -6.083   2.872  -4.044
   11   1HB   CYS   2          2HB       CYS   2  -6.157   5.106  -3.959
   12   2HB   CYS   2          1HB       CYS   2  -7.896   5.094  -4.127
   13    H    ARG   3           H        ARG   3  -5.875   1.182  -2.828
   14    HA   ARG   3           HA       ARG   3  -7.543   0.679  -0.557
   15   1HB   ARG   3          2HB       ARG   3  -5.360  -0.724  -1.988
   16   2HB   ARG   3          1HB       ARG   3  -5.482  -1.055  -0.267
   17   1HG   ARG   3          2HG       ARG   3  -7.054  -2.082  -2.439
   18   2HG   ARG   3          1HG       ARG   3  -7.006  -2.595  -0.754
   19   1HD   ARG   3          2HD       ARG   3  -8.649  -0.941  -0.151
   20   2HD   ARG   3          1HD       ARG   3  -8.600  -0.248  -1.771
   21    HE   ARG   3           HE       ARG   3  -9.432  -3.040  -1.482
   22   1HH1  ARG   3          1HH1      ARG   3 -10.302   0.283  -2.127
   23   2HH1  ARG   3          2HH1      ARG   3 -11.829  -0.128  -2.827
   24   1HH2  ARG   3          1HH2      ARG   3 -11.439  -3.573  -2.399
   25   2HH2  ARG   3          2HH2      ARG   3 -12.476  -2.313  -2.981
   26    H    TYR   4           H        TYR   4  -7.351   2.253   0.820
   27    HA   TYR   4           HA       TYR   4  -5.105   3.689   1.555
   28   1HB   TYR   4          2HB       TYR   4  -7.640   3.901   2.250
   29   2HB   TYR   4          1HB       TYR   4  -7.139   2.942   3.638
   30    HD1  TYR   4           1HD      TYR   4  -5.464   5.732   1.797
   31    HD2  TYR   4           2HD      TYR   4  -7.050   4.322   5.484
   32    HE1  TYR   4           1HE      TYR   4  -4.663   7.771   2.915
   33    HE2  TYR   4           2HE      TYR   4  -6.258   6.357   6.610
   34    HH   TYR   4           HH       TYR   4  -4.423   8.084   6.214
   35    H    LEU   5           H        LEU   5  -4.659   3.419   4.265
   36    HA   LEU   5           HA       LEU   5  -2.746   1.383   4.397
   37   1HB   LEU   5          2HB       LEU   5  -2.892   3.486   5.811
   38   2HB   LEU   5          1HB       LEU   5  -4.080   2.638   6.785
   39    HG   LEU   5           HG       LEU   5  -2.224   0.825   7.019
   40   1HD1  LEU   5          1HD1      LEU   5  -0.009   2.356   7.139
   41   2HD1  LEU   5          2HD1      LEU   5  -0.810   3.066   5.738
   42   3HD1  LEU   5          3HD1      LEU   5  -0.432   1.343   5.758
   43   1HD2  LEU   5          1HD2      LEU   5  -2.541   3.425   8.416
   44   2HD2  LEU   5          2HD2      LEU   5  -1.150   2.425   8.832
   45   3HD2  LEU   5          3HD2      LEU   5  -2.783   1.782   9.009
   46    H    PHE   6           H        PHE   6  -3.049  -0.732   4.467
   47    HA   PHE   6           HA       PHE   6  -3.725  -2.753   5.356
   48   1HB   PHE   6          2HB       PHE   6  -4.415  -1.403   7.418
   49   2HB   PHE   6          1HB       PHE   6  -6.028  -1.357   6.713
   50    HD1  PHE   6           1HD      PHE   6  -7.516  -3.084   7.110
   51    HD2  PHE   6           2HD      PHE   6  -3.358  -3.730   7.750
   52    HE1  PHE   6           1HE      PHE   6  -8.012  -5.284   8.094
   53    HE2  PHE   6           2HE      PHE   6  -3.847  -5.931   8.733
   54    HZ   PHE   6           HZ       PHE   6  -6.177  -6.712   8.905
   55    H    GLY   7           H        GLY   7  -4.612  -1.400   2.893
   56   1HA   GLY   7          2HA       GLY   7  -7.277  -2.596   2.531
   57   2HA   GLY   7          1HA       GLY   7  -6.557  -1.378   1.489
   58    H    GLY   8           H        GLY   8  -7.518  -4.435   1.445
   59   1HA   GLY   8          2HA       GLY   8  -5.435  -6.021   0.540
   60   2HA   GLY   8          1HA       GLY   8  -7.105  -6.189   0.018
   61    H    CYS   9           H        CYS   9  -4.022  -5.698  -1.038
   62    HA   CYS   9           HA       CYS   9  -4.986  -4.437  -3.522
   63   1HB   CYS   9          2HB       CYS   9  -2.611  -3.568  -3.763
   64   2HB   CYS   9          1HB       CYS   9  -3.593  -2.815  -2.512
   65    H    LYS  10           H        LYS  10  -4.495  -5.411  -5.407
   66    HA   LYS  10           HA       LYS  10  -3.337  -8.049  -5.308
   67   1HB   LYS  10          2HB       LYS  10  -4.193  -6.498  -7.752
   68   2HB   LYS  10          1HB       LYS  10  -3.971  -8.236  -7.624
   69   1HG   LYS  10          2HG       LYS  10  -6.075  -6.640  -6.180
   70   2HG   LYS  10          1HG       LYS  10  -6.332  -7.598  -7.639
   71   1HD   LYS  10          2HD       LYS  10  -5.570  -9.606  -6.384
   72   2HD   LYS  10          1HD       LYS  10  -5.488  -8.613  -4.927
   73   1HE   LYS  10          2HE       LYS  10  -8.026  -8.171  -6.064
   74   2HE   LYS  10          1HE       LYS  10  -7.751  -9.913  -6.109
   75   1HZ   LYS  10          1HZ       LYS  10  -7.959 -10.062  -3.910
   76   2HZ   LYS  10          2HZ       LYS  10  -8.628  -8.510  -3.962
   77   3HZ   LYS  10          3HZ       LYS  10  -6.984  -8.709  -3.618
   78    H    THR  11           H        THR  11  -2.298  -4.883  -5.910
   79    HA   THR  11           HA       THR  11   0.417  -5.725  -6.290
   80    HB   THR  11           HB       THR  11   0.541  -5.588  -8.514
   81    HG1  THR  11           1HG      THR  11   1.134  -3.607  -8.801
   82   1HG2  THR  11          1HG2      THR  11  -1.522  -4.590  -9.806
   83   2HG2  THR  11          2HG2      THR  11  -2.328  -4.899  -8.268
   84   3HG2  THR  11          3HG2      THR  11  -1.548  -6.221  -9.137
   85    H    THR  12           H        THR  12   1.677  -3.530  -6.977
   86    HA   THR  12           HA       THR  12   1.274  -1.788  -4.747
   87    HB   THR  12           HB       THR  12   3.166  -1.822  -7.077
   88    HG1  THR  12           1HG      THR  12   3.425  -3.055  -5.037
   89   1HG2  THR  12          1HG2      THR  12   2.816   0.405  -5.099
   90   2HG2  THR  12          2HG2      THR  12   2.825   0.498  -6.861
   91   3HG2  THR  12          3HG2      THR  12   4.313   0.123  -5.989
   92    H    SER  13           H        SER  13   0.374  -1.781  -8.093
   93    HA   SER  13           HA       SER  13  -0.390   0.987  -8.111
   94   1HB   SER  13          2HB       SER  13  -0.602   0.774 -10.376
   95   2HB   SER  13          1HB       SER  13   0.417  -0.636 -10.088
   96    HG   SER  13           HG       SER  13  -1.332  -1.945 -10.248
   97    H    ASP  14           H        ASP  14  -1.673  -1.296  -6.423
   98    HA   ASP  14           HA       ASP  14  -4.461  -0.774  -7.200
   99   1HB   ASP  14          2HB       ASP  14  -3.136  -3.094  -5.828
  100   2HB   ASP  14          1HB       ASP  14  -4.861  -2.804  -5.621
  101    H    CYS  15           H        CYS  15  -2.273   0.488  -5.200
  102    HA   CYS  15           HA       CYS  15  -4.206   0.836  -3.008
  103   1HB   CYS  15          2HB       CYS  15  -1.215   1.193  -2.807
  104   2HB   CYS  15          1HB       CYS  15  -2.380   1.225  -1.491
  105    H    CYS  16           H        CYS  16  -3.939   2.888  -1.810
  106    HA   CYS  16           HA       CYS  16  -4.503   5.063  -3.403
  107   1HB   CYS  16          2HB       CYS  16  -3.478   5.130  -0.577
  108   2HB   CYS  16          1HB       CYS  16  -4.429   6.376  -1.385
  109    H    LYS  17           H        LYS  17  -2.808   6.978  -1.899
  110    HA   LYS  17           HA       LYS  17  -0.715   7.072  -3.912
  111   1HB   LYS  17          2HB       LYS  17  -1.706   9.099  -1.911
  112   2HB   LYS  17          1HB       LYS  17  -0.342   9.386  -2.983
  113   1HG   LYS  17          2HG       LYS  17  -1.719  10.022  -4.592
  114   2HG   LYS  17          1HG       LYS  17  -2.526   8.454  -4.546
  115   1HD   LYS  17          2HD       LYS  17  -4.329   9.669  -3.955
  116   2HD   LYS  17          1HD       LYS  17  -3.590   9.641  -2.353
  117   1HE   LYS  17          2HE       LYS  17  -2.512  11.781  -2.805
  118   2HE   LYS  17          1HE       LYS  17  -3.212  11.803  -4.422
  119   1HZ   LYS  17          1HZ       LYS  17  -4.724  11.871  -1.865
  120   2HZ   LYS  17          2HZ       LYS  17  -5.419  11.839  -3.406
  121   3HZ   LYS  17          3HZ       LYS  17  -4.496  13.171  -2.924
  122    H    HIS  18           H        HIS  18  -0.695   8.010  -0.500
  123    HA   HIS  18           HA       HIS  18   2.041   7.719  -0.198
  124   1HB   HIS  18          2HB       HIS  18  -0.233   7.894   1.726
  125   2HB   HIS  18          1HB       HIS  18   1.395   7.590   2.322
  126    HD1  HIS  18           1HD      HIS  18   3.206   9.490   1.653
  127    HD2  HIS  18           2HD      HIS  18  -0.802  10.519   1.268
  128    HE1  HIS  18           1HE      HIS  18   3.166  12.003   1.541
  129    HE2  HIS  18           2HE      HIS  18   0.734  12.602   1.266
  130    H    LEU  19           H        LEU  19  -0.276   5.326  -0.455
  131    HA   LEU  19           HA       LEU  19   1.205   3.409   1.166
  132   1HB   LEU  19          2HB       LEU  19  -1.444   3.322  -0.234
  133   2HB   LEU  19          1HB       LEU  19  -0.693   1.871   0.400
  134    HG   LEU  19           HG       LEU  19  -0.816   4.051   2.345
  135   1HD1  LEU  19          1HD1      LEU  19  -3.217   3.812   2.764
  136   2HD1  LEU  19          2HD1      LEU  19  -3.370   2.846   1.297
  137   3HD1  LEU  19          3HD1      LEU  19  -2.889   4.540   1.192
  138   1HD2  LEU  19          1HD2      LEU  19  -2.024   1.336   2.625
  139   2HD2  LEU  19          2HD2      LEU  19  -1.208   2.332   3.830
  140   3HD2  LEU  19          3HD2      LEU  19  -0.271   1.519   2.576
  141    H    GLY  20           H        GLY  20   1.798   1.356   0.395
  142   1HA   GLY  20          2HA       GLY  20   2.126   1.036  -2.497
  143   2HA   GLY  20          1HA       GLY  20   3.574   1.021  -1.495
  144    H    CYS  21           H        CYS  21   1.725  -1.019  -3.093
  145    HA   CYS  21           HA       CYS  21   1.103  -2.949  -1.089
  146   1HB   CYS  21          2HB       CYS  21   0.013  -2.591  -3.425
  147   2HB   CYS  21          1HB       CYS  21   1.314  -3.630  -3.994
  148    H    LYS  22           H        LYS  22   2.419  -4.370  -0.185
  149    HA   LYS  22           HA       LYS  22   5.007  -4.901  -1.472
  150   1HB   LYS  22          2HB       LYS  22   4.122  -5.004   1.405
  151   2HB   LYS  22          1HB       LYS  22   5.632  -5.722   0.864
  152   1HG   LYS  22          2HG       LYS  22   4.857  -2.821   0.669
  153   2HG   LYS  22          1HG       LYS  22   6.037  -3.529   1.775
  154   1HD   LYS  22          2HD       LYS  22   6.885  -4.389  -0.706
  155   2HD   LYS  22          1HD       LYS  22   6.325  -2.743  -1.014
  156   1HE   LYS  22          2HE       LYS  22   8.475  -3.685   0.854
  157   2HE   LYS  22          1HE       LYS  22   8.581  -2.494  -0.442
  158   1HZ   LYS  22          1HZ       LYS  22   8.346  -1.001   1.176
  159   2HZ   LYS  22          2HZ       LYS  22   7.810  -2.146   2.300
  160   3HZ   LYS  22          3HZ       LYS  22   6.714  -1.445   1.219
  161    H    PHE  23           H        PHE  23   5.177  -6.782  -2.477
  162    HA   PHE  23           HA       PHE  23   3.316  -8.827  -2.420
  163   1HB   PHE  23          2HB       PHE  23   4.829 -10.094  -3.735
  164   2HB   PHE  23          1HB       PHE  23   5.109  -8.411  -4.160
  165    HD1  PHE  23           1HD      PHE  23   6.801 -11.237  -3.990
  166    HD2  PHE  23           2HD      PHE  23   6.854  -7.435  -2.079
  167    HE1  PHE  23           1HE      PHE  23   9.192 -11.525  -3.487
  168    HE2  PHE  23           2HE      PHE  23   9.244  -7.715  -1.576
  169    HZ   PHE  23           HZ       PHE  23  10.418  -9.762  -2.281
  170    H    ARG  24           H        ARG  24   2.907  -9.110  -0.146
  171    HA   ARG  24           HA       ARG  24   4.061 -11.425   0.914
  172   1HB   ARG  24          2HB       ARG  24   4.856  -9.775   3.019
  173   2HB   ARG  24          1HB       ARG  24   5.903 -10.674   1.930
  174   1HG   ARG  24          2HG       ARG  24   6.451  -8.828   0.706
  175   2HG   ARG  24          1HG       ARG  24   4.926  -8.010   1.052
  176   1HD   ARG  24          2HD       ARG  24   5.847  -6.911   2.748
  177   2HD   ARG  24          1HD       ARG  24   6.379  -8.421   3.487
  178    HE   ARG  24           HE       ARG  24   8.196  -7.965   1.509
  179   1HH1  ARG  24          1HH1      ARG  24   7.025  -6.136   4.232
  180   2HH1  ARG  24          2HH1      ARG  24   8.510  -5.271   4.453
  181   1HH2  ARG  24          1HH2      ARG  24  10.154  -6.832   1.790
  182   2HH2  ARG  24          2HH2      ARG  24  10.287  -5.665   3.064
  183    H    ASP  25           H        ASP  25   3.058  -8.394   2.501
  184    HA   ASP  25           HA       ASP  25   1.251  -9.734   4.242
  185   1HB   ASP  25          2HB       ASP  25   1.612  -6.808   3.585
  186   2HB   ASP  25          1HB       ASP  25   0.522  -7.402   4.833
  187    H    LYS  26           H        LYS  26   0.953  -8.167   1.144
  188    HA   LYS  26           HA       LYS  26  -0.713  -8.486  -0.422
  189   1HB   LYS  26          2HB       LYS  26  -1.453 -10.396   1.283
  190   2HB   LYS  26          1HB       LYS  26  -2.764  -9.266   1.586
  191   1HG   LYS  26          2HG       LYS  26  -3.543 -10.739  -0.072
  192   2HG   LYS  26          1HG       LYS  26  -3.147  -9.235  -0.910
  193   1HD   LYS  26          2HD       LYS  26  -1.864 -10.426  -2.286
  194   2HD   LYS  26          1HD       LYS  26  -0.789 -10.737  -0.920
  195   1HE   LYS  26          2HE       LYS  26  -3.091 -12.431  -1.869
  196   2HE   LYS  26          1HE       LYS  26  -1.376 -12.839  -1.899
  197   1HZ   LYS  26          1HZ       LYS  26  -2.423 -13.945  -0.069
  198   2HZ   LYS  26          2HZ       LYS  26  -3.074 -12.498   0.513
  199   3HZ   LYS  26          3HZ       LYS  26  -1.402 -12.747   0.550
  200    H    TYR  27           H        TYR  27  -0.981  -6.741   2.522
  201    HA   TYR  27           HA       TYR  27  -3.203  -5.127   1.550
  202   1HB   TYR  27          2HB       TYR  27  -3.112  -3.986   3.697
  203   2HB   TYR  27          1HB       TYR  27  -3.160  -5.719   3.929
  204    HD1  TYR  27           1HD      TYR  27  -2.434  -4.484   6.250
  205    HD2  TYR  27           2HD      TYR  27   0.071  -5.122   2.868
  206    HE1  TYR  27           1HE      TYR  27  -0.451  -4.324   7.693
  207    HE2  TYR  27           2HE      TYR  27   2.057  -4.961   4.305
  208    HH   TYR  27           HH       TYR  27   2.570  -3.796   6.623
  209    H    CYS  28           H        CYS  28  -2.586  -2.665   2.544
  210    HA   CYS  28           HA       CYS  28  -0.334  -1.857   0.826
  211   1HB   CYS  28          2HB       CYS  28  -2.769  -0.212   1.530
  212   2HB   CYS  28          1HB       CYS  28  -1.501   0.213   0.386
  213    H    ALA  29           H        ALA  29   1.351  -1.048   1.849
  214    HA   ALA  29           HA       ALA  29   0.924   0.223   4.475
  215   1HB   ALA  29          1HB       ALA  29   2.211  -2.008   4.340
  216   2HB   ALA  29          2HB       ALA  29   2.901  -0.691   5.289
  217   3HB   ALA  29          3HB       ALA  29   3.522  -1.035   3.674
  218    H    TRP  30           H        TRP  30   2.021   2.121   4.931
  219    HA   TRP  30           HA       TRP  30   2.338   4.008   3.022
  220   1HB   TRP  30          2HB       TRP  30   3.928   3.735   5.579
  221   2HB   TRP  30          1HB       TRP  30   3.896   5.191   4.589
  222    HD1  TRP  30           HD       TRP  30   2.608   4.387   7.681
  223    HE1  TRP  30           1HE      TRP  30   0.266   5.344   8.149
  224    HE3  TRP  30           3HE      TRP  30   1.174   5.425   2.880
  225    HZ2  TRP  30           2HZ      TRP  30  -1.902   6.396   6.680
  226    HZ3  TRP  30           3HZ      TRP  30  -1.048   6.402   2.501
  227    HH2  TRP  30           HH       TRP  30  -2.555   6.879   4.361
  228    H    ASP  31           H        ASP  31   4.062   4.933   1.873
  229    HA   ASP  31           HA       ASP  31   6.687   4.110   1.793
  230   1HB   ASP  31          2HB       ASP  31   5.030   2.076   0.806
  231   2HB   ASP  31          1HB       ASP  31   5.733   2.832  -0.621
  232    H    PHE  32           H        PHE  32   6.945   6.292   1.363
  233    HA   PHE  32           HA       PHE  32   7.208   7.086  -1.274
  234   1HB   PHE  32          2HB       PHE  32   4.696   7.019  -1.203
  235   2HB   PHE  32          1HB       PHE  32   4.753   8.302   0.001
  236    HD1  PHE  32           1HD      PHE  32   4.083  10.301  -0.891
  237    HD2  PHE  32           2HD      PHE  32   6.510   7.714  -3.242
  238    HE1  PHE  32           1HE      PHE  32   4.129  11.982  -2.687
  239    HE2  PHE  32           2HE      PHE  32   6.561   9.391  -5.041
  240    HZ   PHE  32           HZ       PHE  32   5.370  11.528  -4.765
  241    H    THR  33           H        THR  33   9.082   8.015  -0.653
  242    HA   THR  33           HA       THR  33  10.324   9.890  -0.116
  243    HB   THR  33           HB       THR  33   8.275  10.932   1.785
  244    HG1  THR  33           1HG      THR  33   8.018  10.923  -1.032
  245   1HG2  THR  33          1HG2      THR  33   9.161  12.855  -0.073
  246   2HG2  THR  33          2HG2      THR  33  10.574  11.947   0.471
  247   3HG2  THR  33          3HG2      THR  33   9.526  12.739   1.649
  248    H    PHE  34           H        PHE  34  11.054  10.953   2.136
  249    HA   PHE  34           HA       PHE  34  11.597   8.658   3.863
  250   1HB   PHE  34          2HB       PHE  34  13.077  10.994   3.030
  251   2HB   PHE  34          1HB       PHE  34  13.037  10.889   4.786
  252    HD1  PHE  34           1HD      PHE  34  15.009  10.155   2.141
  253    HD2  PHE  34           2HD      PHE  34  13.281   8.213   5.510
  254    HE1  PHE  34           1HE      PHE  34  16.798   8.465   2.079
  255    HE2  PHE  34           2HE      PHE  34  15.067   6.522   5.456
  256    HZ   PHE  34           HZ       PHE  34  16.829   6.646   3.738
  257    H    SER  35           H        SER  35   9.773   8.469   5.125
  258    HA   SER  35           HA       SER  35   9.590  10.222   7.365
  259   1HB   SER  35          2HB       SER  35   8.340  11.611   5.804
  260   2HB   SER  35          1HB       SER  35   7.306  10.249   5.376
  261    HG   SER  35           HG       SER  35   7.490  11.538   7.897
  Start of MODEL    2
    1    HA   GLU   1           HA       GLU   1 -10.768   1.652  -4.987
    2   1HB   GLU   1          2HB       GLU   1  -9.434   3.455  -6.511
    3   2HB   GLU   1          1HB       GLU   1 -10.788   2.493  -7.089
    4   1HG   GLU   1          2HG       GLU   1 -11.217   4.704  -7.760
    5   2HG   GLU   1          1HG       GLU   1 -12.286   4.393  -6.393
    6   1HT   GLU   1          1HT       GLU   1 -12.214   2.815  -3.552
    7   2HT   GLU   1          2HT       GLU   1 -12.750   2.988  -5.173
    8   3HT   GLU   1          3HT       GLU   1 -11.942   4.284  -4.391
    9    H    CYS   2           H        CYS   2  -8.241   2.310  -5.270
   10    HA   CYS   2           HA       CYS   2  -6.307   2.763  -4.163
   11   1HB   CYS   2          2HB       CYS   2  -6.088   4.981  -3.955
   12   2HB   CYS   2          1HB       CYS   2  -7.813   5.143  -4.168
   13    H    ARG   3           H        ARG   3  -6.049   1.065  -2.959
   14    HA   ARG   3           HA       ARG   3  -7.477   0.588  -0.554
   15   1HB   ARG   3          2HB       ARG   3  -5.206  -0.717  -1.986
   16   2HB   ARG   3          1HB       ARG   3  -5.471  -1.116  -0.294
   17   1HG   ARG   3          2HG       ARG   3  -7.014  -1.866  -2.676
   18   2HG   ARG   3          1HG       ARG   3  -6.780  -2.724  -1.153
   19   1HD   ARG   3          2HD       ARG   3  -8.389  -1.206  -0.072
   20   2HD   ARG   3          1HD       ARG   3  -8.637  -0.390  -1.616
   21    HE   ARG   3           HE       ARG   3  -9.132  -3.151  -1.917
   22   1HH1  ARG   3          1HH1      ARG   3 -10.501  -0.299  -0.462
   23   2HH1  ARG   3          2HH1      ARG   3 -12.134  -0.865  -0.581
   24   1HH2  ARG   3          1HH2      ARG   3 -11.279  -3.908  -2.079
   25   2HH2  ARG   3          2HH2      ARG   3 -12.577  -2.918  -1.499
   26    H    TYR   4           H        TYR   4  -7.285   2.094   0.860
   27    HA   TYR   4           HA       TYR   4  -4.933   3.523   1.466
   28   1HB   TYR   4          2HB       TYR   4  -6.685   4.745   2.229
   29   2HB   TYR   4          1HB       TYR   4  -7.687   3.326   2.501
   30    HD1  TYR   4           1HD      TYR   4  -5.920   5.955   4.038
   31    HD2  TYR   4           2HD      TYR   4  -7.051   1.894   4.608
   32    HE1  TYR   4           1HE      TYR   4  -5.589   6.209   6.460
   33    HE2  TYR   4           2HE      TYR   4  -6.723   2.137   7.033
   34    HH   TYR   4           HH       TYR   4  -5.012   4.282   8.453
   35    H    LEU   5           H        LEU   5  -4.221   3.504   3.971
   36    HA   LEU   5           HA       LEU   5  -2.641   1.368   4.471
   37   1HB   LEU   5          2HB       LEU   5  -3.594   3.590   5.970
   38   2HB   LEU   5          1HB       LEU   5  -3.649   2.176   7.006
   39    HG   LEU   5           HG       LEU   5  -1.232   3.300   5.594
   40   1HD1  LEU   5          1HD1      LEU   5  -0.442   3.301   8.046
   41   2HD1  LEU   5          2HD1      LEU   5  -2.158   3.180   8.438
   42   3HD1  LEU   5          3HD1      LEU   5  -1.559   4.559   7.515
   43   1HD2  LEU   5          1HD2      LEU   5  -0.993   1.025   7.474
   44   2HD2  LEU   5          2HD2      LEU   5  -0.019   1.438   6.063
   45   3HD2  LEU   5          3HD2      LEU   5  -1.594   0.672   5.854
   46    H    PHE   6           H        PHE   6  -3.099  -0.712   4.471
   47    HA   PHE   6           HA       PHE   6  -3.870  -2.686   5.375
   48   1HB   PHE   6          2HB       PHE   6  -6.100  -1.176   6.725
   49   2HB   PHE   6          1HB       PHE   6  -5.443  -2.754   7.145
   50    HD1  PHE   6           1HD      PHE   6  -5.805  -0.002   8.728
   51    HD2  PHE   6           2HD      PHE   6  -2.524  -2.093   7.003
   52    HE1  PHE   6           1HE      PHE   6  -4.283   1.067  10.338
   53    HE2  PHE   6           2HE      PHE   6  -0.996  -1.028   8.612
   54    HZ   PHE   6           HZ       PHE   6  -1.875   0.553  10.283
   55    H    GLY   7           H        GLY   7  -4.552  -1.643   2.838
   56   1HA   GLY   7          2HA       GLY   7  -7.320  -2.625   2.517
   57   2HA   GLY   7          1HA       GLY   7  -6.558  -1.460   1.446
   58    H    GLY   8           H        GLY   8  -7.686  -4.410   1.358
   59   1HA   GLY   8          2HA       GLY   8  -5.672  -6.147   0.551
   60   2HA   GLY   8          1HA       GLY   8  -7.335  -6.219  -0.015
   61    H    CYS   9           H        CYS   9  -4.164  -5.838  -0.952
   62    HA   CYS   9           HA       CYS   9  -5.012  -4.758  -3.555
   63   1HB   CYS   9          2HB       CYS   9  -2.908  -3.520  -3.726
   64   2HB   CYS   9          1HB       CYS   9  -3.836  -2.995  -2.325
   65    H    LYS  10           H        LYS  10  -4.116  -5.667  -5.346
   66    HA   LYS  10           HA       LYS  10  -2.564  -8.113  -4.919
   67   1HB   LYS  10          2HB       LYS  10  -4.161  -7.100  -7.268
   68   2HB   LYS  10          1HB       LYS  10  -3.130  -8.521  -7.357
   69   1HG   LYS  10          2HG       LYS  10  -4.776  -8.864  -5.101
   70   2HG   LYS  10          1HG       LYS  10  -5.814  -8.294  -6.410
   71   1HD   LYS  10          2HD       LYS  10  -5.872 -10.457  -7.015
   72   2HD   LYS  10          1HD       LYS  10  -4.279 -10.131  -7.701
   73   1HE   LYS  10          2HE       LYS  10  -3.168 -11.142  -5.941
   74   2HE   LYS  10          1HE       LYS  10  -4.526 -10.939  -4.835
   75   1HZ   LYS  10          1HZ       LYS  10  -5.363 -12.555  -6.956
   76   2HZ   LYS  10          2HZ       LYS  10  -5.177 -12.980  -5.329
   77   3HZ   LYS  10          3HZ       LYS  10  -3.884 -13.165  -6.405
   78    H    THR  11           H        THR  11  -2.315  -4.921  -6.016
   79    HA   THR  11           HA       THR  11   0.446  -5.375  -6.850
   80    HB   THR  11           HB       THR  11  -0.537  -3.433  -8.624
   81    HG1  THR  11           1HG      THR  11  -2.187  -5.737  -8.624
   82   1HG2  THR  11          1HG2      THR  11  -0.191  -6.275  -9.444
   83   2HG2  THR  11          2HG2      THR  11   1.193  -5.306  -8.932
   84   3HG2  THR  11          3HG2      THR  11   0.219  -4.795 -10.312
   85    H    THR  12           H        THR  12   1.664  -3.343  -7.038
   86    HA   THR  12           HA       THR  12   1.255  -1.694  -4.793
   87    HB   THR  12           HB       THR  12   3.054  -1.513  -7.192
   88    HG1  THR  12           1HG      THR  12   3.532  -2.983  -5.471
   89   1HG2  THR  12          1HG2      THR  12   4.176   0.375  -6.271
   90   2HG2  THR  12          2HG2      THR  12   3.088   0.404  -4.884
   91   3HG2  THR  12          3HG2      THR  12   2.476   0.785  -6.493
   92    H    SER  13           H        SER  13   0.341  -1.476  -8.134
   93    HA   SER  13           HA       SER  13  -0.498   1.257  -7.974
   94   1HB   SER  13          2HB       SER  13  -0.654   1.161 -10.228
   95   2HB   SER  13          1HB       SER  13   0.205  -0.369 -10.051
   96    HG   SER  13           HG       SER  13  -1.658  -0.665 -11.288
   97    H    ASP  14           H        ASP  14  -1.729  -1.398  -6.604
   98    HA   ASP  14           HA       ASP  14  -4.534  -0.832  -7.205
   99   1HB   ASP  14          2HB       ASP  14  -3.158  -3.084  -5.744
  100   2HB   ASP  14          1HB       ASP  14  -4.906  -2.876  -5.718
  101    H    CYS  15           H        CYS  15  -2.394   0.554  -5.283
  102    HA   CYS  15           HA       CYS  15  -4.305   0.860  -3.061
  103   1HB   CYS  15          2HB       CYS  15  -1.305   1.167  -2.868
  104   2HB   CYS  15          1HB       CYS  15  -2.461   1.197  -1.540
  105    H    CYS  16           H        CYS  16  -3.905   2.898  -1.821
  106    HA   CYS  16           HA       CYS  16  -4.480   5.091  -3.394
  107   1HB   CYS  16          2HB       CYS  16  -3.428   5.108  -0.581
  108   2HB   CYS  16          1HB       CYS  16  -4.355   6.386  -1.367
  109    H    LYS  17           H        LYS  17  -2.749   6.978  -1.917
  110    HA   LYS  17           HA       LYS  17  -0.702   7.075  -3.972
  111   1HB   LYS  17          2HB       LYS  17  -1.230   9.172  -1.881
  112   2HB   LYS  17          1HB       LYS  17  -0.448   9.368  -3.442
  113   1HG   LYS  17          2HG       LYS  17  -2.382   9.836  -4.408
  114   2HG   LYS  17          1HG       LYS  17  -3.095   8.338  -3.809
  115   1HD   LYS  17          2HD       LYS  17  -3.349   9.588  -1.579
  116   2HD   LYS  17          1HD       LYS  17  -3.056  11.050  -2.523
  117   1HE   LYS  17          2HE       LYS  17  -5.072   9.187  -3.605
  118   2HE   LYS  17          1HE       LYS  17  -5.500   9.998  -2.100
  119   1HZ   LYS  17          1HZ       LYS  17  -4.364  11.769  -4.053
  120   2HZ   LYS  17          2HZ       LYS  17  -5.787  11.925  -3.152
  121   3HZ   LYS  17          3HZ       LYS  17  -5.791  11.033  -4.587
  122    H    HIS  18           H        HIS  18  -0.597   8.012  -0.567
  123    HA   HIS  18           HA       HIS  18   2.150   7.704  -0.347
  124   1HB   HIS  18          2HB       HIS  18   0.008   7.770   1.761
  125   2HB   HIS  18          1HB       HIS  18   1.730   7.804   2.132
  126    HD1  HIS  18           1HD      HIS  18   1.919   9.735  -0.654
  127    HD2  HIS  18           2HD      HIS  18   0.057  10.399   3.001
  128    HE1  HIS  18           1HE      HIS  18   1.678  12.232  -0.466
  129    HE2  HIS  18           2HE      HIS  18   0.631  12.614   1.794
  130    H    LEU  19           H        LEU  19  -0.177   5.334  -0.535
  131    HA   LEU  19           HA       LEU  19   1.240   3.427   1.138
  132   1HB   LEU  19          2HB       LEU  19  -1.336   3.345  -0.394
  133   2HB   LEU  19          1HB       LEU  19  -0.635   1.894   0.302
  134    HG   LEU  19           HG       LEU  19  -0.699   3.948   2.290
  135   1HD1  LEU  19          1HD1      LEU  19  -3.142   3.655   0.625
  136   2HD1  LEU  19          2HD1      LEU  19  -2.492   5.076   1.445
  137   3HD1  LEU  19          3HD1      LEU  19  -3.321   3.826   2.371
  138   1HD2  LEU  19          1HD2      LEU  19  -2.576   1.710   2.480
  139   2HD2  LEU  19          2HD2      LEU  19  -1.291   2.220   3.575
  140   3HD2  LEU  19          3HD2      LEU  19  -0.905   1.252   2.154
  141    H    GLY  20           H        GLY  20   1.575   1.217   0.303
  142   1HA   GLY  20          2HA       GLY  20   2.155   0.968  -2.534
  143   2HA   GLY  20          1HA       GLY  20   3.551   0.917  -1.464
  144    H    CYS  21           H        CYS  21   1.574  -1.014  -3.131
  145    HA   CYS  21           HA       CYS  21   0.857  -2.988  -1.243
  146   1HB   CYS  21          2HB       CYS  21  -0.031  -2.579  -3.664
  147   2HB   CYS  21          1HB       CYS  21   1.292  -3.642  -4.133
  148    H    LYS  22           H        LYS  22   1.848  -4.836  -0.600
  149    HA   LYS  22           HA       LYS  22   4.599  -5.276  -1.558
  150   1HB   LYS  22          2HB       LYS  22   3.583  -4.857   1.125
  151   2HB   LYS  22          1HB       LYS  22   4.410  -6.403   0.997
  152   1HG   LYS  22          2HG       LYS  22   5.842  -4.492   1.716
  153   2HG   LYS  22          1HG       LYS  22   6.426  -5.362   0.296
  154   1HD   LYS  22          2HD       LYS  22   4.739  -3.323  -0.657
  155   2HD   LYS  22          1HD       LYS  22   5.761  -2.586   0.580
  156   1HE   LYS  22          2HE       LYS  22   6.612  -4.045  -1.909
  157   2HE   LYS  22          1HE       LYS  22   6.920  -2.363  -1.475
  158   1HZ   LYS  22          1HZ       LYS  22   7.931  -4.164   0.491
  159   2HZ   LYS  22          2HZ       LYS  22   8.737  -2.947  -0.364
  160   3HZ   LYS  22          3HZ       LYS  22   8.586  -4.492  -1.034
  161    H    PHE  23           H        PHE  23   4.709  -7.105  -2.684
  162    HA   PHE  23           HA       PHE  23   2.731  -9.067  -2.750
  163   1HB   PHE  23          2HB       PHE  23   4.770 -10.459  -3.734
  164   2HB   PHE  23          1HB       PHE  23   4.002  -9.167  -4.648
  165    HD1  PHE  23           1HD      PHE  23   6.709  -9.552  -2.101
  166    HD2  PHE  23           2HD      PHE  23   5.399  -7.691  -5.697
  167    HE1  PHE  23           1HE      PHE  23   8.879  -8.411  -2.296
  168    HE2  PHE  23           2HE      PHE  23   7.568  -6.545  -5.899
  169    HZ   PHE  23           HZ       PHE  23   9.311  -6.904  -4.196
  170    H    ARG  24           H        ARG  24   2.507  -9.291  -0.354
  171    HA   ARG  24           HA       ARG  24   3.217 -11.769   0.553
  172   1HB   ARG  24          2HB       ARG  24   5.416  -9.885   0.799
  173   2HB   ARG  24          1HB       ARG  24   4.949 -10.546   2.359
  174   1HG   ARG  24          2HG       ARG  24   5.243 -12.470   0.136
  175   2HG   ARG  24          1HG       ARG  24   6.718 -11.721   0.749
  176   1HD   ARG  24          2HD       ARG  24   6.020 -12.405   3.045
  177   2HD   ARG  24          1HD       ARG  24   4.683 -13.294   2.318
  178    HE   ARG  24           HE       ARG  24   7.420 -14.100   2.434
  179   1HH1  ARG  24          1HH1      ARG  24   4.491 -14.334   0.564
  180   2HH1  ARG  24          2HH1      ARG  24   4.921 -15.846  -0.161
  181   1HH2  ARG  24          1HH2      ARG  24   7.995 -16.094   1.487
  182   2HH2  ARG  24          2HH2      ARG  24   6.914 -16.847   0.364
  183    H    ASP  25           H        ASP  25   3.048  -8.412   1.697
  184    HA   ASP  25           HA       ASP  25   1.885  -9.033   4.204
  185   1HB   ASP  25          2HB       ASP  25   2.029  -6.506   2.567
  186   2HB   ASP  25          1HB       ASP  25   1.203  -6.563   4.121
  187    H    LYS  26           H        LYS  26   0.571  -8.392   1.019
  188    HA   LYS  26           HA       LYS  26  -1.484  -9.052   0.191
  189   1HB   LYS  26          2HB       LYS  26  -1.532 -10.422   2.492
  190   2HB   LYS  26          1HB       LYS  26  -2.771  -9.232   2.863
  191   1HG   LYS  26          2HG       LYS  26  -3.807  -9.905   0.614
  192   2HG   LYS  26          1HG       LYS  26  -2.751 -11.315   0.715
  193   1HD   LYS  26          2HD       LYS  26  -3.769 -12.045   2.730
  194   2HD   LYS  26          1HD       LYS  26  -4.625 -10.514   2.930
  195   1HE   LYS  26          2HE       LYS  26  -6.357 -11.350   1.824
  196   2HE   LYS  26          1HE       LYS  26  -5.338 -11.559   0.400
  197   1HZ   LYS  26          1HZ       LYS  26  -5.928 -13.523   2.531
  198   2HZ   LYS  26          2HZ       LYS  26  -4.616 -13.717   1.483
  199   3HZ   LYS  26          3HZ       LYS  26  -6.190 -13.669   0.867
  200    H    TYR  27           H        TYR  27  -0.971  -6.663   2.621
  201    HA   TYR  27           HA       TYR  27  -3.290  -5.143   1.632
  202   1HB   TYR  27          2HB       TYR  27  -3.039  -3.836   3.785
  203   2HB   TYR  27          1HB       TYR  27  -3.566  -5.503   3.966
  204    HD1  TYR  27           1HD      TYR  27  -2.607  -6.672   5.707
  205    HD2  TYR  27           2HD      TYR  27  -0.333  -3.631   3.792
  206    HE1  TYR  27           1HE      TYR  27  -0.748  -7.090   7.263
  207    HE2  TYR  27           2HE      TYR  27   1.531  -4.039   5.342
  208    HH   TYR  27           HH       TYR  27   1.837  -4.985   7.645
  209    H    CYS  28           H        CYS  28  -2.725  -2.654   2.387
  210    HA   CYS  28           HA       CYS  28  -0.323  -2.005   0.816
  211   1HB   CYS  28          2HB       CYS  28  -2.648  -0.178   1.442
  212   2HB   CYS  28          1HB       CYS  28  -1.365   0.091   0.266
  213    H    ALA  29           H        ALA  29   1.341  -1.005   1.757
  214    HA   ALA  29           HA       ALA  29   0.901   0.219   4.403
  215   1HB   ALA  29          1HB       ALA  29   3.165  -0.549   5.032
  216   2HB   ALA  29          2HB       ALA  29   3.260  -1.431   3.509
  217   3HB   ALA  29          3HB       ALA  29   2.052  -1.880   4.713
  218    H    TRP  30           H        TRP  30   2.009   2.105   4.858
  219    HA   TRP  30           HA       TRP  30   2.438   3.954   2.919
  220   1HB   TRP  30          2HB       TRP  30   3.929   3.724   5.540
  221   2HB   TRP  30          1HB       TRP  30   3.884   5.168   4.536
  222    HD1  TRP  30           HD       TRP  30   2.533   4.332   7.593
  223    HE1  TRP  30           1HE      TRP  30   0.160   5.238   8.001
  224    HE3  TRP  30           3HE      TRP  30   1.213   5.341   2.762
  225    HZ2  TRP  30           2HZ      TRP  30  -1.988   6.246   6.474
  226    HZ3  TRP  30           3HZ      TRP  30  -1.019   6.272   2.320
  227    HH2  TRP  30           HH       TRP  30  -2.587   6.715   4.139
  228    H    ASP  31           H        ASP  31   4.210   4.790   1.804
  229    HA   ASP  31           HA       ASP  31   6.831   3.916   1.917
  230   1HB   ASP  31          2HB       ASP  31   5.933   1.720   1.281
  231   2HB   ASP  31          1HB       ASP  31   5.232   2.433  -0.170
  232    H    PHE  32           H        PHE  32   6.551   6.258   1.633
  233    HA   PHE  32           HA       PHE  32   7.487   7.119  -0.822
  234   1HB   PHE  32          2HB       PHE  32   5.141   6.582  -1.551
  235   2HB   PHE  32          1HB       PHE  32   4.573   7.841  -0.460
  236    HD1  PHE  32           1HD      PHE  32   7.209   7.492  -3.088
  237    HD2  PHE  32           2HD      PHE  32   4.030   9.814  -1.471
  238    HE1  PHE  32           1HE      PHE  32   7.535   9.168  -4.862
  239    HE2  PHE  32           2HE      PHE  32   4.348  11.492  -3.242
  240    HZ   PHE  32           HZ       PHE  32   6.101  11.170  -4.941
  241    H    THR  33           H        THR  33   8.318   9.141  -0.651
  242    HA   THR  33           HA       THR  33   9.063  11.022   0.386
  243    HB   THR  33           HB       THR  33   7.326  12.485   1.386
  244    HG1  THR  33           1HG      THR  33   5.375  10.614   0.679
  245   1HG2  THR  33          1HG2      THR  33   7.095  11.322  -1.300
  246   2HG2  THR  33          2HG2      THR  33   7.219  13.005  -0.790
  247   3HG2  THR  33          3HG2      THR  33   5.668  12.170  -0.705
  248    H    PHE  34           H        PHE  34   6.685  10.586   2.867
  249    HA   PHE  34           HA       PHE  34   8.117  11.041   5.071
  250   1HB   PHE  34          2HB       PHE  34   5.790  10.536   5.285
  251   2HB   PHE  34          1HB       PHE  34   6.026   8.895   4.693
  252    HD1  PHE  34           1HD      PHE  34   5.909  11.019   7.562
  253    HD2  PHE  34           2HD      PHE  34   7.379   7.293   6.122
  254    HE1  PHE  34           1HE      PHE  34   6.171  10.231   9.878
  255    HE2  PHE  34           2HE      PHE  34   7.642   6.499   8.437
  256    HZ   PHE  34           HZ       PHE  34   7.037   7.969  10.318
  257    H    SER  35           H        SER  35   8.249   8.067   3.204
  258    HA   SER  35           HA       SER  35   9.733   6.341   3.186
  259   1HB   SER  35          2HB       SER  35  11.462   8.071   3.149
  260   2HB   SER  35          1HB       SER  35  11.396   8.197   4.906
  261    HG   SER  35           HG       SER  35  13.102   6.817   3.939
  Start of MODEL    3
    1    HA   GLU   1           HA       GLU   1 -10.383   1.514  -5.455
    2   1HB   GLU   1          2HB       GLU   1  -9.333   3.299  -6.839
    3   2HB   GLU   1          1HB       GLU   1 -11.016   2.998  -7.251
    4   1HG   GLU   1          2HG       GLU   1 -11.065   5.012  -5.314
    5   2HG   GLU   1          1HG       GLU   1  -9.748   5.428  -6.408
    6   1HT   GLU   1          1HT       GLU   1 -12.430   1.883  -4.885
    7   2HT   GLU   1          2HT       GLU   1 -12.311   3.564  -5.206
    8   3HT   GLU   1          3HT       GLU   1 -11.827   2.943  -3.681
    9    H    CYS   2           H        CYS   2  -7.994   2.568  -5.462
   10    HA   CYS   2           HA       CYS   2  -6.193   2.878  -4.090
   11   1HB   CYS   2          2HB       CYS   2  -6.098   5.112  -3.952
   12   2HB   CYS   2          1HB       CYS   2  -7.833   5.217  -4.125
   13    H    ARG   3           H        ARG   3  -6.033   1.162  -2.882
   14    HA   ARG   3           HA       ARG   3  -7.658   0.713  -0.581
   15   1HB   ARG   3          2HB       ARG   3  -5.544  -0.728  -2.056
   16   2HB   ARG   3          1HB       ARG   3  -5.600  -1.055  -0.331
   17   1HG   ARG   3          2HG       ARG   3  -7.250  -2.096  -2.422
   18   2HG   ARG   3          1HG       ARG   3  -7.195  -2.549  -0.721
   19   1HD   ARG   3          2HD       ARG   3  -8.816  -0.880  -0.152
   20   2HD   ARG   3          1HD       ARG   3  -8.742  -0.185  -1.771
   21    HE   ARG   3           HE       ARG   3 -10.076  -1.910  -2.565
   22   1HH1  ARG   3          1HH1      ARG   3  -9.209  -2.462   0.764
   23   2HH1  ARG   3          2HH1      ARG   3 -10.369  -3.729   0.989
   24   1HH2  ARG   3          1HH2      ARG   3 -11.600  -3.578  -2.278
   25   2HH2  ARG   3          2HH2      ARG   3 -11.728  -4.363  -0.739
   26    H    TYR   4           H        TYR   4  -7.424   2.362   0.717
   27    HA   TYR   4           HA       TYR   4  -5.088   3.653   1.489
   28   1HB   TYR   4          2HB       TYR   4  -7.102   4.690   2.131
   29   2HB   TYR   4          1HB       TYR   4  -7.744   3.223   2.859
   30    HD1  TYR   4           1HD      TYR   4  -6.983   2.507   5.090
   31    HD2  TYR   4           2HD      TYR   4  -5.675   6.173   3.369
   32    HE1  TYR   4           1HE      TYR   4  -6.216   3.264   7.299
   33    HE2  TYR   4           2HE      TYR   4  -4.905   6.940   5.575
   34    HH   TYR   4           HH       TYR   4  -5.750   5.372   8.465
   35    H    LEU   5           H        LEU   5  -4.209   3.517   3.861
   36    HA   LEU   5           HA       LEU   5  -2.700   1.349   4.278
   37   1HB   LEU   5          2HB       LEU   5  -2.882   3.504   5.667
   38   2HB   LEU   5          1HB       LEU   5  -4.050   2.625   6.637
   39    HG   LEU   5           HG       LEU   5  -1.694   1.022   6.335
   40   1HD1  LEU   5          1HD1      LEU   5  -1.176   3.740   7.523
   41   2HD1  LEU   5          2HD1      LEU   5  -0.617   3.230   5.931
   42   3HD1  LEU   5          3HD1      LEU   5  -0.040   2.398   7.374
   43   1HD2  LEU   5          1HD2      LEU   5  -3.384   2.161   8.477
   44   2HD2  LEU   5          2HD2      LEU   5  -1.748   1.677   8.926
   45   3HD2  LEU   5          3HD2      LEU   5  -2.850   0.500   8.210
   46    H    PHE   6           H        PHE   6  -3.033  -0.744   4.489
   47    HA   PHE   6           HA       PHE   6  -3.838  -2.714   5.353
   48   1HB   PHE   6          2HB       PHE   6  -4.597  -1.198   7.316
   49   2HB   PHE   6          1HB       PHE   6  -6.187  -1.287   6.567
   50    HD1  PHE   6           1HD      PHE   6  -3.441  -3.708   7.317
   51    HD2  PHE   6           2HD      PHE   6  -7.588  -2.786   7.568
   52    HE1  PHE   6           1HE      PHE   6  -3.848  -5.858   8.445
   53    HE2  PHE   6           2HE      PHE   6  -8.002  -4.933   8.696
   54    HZ   PHE   6           HZ       PHE   6  -6.130  -6.471   9.136
   55    H    GLY   7           H        GLY   7  -4.691  -1.295   2.838
   56   1HA   GLY   7          2HA       GLY   7  -7.329  -2.531   2.442
   57   2HA   GLY   7          1HA       GLY   7  -6.606  -1.310   1.406
   58    H    GLY   8           H        GLY   8  -7.430  -4.482   1.533
   59   1HA   GLY   8          2HA       GLY   8  -5.369  -6.008   0.588
   60   2HA   GLY   8          1HA       GLY   8  -7.024  -6.181   0.022
   61    H    CYS   9           H        CYS   9  -4.082  -6.051  -1.159
   62    HA   CYS   9           HA       CYS   9  -4.968  -4.694  -3.597
   63   1HB   CYS   9          2HB       CYS   9  -2.723  -3.608  -3.814
   64   2HB   CYS   9          1HB       CYS   9  -3.702  -2.980  -2.494
   65    H    LYS  10           H        LYS  10  -4.265  -5.593  -5.468
   66    HA   LYS  10           HA       LYS  10  -2.898  -8.146  -5.256
   67   1HB   LYS  10          2HB       LYS  10  -4.827  -6.996  -7.028
   68   2HB   LYS  10          1HB       LYS  10  -3.424  -7.489  -7.967
   69   1HG   LYS  10          2HG       LYS  10  -3.811  -9.651  -6.345
   70   2HG   LYS  10          1HG       LYS  10  -5.462  -9.105  -6.646
   71   1HD   LYS  10          2HD       LYS  10  -5.129  -9.229  -9.023
   72   2HD   LYS  10          1HD       LYS  10  -3.414  -9.584  -8.806
   73   1HE   LYS  10          2HE       LYS  10  -4.302 -11.612  -7.426
   74   2HE   LYS  10          1HE       LYS  10  -5.790 -11.330  -8.326
   75   1HZ   LYS  10          1HZ       LYS  10  -4.204 -12.962  -9.334
   76   2HZ   LYS  10          2HZ       LYS  10  -3.155 -11.670  -9.638
   77   3HZ   LYS  10          3HZ       LYS  10  -4.686 -11.704 -10.360
   78    H    THR  11           H        THR  11  -2.273  -4.915  -6.085
   79    HA   THR  11           HA       THR  11   0.515  -5.520  -6.603
   80    HB   THR  11           HB       THR  11   0.425  -5.198  -8.813
   81    HG1  THR  11           1HG      THR  11   0.932  -3.170  -8.913
   82   1HG2  THR  11          1HG2      THR  11  -2.061  -5.755  -8.598
   83   2HG2  THR  11          2HG2      THR  11  -1.514  -4.927 -10.058
   84   3HG2  THR  11          3HG2      THR  11  -2.318  -4.018  -8.777
   85    H    THR  12           H        THR  12   1.580  -3.226  -7.132
   86    HA   THR  12           HA       THR  12   1.188  -1.695  -4.747
   87    HB   THR  12           HB       THR  12   2.949  -1.389  -7.165
   88    HG1  THR  12           1HG      THR  12   4.540  -1.575  -5.451
   89   1HG2  THR  12          1HG2      THR  12   2.388   0.869  -6.543
   90   2HG2  THR  12          2HG2      THR  12   4.044   0.496  -6.063
   91   3HG2  THR  12          3HG2      THR  12   2.759   0.521  -4.855
   92    H    SER  13           H        SER  13   0.193  -1.428  -8.078
   93    HA   SER  13           HA       SER  13  -0.674   1.277  -7.890
   94   1HB   SER  13          2HB       SER  13   0.009   0.275 -10.043
   95   2HB   SER  13          1HB       SER  13  -1.373  -0.817  -9.956
   96    HG   SER  13           HG       SER  13  -2.535   0.719 -10.766
   97    H    ASP  14           H        ASP  14  -1.896  -1.620  -6.768
   98    HA   ASP  14           HA       ASP  14  -4.697  -0.989  -7.057
   99   1HB   ASP  14          2HB       ASP  14  -3.121  -3.227  -5.860
  100   2HB   ASP  14          1HB       ASP  14  -4.787  -3.000  -5.336
  101    H    CYS  15           H        CYS  15  -2.516   0.530  -5.327
  102    HA   CYS  15           HA       CYS  15  -4.307   0.856  -3.015
  103   1HB   CYS  15          2HB       CYS  15  -1.304   1.140  -2.921
  104   2HB   CYS  15          1HB       CYS  15  -2.423   1.157  -1.562
  105    H    CYS  16           H        CYS  16  -3.932   2.892  -1.847
  106    HA   CYS  16           HA       CYS  16  -4.450   5.081  -3.442
  107   1HB   CYS  16          2HB       CYS  16  -3.396   5.134  -0.634
  108   2HB   CYS  16          1HB       CYS  16  -4.334   6.388  -1.434
  109    H    LYS  17           H        LYS  17  -2.696   6.943  -1.961
  110    HA   LYS  17           HA       LYS  17  -0.609   6.973  -3.984
  111   1HB   LYS  17          2HB       LYS  17  -1.423   9.063  -1.966
  112   2HB   LYS  17          1HB       LYS  17  -0.207   9.284  -3.216
  113   1HG   LYS  17          2HG       LYS  17  -2.340   8.449  -4.680
  114   2HG   LYS  17          1HG       LYS  17  -3.126   9.359  -3.389
  115   1HD   LYS  17          2HD       LYS  17  -1.396  11.188  -3.903
  116   2HD   LYS  17          1HD       LYS  17  -1.112  10.306  -5.404
  117   1HE   LYS  17          2HE       LYS  17  -3.849  11.194  -4.524
  118   2HE   LYS  17          1HE       LYS  17  -2.791  12.200  -5.512
  119   1HZ   LYS  17          1HZ       LYS  17  -2.812   9.754  -6.754
  120   2HZ   LYS  17          2HZ       LYS  17  -3.636  11.145  -7.255
  121   3HZ   LYS  17          3HZ       LYS  17  -4.421   9.999  -6.288
  122    H    HIS  18           H        HIS  18  -0.550   7.971  -0.598
  123    HA   HIS  18           HA       HIS  18   2.180   7.652  -0.311
  124   1HB   HIS  18          2HB       HIS  18  -0.068   7.873   1.642
  125   2HB   HIS  18          1HB       HIS  18   1.579   7.615   2.209
  126    HD1  HIS  18           1HD      HIS  18   1.774   9.931   3.292
  127    HD2  HIS  18           2HD      HIS  18   0.898  10.056  -0.768
  128    HE1  HIS  18           1HE      HIS  18   2.096  12.330   2.606
  129    HE2  HIS  18           2HE      HIS  18   1.652  12.362   0.127
  130    H    LEU  19           H        LEU  19  -0.151   5.267  -0.485
  131    HA   LEU  19           HA       LEU  19   1.262   3.383   1.212
  132   1HB   LEU  19          2HB       LEU  19  -1.280   3.277  -0.364
  133   2HB   LEU  19          1HB       LEU  19  -0.553   1.806   0.254
  134    HG   LEU  19           HG       LEU  19  -0.856   3.952   2.243
  135   1HD1  LEU  19          1HD1      LEU  19  -2.918   3.987   0.675
  136   2HD1  LEU  19          2HD1      LEU  19  -3.151   3.966   2.418
  137   3HD1  LEU  19          3HD1      LEU  19  -3.336   2.482   1.484
  138   1HD2  LEU  19          1HD2      LEU  19  -1.116   2.207   3.691
  139   2HD2  LEU  19          2HD2      LEU  19  -0.187   1.409   2.421
  140   3HD2  LEU  19          3HD2      LEU  19  -1.937   1.195   2.503
  141    H    GLY  20           H        GLY  20   1.597   1.150   0.365
  142   1HA   GLY  20          2HA       GLY  20   2.292   0.914  -2.439
  143   2HA   GLY  20          1HA       GLY  20   3.655   0.888  -1.327
  144    H    CYS  21           H        CYS  21   1.663  -1.057  -3.015
  145    HA   CYS  21           HA       CYS  21   0.972  -3.030  -1.125
  146   1HB   CYS  21          2HB       CYS  21   0.089  -2.613  -3.535
  147   2HB   CYS  21          1HB       CYS  21   1.415  -3.663  -4.019
  148    H    LYS  22           H        LYS  22   2.539  -3.904   0.093
  149    HA   LYS  22           HA       LYS  22   5.109  -4.596  -1.044
  150   1HB   LYS  22          2HB       LYS  22   4.086  -5.166   1.738
  151   2HB   LYS  22          1HB       LYS  22   5.760  -5.163   1.201
  152   1HG   LYS  22          2HG       LYS  22   4.238  -2.656   0.835
  153   2HG   LYS  22          1HG       LYS  22   4.646  -3.118   2.489
  154   1HD   LYS  22          2HD       LYS  22   6.656  -2.991   0.249
  155   2HD   LYS  22          1HD       LYS  22   6.328  -1.643   1.341
  156   1HE   LYS  22          2HE       LYS  22   7.004  -2.975   3.245
  157   2HE   LYS  22          1HE       LYS  22   7.226  -4.387   2.212
  158   1HZ   LYS  22          1HZ       LYS  22   9.318  -3.733   1.979
  159   2HZ   LYS  22          2HZ       LYS  22   9.024  -2.252   2.743
  160   3HZ   LYS  22          3HZ       LYS  22   8.762  -2.410   1.079
  161    H    PHE  23           H        PHE  23   5.401  -6.436  -2.098
  162    HA   PHE  23           HA       PHE  23   3.603  -8.548  -2.216
  163   1HB   PHE  23          2HB       PHE  23   6.522  -8.318  -2.900
  164   2HB   PHE  23          1HB       PHE  23   5.658  -9.840  -3.099
  165    HD1  PHE  23           1HD      PHE  23   4.827 -10.281  -5.184
  166    HD2  PHE  23           2HD      PHE  23   5.186  -6.228  -3.935
  167    HE1  PHE  23           1HE      PHE  23   4.025  -9.532  -7.388
  168    HE2  PHE  23           2HE      PHE  23   4.382  -5.474  -6.133
  169    HZ   PHE  23           HZ       PHE  23   3.801  -7.127  -7.864
  170    H    ARG  24           H        ARG  24   3.125  -8.867   0.085
  171    HA   ARG  24           HA       ARG  24   4.138 -11.198   1.128
  172   1HB   ARG  24          2HB       ARG  24   5.932  -9.001   1.568
  173   2HB   ARG  24          1HB       ARG  24   5.304  -9.558   3.113
  174   1HG   ARG  24          2HG       ARG  24   5.966 -11.872   1.686
  175   2HG   ARG  24          1HG       ARG  24   7.294 -10.739   1.420
  176   1HD   ARG  24          2HD       ARG  24   6.183 -11.220   4.164
  177   2HD   ARG  24          1HD       ARG  24   7.396 -12.296   3.470
  178    HE   ARG  24           HE       ARG  24   7.782  -9.556   4.347
  179   1HH1  ARG  24          1HH1      ARG  24   9.055 -12.289   2.602
  180   2HH1  ARG  24          2HH1      ARG  24  10.698 -11.750   2.698
  181   1HH2  ARG  24          1HH2      ARG  24   9.942  -8.835   4.478
  182   2HH2  ARG  24          2HH2      ARG  24  11.203  -9.786   3.766
  183    H    ASP  25           H        ASP  25   3.312  -7.953   2.360
  184    HA   ASP  25           HA       ASP  25   1.835  -8.932   4.577
  185   1HB   ASP  25          2HB       ASP  25   2.297  -6.289   3.308
  186   2HB   ASP  25          1HB       ASP  25   0.861  -6.445   4.316
  187    H    LYS  26           H        LYS  26   1.002  -8.179   1.272
  188    HA   LYS  26           HA       LYS  26  -0.843  -8.935   0.096
  189   1HB   LYS  26          2HB       LYS  26  -2.395  -9.308   2.639
  190   2HB   LYS  26          1HB       LYS  26  -2.597 -10.119   1.093
  191   1HG   LYS  26          2HG       LYS  26  -0.012 -10.760   1.948
  192   2HG   LYS  26          1HG       LYS  26  -1.045 -10.900   3.373
  193   1HD   LYS  26          2HD       LYS  26  -2.351 -12.038   1.078
  194   2HD   LYS  26          1HD       LYS  26  -0.750 -12.749   1.284
  195   1HE   LYS  26          2HE       LYS  26  -2.136 -14.111   2.573
  196   2HE   LYS  26          1HE       LYS  26  -1.404 -13.021   3.749
  197   1HZ   LYS  26          1HZ       LYS  26  -4.032 -12.443   2.527
  198   2HZ   LYS  26          2HZ       LYS  26  -3.368 -11.801   3.941
  199   3HZ   LYS  26          3HZ       LYS  26  -3.892 -13.409   3.908
  200    H    TYR  27           H        TYR  27  -0.847  -6.606   2.621
  201    HA   TYR  27           HA       TYR  27  -3.107  -5.187   1.379
  202   1HB   TYR  27          2HB       TYR  27  -3.187  -3.880   3.508
  203   2HB   TYR  27          1HB       TYR  27  -3.518  -5.589   3.716
  204    HD1  TYR  27           1HD      TYR  27  -2.591  -6.555   5.583
  205    HD2  TYR  27           2HD      TYR  27  -0.519  -3.353   3.699
  206    HE1  TYR  27           1HE      TYR  27  -0.842  -6.680   7.306
  207    HE2  TYR  27           2HE      TYR  27   1.238  -3.471   5.416
  208    HH   TYR  27           HH       TYR  27   1.696  -6.018   7.404
  209    H    CYS  28           H        CYS  28  -2.649  -2.666   2.275
  210    HA   CYS  28           HA       CYS  28  -0.225  -1.937   0.782
  211   1HB   CYS  28          2HB       CYS  28  -2.580  -0.154   1.376
  212   2HB   CYS  28          1HB       CYS  28  -1.312   0.097   0.179
  213    H    ALA  29           H        ALA  29   1.371  -0.841   1.745
  214    HA   ALA  29           HA       ALA  29   0.847   0.340   4.394
  215   1HB   ALA  29          1HB       ALA  29   3.563  -0.517   4.222
  216   2HB   ALA  29          2HB       ALA  29   2.506  -1.872   3.823
  217   3HB   ALA  29          3HB       ALA  29   2.310  -1.022   5.357
  218    H    TRP  30           H        TRP  30   1.938   2.237   4.886
  219    HA   TRP  30           HA       TRP  30   2.351   4.130   3.017
  220   1HB   TRP  30          2HB       TRP  30   4.012   3.808   5.527
  221   2HB   TRP  30          1HB       TRP  30   3.841   5.296   4.600
  222    HD1  TRP  30           HD       TRP  30   2.658   3.992   7.659
  223    HE1  TRP  30           1HE      TRP  30   0.346   4.911   8.322
  224    HE3  TRP  30           3HE      TRP  30   1.196   5.845   3.127
  225    HZ2  TRP  30           2HZ      TRP  30  -1.812   6.247   7.084
  226    HZ3  TRP  30           3HZ      TRP  30  -1.007   6.927   2.952
  227    HH2  TRP  30           HH       TRP  30  -2.478   7.122   4.889
  228    H    ASP  31           H        ASP  31   4.100   4.999   1.872
  229    HA   ASP  31           HA       ASP  31   6.712   4.231   1.810
  230   1HB   ASP  31          2HB       ASP  31   5.034   2.110   0.844
  231   2HB   ASP  31          1HB       ASP  31   6.055   2.693  -0.468
  232    H    PHE  32           H        PHE  32   5.586   6.566   1.329
  233    HA   PHE  32           HA       PHE  32   6.722   7.519  -0.971
  234   1HB   PHE  32          2HB       PHE  32   4.460   6.035  -1.659
  235   2HB   PHE  32          1HB       PHE  32   3.936   7.712  -1.761
  236    HD1  PHE  32           1HD      PHE  32   5.193   9.294  -3.238
  237    HD2  PHE  32           2HD      PHE  32   5.862   5.092  -3.289
  238    HE1  PHE  32           1HE      PHE  32   6.271   9.496  -5.441
  239    HE2  PHE  32           2HE      PHE  32   6.943   5.286  -5.490
  240    HZ   PHE  32           HZ       PHE  32   7.148   7.490  -6.569
  241    H    THR  33           H        THR  33   7.068   9.535  -0.346
  242    HA   THR  33           HA       THR  33   4.940  10.954   1.110
  243    HB   THR  33           HB       THR  33   6.609  12.231   2.205
  244    HG1  THR  33           1HG      THR  33   8.274  12.773   1.073
  245   1HG2  THR  33          1HG2      THR  33   6.659   9.465   2.424
  246   2HG2  THR  33          2HG2      THR  33   7.327  10.638   3.560
  247   3HG2  THR  33          3HG2      THR  33   8.353   9.943   2.306
  248    H    PHE  34           H        PHE  34   5.385  13.486   0.854
  249    HA   PHE  34           HA       PHE  34   5.224  15.313  -0.490
  250   1HB   PHE  34          2HB       PHE  34   7.503  14.742  -1.184
  251   2HB   PHE  34          1HB       PHE  34   6.870  13.632  -2.395
  252    HD1  PHE  34           1HD      PHE  34   5.708  17.047  -1.521
  253    HD2  PHE  34           2HD      PHE  34   7.559  14.540  -4.418
  254    HE1  PHE  34           1HE      PHE  34   5.631  18.886  -3.154
  255    HE2  PHE  34           2HE      PHE  34   7.487  16.375  -6.058
  256    HZ   PHE  34           HZ       PHE  34   6.523  18.552  -5.425
  257    H    SER  35           H        SER  35   5.186  12.698  -2.911
  258    HA   SER  35           HA       SER  35   3.655  12.101  -4.481
  259   1HB   SER  35          2HB       SER  35   1.371  11.965  -3.827
  260   2HB   SER  35          1HB       SER  35   2.309  11.728  -2.354
  261    HG   SER  35           HG       SER  35   0.461  13.565  -2.839
  Start of MODEL    4
    1    HA   GLU   1           HA       GLU   1 -10.569   3.190  -6.120
    2   1HB   GLU   1          2HB       GLU   1  -9.932   0.920  -6.324
    3   2HB   GLU   1          1HB       GLU   1 -10.553   1.374  -7.904
    4   1HG   GLU   1          2HG       GLU   1  -7.628   1.559  -7.354
    5   2HG   GLU   1          1HG       GLU   1  -8.364  -0.003  -7.709
    6   1HT   GLU   1          1HT       GLU   1 -10.301   4.749  -7.709
    7   2HT   GLU   1          2HT       GLU   1 -10.546   3.330  -8.644
    8   3HT   GLU   1          3HT       GLU   1  -8.962   3.957  -8.430
    9    H    CYS   2           H        CYS   2  -9.076   2.392  -4.410
   10    HA   CYS   2           HA       CYS   2  -6.328   2.585  -4.445
   11   1HB   CYS   2          2HB       CYS   2  -5.750   4.738  -4.283
   12   2HB   CYS   2          1HB       CYS   2  -7.370   5.113  -4.812
   13    H    ARG   3           H        ARG   3  -6.136   1.114  -3.003
   14    HA   ARG   3           HA       ARG   3  -7.720   0.999  -0.650
   15   1HB   ARG   3          2HB       ARG   3  -5.831  -0.717  -2.090
   16   2HB   ARG   3          1HB       ARG   3  -5.678  -0.842  -0.346
   17   1HG   ARG   3          2HG       ARG   3  -7.728  -1.893  -2.129
   18   2HG   ARG   3          1HG       ARG   3  -7.275  -2.399  -0.503
   19   1HD   ARG   3          2HD       ARG   3  -8.521  -0.313   0.288
   20   2HD   ARG   3          1HD       ARG   3  -9.203  -0.259  -1.338
   21    HE   ARG   3           HE       ARG   3  -9.649  -2.820  -0.428
   22   1HH1  ARG   3          1HH1      ARG   3 -10.481   0.405   0.584
   23   2HH1  ARG   3          2HH1      ARG   3 -11.949  -0.076   1.368
   24   1HH2  ARG   3          1HH2      ARG   3 -11.583  -3.470   0.614
   25   2HH2  ARG   3          2HH2      ARG   3 -12.574  -2.278   1.385
   26    H    TYR   4           H        TYR   4  -7.341   2.440   0.859
   27    HA   TYR   4           HA       TYR   4  -4.872   3.689   1.357
   28   1HB   TYR   4          2HB       TYR   4  -7.522   3.875   2.344
   29   2HB   TYR   4          1HB       TYR   4  -6.483   3.612   3.741
   30    HD1  TYR   4           1HD      TYR   4  -7.991   6.087   1.919
   31    HD2  TYR   4           2HD      TYR   4  -4.160   5.084   3.476
   32    HE1  TYR   4           1HE      TYR   4  -7.362   8.464   1.887
   33    HE2  TYR   4           2HE      TYR   4  -3.523   7.457   3.452
   34    HH   TYR   4           HH       TYR   4  -4.820   9.716   3.543
   35    H    LEU   5           H        LEU   5  -4.655   3.437   4.176
   36    HA   LEU   5           HA       LEU   5  -2.823   1.356   4.416
   37   1HB   LEU   5          2HB       LEU   5  -3.399   3.479   5.924
   38   2HB   LEU   5          1HB       LEU   5  -4.222   2.254   6.871
   39    HG   LEU   5           HG       LEU   5  -2.117   0.994   7.073
   40   1HD1  LEU   5          1HD1      LEU   5  -1.231   3.007   5.126
   41   2HD1  LEU   5          2HD1      LEU   5  -0.659   1.361   5.404
   42   3HD1  LEU   5          3HD1      LEU   5  -0.095   2.677   6.435
   43   1HD2  LEU   5          1HD2      LEU   5  -1.022   3.430   8.048
   44   2HD2  LEU   5          2HD2      LEU   5  -1.822   2.141   8.946
   45   3HD2  LEU   5          3HD2      LEU   5  -2.769   3.470   8.278
   46    H    PHE   6           H        PHE   6  -2.930  -0.740   4.846
   47    HA   PHE   6           HA       PHE   6  -3.706  -2.792   5.425
   48   1HB   PHE   6          2HB       PHE   6  -5.087  -0.987   7.207
   49   2HB   PHE   6          1HB       PHE   6  -6.108  -2.364   6.803
   50    HD1  PHE   6           1HD      PHE   6  -3.238  -1.211   8.654
   51    HD2  PHE   6           2HD      PHE   6  -5.288  -4.668   7.253
   52    HE1  PHE   6           1HE      PHE   6  -2.014  -2.591  10.282
   53    HE2  PHE   6           2HE      PHE   6  -4.068  -6.054   8.882
   54    HZ   PHE   6           HZ       PHE   6  -2.429  -5.017  10.397
   55    H    GLY   7           H        GLY   7  -4.717  -1.262   3.030
   56   1HA   GLY   7          2HA       GLY   7  -7.315  -2.585   2.648
   57   2HA   GLY   7          1HA       GLY   7  -6.671  -1.287   1.655
   58    H    GLY   8           H        GLY   8  -7.124  -4.622   1.916
   59   1HA   GLY   8          2HA       GLY   8  -5.130  -5.974   0.765
   60   2HA   GLY   8          1HA       GLY   8  -6.789  -6.205   0.236
   61    H    CYS   9           H        CYS   9  -4.056  -6.181  -1.149
   62    HA   CYS   9           HA       CYS   9  -4.982  -4.729  -3.492
   63   1HB   CYS   9          2HB       CYS   9  -2.699  -3.650  -3.749
   64   2HB   CYS   9          1HB       CYS   9  -3.732  -2.977  -2.491
   65    H    LYS  10           H        LYS  10  -4.318  -5.616  -5.391
   66    HA   LYS  10           HA       LYS  10  -2.955  -8.162  -5.238
   67   1HB   LYS  10          2HB       LYS  10  -3.849  -6.788  -7.763
   68   2HB   LYS  10          1HB       LYS  10  -3.617  -8.509  -7.487
   69   1HG   LYS  10          2HG       LYS  10  -5.651  -7.106  -5.848
   70   2HG   LYS  10          1HG       LYS  10  -6.014  -7.403  -7.549
   71   1HD   LYS  10          2HD       LYS  10  -5.672  -9.770  -7.259
   72   2HD   LYS  10          1HD       LYS  10  -5.119  -9.525  -5.602
   73   1HE   LYS  10          2HE       LYS  10  -7.863  -8.732  -6.544
   74   2HE   LYS  10          1HE       LYS  10  -7.505 -10.325  -5.880
   75   1HZ   LYS  10          1HZ       LYS  10  -6.464  -8.761  -4.000
   76   2HZ   LYS  10          2HZ       LYS  10  -8.061  -9.317  -3.964
   77   3HZ   LYS  10          3HZ       LYS  10  -7.720  -7.761  -4.535
   78    H    THR  11           H        THR  11  -2.233  -4.922  -5.953
   79    HA   THR  11           HA       THR  11   0.555  -5.558  -6.348
   80    HB   THR  11           HB       THR  11   0.600  -5.358  -8.570
   81    HG1  THR  11           1HG      THR  11   1.021  -3.369  -8.973
   82   1HG2  THR  11          1HG2      THR  11  -2.156  -4.210  -8.754
   83   2HG2  THR  11          2HG2      THR  11  -1.883  -5.932  -8.481
   84   3HG2  THR  11          3HG2      THR  11  -1.267  -5.161  -9.945
   85    H    THR  12           H        THR  12   1.639  -3.262  -6.986
   86    HA   THR  12           HA       THR  12   1.160  -1.630  -4.686
   87    HB   THR  12           HB       THR  12   3.039  -1.484  -7.018
   88    HG1  THR  12           1HG      THR  12   3.679  -2.760  -5.304
   89   1HG2  THR  12          1HG2      THR  12   2.549   0.810  -6.748
   90   2HG2  THR  12          2HG2      THR  12   4.070   0.506  -5.911
   91   3HG2  THR  12          3HG2      THR  12   2.576   0.676  -4.991
   92    H    SER  13           H        SER  13   0.227  -1.557  -8.024
   93    HA   SER  13           HA       SER  13  -0.644   1.162  -8.010
   94   1HB   SER  13          2HB       SER  13  -1.461   0.730 -10.245
   95   2HB   SER  13          1HB       SER  13   0.128  -0.018 -10.072
   96    HG   SER  13           HG       SER  13  -1.884  -1.232 -10.966
   97    H    ASP  14           H        ASP  14  -1.843  -1.560  -6.594
   98    HA   ASP  14           HA       ASP  14  -4.655  -0.993  -7.074
   99   1HB   ASP  14          2HB       ASP  14  -3.129  -3.186  -5.729
  100   2HB   ASP  14          1HB       ASP  14  -4.825  -2.950  -5.318
  101    H    CYS  15           H        CYS  15  -2.501   0.545  -5.295
  102    HA   CYS  15           HA       CYS  15  -4.363   0.924  -3.042
  103   1HB   CYS  15          2HB       CYS  15  -1.371   1.319  -2.904
  104   2HB   CYS  15          1HB       CYS  15  -2.511   1.304  -1.564
  105    H    CYS  16           H        CYS  16  -3.667   3.043  -1.864
  106    HA   CYS  16           HA       CYS  16  -4.291   5.165  -3.619
  107   1HB   CYS  16          2HB       CYS  16  -3.507   5.251  -0.724
  108   2HB   CYS  16          1HB       CYS  16  -4.305   6.538  -1.627
  109    H    LYS  17           H        LYS  17  -2.625   7.055  -2.012
  110    HA   LYS  17           HA       LYS  17  -0.464   7.113  -3.946
  111   1HB   LYS  17          2HB       LYS  17  -1.756   9.091  -2.144
  112   2HB   LYS  17          1HB       LYS  17  -0.088   9.386  -2.613
  113   1HG   LYS  17          2HG       LYS  17  -0.670   9.421  -4.928
  114   2HG   LYS  17          1HG       LYS  17  -2.314   8.884  -4.575
  115   1HD   LYS  17          2HD       LYS  17  -2.878  11.046  -4.544
  116   2HD   LYS  17          1HD       LYS  17  -2.005  11.151  -3.014
  117   1HE   LYS  17          2HE       LYS  17  -0.651  11.488  -5.677
  118   2HE   LYS  17          1HE       LYS  17  -1.379  12.839  -4.808
  119   1HZ   LYS  17          1HZ       LYS  17   0.757  12.929  -4.044
  120   2HZ   LYS  17          2HZ       LYS  17   0.996  11.256  -4.130
  121   3HZ   LYS  17          3HZ       LYS  17   0.082  11.916  -2.869
  122    H    HIS  18           H        HIS  18  -0.533   7.984  -0.520
  123    HA   HIS  18           HA       HIS  18   2.192   7.618  -0.159
  124   1HB   HIS  18          2HB       HIS  18   0.077   7.507   1.973
  125   2HB   HIS  18          1HB       HIS  18   1.775   7.911   2.199
  126    HD1  HIS  18           1HD      HIS  18   1.384   9.710  -0.635
  127    HD2  HIS  18           2HD      HIS  18  -0.374  10.137   3.106
  128    HE1  HIS  18           1HE      HIS  18   0.650  12.114  -0.506
  129    HE2  HIS  18           2HE      HIS  18  -0.467  12.332   1.740
  130    H    LEU  19           H        LEU  19  -0.143   5.286  -0.553
  131    HA   LEU  19           HA       LEU  19   1.223   3.336   1.137
  132   1HB   LEU  19          2HB       LEU  19  -1.414   3.370  -0.275
  133   2HB   LEU  19          1HB       LEU  19  -0.721   1.862   0.293
  134    HG   LEU  19           HG       LEU  19  -0.603   3.748   2.418
  135   1HD1  LEU  19          1HD1      LEU  19  -3.084   3.811   0.816
  136   2HD1  LEU  19          2HD1      LEU  19  -2.360   5.049   1.842
  137   3HD1  LEU  19          3HD1      LEU  19  -3.257   3.719   2.567
  138   1HD2  LEU  19          1HD2      LEU  19  -0.998   1.088   2.063
  139   2HD2  LEU  19          2HD2      LEU  19  -2.607   1.624   2.533
  140   3HD2  LEU  19          3HD2      LEU  19  -1.230   1.946   3.583
  141    H    GLY  20           H        GLY  20   2.054   1.423   0.428
  142   1HA   GLY  20          2HA       GLY  20   2.321   1.049  -2.480
  143   2HA   GLY  20          1HA       GLY  20   3.747   1.010  -1.450
  144    H    CYS  21           H        CYS  21   1.708  -0.943  -3.040
  145    HA   CYS  21           HA       CYS  21   1.188  -2.931  -1.070
  146   1HB   CYS  21          2HB       CYS  21  -0.058  -2.489  -3.305
  147   2HB   CYS  21          1HB       CYS  21   1.211  -3.478  -4.018
  148    H    LYS  22           H        LYS  22   2.553  -4.419  -0.313
  149    HA   LYS  22           HA       LYS  22   5.002  -4.951  -1.860
  150   1HB   LYS  22          2HB       LYS  22   4.864  -5.646   1.030
  151   2HB   LYS  22          1HB       LYS  22   6.225  -5.076   0.075
  152   1HG   LYS  22          2HG       LYS  22   5.924  -3.023   0.831
  153   2HG   LYS  22          1HG       LYS  22   4.276  -3.003   0.203
  154   1HD   LYS  22          2HD       LYS  22   3.476  -3.075   2.275
  155   2HD   LYS  22          1HD       LYS  22   4.312  -4.604   2.553
  156   1HE   LYS  22          2HE       LYS  22   5.346  -1.817   3.037
  157   2HE   LYS  22          1HE       LYS  22   5.030  -3.071   4.233
  158   1HZ   LYS  22          1HZ       LYS  22   7.163  -3.597   4.026
  159   2HZ   LYS  22          2HZ       LYS  22   7.365  -2.624   2.656
  160   3HZ   LYS  22          3HZ       LYS  22   6.802  -4.211   2.490
  161    H    PHE  23           H        PHE  23   5.500  -6.988  -2.437
  162    HA   PHE  23           HA       PHE  23   3.584  -8.984  -2.514
  163   1HB   PHE  23          2HB       PHE  23   5.401 -10.489  -3.198
  164   2HB   PHE  23          1HB       PHE  23   5.516  -8.935  -4.017
  165    HD1  PHE  23           1HD      PHE  23   7.550  -7.855  -4.074
  166    HD2  PHE  23           2HD      PHE  23   6.798 -10.695  -0.996
  167    HE1  PHE  23           1HE      PHE  23   9.871  -7.618  -3.294
  168    HE2  PHE  23           2HE      PHE  23   9.117 -10.463  -0.209
  169    HZ   PHE  23           HZ       PHE  23  10.658  -8.922  -1.360
  170    H    ARG  24           H        ARG  24   3.042 -10.672  -1.221
  171    HA   ARG  24           HA       ARG  24   3.122 -12.157   0.536
  172   1HB   ARG  24          2HB       ARG  24   5.735 -11.647   0.293
  173   2HB   ARG  24          1HB       ARG  24   5.455 -10.844   1.833
  174   1HG   ARG  24          2HG       ARG  24   6.022 -12.930   2.556
  175   2HG   ARG  24          1HG       ARG  24   4.273 -13.112   2.431
  176   1HD   ARG  24          2HD       ARG  24   5.751 -13.690  -0.036
  177   2HD   ARG  24          1HD       ARG  24   6.094 -14.784   1.303
  178    HE   ARG  24           HE       ARG  24   3.291 -14.294   0.721
  179   1HH1  ARG  24          1HH1      ARG  24   6.064 -16.360   0.302
  180   2HH1  ARG  24          2HH1      ARG  24   5.123 -17.760  -0.086
  181   1HH2  ARG  24          1HH2      ARG  24   2.043 -16.132   0.209
  182   2HH2  ARG  24          2HH2      ARG  24   2.836 -17.632  -0.136
  183    H    ASP  25           H        ASP  25   2.934  -8.826   0.645
  184    HA   ASP  25           HA       ASP  25   2.398  -8.542   3.463
  185   1HB   ASP  25          2HB       ASP  25   3.381  -6.732   1.986
  186   2HB   ASP  25          1HB       ASP  25   1.782  -6.559   1.271
  187    H    LYS  26           H        LYS  26   0.495  -8.446   0.468
  188    HA   LYS  26           HA       LYS  26  -1.649  -9.243   0.129
  189   1HB   LYS  26          2HB       LYS  26  -1.191 -10.322   2.562
  190   2HB   LYS  26          1HB       LYS  26  -2.449  -9.165   2.975
  191   1HG   LYS  26          2HG       LYS  26  -2.956 -10.840   0.602
  192   2HG   LYS  26          1HG       LYS  26  -2.946 -11.665   2.162
  193   1HD   LYS  26          2HD       LYS  26  -4.577 -10.016   3.008
  194   2HD   LYS  26          1HD       LYS  26  -4.627  -9.277   1.405
  195   1HE   LYS  26          2HE       LYS  26  -5.184 -12.198   1.757
  196   2HE   LYS  26          1HE       LYS  26  -6.444 -11.004   2.065
  197   1HZ   LYS  26          1HZ       LYS  26  -5.488 -11.989  -0.416
  198   2HZ   LYS  26          2HZ       LYS  26  -5.326 -10.307  -0.355
  199   3HZ   LYS  26          3HZ       LYS  26  -6.838 -11.019  -0.101
  200    H    TYR  27           H        TYR  27  -0.940  -6.710   2.441
  201    HA   TYR  27           HA       TYR  27  -3.298  -5.233   1.463
  202   1HB   TYR  27          2HB       TYR  27  -3.115  -3.937   3.629
  203   2HB   TYR  27          1HB       TYR  27  -3.620  -5.609   3.795
  204    HD1  TYR  27           1HD      TYR  27  -0.928  -3.205   4.403
  205    HD2  TYR  27           2HD      TYR  27  -2.171  -7.249   4.850
  206    HE1  TYR  27           1HE      TYR  27   0.901  -3.585   6.003
  207    HE2  TYR  27           2HE      TYR  27  -0.347  -7.639   6.451
  208    HH   TYR  27           HH       TYR  27   1.060  -5.839   8.114
  209    H    CYS  28           H        CYS  28  -2.757  -2.741   2.278
  210    HA   CYS  28           HA       CYS  28  -0.370  -2.048   0.710
  211   1HB   CYS  28          2HB       CYS  28  -2.690  -0.261   1.466
  212   2HB   CYS  28          1HB       CYS  28  -1.403   0.109   0.323
  213    H    ALA  29           H        ALA  29   1.318  -1.042   1.647
  214    HA   ALA  29           HA       ALA  29   0.933  -0.027   4.390
  215   1HB   ALA  29          1HB       ALA  29   3.118  -0.766   4.995
  216   2HB   ALA  29          2HB       ALA  29   3.478  -1.239   3.333
  217   3HB   ALA  29          3HB       ALA  29   2.274  -2.131   4.264
  218    H    TRP  30           H        TRP  30   1.858   1.909   4.920
  219    HA   TRP  30           HA       TRP  30   2.054   3.948   3.191
  220   1HB   TRP  30          2HB       TRP  30   3.782   3.483   5.628
  221   2HB   TRP  30          1HB       TRP  30   3.722   5.015   4.763
  222    HD1  TRP  30           HD       TRP  30   2.499   3.830   7.809
  223    HE1  TRP  30           1HE      TRP  30   0.219   4.821   8.468
  224    HE3  TRP  30           3HE      TRP  30   1.013   5.588   3.238
  225    HZ2  TRP  30           2HZ      TRP  30  -1.925   6.165   7.225
  226    HZ3  TRP  30           3HZ      TRP  30  -1.172   6.712   3.064
  227    HH2  TRP  30           HH       TRP  30  -2.606   6.994   5.016
  228    H    ASP  31           H        ASP  31   3.846   5.105   2.207
  229    HA   ASP  31           HA       ASP  31   5.525   3.387   0.698
  230   1HB   ASP  31          2HB       ASP  31   4.597   6.091   0.528
  231   2HB   ASP  31          1HB       ASP  31   6.348   6.072   0.348
  232    H    PHE  32           H        PHE  32   6.247   2.852   3.168
  233    HA   PHE  32           HA       PHE  32   7.961   4.096   4.727
  234   1HB   PHE  32          2HB       PHE  32   7.401   1.640   4.759
  235   2HB   PHE  32          1HB       PHE  32   8.687   1.399   3.580
  236    HD1  PHE  32           1HD      PHE  32   8.263   3.208   6.822
  237    HD2  PHE  32           2HD      PHE  32  10.653   0.610   4.445
  238    HE1  PHE  32           1HE      PHE  32   9.902   3.052   8.649
  239    HE2  PHE  32           2HE      PHE  32  12.296   0.447   6.270
  240    HZ   PHE  32           HZ       PHE  32  11.923   1.669   8.374
  241    H    THR  33           H        THR  33   9.096   5.791   3.808
  242    HA   THR  33           HA       THR  33  11.731   5.432   3.146
  243    HB   THR  33           HB       THR  33  11.096   6.263   0.557
  244    HG1  THR  33           1HG      THR  33   9.792   3.824   0.830
  245   1HG2  THR  33          1HG2      THR  33  11.809   3.445   1.302
  246   2HG2  THR  33          2HG2      THR  33  12.967   4.774   1.321
  247   3HG2  THR  33          3HG2      THR  33  12.182   4.310  -0.189
  248    H    PHE  34           H        PHE  34  12.817   7.361   2.996
  249    HA   PHE  34           HA       PHE  34  11.187   9.800   2.764
  250   1HB   PHE  34          2HB       PHE  34  13.107  10.580   4.521
  251   2HB   PHE  34          1HB       PHE  34  11.506  10.023   4.995
  252    HD1  PHE  34           1HD      PHE  34  11.242   8.099   6.298
  253    HD2  PHE  34           2HD      PHE  34  14.995   8.911   4.467
  254    HE1  PHE  34           1HE      PHE  34  12.263   6.270   7.590
  255    HE2  PHE  34           2HE      PHE  34  16.024   7.084   5.754
  256    HZ   PHE  34           HZ       PHE  34  14.658   5.760   7.318
  257    H    SER  35           H        SER  35  12.367   9.046   0.553
  258    HA   SER  35           HA       SER  35  13.814   9.666  -1.088
  259   1HB   SER  35          2HB       SER  35  13.174  11.962   0.061
  260   2HB   SER  35          1HB       SER  35  14.866  11.930   0.557
  261    HG   SER  35           HG       SER  35  14.702  12.971  -1.422
  Start of MODEL    5
    1    HA   GLU   1           HA       GLU   1  -9.280   1.535  -6.648
    2   1HB   GLU   1          2HB       GLU   1  -8.255   3.696  -8.433
    3   2HB   GLU   1          1HB       GLU   1  -8.220   1.952  -8.656
    4   1HG   GLU   1          2HG       GLU   1  -9.865   2.266 -10.115
    5   2HG   GLU   1          1HG       GLU   1 -10.902   2.508  -8.708
    6   1HT   GLU   1          1HT       GLU   1 -10.543   4.093  -7.195
    7   2HT   GLU   1          2HT       GLU   1 -10.507   3.512  -5.581
    8   3HT   GLU   1          3HT       GLU   1 -11.236   2.571  -6.817
    9    H    CYS   2           H        CYS   2  -8.696   2.068  -4.421
   10    HA   CYS   2           HA       CYS   2  -6.070   2.840  -4.124
   11   1HB   CYS   2          2HB       CYS   2  -6.072   5.078  -4.145
   12   2HB   CYS   2          1HB       CYS   2  -7.803   5.102  -4.382
   13    H    ARG   3           H        ARG   3  -5.947   1.193  -2.833
   14    HA   ARG   3           HA       ARG   3  -7.636   0.931  -0.530
   15   1HB   ARG   3          2HB       ARG   3  -5.937  -0.786  -2.105
   16   2HB   ARG   3          1HB       ARG   3  -5.522  -0.929  -0.404
   17   1HG   ARG   3          2HG       ARG   3  -7.499  -2.321  -1.693
   18   2HG   ARG   3          1HG       ARG   3  -7.367  -2.110   0.051
   19   1HD   ARG   3          2HD       ARG   3  -8.902  -0.322   0.057
   20   2HD   ARG   3          1HD       ARG   3  -8.821  -0.147  -1.695
   21    HE   ARG   3           HE       ARG   3 -10.329  -1.883  -1.920
   22   1HH1  ARG   3          1HH1      ARG   3  -9.251  -1.661   1.383
   23   2HH1  ARG   3          2HH1      ARG   3 -10.455  -2.749   1.986
   24   1HH2  ARG   3          1HH2      ARG   3 -11.921  -3.317  -1.136
   25   2HH2  ARG   3          2HH2      ARG   3 -11.971  -3.691   0.553
   26    H    TYR   4           H        TYR   4  -7.257   2.419   0.894
   27    HA   TYR   4           HA       TYR   4  -4.837   3.627   1.537
   28   1HB   TYR   4          2HB       TYR   4  -7.461   3.819   2.422
   29   2HB   TYR   4          1HB       TYR   4  -6.593   3.277   3.853
   30    HD1  TYR   4           1HD      TYR   4  -5.424   4.818   5.162
   31    HD2  TYR   4           2HD      TYR   4  -6.527   5.882   1.193
   32    HE1  TYR   4           1HE      TYR   4  -4.671   7.123   5.576
   33    HE2  TYR   4           2HE      TYR   4  -5.773   8.188   1.595
   34    HH   TYR   4           HH       TYR   4  -4.521   9.497   3.003
   35    H    LEU   5           H        LEU   5  -4.624   3.256   4.343
   36    HA   LEU   5           HA       LEU   5  -2.747   1.207   4.533
   37   1HB   LEU   5          2HB       LEU   5  -3.711   3.202   6.204
   38   2HB   LEU   5          1HB       LEU   5  -4.085   1.719   7.060
   39    HG   LEU   5           HG       LEU   5  -1.376   1.657   6.058
   40   1HD1  LEU   5          1HD1      LEU   5  -0.403   3.491   7.039
   41   2HD1  LEU   5          2HD1      LEU   5  -1.764   3.767   8.129
   42   3HD1  LEU   5          3HD1      LEU   5  -1.902   4.182   6.421
   43   1HD2  LEU   5          1HD2      LEU   5  -2.738   1.434   8.724
   44   2HD2  LEU   5          2HD2      LEU   5  -0.981   1.393   8.571
   45   3HD2  LEU   5          3HD2      LEU   5  -1.966   0.170   7.767
   46    H    PHE   6           H        PHE   6  -2.808  -0.928   5.004
   47    HA   PHE   6           HA       PHE   6  -3.618  -3.014   5.420
   48   1HB   PHE   6          2HB       PHE   6  -5.799  -1.442   6.796
   49   2HB   PHE   6          1HB       PHE   6  -5.699  -3.199   6.827
   50    HD1  PHE   6           1HD      PHE   6  -2.425  -2.359   6.769
   51    HD2  PHE   6           2HD      PHE   6  -5.787  -2.045   9.357
   52    HE1  PHE   6           1HE      PHE   6  -0.916  -2.237   8.707
   53    HE2  PHE   6           2HE      PHE   6  -4.284  -1.921  11.302
   54    HZ   PHE   6           HZ       PHE   6  -1.844  -2.017  10.977
   55    H    GLY   7           H        GLY   7  -4.587  -1.177   3.125
   56   1HA   GLY   7          2HA       GLY   7  -7.145  -2.327   2.433
   57   2HA   GLY   7          1HA       GLY   7  -6.201  -1.214   1.455
   58    H    GLY   8           H        GLY   8  -7.506  -4.128   1.322
   59   1HA   GLY   8          2HA       GLY   8  -5.429  -5.862   0.524
   60   2HA   GLY   8          1HA       GLY   8  -7.123  -6.023   0.076
   61    H    CYS   9           H        CYS   9  -4.041  -5.477  -1.065
   62    HA   CYS   9           HA       CYS   9  -5.075  -4.299  -3.563
   63   1HB   CYS   9          2HB       CYS   9  -2.629  -3.592  -3.885
   64   2HB   CYS   9          1HB       CYS   9  -3.571  -2.717  -2.681
   65    H    LYS  10           H        LYS  10  -4.550  -5.243  -5.494
   66    HA   LYS  10           HA       LYS  10  -3.596  -7.968  -5.380
   67   1HB   LYS  10          2HB       LYS  10  -5.509  -7.037  -6.857
   68   2HB   LYS  10          1HB       LYS  10  -4.220  -6.464  -7.907
   69   1HG   LYS  10          2HG       LYS  10  -4.139  -8.453  -8.864
   70   2HG   LYS  10          1HG       LYS  10  -3.668  -9.167  -7.321
   71   1HD   LYS  10          2HD       LYS  10  -5.598 -10.339  -8.011
   72   2HD   LYS  10          1HD       LYS  10  -6.135  -9.227  -6.751
   73   1HE   LYS  10          2HE       LYS  10  -7.644  -8.419  -8.165
   74   2HE   LYS  10          1HE       LYS  10  -6.328  -7.826  -9.179
   75   1HZ   LYS  10          1HZ       LYS  10  -6.558  -9.527 -10.629
   76   2HZ   LYS  10          2HZ       LYS  10  -8.147  -9.523 -10.051
   77   3HZ   LYS  10          3HZ       LYS  10  -7.030 -10.641  -9.447
   78    H    THR  11           H        THR  11  -2.372  -4.872  -6.022
   79    HA   THR  11           HA       THR  11   0.298  -5.867  -6.342
   80    HB   THR  11           HB       THR  11   0.464  -5.770  -8.566
   81    HG1  THR  11           1HG      THR  11   0.897  -3.852  -9.315
   82   1HG2  THR  11          1HG2      THR  11  -1.486  -4.737  -9.941
   83   2HG2  THR  11          2HG2      THR  11  -2.357  -4.843  -8.410
   84   3HG2  THR  11          3HG2      THR  11  -1.687  -6.299  -9.147
   85    H    THR  12           H        THR  12   1.705  -3.785  -6.990
   86    HA   THR  12           HA       THR  12   1.431  -2.021  -4.795
   87    HB   THR  12           HB       THR  12   3.155  -1.976  -7.256
   88    HG1  THR  12           1HG      THR  12   3.748  -3.450  -5.666
   89   1HG2  THR  12          1HG2      THR  12   2.814   0.121  -5.187
   90   2HG2  THR  12          2HG2      THR  12   3.151   0.272  -6.912
   91   3HG2  THR  12          3HG2      THR  12   4.430  -0.221  -5.803
   92    H    SER  13           H        SER  13   0.400  -1.886  -8.115
   93    HA   SER  13           HA       SER  13  -0.356   0.885  -7.936
   94   1HB   SER  13          2HB       SER  13   0.421  -0.693 -10.034
   95   2HB   SER  13          1HB       SER  13  -1.327  -0.625 -10.256
   96    HG   SER  13           HG       SER  13  -0.825   1.206 -11.190
   97    H    ASP  14           H        ASP  14  -1.631  -1.192  -6.222
   98    HA   ASP  14           HA       ASP  14  -4.417  -0.831  -7.103
   99   1HB   ASP  14          2HB       ASP  14  -3.018  -3.110  -5.786
  100   2HB   ASP  14          1HB       ASP  14  -4.697  -2.813  -5.345
  101    H    CYS  15           H        CYS  15  -2.241   0.455  -5.072
  102    HA   CYS  15           HA       CYS  15  -4.223   0.900  -2.935
  103   1HB   CYS  15          2HB       CYS  15  -1.230   1.260  -2.693
  104   2HB   CYS  15          1HB       CYS  15  -2.416   1.299  -1.394
  105    H    CYS  16           H        CYS  16  -3.950   2.998  -1.814
  106    HA   CYS  16           HA       CYS  16  -4.444   5.113  -3.510
  107   1HB   CYS  16          2HB       CYS  16  -3.525   5.274  -0.655
  108   2HB   CYS  16          1HB       CYS  16  -4.426   6.501  -1.543
  109    H    LYS  17           H        LYS  17  -2.758   7.040  -1.978
  110    HA   LYS  17           HA       LYS  17  -0.620   7.079  -3.948
  111   1HB   LYS  17          2HB       LYS  17  -2.216   9.053  -3.164
  112   2HB   LYS  17          1HB       LYS  17  -0.944   9.272  -1.967
  113   1HG   LYS  17          2HG       LYS  17   0.458  10.159  -3.456
  114   2HG   LYS  17          1HG       LYS  17   0.076   8.943  -4.676
  115   1HD   LYS  17          2HD       LYS  17  -2.111  10.809  -4.192
  116   2HD   LYS  17          1HD       LYS  17  -0.640  11.599  -4.763
  117   1HE   LYS  17          2HE       LYS  17  -1.048  10.905  -6.832
  118   2HE   LYS  17          1HE       LYS  17  -1.039   9.229  -6.285
  119   1HZ   LYS  17          1HZ       LYS  17  -3.121   9.797  -7.364
  120   2HZ   LYS  17          2HZ       LYS  17  -3.390  11.043  -6.252
  121   3HZ   LYS  17          3HZ       LYS  17  -3.382   9.434  -5.733
  122    H    HIS  18           H        HIS  18  -0.674   8.073  -0.559
  123    HA   HIS  18           HA       HIS  18   2.048   7.771  -0.182
  124   1HB   HIS  18          2HB       HIS  18  -0.169   7.761   1.853
  125   2HB   HIS  18          1HB       HIS  18   1.540   7.948   2.239
  126    HD1  HIS  18           1HD      HIS  18  -0.168  10.190   3.135
  127    HD2  HIS  18           2HD      HIS  18   1.414  10.048  -0.704
  128    HE1  HIS  18           1HE      HIS  18  -0.168  12.569   2.319
  129    HE2  HIS  18           2HE      HIS  18   0.739  12.452  -0.027
  130    H    LEU  19           H        LEU  19  -0.244   5.375  -0.501
  131    HA   LEU  19           HA       LEU  19   1.235   3.480   1.166
  132   1HB   LEU  19          2HB       LEU  19  -1.465   3.390  -0.138
  133   2HB   LEU  19          1HB       LEU  19  -0.706   1.949   0.509
  134    HG   LEU  19           HG       LEU  19  -0.593   3.984   2.496
  135   1HD1  LEU  19          1HD1      LEU  19  -3.082   3.906   0.937
  136   2HD1  LEU  19          2HD1      LEU  19  -2.421   5.176   1.964
  137   3HD1  LEU  19          3HD1      LEU  19  -3.271   3.812   2.688
  138   1HD2  LEU  19          1HD2      LEU  19  -1.324   2.308   3.849
  139   2HD2  LEU  19          2HD2      LEU  19  -0.762   1.350   2.480
  140   3HD2  LEU  19          3HD2      LEU  19  -2.478   1.703   2.663
  141    H    GLY  20           H        GLY  20   1.573   1.298   0.341
  142   1HA   GLY  20          2HA       GLY  20   1.839   0.986  -2.538
  143   2HA   GLY  20          1HA       GLY  20   3.345   0.987  -1.624
  144    H    CYS  21           H        CYS  21   1.608  -1.118  -3.140
  145    HA   CYS  21           HA       CYS  21   0.912  -3.001  -1.131
  146   1HB   CYS  21          2HB       CYS  21   0.075  -2.744  -3.609
  147   2HB   CYS  21          1HB       CYS  21   1.395  -3.858  -3.946
  148    H    LYS  22           H        LYS  22   2.252  -4.186   0.016
  149    HA   LYS  22           HA       LYS  22   4.827  -4.970  -1.183
  150   1HB   LYS  22          2HB       LYS  22   4.238  -4.531   1.750
  151   2HB   LYS  22          1HB       LYS  22   5.801  -4.922   1.044
  152   1HG   LYS  22          2HG       LYS  22   6.237  -2.785   0.670
  153   2HG   LYS  22          1HG       LYS  22   4.708  -2.567  -0.186
  154   1HD   LYS  22          2HD       LYS  22   4.644  -1.068   1.639
  155   2HD   LYS  22          1HD       LYS  22   3.611  -2.423   2.096
  156   1HE   LYS  22          2HE       LYS  22   4.879  -2.033   4.009
  157   2HE   LYS  22          1HE       LYS  22   5.713  -3.374   3.228
  158   1HZ   LYS  22          1HZ       LYS  22   6.626  -0.693   3.729
  159   2HZ   LYS  22          2HZ       LYS  22   6.921  -1.218   2.149
  160   3HZ   LYS  22          3HZ       LYS  22   7.516  -2.107   3.460
  161    H    PHE  23           H        PHE  23   4.973  -7.075  -1.580
  162    HA   PHE  23           HA       PHE  23   3.146  -9.014  -1.073
  163   1HB   PHE  23          2HB       PHE  23   6.115  -9.131  -1.439
  164   2HB   PHE  23          1HB       PHE  23   5.239 -10.606  -1.055
  165    HD1  PHE  23           1HD      PHE  23   6.858 -10.079  -3.534
  166    HD2  PHE  23           2HD      PHE  23   2.712  -9.564  -2.712
  167    HE1  PHE  23           1HE      PHE  23   6.349 -10.383  -5.920
  168    HE2  PHE  23           2HE      PHE  23   2.199  -9.863  -5.094
  169    HZ   PHE  23           HZ       PHE  23   4.017 -10.275  -6.704
  170    H    ARG  24           H        ARG  24   3.586 -11.059   0.311
  171    HA   ARG  24           HA       ARG  24   4.093 -12.053   2.344
  172   1HB   ARG  24          2HB       ARG  24   5.794 -10.085   2.598
  173   2HB   ARG  24          1HB       ARG  24   4.561  -9.394   3.643
  174   1HG   ARG  24          2HG       ARG  24   4.788 -11.051   5.234
  175   2HG   ARG  24          1HG       ARG  24   5.490 -12.196   4.089
  176   1HD   ARG  24          2HD       ARG  24   6.962  -9.674   4.674
  177   2HD   ARG  24          1HD       ARG  24   6.977 -10.959   5.881
  178    HE   ARG  24           HE       ARG  24   7.619 -11.962   3.303
  179   1HH1  ARG  24          1HH1      ARG  24   8.933 -10.168   5.984
  180   2HH1  ARG  24          2HH1      ARG  24  10.569 -10.634   5.662
  181   1HH2  ARG  24          1HH2      ARG  24   9.770 -12.584   2.871
  182   2HH2  ARG  24          2HH2      ARG  24  11.046 -12.007   3.892
  183    H    ASP  25           H        ASP  25   2.397  -8.926   2.495
  184    HA   ASP  25           HA       ASP  25   0.367 -10.233   4.182
  185   1HB   ASP  25          2HB       ASP  25   1.633  -7.601   4.303
  186   2HB   ASP  25          1HB       ASP  25  -0.125  -7.520   4.368
  187    H    LYS  26           H        LYS  26   0.924  -8.330   1.306
  188    HA   LYS  26           HA       LYS  26  -0.368  -8.248  -0.598
  189   1HB   LYS  26          2HB       LYS  26  -1.494 -10.358   0.462
  190   2HB   LYS  26          1HB       LYS  26  -2.783  -9.236   0.876
  191   1HG   LYS  26          2HG       LYS  26  -3.218  -8.751  -1.396
  192   2HG   LYS  26          1HG       LYS  26  -1.738  -9.555  -1.923
  193   1HD   LYS  26          2HD       LYS  26  -3.947 -11.013  -0.496
  194   2HD   LYS  26          1HD       LYS  26  -3.913 -10.830  -2.252
  195   1HE   LYS  26          2HE       LYS  26  -1.876 -12.039  -2.423
  196   2HE   LYS  26          1HE       LYS  26  -1.624 -11.992  -0.679
  197   1HZ   LYS  26          1HZ       LYS  26  -2.407 -14.141  -1.217
  198   2HZ   LYS  26          2HZ       LYS  26  -3.668 -13.539  -2.168
  199   3HZ   LYS  26          3HZ       LYS  26  -3.709 -13.339  -0.490
  200    H    TYR  27           H        TYR  27  -1.070  -6.862   2.418
  201    HA   TYR  27           HA       TYR  27  -3.161  -5.110   1.467
  202   1HB   TYR  27          2HB       TYR  27  -3.033  -4.065   3.678
  203   2HB   TYR  27          1HB       TYR  27  -3.155  -5.806   3.813
  204    HD1  TYR  27           1HD      TYR  27  -2.354  -4.625   6.184
  205    HD2  TYR  27           2HD      TYR  27   0.067  -5.402   2.772
  206    HE1  TYR  27           1HE      TYR  27  -0.355  -4.643   7.614
  207    HE2  TYR  27           2HE      TYR  27   2.071  -5.425   4.194
  208    HH   TYR  27           HH       TYR  27   2.847  -5.380   6.287
  209    H    CYS  28           H        CYS  28  -2.516  -2.707   2.573
  210    HA   CYS  28           HA       CYS  28  -0.233  -1.845   0.923
  211   1HB   CYS  28          2HB       CYS  28  -2.617  -0.156   1.684
  212   2HB   CYS  28          1HB       CYS  28  -1.367   0.221   0.504
  213    H    ALA  29           H        ALA  29   1.253  -0.448   1.766
  214    HA   ALA  29           HA       ALA  29   0.861   0.537   4.497
  215   1HB   ALA  29          1HB       ALA  29   2.603  -1.620   3.775
  216   2HB   ALA  29          2HB       ALA  29   2.277  -0.935   5.366
  217   3HB   ALA  29          3HB       ALA  29   3.556  -0.254   4.358
  218    H    TRP  30           H        TRP  30   2.018   2.413   4.995
  219    HA   TRP  30           HA       TRP  30   2.372   4.299   3.067
  220   1HB   TRP  30          2HB       TRP  30   3.918   4.047   5.650
  221   2HB   TRP  30          1HB       TRP  30   3.867   5.498   4.656
  222    HD1  TRP  30           HD       TRP  30   2.653   4.783   7.742
  223    HE1  TRP  30           1HE      TRP  30   0.295   5.684   8.237
  224    HE3  TRP  30           3HE      TRP  30   1.051   5.552   2.944
  225    HZ2  TRP  30           2HZ      TRP  30  -1.946   6.596   6.790
  226    HZ3  TRP  30           3HZ      TRP  30  -1.215   6.436   2.593
  227    HH2  TRP  30           HH       TRP  30  -2.682   6.946   4.473
  228    H    ASP  31           H        ASP  31   4.042   5.119   1.859
  229    HA   ASP  31           HA       ASP  31   6.704   4.399   1.902
  230   1HB   ASP  31          2HB       ASP  31   5.561   2.140   1.293
  231   2HB   ASP  31          1HB       ASP  31   5.388   2.859  -0.305
  232    H    PHE  32           H        PHE  32   6.319   6.710   1.504
  233    HA   PHE  32           HA       PHE  32   7.160   7.549  -0.953
  234   1HB   PHE  32          2HB       PHE  32   5.134   6.785  -1.987
  235   2HB   PHE  32          1HB       PHE  32   4.144   7.584  -0.770
  236    HD1  PHE  32           1HD      PHE  32   6.459   8.187  -3.590
  237    HD2  PHE  32           2HD      PHE  32   3.473   9.819  -1.033
  238    HE1  PHE  32           1HE      PHE  32   6.333  10.185  -5.020
  239    HE2  PHE  32           2HE      PHE  32   3.340  11.819  -2.460
  240    HZ   PHE  32           HZ       PHE  32   4.771  12.004  -4.456
  241    H    THR  33           H        THR  33   8.298   8.925   0.402
  242    HA   THR  33           HA       THR  33   6.748  11.226   1.376
  243    HB   THR  33           HB       THR  33   8.197  11.405   3.323
  244    HG1  THR  33           1HG      THR  33  10.004  10.369   3.416
  245   1HG2  THR  33          1HG2      THR  33   6.438   9.190   2.907
  246   2HG2  THR  33          2HG2      THR  33   6.756  10.111   4.377
  247   3HG2  THR  33          3HG2      THR  33   7.763   8.721   3.972
  248    H    PHE  34           H        PHE  34   7.762  13.242   1.226
  249    HA   PHE  34           HA       PHE  34   9.135  14.837   0.356
  250   1HB   PHE  34          2HB       PHE  34  10.886  12.755   1.208
  251   2HB   PHE  34          1HB       PHE  34  11.484  13.371  -0.328
  252    HD1  PHE  34           1HD      PHE  34  11.536  16.009  -0.495
  253    HD2  PHE  34           2HD      PHE  34  11.559  13.791   3.135
  254    HE1  PHE  34           1HE      PHE  34  12.539  17.931   0.666
  255    HE2  PHE  34           2HE      PHE  34  12.559  15.710   4.306
  256    HZ   PHE  34           HZ       PHE  34  13.051  17.784   3.072
  257    H    SER  35           H        SER  35  11.109  14.621  -1.662
  258    HA   SER  35           HA       SER  35   9.407  14.391  -3.958
  259   1HB   SER  35          2HB       SER  35  10.865  16.041  -4.478
  260   2HB   SER  35          1HB       SER  35  12.093  15.435  -3.367
  261    HG   SER  35           HG       SER  35  11.607  14.726  -6.044
  Start of MODEL    6
    1    HA   GLU   1           HA       GLU   1 -10.027   2.117  -6.122
    2   1HB   GLU   1          2HB       GLU   1  -8.469   0.735  -7.282
    3   2HB   GLU   1          1HB       GLU   1  -9.569   1.375  -8.496
    4   1HG   GLU   1          2HG       GLU   1  -6.784   2.352  -7.911
    5   2HG   GLU   1          1HG       GLU   1  -7.300   1.413  -9.311
    6   1HT   GLU   1          1HT       GLU   1 -10.429   3.289  -8.387
    7   2HT   GLU   1          2HT       GLU   1  -9.398   4.468  -7.686
    8   3HT   GLU   1          3HT       GLU   1 -10.848   4.015  -6.891
    9    H    CYS   2           H        CYS   2  -8.643   1.986  -4.424
   10    HA   CYS   2           HA       CYS   2  -6.045   2.819  -4.234
   11   1HB   CYS   2          2HB       CYS   2  -6.034   5.053  -4.165
   12   2HB   CYS   2          1HB       CYS   2  -7.760   5.071  -4.433
   13    H    ARG   3           H        ARG   3  -5.870   1.123  -2.987
   14    HA   ARG   3           HA       ARG   3  -7.460   0.731  -0.656
   15   1HB   ARG   3          2HB       ARG   3  -5.385  -0.733  -2.133
   16   2HB   ARG   3          1HB       ARG   3  -5.298  -0.952  -0.394
   17   1HG   ARG   3          2HG       ARG   3  -7.030  -2.205  -2.275
   18   2HG   ARG   3          1HG       ARG   3  -6.865  -2.512  -0.547
   19   1HD   ARG   3          2HD       ARG   3  -8.489  -0.776  -0.061
   20   2HD   ARG   3          1HD       ARG   3  -8.595  -0.362  -1.766
   21    HE   ARG   3           HE       ARG   3  -9.715  -2.427  -2.165
   22   1HH1  ARG   3          1HH1      ARG   3  -9.215  -1.748   1.236
   23   2HH1  ARG   3          2HH1      ARG   3 -10.450  -2.842   1.751
   24   1HH2  ARG   3          1HH2      ARG   3 -11.328  -3.863  -1.467
   25   2HH2  ARG   3          2HH2      ARG   3 -11.644  -4.041   0.227
   26    H    TYR   4           H        TYR   4  -7.259   2.179   0.848
   27    HA   TYR   4           HA       TYR   4  -4.995   3.668   1.496
   28   1HB   TYR   4          2HB       TYR   4  -7.543   3.769   2.306
   29   2HB   TYR   4          1HB       TYR   4  -6.873   2.917   3.692
   30    HD1  TYR   4           1HD      TYR   4  -5.567   5.705   1.571
   31    HD2  TYR   4           2HD      TYR   4  -6.665   4.382   5.463
   32    HE1  TYR   4           1HE      TYR   4  -4.793   7.844   2.510
   33    HE2  TYR   4           2HE      TYR   4  -5.899   6.516   6.412
   34    HH   TYR   4           HH       TYR   4  -5.052   9.215   4.428
   35    H    LEU   5           H        LEU   5  -4.823   3.199   4.328
   36    HA   LEU   5           HA       LEU   5  -2.781   1.193   4.342
   37   1HB   LEU   5          2HB       LEU   5  -2.808   3.321   5.718
   38   2HB   LEU   5          1HB       LEU   5  -3.989   2.534   6.749
   39    HG   LEU   5           HG       LEU   5  -2.157   0.660   6.922
   40   1HD1  LEU   5          1HD1      LEU   5  -0.265   1.112   5.855
   41   2HD1  LEU   5          2HD1      LEU   5   0.001   2.414   7.015
   42   3HD1  LEU   5          3HD1      LEU   5  -0.796   2.751   5.479
   43   1HD2  LEU   5          1HD2      LEU   5  -1.987   1.398   9.017
   44   2HD2  LEU   5          2HD2      LEU   5  -2.982   2.764   8.513
   45   3HD2  LEU   5          3HD2      LEU   5  -1.224   2.903   8.505
   46    H    PHE   6           H        PHE   6  -3.004  -0.899   4.651
   47    HA   PHE   6           HA       PHE   6  -3.709  -2.869   5.606
   48   1HB   PHE   6          2HB       PHE   6  -4.762  -1.037   7.382
   49   2HB   PHE   6          1HB       PHE   6  -6.184  -1.917   6.835
   50    HD1  PHE   6           1HD      PHE   6  -3.538  -1.876   9.136
   51    HD2  PHE   6           2HD      PHE   6  -5.940  -4.528   6.832
   52    HE1  PHE   6           1HE      PHE   6  -2.989  -3.710  10.681
   53    HE2  PHE   6           2HE      PHE   6  -5.397  -6.367   8.374
   54    HZ   PHE   6           HZ       PHE   6  -3.917  -5.958  10.303
   55    H    GLY   7           H        GLY   7  -4.676  -1.480   3.106
   56   1HA   GLY   7          2HA       GLY   7  -7.258  -2.842   2.755
   57   2HA   GLY   7          1HA       GLY   7  -6.628  -1.568   1.722
   58    H    GLY   8           H        GLY   8  -7.520  -4.546   1.437
   59   1HA   GLY   8          2HA       GLY   8  -5.333  -6.056   0.558
   60   2HA   GLY   8          1HA       GLY   8  -6.995  -6.278   0.026
   61    H    CYS   9           H        CYS   9  -4.035  -5.904  -1.141
   62    HA   CYS   9           HA       CYS   9  -4.993  -4.431  -3.507
   63   1HB   CYS   9          2HB       CYS   9  -2.512  -3.751  -3.763
   64   2HB   CYS   9          1HB       CYS   9  -3.498  -2.894  -2.587
   65    H    LYS  10           H        LYS  10  -4.515  -5.282  -5.472
   66    HA   LYS  10           HA       LYS  10  -3.602  -8.014  -5.539
   67   1HB   LYS  10          2HB       LYS  10  -4.828  -6.110  -7.458
   68   2HB   LYS  10          1HB       LYS  10  -3.828  -7.383  -8.143
   69   1HG   LYS  10          2HG       LYS  10  -5.475  -8.662  -6.289
   70   2HG   LYS  10          1HG       LYS  10  -6.514  -7.512  -7.132
   71   1HD   LYS  10          2HD       LYS  10  -6.671  -9.316  -8.539
   72   2HD   LYS  10          1HD       LYS  10  -5.299  -8.471  -9.258
   73   1HE   LYS  10          2HE       LYS  10  -3.807 -10.047  -8.595
   74   2HE   LYS  10          1HE       LYS  10  -4.690 -10.414  -7.114
   75   1HZ   LYS  10          1HZ       LYS  10  -5.284 -12.260  -8.190
   76   2HZ   LYS  10          2HZ       LYS  10  -4.868 -11.646  -9.710
   77   3HZ   LYS  10          3HZ       LYS  10  -6.374 -11.279  -9.033
   78    H    THR  11           H        THR  11  -2.334  -4.896  -6.038
   79    HA   THR  11           HA       THR  11   0.343  -5.888  -6.283
   80    HB   THR  11           HB       THR  11   0.642  -5.722  -8.492
   81    HG1  THR  11           1HG      THR  11   1.198  -3.740  -8.817
   82   1HG2  THR  11          1HG2      THR  11  -1.517  -6.423  -9.022
   83   2HG2  THR  11          2HG2      THR  11  -1.254  -4.978 -10.001
   84   3HG2  THR  11          3HG2      THR  11  -2.230  -4.885  -8.533
   85    H    THR  12           H        THR  12   1.723  -3.715  -6.943
   86    HA   THR  12           HA       THR  12   1.302  -1.988  -4.717
   87    HB   THR  12           HB       THR  12   3.233  -2.026  -7.009
   88    HG1  THR  12           1HG      THR  12   4.634  -2.557  -5.462
   89   1HG2  THR  12          1HG2      THR  12   4.335  -0.113  -5.603
   90   2HG2  THR  12          2HG2      THR  12   2.656   0.248  -5.200
   91   3HG2  THR  12          3HG2      THR  12   3.178   0.242  -6.885
   92    H    SER  13           H        SER  13   0.412  -1.955  -8.050
   93    HA   SER  13           HA       SER  13  -0.287   0.829  -8.084
   94   1HB   SER  13          2HB       SER  13  -1.119   0.323 -10.384
   95   2HB   SER  13          1HB       SER  13   0.567  -0.127 -10.132
   96    HG   SER  13           HG       SER  13  -0.936  -1.710 -11.180
   97    H    ASP  14           H        ASP  14  -1.632  -1.226  -6.279
   98    HA   ASP  14           HA       ASP  14  -4.399  -0.698  -7.127
   99   1HB   ASP  14          2HB       ASP  14  -3.110  -3.079  -5.890
  100   2HB   ASP  14          1HB       ASP  14  -4.748  -2.693  -5.376
  101    H    CYS  15           H        CYS  15  -2.244   0.646  -5.232
  102    HA   CYS  15           HA       CYS  15  -4.115   1.013  -2.990
  103   1HB   CYS  15          2HB       CYS  15  -1.133   1.438  -2.840
  104   2HB   CYS  15          1HB       CYS  15  -2.278   1.355  -1.508
  105    H    CYS  16           H        CYS  16  -3.864   3.081  -1.856
  106    HA   CYS  16           HA       CYS  16  -4.430   5.218  -3.515
  107   1HB   CYS  16          2HB       CYS  16  -3.530   5.338  -0.653
  108   2HB   CYS  16          1HB       CYS  16  -4.461   6.560  -1.519
  109    H    LYS  17           H        LYS  17  -2.762   7.116  -1.872
  110    HA   LYS  17           HA       LYS  17  -0.673   7.328  -3.879
  111   1HB   LYS  17          2HB       LYS  17  -1.905   9.193  -1.900
  112   2HB   LYS  17          1HB       LYS  17  -0.299   9.552  -2.518
  113   1HG   LYS  17          2HG       LYS  17  -1.536   9.082  -4.835
  114   2HG   LYS  17          1HG       LYS  17  -2.918   9.625  -3.879
  115   1HD   LYS  17          2HD       LYS  17  -1.890  11.506  -5.023
  116   2HD   LYS  17          1HD       LYS  17  -1.685  11.663  -3.278
  117   1HE   LYS  17          2HE       LYS  17   0.555  10.270  -4.022
  118   2HE   LYS  17          1HE       LYS  17   0.315  11.357  -5.388
  119   1HZ   LYS  17          1HZ       LYS  17   1.612  12.034  -3.162
  120   2HZ   LYS  17          2HZ       LYS  17   0.057  12.570  -2.767
  121   3HZ   LYS  17          3HZ       LYS  17   0.823  13.151  -4.158
  122    H    HIS  18           H        HIS  18  -0.630   8.134  -0.450
  123    HA   HIS  18           HA       HIS  18   2.106   7.766  -0.176
  124   1HB   HIS  18          2HB       HIS  18  -0.047   7.766   1.927
  125   2HB   HIS  18          1HB       HIS  18   1.676   7.895   2.264
  126    HD1  HIS  18           1HD      HIS  18  -1.200   9.948   1.861
  127    HD2  HIS  18           2HD      HIS  18   2.797  10.286   0.775
  128    HE1  HIS  18           1HE      HIS  18  -0.820  12.399   1.446
  129    HE2  HIS  18           2HE      HIS  18   1.609  12.583   0.805
  130    H    LEU  19           H        LEU  19  -0.258   5.447  -0.486
  131    HA   LEU  19           HA       LEU  19   1.167   3.474   1.125
  132   1HB   LEU  19          2HB       LEU  19  -1.506   3.459  -0.245
  133   2HB   LEU  19          1HB       LEU  19  -0.806   2.014   0.462
  134    HG   LEU  19           HG       LEU  19  -0.739   4.192   2.349
  135   1HD1  LEU  19          1HD1      LEU  19  -3.386   3.888   2.572
  136   2HD1  LEU  19          2HD1      LEU  19  -3.227   3.816   0.818
  137   3HD1  LEU  19          3HD1      LEU  19  -2.631   5.221   1.700
  138   1HD2  LEU  19          1HD2      LEU  19  -2.342   1.662   2.487
  139   2HD2  LEU  19          2HD2      LEU  19  -1.631   2.588   3.809
  140   3HD2  LEU  19          3HD2      LEU  19  -0.592   1.687   2.704
  141    H    GLY  20           H        GLY  20   1.489   1.313   0.261
  142   1HA   GLY  20          2HA       GLY  20   1.713   0.989  -2.605
  143   2HA   GLY  20          1HA       GLY  20   3.254   1.099  -1.762
  144    H    CYS  21           H        CYS  21   1.459  -1.097  -3.127
  145    HA   CYS  21           HA       CYS  21   1.091  -3.023  -1.068
  146   1HB   CYS  21          2HB       CYS  21  -0.050  -2.796  -3.428
  147   2HB   CYS  21          1HB       CYS  21   1.288  -3.819  -3.939
  148    H    LYS  22           H        LYS  22   2.636  -4.165  -0.113
  149    HA   LYS  22           HA       LYS  22   5.245  -4.373  -1.401
  150   1HB   LYS  22          2HB       LYS  22   4.872  -5.527   1.287
  151   2HB   LYS  22          1HB       LYS  22   6.151  -4.493   0.670
  152   1HG   LYS  22          2HG       LYS  22   3.972  -2.819   0.707
  153   2HG   LYS  22          1HG       LYS  22   3.745  -3.808   2.149
  154   1HD   LYS  22          2HD       LYS  22   6.434  -2.641   1.578
  155   2HD   LYS  22          1HD       LYS  22   5.169  -1.614   2.257
  156   1HE   LYS  22          2HE       LYS  22   4.873  -3.297   4.070
  157   2HE   LYS  22          1HE       LYS  22   6.266  -4.165   3.428
  158   1HZ   LYS  22          1HZ       LYS  22   6.212  -1.454   4.621
  159   2HZ   LYS  22          2HZ       LYS  22   7.535  -2.038   3.743
  160   3HZ   LYS  22          3HZ       LYS  22   7.057  -2.814   5.169
  161    H    PHE  23           H        PHE  23   6.413  -6.346  -1.487
  162    HA   PHE  23           HA       PHE  23   5.410  -8.417  -2.807
  163   1HB   PHE  23          2HB       PHE  23   7.085  -9.771  -1.055
  164   2HB   PHE  23          1HB       PHE  23   7.565  -8.981  -2.551
  165    HD1  PHE  23           1HD      PHE  23   8.912  -7.052  -2.536
  166    HD2  PHE  23           2HD      PHE  23   7.278  -8.534   1.103
  167    HE1  PHE  23           1HE      PHE  23  10.357  -5.517  -1.266
  168    HE2  PHE  23           2HE      PHE  23   8.720  -7.002   2.379
  169    HZ   PHE  23           HZ       PHE  23  10.261  -5.489   1.194
  170    H    ARG  24           H        ARG  24   3.823  -9.815  -2.583
  171    HA   ARG  24           HA       ARG  24   1.957 -10.739  -1.552
  172   1HB   ARG  24          2HB       ARG  24   4.449 -12.085  -0.596
  173   2HB   ARG  24          1HB       ARG  24   2.898 -12.615   0.040
  174   1HG   ARG  24          2HG       ARG  24   2.205 -12.762  -2.451
  175   2HG   ARG  24          1HG       ARG  24   3.943 -12.761  -2.753
  176   1HD   ARG  24          2HD       ARG  24   3.890 -14.621  -0.863
  177   2HD   ARG  24          1HD       ARG  24   2.236 -14.811  -1.446
  178    HE   ARG  24           HE       ARG  24   3.625 -14.871  -3.730
  179   1HH1  ARG  24          1HH1      ARG  24   4.101 -16.527  -0.702
  180   2HH1  ARG  24          2HH1      ARG  24   4.837 -17.915  -1.431
  181   1HH2  ARG  24          1HH2      ARG  24   4.600 -16.690  -4.696
  182   2HH2  ARG  24          2HH2      ARG  24   5.123 -18.008  -3.700
  183    H    ASP  25           H        ASP  25   2.513  -8.288  -0.265
  184    HA   ASP  25           HA       ASP  25   2.552  -8.668   2.575
  185   1HB   ASP  25          2HB       ASP  25   3.416  -6.601   1.682
  186   2HB   ASP  25          1HB       ASP  25   1.892  -6.262   0.869
  187    H    LYS  26           H        LYS  26   0.127  -8.487   0.103
  188    HA   LYS  26           HA       LYS  26  -2.063  -9.199   0.232
  189   1HB   LYS  26          2HB       LYS  26  -1.270 -10.257   2.482
  190   2HB   LYS  26          1HB       LYS  26  -2.084  -8.880   3.210
  191   1HG   LYS  26          2HG       LYS  26  -3.911  -9.888   1.375
  192   2HG   LYS  26          1HG       LYS  26  -3.191 -11.309   2.133
  193   1HD   LYS  26          2HD       LYS  26  -3.941  -9.095   3.938
  194   2HD   LYS  26          1HD       LYS  26  -5.271  -9.972   3.179
  195   1HE   LYS  26          2HE       LYS  26  -4.421 -12.068   4.041
  196   2HE   LYS  26          1HE       LYS  26  -3.013 -11.250   4.717
  197   1HZ   LYS  26          1HZ       LYS  26  -5.829 -10.764   5.528
  198   2HZ   LYS  26          2HZ       LYS  26  -4.460 -10.032   6.200
  199   3HZ   LYS  26          3HZ       LYS  26  -4.710 -11.694   6.392
  200    H    TYR  27           H        TYR  27  -0.993  -6.592   2.368
  201    HA   TYR  27           HA       TYR  27  -3.342  -5.042   1.494
  202   1HB   TYR  27          2HB       TYR  27  -3.125  -3.799   3.667
  203   2HB   TYR  27          1HB       TYR  27  -3.599  -5.480   3.831
  204    HD1  TYR  27           1HD      TYR  27  -1.192  -2.976   4.726
  205    HD2  TYR  27           2HD      TYR  27  -1.840  -7.174   4.499
  206    HE1  TYR  27           1HE      TYR  27   0.681  -3.341   6.276
  207    HE2  TYR  27           2HE      TYR  27   0.031  -7.554   6.051
  208    HH   TYR  27           HH       TYR  27   2.139  -6.301   6.734
  209    H    CYS  28           H        CYS  28  -2.664  -2.581   2.395
  210    HA   CYS  28           HA       CYS  28  -0.251  -1.958   0.826
  211   1HB   CYS  28          2HB       CYS  28  -2.626  -0.165   1.368
  212   2HB   CYS  28          1HB       CYS  28  -1.269   0.185   0.300
  213    H    ALA  29           H        ALA  29   1.387  -0.923   1.787
  214    HA   ALA  29           HA       ALA  29   0.907   0.213   4.465
  215   1HB   ALA  29          1HB       ALA  29   2.418  -1.970   4.003
  216   2HB   ALA  29          2HB       ALA  29   2.694  -0.843   5.333
  217   3HB   ALA  29          3HB       ALA  29   3.635  -0.702   3.848
  218    H    TRP  30           H        TRP  30   1.889   2.136   4.983
  219    HA   TRP  30           HA       TRP  30   2.154   4.126   3.192
  220   1HB   TRP  30          2HB       TRP  30   3.859   3.770   5.665
  221   2HB   TRP  30          1HB       TRP  30   3.646   5.286   4.796
  222    HD1  TRP  30           HD       TRP  30   2.446   3.715   7.775
  223    HE1  TRP  30           1HE      TRP  30   0.138   4.605   8.489
  224    HE3  TRP  30           3HE      TRP  30   1.073   5.998   3.412
  225    HZ2  TRP  30           2HZ      TRP  30  -1.983   6.083   7.351
  226    HZ3  TRP  30           3HZ      TRP  30  -1.111   7.126   3.308
  227    HH2  TRP  30           HH       TRP  30  -2.605   7.167   5.238
  228    H    ASP  31           H        ASP  31   3.859   5.187   2.123
  229    HA   ASP  31           HA       ASP  31   5.965   5.419   1.177
  230   1HB   ASP  31          2HB       ASP  31   6.664   3.676   3.046
  231   2HB   ASP  31          1HB       ASP  31   6.707   2.574   1.672
  232    H    PHE  32           H        PHE  32   5.120   5.627  -0.831
  233    HA   PHE  32           HA       PHE  32   4.227   3.340  -2.312
  234   1HB   PHE  32          2HB       PHE  32   3.177   5.661  -2.422
  235   2HB   PHE  32          1HB       PHE  32   4.570   6.128  -3.393
  236    HD1  PHE  32           1HD      PHE  32   2.892   2.843  -3.508
  237    HD2  PHE  32           2HD      PHE  32   3.458   6.601  -5.424
  238    HE1  PHE  32           1HE      PHE  32   1.772   1.981  -5.521
  239    HE2  PHE  32           2HE      PHE  32   2.335   5.746  -7.440
  240    HZ   PHE  32           HZ       PHE  32   1.490   3.433  -7.489
  241    H    THR  33           H        THR  33   5.313   2.262  -3.862
  242    HA   THR  33           HA       THR  33   8.112   2.999  -4.279
  243    HB   THR  33           HB       THR  33   8.349   0.724  -5.204
  244    HG1  THR  33           1HG      THR  33   6.007   0.721  -5.845
  245   1HG2  THR  33          1HG2      THR  33   8.197   1.294  -2.607
  246   2HG2  THR  33          2HG2      THR  33   8.454  -0.340  -3.220
  247   3HG2  THR  33          3HG2      THR  33   6.839   0.173  -2.731
  248    H    PHE  34           H        PHE  34   9.042   2.832  -6.438
  249    HA   PHE  34           HA       PHE  34   9.127   3.742  -8.540
  250   1HB   PHE  34          2HB       PHE  34   7.156   1.522  -8.563
  251   2HB   PHE  34          1HB       PHE  34   7.224   2.539  -9.999
  252    HD1  PHE  34           1HD      PHE  34   7.986   0.698 -11.374
  253    HD2  PHE  34           2HD      PHE  34  10.213   1.981  -7.983
  254    HE1  PHE  34           1HE      PHE  34   9.933  -0.570 -12.180
  255    HE2  PHE  34           2HE      PHE  34  12.166   0.718  -8.783
  256    HZ   PHE  34           HZ       PHE  34  12.028  -0.560 -10.883
  257    H    SER  35           H        SER  35   8.289   5.807  -7.479
  258    HA   SER  35           HA       SER  35   5.566   6.515  -8.208
  259   1HB   SER  35          2HB       SER  35   7.646   7.618  -6.439
  260   2HB   SER  35          1HB       SER  35   6.688   8.833  -7.286
  261    HG   SER  35           HG       SER  35   5.288   6.729  -6.139
  Start of MODEL    7
    1    HA   GLU   1           HA       GLU   1 -10.361   2.833  -6.073
    2   1HB   GLU   1          2HB       GLU   1 -10.015   1.504  -8.110
    3   2HB   GLU   1          1HB       GLU   1  -8.352   2.063  -8.201
    4   1HG   GLU   1          2HG       GLU   1  -8.354  -0.142  -7.302
    5   2HG   GLU   1          1HG       GLU   1  -7.922   0.979  -6.012
    6   1HT   GLU   1          1HT       GLU   1 -10.109   3.682  -8.607
    7   2HT   GLU   1          2HT       GLU   1  -9.213   4.842  -7.714
    8   3HT   GLU   1          3HT       GLU   1 -10.854   4.531  -7.318
    9    H    CYS   2           H        CYS   2  -8.871   2.280  -4.418
   10    HA   CYS   2           HA       CYS   2  -6.218   2.871  -4.206
   11   1HB   CYS   2          2HB       CYS   2  -5.989   5.091  -4.093
   12   2HB   CYS   2          1HB       CYS   2  -7.701   5.284  -4.367
   13    H    ARG   3           H        ARG   3  -6.113   1.208  -2.926
   14    HA   ARG   3           HA       ARG   3  -7.761   0.927  -0.614
   15   1HB   ARG   3          2HB       ARG   3  -5.990  -0.731  -2.178
   16   2HB   ARG   3          1HB       ARG   3  -5.586  -0.866  -0.476
   17   1HG   ARG   3          2HG       ARG   3  -7.551  -2.268  -1.844
   18   2HG   ARG   3          1HG       ARG   3  -7.326  -2.198  -0.099
   19   1HD   ARG   3          2HD       ARG   3  -8.872  -0.377   0.089
   20   2HD   ARG   3          1HD       ARG   3  -8.993  -0.239  -1.664
   21    HE   ARG   3           HE       ARG   3 -10.497  -1.975  -1.659
   22   1HH1  ARG   3          1HH1      ARG   3  -8.853  -1.872   1.409
   23   2HH1  ARG   3          2HH1      ARG   3  -9.876  -3.060   2.144
   24   1HH2  ARG   3          1HH2      ARG   3 -11.854  -3.539  -0.700
   25   2HH2  ARG   3          2HH2      ARG   3 -11.583  -4.006   0.946
   26    H    TYR   4           H        TYR   4  -7.437   2.370   0.876
   27    HA   TYR   4           HA       TYR   4  -5.080   3.708   1.480
   28   1HB   TYR   4          2HB       TYR   4  -7.632   3.906   2.349
   29   2HB   TYR   4          1HB       TYR   4  -6.903   3.136   3.755
   30    HD1  TYR   4           1HD      TYR   4  -5.982   5.873   1.372
   31    HD2  TYR   4           2HD      TYR   4  -6.280   4.597   5.420
   32    HE1  TYR   4           1HE      TYR   4  -5.139   8.059   2.117
   33    HE2  TYR   4           2HE      TYR   4  -5.437   6.779   6.177
   34    HH   TYR   4           HH       TYR   4  -5.340   9.124   5.294
   35    H    LEU   5           H        LEU   5  -4.899   3.296   4.302
   36    HA   LEU   5           HA       LEU   5  -2.862   1.360   4.408
   37   1HB   LEU   5          2HB       LEU   5  -3.772   3.400   6.037
   38   2HB   LEU   5          1HB       LEU   5  -4.074   1.959   6.988
   39    HG   LEU   5           HG       LEU   5  -1.384   2.450   5.745
   40   1HD1  LEU   5          1HD1      LEU   5  -2.138   4.417   7.148
   41   2HD1  LEU   5          2HD1      LEU   5  -0.638   3.630   7.642
   42   3HD1  LEU   5          3HD1      LEU   5  -2.133   3.314   8.523
   43   1HD2  LEU   5          1HD2      LEU   5  -2.545   0.389   7.289
   44   2HD2  LEU   5          2HD2      LEU   5  -1.362   1.209   8.309
   45   3HD2  LEU   5          3HD2      LEU   5  -0.873   0.542   6.752
   46    H    PHE   6           H        PHE   6  -2.871  -0.765   4.765
   47    HA   PHE   6           HA       PHE   6  -3.528  -2.863   5.330
   48   1HB   PHE   6          2HB       PHE   6  -5.267  -1.201   7.076
   49   2HB   PHE   6          1HB       PHE   6  -5.725  -2.885   6.853
   50    HD1  PHE   6           1HD      PHE   6  -3.973  -0.733   8.899
   51    HD2  PHE   6           2HD      PHE   6  -3.602  -4.539   7.033
   52    HE1  PHE   6           1HE      PHE   6  -2.320  -1.401  10.596
   53    HE2  PHE   6           2HE      PHE   6  -1.953  -5.217   8.730
   54    HZ   PHE   6           HZ       PHE   6  -1.311  -3.645  10.514
   55    H    GLY   7           H        GLY   7  -4.721  -1.276   3.033
   56   1HA   GLY   7          2HA       GLY   7  -7.307  -2.585   2.707
   57   2HA   GLY   7          1HA       GLY   7  -6.593  -1.404   1.620
   58    H    GLY   8           H        GLY   8  -7.748  -4.254   1.364
   59   1HA   GLY   8          2HA       GLY   8  -5.732  -6.027   0.586
   60   2HA   GLY   8          1HA       GLY   8  -7.381  -6.046  -0.026
   61    H    CYS   9           H        CYS   9  -4.306  -5.980  -1.024
   62    HA   CYS   9           HA       CYS   9  -5.033  -4.674  -3.541
   63   1HB   CYS   9          2HB       CYS   9  -2.905  -3.462  -3.624
   64   2HB   CYS   9          1HB       CYS   9  -3.857  -2.971  -2.227
   65    H    LYS  10           H        LYS  10  -4.340  -5.737  -5.297
   66    HA   LYS  10           HA       LYS  10  -2.745  -8.143  -4.902
   67   1HB   LYS  10          2HB       LYS  10  -4.455  -7.106  -7.139
   68   2HB   LYS  10          1HB       LYS  10  -3.282  -8.380  -7.442
   69   1HG   LYS  10          2HG       LYS  10  -5.400  -8.578  -5.318
   70   2HG   LYS  10          1HG       LYS  10  -5.631  -9.139  -6.975
   71   1HD   LYS  10          2HD       LYS  10  -3.201 -10.241  -6.212
   72   2HD   LYS  10          1HD       LYS  10  -4.213 -10.385  -4.775
   73   1HE   LYS  10          2HE       LYS  10  -5.783 -11.097  -7.031
   74   2HE   LYS  10          1HE       LYS  10  -4.252 -11.960  -7.142
   75   1HZ   LYS  10          1HZ       LYS  10  -6.406 -12.659  -5.605
   76   2HZ   LYS  10          2HZ       LYS  10  -5.304 -12.016  -4.493
   77   3HZ   LYS  10          3HZ       LYS  10  -4.844 -13.300  -5.492
   78    H    THR  11           H        THR  11  -2.375  -4.941  -5.892
   79    HA   THR  11           HA       THR  11   0.361  -5.476  -6.741
   80    HB   THR  11           HB       THR  11  -0.540  -3.511  -8.528
   81    HG1  THR  11           1HG      THR  11  -2.216  -4.710  -9.601
   82   1HG2  THR  11          1HG2      THR  11  -0.307  -5.392 -10.222
   83   2HG2  THR  11          2HG2      THR  11   0.179  -6.389  -8.851
   84   3HG2  THR  11          3HG2      THR  11   1.114  -4.953  -9.272
   85    H    THR  12           H        THR  12   1.636  -3.472  -6.948
   86    HA   THR  12           HA       THR  12   1.257  -1.797  -4.705
   87    HB   THR  12           HB       THR  12   3.105  -1.697  -7.074
   88    HG1  THR  12           1HG      THR  12   4.637  -2.066  -5.383
   89   1HG2  THR  12          1HG2      THR  12   2.556   0.430  -5.135
   90   2HG2  THR  12          2HG2      THR  12   3.288   0.503  -6.738
   91   3HG2  THR  12          3HG2      THR  12   4.256   0.012  -5.348
   92    H    SER  13           H        SER  13   0.445  -1.573  -8.073
   93    HA   SER  13           HA       SER  13  -0.325   1.186  -7.939
   94   1HB   SER  13          2HB       SER  13  -1.302   0.584 -10.275
   95   2HB   SER  13          1HB       SER  13   0.449   0.611 -10.066
   96    HG   SER  13           HG       SER  13  -0.265  -1.279 -11.144
   97    H    ASP  14           H        ASP  14  -1.656  -1.316  -6.508
   98    HA   ASP  14           HA       ASP  14  -4.422  -0.756  -7.300
   99   1HB   ASP  14          2HB       ASP  14  -3.173  -3.012  -5.733
  100   2HB   ASP  14          1HB       ASP  14  -4.915  -2.788  -5.854
  101    H    CYS  15           H        CYS  15  -2.297   0.466  -5.158
  102    HA   CYS  15           HA       CYS  15  -4.368   0.877  -3.097
  103   1HB   CYS  15          2HB       CYS  15  -1.375   1.113  -2.710
  104   2HB   CYS  15          1HB       CYS  15  -2.608   1.178  -1.453
  105    H    CYS  16           H        CYS  16  -3.959   2.921  -1.833
  106    HA   CYS  16           HA       CYS  16  -4.414   5.108  -3.447
  107   1HB   CYS  16          2HB       CYS  16  -3.463   5.107  -0.597
  108   2HB   CYS  16          1HB       CYS  16  -4.292   6.427  -1.422
  109    H    LYS  17           H        LYS  17  -2.675   6.974  -1.956
  110    HA   LYS  17           HA       LYS  17  -0.552   6.956  -3.940
  111   1HB   LYS  17          2HB       LYS  17  -1.672   9.026  -2.087
  112   2HB   LYS  17          1HB       LYS  17  -0.098   9.268  -2.834
  113   1HG   LYS  17          2HG       LYS  17  -0.983   9.732  -4.835
  114   2HG   LYS  17          1HG       LYS  17  -2.202   8.463  -4.702
  115   1HD   LYS  17          2HD       LYS  17  -3.754   9.956  -4.145
  116   2HD   LYS  17          1HD       LYS  17  -2.762  10.539  -2.807
  117   1HE   LYS  17          2HE       LYS  17  -1.619  11.533  -5.191
  118   2HE   LYS  17          1HE       LYS  17  -3.356  11.808  -5.298
  119   1HZ   LYS  17          1HZ       LYS  17  -2.280  13.676  -4.252
  120   2HZ   LYS  17          2HZ       LYS  17  -1.578  12.677  -3.082
  121   3HZ   LYS  17          3HZ       LYS  17  -3.256  12.888  -3.115
  122    H    HIS  18           H        HIS  18  -0.546   7.960  -0.553
  123    HA   HIS  18           HA       HIS  18   2.171   7.589  -0.209
  124   1HB   HIS  18          2HB       HIS  18  -0.077   7.738   1.778
  125   2HB   HIS  18          1HB       HIS  18   1.613   7.653   2.265
  126    HD1  HIS  18           1HD      HIS  18   3.146   9.680   1.241
  127    HD2  HIS  18           2HD      HIS  18  -0.969  10.260   1.322
  128    HE1  HIS  18           1HE      HIS  18   2.812  12.163   1.003
  129    HE2  HIS  18           2HE      HIS  18   0.314  12.486   1.005
  130    H    LEU  19           H        LEU  19  -0.217   5.261  -0.452
  131    HA   LEU  19           HA       LEU  19   1.201   3.327   1.205
  132   1HB   LEU  19          2HB       LEU  19  -1.449   3.297  -0.205
  133   2HB   LEU  19          1HB       LEU  19  -0.738   1.830   0.435
  134    HG   LEU  19           HG       LEU  19  -0.800   4.004   2.373
  135   1HD1  LEU  19          1HD1      LEU  19  -3.242   3.755   2.787
  136   2HD1  LEU  19          2HD1      LEU  19  -3.368   2.967   1.215
  137   3HD1  LEU  19          3HD1      LEU  19  -2.829   4.643   1.323
  138   1HD2  LEU  19          1HD2      LEU  19  -2.076   1.310   2.603
  139   2HD2  LEU  19          2HD2      LEU  19  -1.339   2.304   3.860
  140   3HD2  LEU  19          3HD2      LEU  19  -0.323   1.501   2.666
  141    H    GLY  20           H        GLY  20   1.700   1.213   0.420
  142   1HA   GLY  20          2HA       GLY  20   2.065   0.931  -2.467
  143   2HA   GLY  20          1HA       GLY  20   3.501   0.878  -1.455
  144    H    CYS  21           H        CYS  21   1.483  -1.056  -3.053
  145    HA   CYS  21           HA       CYS  21   0.822  -3.028  -1.151
  146   1HB   CYS  21          2HB       CYS  21  -0.089  -2.641  -3.572
  147   2HB   CYS  21          1HB       CYS  21   1.232  -3.708  -4.040
  148    H    LYS  22           H        LYS  22   2.533  -3.706   0.073
  149    HA   LYS  22           HA       LYS  22   4.980  -4.585  -1.220
  150   1HB   LYS  22          2HB       LYS  22   4.197  -4.637   1.701
  151   2HB   LYS  22          1HB       LYS  22   5.798  -4.974   1.059
  152   1HG   LYS  22          2HG       LYS  22   5.927  -2.673   0.212
  153   2HG   LYS  22          1HG       LYS  22   4.341  -2.344   0.912
  154   1HD   LYS  22          2HD       LYS  22   5.744  -1.559   2.563
  155   2HD   LYS  22          1HD       LYS  22   5.448  -3.212   3.109
  156   1HE   LYS  22          2HE       LYS  22   7.624  -3.442   1.410
  157   2HE   LYS  22          1HE       LYS  22   7.925  -1.940   2.283
  158   1HZ   LYS  22          1HZ       LYS  22   8.847  -3.465   3.690
  159   2HZ   LYS  22          2HZ       LYS  22   7.734  -4.681   3.311
  160   3HZ   LYS  22          3HZ       LYS  22   7.279  -3.404   4.325
  161    H    PHE  23           H        PHE  23   5.904  -6.736  -0.412
  162    HA   PHE  23           HA       PHE  23   3.936  -8.768  -0.956
  163   1HB   PHE  23          2HB       PHE  23   6.699  -9.626  -0.455
  164   2HB   PHE  23          1HB       PHE  23   5.631 -10.000  -1.803
  165    HD1  PHE  23           1HD      PHE  23   8.082  -7.612  -0.483
  166    HD2  PHE  23           2HD      PHE  23   5.652  -8.690  -3.804
  167    HE1  PHE  23           1HE      PHE  23   9.347  -6.055  -1.908
  168    HE2  PHE  23           2HE      PHE  23   6.913  -7.137  -5.236
  169    HZ   PHE  23           HZ       PHE  23   8.765  -5.817  -4.288
  170    H    ARG  24           H        ARG  24   3.458  -7.680   1.491
  171    HA   ARG  24           HA       ARG  24   4.544  -9.607   3.425
  172   1HB   ARG  24          2HB       ARG  24   3.499  -6.829   3.648
  173   2HB   ARG  24          1HB       ARG  24   3.256  -7.905   5.017
  174   1HG   ARG  24          2HG       ARG  24   5.303  -7.422   5.700
  175   2HG   ARG  24          1HG       ARG  24   5.936  -8.218   4.258
  176   1HD   ARG  24          2HD       ARG  24   6.558  -6.276   3.366
  177   2HD   ARG  24          1HD       ARG  24   4.969  -5.566   3.648
  178    HE   ARG  24           HE       ARG  24   5.794  -4.549   5.529
  179   1HH1  ARG  24          1HH1      ARG  24   8.012  -7.026   4.496
  180   2HH1  ARG  24          2HH1      ARG  24   9.257  -6.556   5.606
  181   1HH2  ARG  24          1HH2      ARG  24   7.430  -3.916   6.988
  182   2HH2  ARG  24          2HH2      ARG  24   8.926  -4.789   7.022
  183    H    ASP  25           H        ASP  25   1.550  -7.867   3.899
  184    HA   ASP  25           HA       ASP  25   0.121 -10.443   3.873
  185   1HB   ASP  25          2HB       ASP  25  -0.549  -7.910   5.389
  186   2HB   ASP  25          1HB       ASP  25  -1.481  -9.403   5.433
  187    H    LYS  26           H        LYS  26   0.468  -9.326   1.457
  188    HA   LYS  26           HA       LYS  26  -0.519  -8.294  -0.341
  189   1HB   LYS  26          2HB       LYS  26  -2.860  -9.195  -0.709
  190   2HB   LYS  26          1HB       LYS  26  -1.592 -10.390  -0.478
  191   1HG   LYS  26          2HG       LYS  26  -2.350 -10.980   1.630
  192   2HG   LYS  26          1HG       LYS  26  -3.245  -9.472   1.837
  193   1HD   LYS  26          2HD       LYS  26  -5.071 -10.279   0.811
  194   2HD   LYS  26          1HD       LYS  26  -4.124 -11.066  -0.454
  195   1HE   LYS  26          2HE       LYS  26  -3.818 -12.998   0.808
  196   2HE   LYS  26          1HE       LYS  26  -4.195 -12.181   2.325
  197   1HZ   LYS  26          1HZ       LYS  26  -5.913 -13.716   0.925
  198   2HZ   LYS  26          2HZ       LYS  26  -6.354 -12.163   0.415
  199   3HZ   LYS  26          3HZ       LYS  26  -6.370 -12.547   2.061
  200    H    TYR  27           H        TYR  27  -0.573  -6.600   2.037
  201    HA   TYR  27           HA       TYR  27  -3.073  -5.131   1.519
  202   1HB   TYR  27          2HB       TYR  27  -2.630  -4.024   3.753
  203   2HB   TYR  27          1HB       TYR  27  -3.077  -5.716   3.814
  204    HD1  TYR  27           1HD      TYR  27   0.310  -5.001   2.741
  205    HD2  TYR  27           2HD      TYR  27  -2.166  -5.692   6.132
  206    HE1  TYR  27           1HE      TYR  27   2.305  -5.453   4.100
  207    HE2  TYR  27           2HE      TYR  27  -0.174  -6.148   7.499
  208    HH   TYR  27           HH       TYR  27   2.089  -5.966   7.575
  209    H    CYS  28           H        CYS  28  -2.489  -2.692   2.518
  210    HA   CYS  28           HA       CYS  28  -0.280  -1.789   0.794
  211   1HB   CYS  28          2HB       CYS  28  -2.689  -0.149   1.574
  212   2HB   CYS  28          1HB       CYS  28  -1.510   0.192   0.313
  213    H    ALA  29           H        ALA  29   1.359  -0.781   1.746
  214    HA   ALA  29           HA       ALA  29   0.928   0.417   4.407
  215   1HB   ALA  29          1HB       ALA  29   2.178  -1.782   4.419
  216   2HB   ALA  29          2HB       ALA  29   2.989  -0.422   5.195
  217   3HB   ALA  29          3HB       ALA  29   3.483  -0.940   3.584
  218    H    TRP  30           H        TRP  30   2.013   2.331   4.850
  219    HA   TRP  30           HA       TRP  30   2.359   4.192   2.914
  220   1HB   TRP  30          2HB       TRP  30   3.951   3.989   5.476
  221   2HB   TRP  30          1HB       TRP  30   3.838   5.432   4.476
  222    HD1  TRP  30           HD       TRP  30   2.679   4.644   7.593
  223    HE1  TRP  30           1HE      TRP  30   0.309   5.496   8.119
  224    HE3  TRP  30           3HE      TRP  30   1.036   5.478   2.822
  225    HZ2  TRP  30           2HZ      TRP  30  -1.954   6.402   6.703
  226    HZ3  TRP  30           3HZ      TRP  30  -1.246   6.338   2.497
  227    HH2  TRP  30           HH       TRP  30  -2.709   6.789   4.398
  228    H    ASP  31           H        ASP  31   4.032   5.049   1.714
  229    HA   ASP  31           HA       ASP  31   6.086   5.172   0.684
  230   1HB   ASP  31          2HB       ASP  31   6.778   3.936   3.002
  231   2HB   ASP  31          1HB       ASP  31   7.196   2.692   1.828
  232    H    PHE  32           H        PHE  32   5.299   4.721  -1.319
  233    HA   PHE  32           HA       PHE  32   4.802   2.007  -2.118
  234   1HB   PHE  32          2HB       PHE  32   4.188   3.027  -4.317
  235   2HB   PHE  32          1HB       PHE  32   3.253   3.634  -2.957
  236    HD1  PHE  32           1HD      PHE  32   3.823   5.879  -1.995
  237    HD2  PHE  32           2HD      PHE  32   5.464   4.470  -5.661
  238    HE1  PHE  32           1HE      PHE  32   4.416   8.186  -2.611
  239    HE2  PHE  32           2HE      PHE  32   6.061   6.776  -6.282
  240    HZ   PHE  32           HZ       PHE  32   5.538   8.637  -4.756
  241    H    THR  33           H        THR  33   7.338   2.036  -1.406
  242    HA   THR  33           HA       THR  33   8.882   2.257  -3.899
  243    HB   THR  33           HB       THR  33  10.238   1.961  -1.263
  244    HG1  THR  33           1HG      THR  33  10.082   4.209  -0.939
  245   1HG2  THR  33          1HG2      THR  33  11.712   3.735  -2.351
  246   2HG2  THR  33          2HG2      THR  33  10.838   3.361  -3.838
  247   3HG2  THR  33          3HG2      THR  33  11.759   2.102  -3.015
  248    H    PHE  34           H        PHE  34   7.724   0.157  -1.477
  249    HA   PHE  34           HA       PHE  34   8.078  -2.059  -0.989
  250   1HB   PHE  34          2HB       PHE  34   7.934  -3.495  -3.056
  251   2HB   PHE  34          1HB       PHE  34   6.661  -2.290  -2.897
  252    HD1  PHE  34           1HD      PHE  34   9.959  -2.861  -4.518
  253    HD2  PHE  34           2HD      PHE  34   6.218  -0.835  -4.640
  254    HE1  PHE  34           1HE      PHE  34  10.504  -1.995  -6.756
  255    HE2  PHE  34           2HE      PHE  34   6.757   0.035  -6.878
  256    HZ   PHE  34           HZ       PHE  34   8.902  -0.545  -7.940
  257    H    SER  35           H        SER  35   9.419  -4.112  -2.118
  258    HA   SER  35           HA       SER  35  12.179  -3.296  -2.563
  259   1HB   SER  35          2HB       SER  35  13.025  -4.777  -0.778
  260   2HB   SER  35          1HB       SER  35  12.023  -3.479  -0.124
  261    HG   SER  35           HG       SER  35  10.284  -5.231  -0.427
  Start of MODEL    8
    1    HA   GLU   1           HA       GLU   1 -11.190   3.124  -5.159
    2   1HB   GLU   1          2HB       GLU   1 -12.449   1.115  -5.826
    3   2HB   GLU   1          1HB       GLU   1 -11.026   0.126  -5.537
    4   1HG   GLU   1          2HG       GLU   1 -11.140   0.443  -3.220
    5   2HG   GLU   1          1HG       GLU   1 -12.252   1.801  -3.376
    6   1HT   GLU   1          1HT       GLU   1 -10.367   3.338  -7.171
    7   2HT   GLU   1          2HT       GLU   1 -11.104   1.810  -7.426
    8   3HT   GLU   1          3HT       GLU   1  -9.428   1.909  -7.075
    9    H    CYS   2           H        CYS   2  -8.778   3.904  -5.284
   10    HA   CYS   2           HA       CYS   2  -6.584   2.498  -4.503
   11   1HB   CYS   2          2HB       CYS   2  -5.635   4.500  -4.105
   12   2HB   CYS   2          1HB       CYS   2  -7.106   5.117  -4.825
   13    H    ARG   3           H        ARG   3  -6.235   1.136  -3.016
   14    HA   ARG   3           HA       ARG   3  -7.816   0.990  -0.639
   15   1HB   ARG   3          2HB       ARG   3  -6.099  -0.755  -2.172
   16   2HB   ARG   3          1HB       ARG   3  -5.660  -0.816  -0.473
   17   1HG   ARG   3          2HG       ARG   3  -7.621  -2.304  -1.686
   18   2HG   ARG   3          1HG       ARG   3  -7.454  -2.041   0.048
   19   1HD   ARG   3          2HD       ARG   3  -9.072  -0.351   0.062
   20   2HD   ARG   3          1HD       ARG   3  -8.980  -0.126  -1.683
   21    HE   ARG   3           HE       ARG   3 -10.535  -1.781  -1.930
   22   1HH1  ARG   3          1HH1      ARG   3  -9.109  -2.057   1.235
   23   2HH1  ARG   3          2HH1      ARG   3 -10.201  -3.295   1.761
   24   1HH2  ARG   3          1HH2      ARG   3 -11.982  -3.406  -1.245
   25   2HH2  ARG   3          2HH2      ARG   3 -11.833  -4.061   0.352
   26    H    TYR   4           H        TYR   4  -7.440   2.367   0.883
   27    HA   TYR   4           HA       TYR   4  -5.046   3.728   1.356
   28   1HB   TYR   4          2HB       TYR   4  -7.537   4.027   2.286
   29   2HB   TYR   4          1HB       TYR   4  -6.841   3.185   3.668
   30    HD1  TYR   4           1HD      TYR   4  -6.605   4.801   5.331
   31    HD2  TYR   4           2HD      TYR   4  -5.310   5.689   1.377
   32    HE1  TYR   4           1HE      TYR   4  -5.630   6.913   6.130
   33    HE2  TYR   4           2HE      TYR   4  -4.332   7.802   2.163
   34    HH   TYR   4           HH       TYR   4  -3.608   8.886   4.105
   35    H    LEU   5           H        LEU   5  -4.737   3.331   4.180
   36    HA   LEU   5           HA       LEU   5  -2.816   1.235   4.163
   37   1HB   LEU   5          2HB       LEU   5  -2.779   3.356   5.575
   38   2HB   LEU   5          1HB       LEU   5  -3.925   2.549   6.630
   39    HG   LEU   5           HG       LEU   5  -2.183   0.679   6.822
   40   1HD1  LEU   5          1HD1      LEU   5   0.164   1.532   6.504
   41   2HD1  LEU   5          2HD1      LEU   5  -0.528   2.848   5.556
   42   3HD1  LEU   5          3HD1      LEU   5  -0.728   1.178   5.024
   43   1HD2  LEU   5          1HD2      LEU   5  -1.387   3.352   7.953
   44   2HD2  LEU   5          2HD2      LEU   5  -1.095   1.755   8.643
   45   3HD2  LEU   5          3HD2      LEU   5  -2.737   2.395   8.561
   46    H    PHE   6           H        PHE   6  -3.011  -0.845   4.582
   47    HA   PHE   6           HA       PHE   6  -3.773  -2.802   5.513
   48   1HB   PHE   6          2HB       PHE   6  -4.843  -0.924   7.255
   49   2HB   PHE   6          1HB       PHE   6  -6.250  -1.836   6.716
   50    HD1  PHE   6           1HD      PHE   6  -4.680  -4.459   6.289
   51    HD2  PHE   6           2HD      PHE   6  -4.906  -1.694   9.516
   52    HE1  PHE   6           1HE      PHE   6  -4.118  -6.261   7.866
   53    HE2  PHE   6           2HE      PHE   6  -4.345  -3.490  11.099
   54    HZ   PHE   6           HZ       PHE   6  -3.951  -5.778  10.276
   55    H    GLY   7           H        GLY   7  -4.768  -1.305   3.029
   56   1HA   GLY   7          2HA       GLY   7  -7.340  -2.665   2.647
   57   2HA   GLY   7          1HA       GLY   7  -6.683  -1.398   1.622
   58    H    GLY   8           H        GLY   8  -7.510  -4.493   1.537
   59   1HA   GLY   8          2HA       GLY   8  -5.421  -6.016   0.606
   60   2HA   GLY   8          1HA       GLY   8  -7.072  -6.166   0.022
   61    H    CYS   9           H        CYS   9  -4.130  -6.037  -1.118
   62    HA   CYS   9           HA       CYS   9  -4.961  -4.694  -3.573
   63   1HB   CYS   9          2HB       CYS   9  -2.738  -3.538  -3.723
   64   2HB   CYS   9          1HB       CYS   9  -3.797  -2.920  -2.460
   65    H    LYS  10           H        LYS  10  -4.328  -5.747  -5.361
   66    HA   LYS  10           HA       LYS  10  -2.842  -8.200  -5.071
   67   1HB   LYS  10          2HB       LYS  10  -4.691  -7.092  -6.973
   68   2HB   LYS  10          1HB       LYS  10  -3.246  -7.641  -7.810
   69   1HG   LYS  10          2HG       LYS  10  -3.728  -9.801  -7.481
   70   2HG   LYS  10          1HG       LYS  10  -4.281  -9.532  -5.828
   71   1HD   LYS  10          2HD       LYS  10  -6.404  -9.603  -6.491
   72   2HD   LYS  10          1HD       LYS  10  -6.114  -8.316  -7.661
   73   1HE   LYS  10          2HE       LYS  10  -6.683  -9.926  -9.142
   74   2HE   LYS  10          1HE       LYS  10  -4.985 -10.370  -8.966
   75   1HZ   LYS  10          1HZ       LYS  10  -6.946 -12.103  -8.663
   76   2HZ   LYS  10          2HZ       LYS  10  -6.862 -11.547  -7.068
   77   3HZ   LYS  10          3HZ       LYS  10  -5.493 -12.223  -7.800
   78    H    THR  11           H        THR  11  -2.231  -4.971  -5.949
   79    HA   THR  11           HA       THR  11   0.585  -5.549  -6.314
   80    HB   THR  11           HB       THR  11   0.618  -5.354  -8.535
   81    HG1  THR  11           1HG      THR  11   0.183  -3.297  -9.437
   82   1HG2  THR  11          1HG2      THR  11  -2.188  -4.316  -8.659
   83   2HG2  THR  11          2HG2      THR  11  -1.816  -6.030  -8.467
   84   3HG2  THR  11          3HG2      THR  11  -1.273  -5.165  -9.905
   85    H    THR  12           H        THR  12   1.643  -3.270  -6.943
   86    HA   THR  12           HA       THR  12   1.114  -1.604  -4.676
   87    HB   THR  12           HB       THR  12   3.046  -1.510  -6.966
   88    HG1  THR  12           1HG      THR  12   3.564  -2.746  -5.135
   89   1HG2  THR  12          1HG2      THR  12   2.381   0.736  -5.120
   90   2HG2  THR  12          2HG2      THR  12   2.713   0.766  -6.852
   91   3HG2  THR  12          3HG2      THR  12   4.029   0.508  -5.706
   92    H    SER  13           H        SER  13   0.236  -1.594  -8.030
   93    HA   SER  13           HA       SER  13  -0.655   1.128  -8.037
   94   1HB   SER  13          2HB       SER  13   0.238  -0.041 -10.071
   95   2HB   SER  13          1HB       SER  13  -1.229  -1.018 -10.083
   96    HG   SER  13           HG       SER  13  -1.241   0.917 -11.441
   97    H    ASP  14           H        ASP  14  -1.823  -1.413  -6.481
   98    HA   ASP  14           HA       ASP  14  -4.642  -0.938  -7.133
   99   1HB   ASP  14          2HB       ASP  14  -3.136  -3.191  -5.882
  100   2HB   ASP  14          1HB       ASP  14  -4.817  -2.957  -5.414
  101    H    CYS  15           H        CYS  15  -2.600   0.630  -5.333
  102    HA   CYS  15           HA       CYS  15  -4.483   0.928  -3.093
  103   1HB   CYS  15          2HB       CYS  15  -1.482   1.233  -2.877
  104   2HB   CYS  15          1HB       CYS  15  -2.644   1.276  -1.556
  105    H    CYS  16           H        CYS  16  -3.659   3.007  -1.823
  106    HA   CYS  16           HA       CYS  16  -4.281   5.188  -3.535
  107   1HB   CYS  16          2HB       CYS  16  -3.489   5.195  -0.639
  108   2HB   CYS  16          1HB       CYS  16  -4.256   6.521  -1.515
  109    H    LYS  17           H        LYS  17  -2.617   7.067  -1.968
  110    HA   LYS  17           HA       LYS  17  -0.438   7.091  -3.885
  111   1HB   LYS  17          2HB       LYS  17  -0.695   9.261  -1.883
  112   2HB   LYS  17          1HB       LYS  17  -0.355   9.352  -3.607
  113   1HG   LYS  17          2HG       LYS  17  -2.438  10.119  -3.796
  114   2HG   LYS  17          1HG       LYS  17  -2.936   8.442  -3.571
  115   1HD   LYS  17          2HD       LYS  17  -3.311   8.774  -1.250
  116   2HD   LYS  17          1HD       LYS  17  -2.510  10.347  -1.277
  117   1HE   LYS  17          2HE       LYS  17  -4.469  10.693  -3.137
  118   2HE   LYS  17          1HE       LYS  17  -5.258   9.608  -1.995
  119   1HZ   LYS  17          1HZ       LYS  17  -4.772  11.151  -0.219
  120   2HZ   LYS  17          2HZ       LYS  17  -5.622  11.944  -1.448
  121   3HZ   LYS  17          3HZ       LYS  17  -3.955  12.181  -1.286
  122    H    HIS  18           H        HIS  18  -0.529   8.021  -0.480
  123    HA   HIS  18           HA       HIS  18   2.178   7.669  -0.057
  124   1HB   HIS  18          2HB       HIS  18  -0.194   7.896   1.726
  125   2HB   HIS  18          1HB       HIS  18   1.357   7.456   2.435
  126    HD1  HIS  18           1HD      HIS  18   2.124   9.539   3.559
  127    HD2  HIS  18           2HD      HIS  18   0.688  10.264  -0.271
  128    HE1  HIS  18           1HE      HIS  18   2.591  11.969   3.116
  129    HE2  HIS  18           2HE      HIS  18   1.691  12.393   0.801
  130    H    LEU  19           H        LEU  19  -0.173   5.334  -0.478
  131    HA   LEU  19           HA       LEU  19   1.209   3.337   1.127
  132   1HB   LEU  19          2HB       LEU  19  -1.404   3.360  -0.340
  133   2HB   LEU  19          1HB       LEU  19  -0.721   1.880   0.307
  134    HG   LEU  19           HG       LEU  19  -0.797   4.073   2.234
  135   1HD1  LEU  19          1HD1      LEU  19  -3.260   3.773   2.613
  136   2HD1  LEU  19          2HD1      LEU  19  -3.333   3.038   1.012
  137   3HD1  LEU  19          3HD1      LEU  19  -2.812   4.713   1.191
  138   1HD2  LEU  19          1HD2      LEU  19  -1.355   2.381   3.725
  139   2HD2  LEU  19          2HD2      LEU  19  -0.304   1.581   2.557
  140   3HD2  LEU  19          3HD2      LEU  19  -2.052   1.368   2.464
  141    H    GLY  20           H        GLY  20   1.995   1.438   0.379
  142   1HA   GLY  20          2HA       GLY  20   2.306   1.091  -2.520
  143   2HA   GLY  20          1HA       GLY  20   3.732   1.073  -1.487
  144    H    CYS  21           H        CYS  21   1.624  -0.885  -3.035
  145    HA   CYS  21           HA       CYS  21   1.144  -2.862  -1.056
  146   1HB   CYS  21          2HB       CYS  21  -0.099  -2.440  -3.297
  147   2HB   CYS  21          1HB       CYS  21   1.169  -3.442  -3.993
  148    H    LYS  22           H        LYS  22   2.328  -4.597  -0.458
  149    HA   LYS  22           HA       LYS  22   5.040  -4.775  -1.464
  150   1HB   LYS  22          2HB       LYS  22   3.767  -6.571   0.593
  151   2HB   LYS  22          1HB       LYS  22   5.476  -6.239   0.363
  152   1HG   LYS  22          2HG       LYS  22   5.302  -4.108   1.307
  153   2HG   LYS  22          1HG       LYS  22   3.545  -4.078   1.136
  154   1HD   LYS  22          2HD       LYS  22   3.998  -6.304   2.704
  155   2HD   LYS  22          1HD       LYS  22   5.198  -5.148   3.284
  156   1HE   LYS  22          2HE       LYS  22   3.013  -3.562   3.099
  157   2HE   LYS  22          1HE       LYS  22   2.262  -5.106   3.494
  158   1HZ   LYS  22          1HZ       LYS  22   2.949  -3.615   5.413
  159   2HZ   LYS  22          2HZ       LYS  22   4.542  -4.050   5.053
  160   3HZ   LYS  22          3HZ       LYS  22   3.422  -5.237   5.498
  161    H    PHE  23           H        PHE  23   5.972  -6.793  -2.198
  162    HA   PHE  23           HA       PHE  23   4.960  -7.922  -4.375
  163   1HB   PHE  23          2HB       PHE  23   6.901  -8.766  -2.406
  164   2HB   PHE  23          1HB       PHE  23   6.073 -10.157  -3.099
  165    HD1  PHE  23           1HD      PHE  23   6.227 -10.635  -5.483
  166    HD2  PHE  23           2HD      PHE  23   8.372  -7.405  -3.727
  167    HE1  PHE  23           1HE      PHE  23   7.647 -10.494  -7.486
  168    HE2  PHE  23           2HE      PHE  23   9.797  -7.260  -5.728
  169    HZ   PHE  23           HZ       PHE  23   9.434  -8.805  -7.612
  170    H    ARG  24           H        ARG  24   2.748  -8.165  -4.415
  171    HA   ARG  24           HA       ARG  24   0.670  -9.015  -3.858
  172   1HB   ARG  24          2HB       ARG  24   2.506 -11.128  -4.772
  173   2HB   ARG  24          1HB       ARG  24   1.043 -11.712  -3.991
  174   1HG   ARG  24          2HG       ARG  24   0.011 -11.477  -5.935
  175   2HG   ARG  24          1HG       ARG  24   0.175  -9.730  -5.744
  176   1HD   ARG  24          2HD       ARG  24   1.814  -9.593  -7.280
  177   2HD   ARG  24          1HD       ARG  24   2.576 -11.089  -6.745
  178    HE   ARG  24           HE       ARG  24   0.533 -10.796  -8.792
  179   1HH1  ARG  24          1HH1      ARG  24   2.391 -12.946  -6.770
  180   2HH1  ARG  24          2HH1      ARG  24   2.125 -14.328  -7.778
  181   1HH2  ARG  24          1HH2      ARG  24   0.181 -12.611 -10.123
  182   2HH2  ARG  24          2HH2      ARG  24   0.869 -14.139  -9.682
  183    H    ASP  25           H        ASP  25   2.135  -8.404  -1.487
  184    HA   ASP  25           HA       ASP  25   2.167 -10.493   0.380
  185   1HB   ASP  25          2HB       ASP  25   2.207  -7.536   0.498
  186   2HB   ASP  25          1HB       ASP  25   1.704  -8.365   1.968
  187    H    LYS  26           H        LYS  26  -0.143  -7.799   0.636
  188    HA   LYS  26           HA       LYS  26  -2.473  -9.349   0.423
  189   1HB   LYS  26          2HB       LYS  26  -1.727 -10.450   2.441
  190   2HB   LYS  26          1HB       LYS  26  -1.484  -8.902   3.241
  191   1HG   LYS  26          2HG       LYS  26  -3.719  -8.577   3.594
  192   2HG   LYS  26          1HG       LYS  26  -4.194  -9.557   2.205
  193   1HD   LYS  26          2HD       LYS  26  -4.765 -10.685   4.284
  194   2HD   LYS  26          1HD       LYS  26  -3.518 -11.582   3.413
  195   1HE   LYS  26          2HE       LYS  26  -1.837 -10.909   4.895
  196   2HE   LYS  26          1HE       LYS  26  -2.813  -9.590   5.544
  197   1HZ   LYS  26          1HZ       LYS  26  -3.490 -12.456   5.903
  198   2HZ   LYS  26          2HZ       LYS  26  -4.196 -11.129   6.678
  199   3HZ   LYS  26          3HZ       LYS  26  -2.598 -11.559   7.026
  200    H    TYR  27           H        TYR  27  -1.182  -6.699   2.450
  201    HA   TYR  27           HA       TYR  27  -3.433  -5.055   1.492
  202   1HB   TYR  27          2HB       TYR  27  -3.231  -3.795   3.639
  203   2HB   TYR  27          1HB       TYR  27  -3.734  -5.466   3.836
  204    HD1  TYR  27           1HD      TYR  27  -2.049  -7.161   4.630
  205    HD2  TYR  27           2HD      TYR  27  -1.266  -2.980   4.656
  206    HE1  TYR  27           1HE      TYR  27  -0.215  -7.519   6.228
  207    HE2  TYR  27           2HE      TYR  27   0.573  -3.327   6.248
  208    HH   TYR  27           HH       TYR  27   1.275  -6.535   7.572
  209    H    CYS  28           H        CYS  28  -2.750  -2.625   2.302
  210    HA   CYS  28           HA       CYS  28  -0.338  -2.049   0.726
  211   1HB   CYS  28          2HB       CYS  28  -2.525  -0.112   1.476
  212   2HB   CYS  28          1HB       CYS  28  -1.303   0.081   0.223
  213    H    ALA  29           H        ALA  29   1.371  -1.019   1.610
  214    HA   ALA  29           HA       ALA  29   1.069  -0.021   4.370
  215   1HB   ALA  29          1HB       ALA  29   3.490  -1.372   3.187
  216   2HB   ALA  29          2HB       ALA  29   2.349  -2.105   4.315
  217   3HB   ALA  29          3HB       ALA  29   3.346  -0.743   4.828
  218    H    TRP  30           H        TRP  30   2.048   1.893   4.896
  219    HA   TRP  30           HA       TRP  30   2.271   3.905   3.090
  220   1HB   TRP  30          2HB       TRP  30   3.796   3.534   5.669
  221   2HB   TRP  30          1HB       TRP  30   3.811   5.036   4.750
  222    HD1  TRP  30           HD       TRP  30   2.373   4.065   7.740
  223    HE1  TRP  30           1HE      TRP  30   0.019   5.020   8.148
  224    HE3  TRP  30           3HE      TRP  30   1.186   5.395   2.944
  225    HZ2  TRP  30           2HZ      TRP  30  -2.063   6.183   6.641
  226    HZ3  TRP  30           3HZ      TRP  30  -1.007   6.421   2.514
  227    HH2  TRP  30           HH       TRP  30  -2.598   6.807   4.327
  228    H    ASP  31           H        ASP  31   3.965   4.982   2.040
  229    HA   ASP  31           HA       ASP  31   6.261   5.201   1.386
  230   1HB   ASP  31          2HB       ASP  31   6.977   3.206   2.685
  231   2HB   ASP  31          1HB       ASP  31   6.325   2.182   1.409
  232    H    PHE  32           H        PHE  32   5.330   6.090  -0.390
  233    HA   PHE  32           HA       PHE  32   3.921   4.780  -2.385
  234   1HB   PHE  32          2HB       PHE  32   4.044   7.240  -2.136
  235   2HB   PHE  32          1HB       PHE  32   5.707   7.195  -2.715
  236    HD1  PHE  32           1HD      PHE  32   5.825   8.120  -4.815
  237    HD2  PHE  32           2HD      PHE  32   2.569   5.544  -3.875
  238    HE1  PHE  32           1HE      PHE  32   5.023   8.289  -7.135
  239    HE2  PHE  32           2HE      PHE  32   1.765   5.707  -6.194
  240    HZ   PHE  32           HZ       PHE  32   2.992   7.082  -7.827
  241    H    THR  33           H        THR  33   4.461   3.692  -4.196
  242    HA   THR  33           HA       THR  33   5.701   2.563  -5.737
  243    HB   THR  33           HB       THR  33   7.771   3.385  -6.444
  244    HG1  THR  33           1HG      THR  33   9.052   4.725  -4.978
  245   1HG2  THR  33          1HG2      THR  33   5.850   5.333  -5.677
  246   2HG2  THR  33          2HG2      THR  33   7.003   5.371  -7.011
  247   3HG2  THR  33          3HG2      THR  33   7.467   5.990  -5.427
  248    H    PHE  34           H        PHE  34   8.347   1.625  -5.589
  249    HA   PHE  34           HA       PHE  34   8.925   0.437  -3.077
  250   1HB   PHE  34          2HB       PHE  34   7.182  -1.076  -3.302
  251   2HB   PHE  34          1HB       PHE  34   7.305  -1.118  -5.058
  252    HD1  PHE  34           1HD      PHE  34   8.631  -2.729  -6.152
  253    HD2  PHE  34           2HD      PHE  34   8.859  -2.299  -1.926
  254    HE1  PHE  34           1HE      PHE  34   9.927  -4.814  -6.014
  255    HE2  PHE  34           2HE      PHE  34  10.158  -4.383  -1.779
  256    HZ   PHE  34           HZ       PHE  34  10.694  -5.644  -3.825
  257    H    SER  35           H        SER  35   9.106  -0.755  -6.433
  258    HA   SER  35           HA       SER  35  10.886  -1.006  -7.846
  259   1HB   SER  35          2HB       SER  35  12.871   0.136  -5.949
  260   2HB   SER  35          1HB       SER  35  12.680   0.408  -7.679
  261    HG   SER  35           HG       SER  35  11.520   1.719  -5.535
  Start of MODEL    9
    1    HA   GLU   1           HA       GLU   1  -9.555   2.648  -7.225
    2   1HB   GLU   1          2HB       GLU   1 -11.903   3.676  -7.303
    3   2HB   GLU   1          1HB       GLU   1 -11.475   4.489  -5.805
    4   1HG   GLU   1          2HG       GLU   1 -10.394   6.067  -6.909
    5   2HG   GLU   1          1HG       GLU   1  -9.396   4.868  -7.732
    6   1HT   GLU   1          1HT       GLU   1 -11.043   1.725  -4.936
    7   2HT   GLU   1          2HT       GLU   1 -10.483   0.881  -6.324
    8   3HT   GLU   1          3HT       GLU   1 -11.903   1.842  -6.414
    9    H    CYS   2           H        CYS   2  -7.865   1.960  -5.794
   10    HA   CYS   2           HA       CYS   2  -6.125   2.546  -4.424
   11   1HB   CYS   2          2HB       CYS   2  -5.902   4.751  -4.204
   12   2HB   CYS   2          1HB       CYS   2  -7.569   4.976  -4.664
   13    H    ARG   3           H        ARG   3  -5.565   1.827  -2.516
   14    HA   ARG   3           HA       ARG   3  -7.630   1.267  -0.553
   15   1HB   ARG   3          2HB       ARG   3  -5.914  -0.556  -1.995
   16   2HB   ARG   3          1HB       ARG   3  -5.627  -0.682  -0.265
   17   1HG   ARG   3          2HG       ARG   3  -7.522  -2.070  -1.576
   18   2HG   ARG   3          1HG       ARG   3  -7.632  -1.637   0.132
   19   1HD   ARG   3          2HD       ARG   3  -9.076   0.140  -0.283
   20   2HD   ARG   3          1HD       ARG   3  -8.639   0.215  -1.988
   21    HE   ARG   3           HE       ARG   3 -10.117  -2.106  -0.937
   22   1HH1  ARG   3          1HH1      ARG   3  -9.973   0.656  -3.085
   23   2HH1  ARG   3          2HH1      ARG   3 -11.374   0.177  -3.978
   24   1HH2  ARG   3          1HH2      ARG   3 -11.959  -2.714  -2.117
   25   2HH2  ARG   3          2HH2      ARG   3 -12.498  -1.725  -3.433
   26    H    TYR   4           H        TYR   4  -7.307   2.620   0.965
   27    HA   TYR   4           HA       TYR   4  -4.905   3.841   1.653
   28   1HB   TYR   4          2HB       TYR   4  -7.534   4.003   2.534
   29   2HB   TYR   4          1HB       TYR   4  -6.652   3.457   3.957
   30    HD1  TYR   4           1HD      TYR   4  -5.936   5.866   1.189
   31    HD2  TYR   4           2HD      TYR   4  -6.146   5.197   5.385
   32    HE1  TYR   4           1HE      TYR   4  -5.175   8.170   1.586
   33    HE2  TYR   4           2HE      TYR   4  -5.388   7.502   5.794
   34    HH   TYR   4           HH       TYR   4  -4.973   9.503   4.854
   35    H    LEU   5           H        LEU   5  -4.611   3.449   4.407
   36    HA   LEU   5           HA       LEU   5  -2.788   1.335   4.507
   37   1HB   LEU   5          2HB       LEU   5  -3.314   3.431   6.099
   38   2HB   LEU   5          1HB       LEU   5  -4.067   2.161   7.044
   39    HG   LEU   5           HG       LEU   5  -1.816   2.494   7.827
   40   1HD1  LEU   5          1HD1      LEU   5  -1.194   0.295   7.945
   41   2HD1  LEU   5          2HD1      LEU   5  -1.530  -0.006   6.239
   42   3HD1  LEU   5          3HD1      LEU   5  -2.860   0.124   7.390
   43   1HD2  LEU   5          1HD2      LEU   5  -0.552   1.608   5.307
   44   2HD2  LEU   5          2HD2      LEU   5   0.018   2.749   6.526
   45   3HD2  LEU   5          3HD2      LEU   5  -1.181   3.255   5.336
   46    H    PHE   6           H        PHE   6  -2.959  -0.793   4.855
   47    HA   PHE   6           HA       PHE   6  -3.785  -2.811   5.570
   48   1HB   PHE   6          2HB       PHE   6  -4.905  -1.072   7.367
   49   2HB   PHE   6          1HB       PHE   6  -6.329  -1.822   6.658
   50    HD1  PHE   6           1HD      PHE   6  -7.173  -3.531   7.915
   51    HD2  PHE   6           2HD      PHE   6  -2.953  -3.002   7.745
   52    HE1  PHE   6           1HE      PHE   6  -6.873  -5.481   9.384
   53    HE2  PHE   6           2HE      PHE   6  -2.646  -4.953   9.212
   54    HZ   PHE   6           HZ       PHE   6  -4.608  -6.195  10.035
   55    H    GLY   7           H        GLY   7  -4.760  -1.095   3.148
   56   1HA   GLY   7          2HA       GLY   7  -7.289  -2.412   2.563
   57   2HA   GLY   7          1HA       GLY   7  -6.486  -1.210   1.563
   58    H    GLY   8           H        GLY   8  -7.481  -4.267   1.490
   59   1HA   GLY   8          2HA       GLY   8  -5.333  -5.842   0.682
   60   2HA   GLY   8          1HA       GLY   8  -6.988  -6.057   0.132
   61    H    CYS   9           H        CYS   9  -4.060  -5.910  -1.055
   62    HA   CYS   9           HA       CYS   9  -4.947  -4.595  -3.522
   63   1HB   CYS   9          2HB       CYS   9  -2.615  -3.647  -3.764
   64   2HB   CYS   9          1HB       CYS   9  -3.609  -2.902  -2.517
   65    H    LYS  10           H        LYS  10  -4.286  -5.554  -5.386
   66    HA   LYS  10           HA       LYS  10  -3.035  -8.160  -5.133
   67   1HB   LYS  10          2HB       LYS  10  -4.492  -6.721  -7.322
   68   2HB   LYS  10          1HB       LYS  10  -3.495  -8.119  -7.707
   69   1HG   LYS  10          2HG       LYS  10  -5.198  -8.717  -5.478
   70   2HG   LYS  10          1HG       LYS  10  -6.152  -8.095  -6.825
   71   1HD   LYS  10          2HD       LYS  10  -6.015 -10.087  -7.799
   72   2HD   LYS  10          1HD       LYS  10  -4.267  -9.879  -7.922
   73   1HE   LYS  10          2HE       LYS  10  -3.879 -11.372  -6.308
   74   2HE   LYS  10          1HE       LYS  10  -5.101 -10.664  -5.253
   75   1HZ   LYS  10          1HZ       LYS  10  -5.678 -12.921  -5.802
   76   2HZ   LYS  10          2HZ       LYS  10  -5.593 -12.591  -7.458
   77   3HZ   LYS  10          3HZ       LYS  10  -6.797 -11.872  -6.514
   78    H    THR  11           H        THR  11  -2.264  -4.977  -6.043
   79    HA   THR  11           HA       THR  11   0.499  -5.719  -6.521
   80    HB   THR  11           HB       THR  11   0.451  -5.475  -8.741
   81    HG1  THR  11           1HG      THR  11   0.913  -3.492  -9.139
   82   1HG2  THR  11          1HG2      THR  11  -2.399  -4.894  -8.243
   83   2HG2  THR  11          2HG2      THR  11  -1.648  -6.090  -9.301
   84   3HG2  THR  11          3HG2      THR  11  -1.729  -4.398  -9.797
   85    H    THR  12           H        THR  12   1.657  -3.478  -7.142
   86    HA   THR  12           HA       THR  12   1.287  -1.844  -4.818
   87    HB   THR  12           HB       THR  12   3.147  -1.770  -7.172
   88    HG1  THR  12           1HG      THR  12   3.248  -2.865  -4.828
   89   1HG2  THR  12          1HG2      THR  12   2.776   0.380  -5.121
   90   2HG2  THR  12          2HG2      THR  12   2.832   0.530  -6.877
   91   3HG2  THR  12          3HG2      THR  12   4.297   0.132  -5.979
   92    H    SER  13           H        SER  13   0.348  -1.703  -8.155
   93    HA   SER  13           HA       SER  13  -0.431   1.057  -8.042
   94   1HB   SER  13          2HB       SER  13   0.007   0.790 -10.230
   95   2HB   SER  13          1HB       SER  13  -0.111  -0.966 -10.112
   96    HG   SER  13           HG       SER  13  -1.766  -0.313 -11.416
   97    H    ASP  14           H        ASP  14  -1.694  -1.444  -6.562
   98    HA   ASP  14           HA       ASP  14  -4.485  -0.931  -7.293
   99   1HB   ASP  14          2HB       ASP  14  -3.088  -3.158  -5.846
  100   2HB   ASP  14          1HB       ASP  14  -4.818  -2.915  -5.631
  101    H    CYS  15           H        CYS  15  -2.287   0.330  -5.221
  102    HA   CYS  15           HA       CYS  15  -4.292   0.749  -3.110
  103   1HB   CYS  15          2HB       CYS  15  -1.309   1.186  -2.858
  104   2HB   CYS  15          1HB       CYS  15  -2.497   1.198  -1.561
  105    H    CYS  16           H        CYS  16  -3.762   2.876  -1.891
  106    HA   CYS  16           HA       CYS  16  -4.372   4.995  -3.636
  107   1HB   CYS  16          2HB       CYS  16  -3.592   5.165  -0.745
  108   2HB   CYS  16          1HB       CYS  16  -4.535   6.336  -1.665
  109    H    LYS  17           H        LYS  17  -2.829   6.955  -2.037
  110    HA   LYS  17           HA       LYS  17  -0.591   7.056  -3.887
  111   1HB   LYS  17          2HB       LYS  17  -2.039   9.017  -2.191
  112   2HB   LYS  17          1HB       LYS  17  -0.359   9.365  -2.570
  113   1HG   LYS  17          2HG       LYS  17  -1.425   8.646  -5.009
  114   2HG   LYS  17          1HG       LYS  17  -2.723   9.558  -4.238
  115   1HD   LYS  17          2HD       LYS  17  -1.624  11.497  -4.443
  116   2HD   LYS  17          1HD       LYS  17  -0.103  10.789  -3.895
  117   1HE   LYS  17          2HE       LYS  17   0.148  11.587  -6.158
  118   2HE   LYS  17          1HE       LYS  17   0.223   9.826  -6.142
  119   1HZ   LYS  17          1HZ       LYS  17  -2.369  11.108  -6.616
  120   2HZ   LYS  17          2HZ       LYS  17  -1.774   9.637  -7.198
  121   3HZ   LYS  17          3HZ       LYS  17  -1.240  11.090  -7.876
  122    H    HIS  18           H        HIS  18  -0.849   7.979  -0.482
  123    HA   HIS  18           HA       HIS  18   1.854   7.797   0.040
  124   1HB   HIS  18          2HB       HIS  18  -0.541   7.696   1.844
  125   2HB   HIS  18          1HB       HIS  18   1.102   7.666   2.477
  126    HD1  HIS  18           1HD      HIS  18   1.133   9.934   3.573
  127    HD2  HIS  18           2HD      HIS  18  -0.055  10.087  -0.407
  128    HE1  HIS  18           1HE      HIS  18   1.054  12.379   2.988
  129    HE2  HIS  18           2HE      HIS  18   0.318  12.450   0.580
  130    H    LEU  19           H        LEU  19  -0.297   5.298  -0.487
  131    HA   LEU  19           HA       LEU  19   1.196   3.408   1.166
  132   1HB   LEU  19          2HB       LEU  19  -1.438   3.278  -0.258
  133   2HB   LEU  19          1HB       LEU  19  -0.651   1.826   0.334
  134    HG   LEU  19           HG       LEU  19  -0.638   3.684   2.456
  135   1HD1  LEU  19          1HD1      LEU  19  -3.184   3.641   0.902
  136   2HD1  LEU  19          2HD1      LEU  19  -2.365   4.995   1.680
  137   3HD1  LEU  19          3HD1      LEU  19  -3.214   3.797   2.658
  138   1HD2  LEU  19          1HD2      LEU  19  -2.655   1.586   2.546
  139   2HD2  LEU  19          2HD2      LEU  19  -1.260   1.865   3.585
  140   3HD2  LEU  19          3HD2      LEU  19  -1.065   1.024   2.049
  141    H    GLY  20           H        GLY  20   1.522   1.224   0.247
  142   1HA   GLY  20          2HA       GLY  20   1.966   1.012  -2.598
  143   2HA   GLY  20          1HA       GLY  20   3.440   1.075  -1.638
  144    H    CYS  21           H        CYS  21   1.638  -1.041  -3.183
  145    HA   CYS  21           HA       CYS  21   1.245  -3.033  -1.174
  146   1HB   CYS  21          2HB       CYS  21  -0.025  -2.639  -3.437
  147   2HB   CYS  21          1HB       CYS  21   1.239  -3.675  -4.089
  148    H    LYS  22           H        LYS  22   2.462  -4.828  -0.743
  149    HA   LYS  22           HA       LYS  22   5.193  -4.772  -1.768
  150   1HB   LYS  22          2HB       LYS  22   3.981  -5.461   0.728
  151   2HB   LYS  22          1HB       LYS  22   4.843  -6.865   0.119
  152   1HG   LYS  22          2HG       LYS  22   6.389  -5.710   1.445
  153   2HG   LYS  22          1HG       LYS  22   6.828  -5.324  -0.221
  154   1HD   LYS  22          2HD       LYS  22   6.806  -3.192   0.475
  155   2HD   LYS  22          1HD       LYS  22   5.050  -3.336   0.373
  156   1HE   LYS  22          2HE       LYS  22   5.777  -2.397   2.524
  157   2HE   LYS  22          1HE       LYS  22   4.936  -3.935   2.721
  158   1HZ   LYS  22          1HZ       LYS  22   7.695  -4.410   2.421
  159   2HZ   LYS  22          2HZ       LYS  22   6.702  -4.752   3.747
  160   3HZ   LYS  22          3HZ       LYS  22   7.471  -3.249   3.634
  161    H    PHE  23           H        PHE  23   6.253  -6.894  -2.217
  162    HA   PHE  23           HA       PHE  23   5.380  -8.149  -4.409
  163   1HB   PHE  23          2HB       PHE  23   6.646 -10.181  -3.684
  164   2HB   PHE  23          1HB       PHE  23   7.542  -8.678  -3.490
  165    HD1  PHE  23           1HD      PHE  23   6.202 -11.579  -1.854
  166    HD2  PHE  23           2HD      PHE  23   7.724  -7.658  -1.204
  167    HE1  PHE  23           1HE      PHE  23   6.585 -12.125   0.514
  168    HE2  PHE  23           2HE      PHE  23   8.111  -8.196   1.164
  169    HZ   PHE  23           HZ       PHE  23   7.541 -10.433   2.026
  170    H    ARG  24           H        ARG  24   3.168  -8.447  -4.544
  171    HA   ARG  24           HA       ARG  24   1.089  -9.319  -4.044
  172   1HB   ARG  24          2HB       ARG  24   1.121 -11.805  -4.212
  173   2HB   ARG  24          1HB       ARG  24   1.999 -10.988  -5.496
  174   1HG   ARG  24          2HG       ARG  24   4.066 -11.651  -4.681
  175   2HG   ARG  24          1HG       ARG  24   3.433 -11.970  -3.066
  176   1HD   ARG  24          2HD       ARG  24   2.674 -14.036  -3.622
  177   2HD   ARG  24          1HD       ARG  24   2.286 -13.565  -5.274
  178    HE   ARG  24           HE       ARG  24   4.459 -14.081  -5.920
  179   1HH1  ARG  24          1HH1      ARG  24   4.076 -14.403  -2.470
  180   2HH1  ARG  24          2HH1      ARG  24   5.548 -15.290  -2.262
  181   1HH2  ARG  24          1HH2      ARG  24   6.404 -15.239  -5.650
  182   2HH2  ARG  24          2HH2      ARG  24   6.873 -15.761  -4.065
  183    H    ASP  25           H        ASP  25   2.274  -8.356  -1.724
  184    HA   ASP  25           HA       ASP  25   2.384 -10.146   0.423
  185   1HB   ASP  25          2HB       ASP  25   2.356  -7.270   0.057
  186   2HB   ASP  25          1HB       ASP  25   1.427  -7.736   1.479
  187    H    LYS  26           H        LYS  26  -0.136  -7.695   0.452
  188    HA   LYS  26           HA       LYS  26  -2.378  -9.284   0.072
  189   1HB   LYS  26          2HB       LYS  26  -1.158 -10.173   2.323
  190   2HB   LYS  26          1HB       LYS  26  -2.219  -8.948   3.004
  191   1HG   LYS  26          2HG       LYS  26  -4.146 -10.052   2.304
  192   2HG   LYS  26          1HG       LYS  26  -3.271 -11.026   1.121
  193   1HD   LYS  26          2HD       LYS  26  -3.197 -12.649   2.648
  194   2HD   LYS  26          1HD       LYS  26  -2.088 -11.633   3.574
  195   1HE   LYS  26          2HE       LYS  26  -4.043 -10.588   4.678
  196   2HE   LYS  26          1HE       LYS  26  -5.094 -11.710   3.817
  197   1HZ   LYS  26          1HZ       LYS  26  -4.482 -13.432   5.125
  198   2HZ   LYS  26          2HZ       LYS  26  -4.177 -12.195   6.238
  199   3HZ   LYS  26          3HZ       LYS  26  -2.903 -12.867   5.354
  200    H    TYR  27           H        TYR  27  -1.090  -6.770   2.236
  201    HA   TYR  27           HA       TYR  27  -3.449  -5.131   1.560
  202   1HB   TYR  27          2HB       TYR  27  -3.126  -3.981   3.732
  203   2HB   TYR  27          1HB       TYR  27  -3.483  -5.688   3.923
  204    HD1  TYR  27           1HD      TYR  27  -1.022  -3.062   4.415
  205    HD2  TYR  27           2HD      TYR  27  -1.706  -7.256   4.624
  206    HE1  TYR  27           1HE      TYR  27   1.005  -3.319   5.787
  207    HE2  TYR  27           2HE      TYR  27   0.314  -7.524   5.997
  208    HH   TYR  27           HH       TYR  27   2.025  -4.814   7.304
  209    H    CYS  28           H        CYS  28  -2.685  -2.731   2.472
  210    HA   CYS  28           HA       CYS  28  -0.343  -2.094   0.808
  211   1HB   CYS  28          2HB       CYS  28  -2.636  -0.253   1.508
  212   2HB   CYS  28          1HB       CYS  28  -1.343   0.052   0.351
  213    H    ALA  29           H        ALA  29   1.305  -0.963   1.661
  214    HA   ALA  29           HA       ALA  29   0.984   0.060   4.408
  215   1HB   ALA  29          1HB       ALA  29   3.185  -1.604   3.241
  216   2HB   ALA  29          2HB       ALA  29   2.283  -1.841   4.737
  217   3HB   ALA  29          3HB       ALA  29   3.479  -0.550   4.623
  218    H    TRP  30           H        TRP  30   2.146   1.933   4.942
  219    HA   TRP  30           HA       TRP  30   2.298   3.927   3.068
  220   1HB   TRP  30          2HB       TRP  30   3.956   3.669   5.585
  221   2HB   TRP  30          1HB       TRP  30   3.722   5.158   4.674
  222    HD1  TRP  30           HD       TRP  30   2.595   3.873   7.730
  223    HE1  TRP  30           1HE      TRP  30   0.211   4.618   8.347
  224    HE3  TRP  30           3HE      TRP  30   1.016   5.425   3.122
  225    HZ2  TRP  30           2HZ      TRP  30  -2.042   5.716   7.052
  226    HZ3  TRP  30           3HZ      TRP  30  -1.271   6.309   2.897
  227    HH2  TRP  30           HH       TRP  30  -2.765   6.449   4.823
  228    H    ASP  31           H        ASP  31   4.004   4.985   1.988
  229    HA   ASP  31           HA       ASP  31   6.628   4.538   1.827
  230   1HB   ASP  31          2HB       ASP  31   6.530   2.202   1.574
  231   2HB   ASP  31          1HB       ASP  31   5.171   2.290   0.458
  232    H    PHE  32           H        PHE  32   6.860   6.428   0.880
  233    HA   PHE  32           HA       PHE  32   7.287   7.565  -1.185
  234   1HB   PHE  32          2HB       PHE  32   5.928   5.736  -2.411
  235   2HB   PHE  32          1HB       PHE  32   4.539   6.781  -2.129
  236    HD1  PHE  32           1HD      PHE  32   3.945   7.712  -4.141
  237    HD2  PHE  32           2HD      PHE  32   8.060   7.539  -3.078
  238    HE1  PHE  32           1HE      PHE  32   4.517   8.987  -6.165
  239    HE2  PHE  32           2HE      PHE  32   8.642   8.814  -5.099
  240    HZ   PHE  32           HZ       PHE  32   6.867   9.540  -6.648
  241    H    THR  33           H        THR  33   7.179   9.624  -0.620
  242    HA   THR  33           HA       THR  33   4.590  10.686   0.294
  243    HB   THR  33           HB       THR  33   7.361  11.413   1.248
  244    HG1  THR  33           1HG      THR  33   6.684   9.562   2.234
  245   1HG2  THR  33          1HG2      THR  33   4.703  12.550   2.082
  246   2HG2  THR  33          2HG2      THR  33   6.018  13.408   1.277
  247   3HG2  THR  33          3HG2      THR  33   6.232  12.809   2.922
  248    H    PHE  34           H        PHE  34   7.024  10.913  -2.010
  249    HA   PHE  34           HA       PHE  34   6.015  13.551  -2.844
  250   1HB   PHE  34          2HB       PHE  34   8.237  14.150  -3.657
  251   2HB   PHE  34          1HB       PHE  34   8.285  13.800  -1.933
  252    HD1  PHE  34           1HD      PHE  34   9.445  11.861  -1.090
  253    HD2  PHE  34           2HD      PHE  34   9.288  12.676  -5.263
  254    HE1  PHE  34           1HE      PHE  34  11.251  10.235  -1.471
  255    HE2  PHE  34           2HE      PHE  34  11.095  11.052  -5.652
  256    HZ   PHE  34           HZ       PHE  34  12.079   9.830  -3.754
  257    H    SER  35           H        SER  35   4.930  13.344  -4.664
  258    HA   SER  35           HA       SER  35   5.706  11.242  -6.565
  259   1HB   SER  35          2HB       SER  35   3.488  10.815  -6.334
  260   2HB   SER  35          1HB       SER  35   3.133  12.444  -5.758
  261    HG   SER  35           HG       SER  35   2.736  11.443  -8.177
  Start of MODEL   10
    1    HA   GLU   1           HA       GLU   1 -10.936   2.327  -5.359
    2   1HB   GLU   1          2HB       GLU   1 -10.454   3.989  -7.709
    3   2HB   GLU   1          1HB       GLU   1  -8.996   3.185  -7.148
    4   1HG   GLU   1          2HG       GLU   1 -11.556   1.689  -7.575
    5   2HG   GLU   1          1HG       GLU   1 -10.420   1.990  -8.887
    6   1HT   GLU   1          1HT       GLU   1 -12.471   3.865  -6.178
    7   2HT   GLU   1          2HT       GLU   1 -11.329   5.144  -6.101
    8   3HT   GLU   1          3HT       GLU   1 -11.919   4.428  -4.657
    9    H    CYS   2           H        CYS   2  -8.375   2.078  -5.303
   10    HA   CYS   2           HA       CYS   2  -6.344   2.648  -4.394
   11   1HB   CYS   2          2HB       CYS   2  -5.843   4.813  -4.253
   12   2HB   CYS   2          1HB       CYS   2  -7.493   5.153  -4.704
   13    H    ARG   3           H        ARG   3  -6.176   1.112  -3.028
   14    HA   ARG   3           HA       ARG   3  -7.714   0.910  -0.642
   15   1HB   ARG   3          2HB       ARG   3  -5.616  -0.670  -2.025
   16   2HB   ARG   3          1HB       ARG   3  -5.739  -0.894  -0.287
   17   1HG   ARG   3          2HG       ARG   3  -7.459  -1.857  -2.431
   18   2HG   ARG   3          1HG       ARG   3  -7.252  -2.462  -0.790
   19   1HD   ARG   3          2HD       ARG   3  -8.742  -0.701   0.040
   20   2HD   ARG   3          1HD       ARG   3  -8.948  -0.102  -1.605
   21    HE   ARG   3           HE       ARG   3  -9.739  -2.639  -1.870
   22   1HH1  ARG   3          1HH1      ARG   3 -10.534  -0.231   0.518
   23   2HH1  ARG   3          2HH1      ARG   3 -12.110  -0.877   0.831
   24   1HH2  ARG   3          1HH2      ARG   3 -11.809  -3.497  -1.465
   25   2HH2  ARG   3          2HH2      ARG   3 -12.836  -2.734  -0.297
   26    H    TYR   4           H        TYR   4  -7.404   2.311   0.876
   27    HA   TYR   4           HA       TYR   4  -5.062   3.759   1.378
   28   1HB   TYR   4          2HB       TYR   4  -7.605   3.947   2.254
   29   2HB   TYR   4          1HB       TYR   4  -6.867   3.206   3.670
   30    HD1  TYR   4           1HD      TYR   4  -6.929   4.970   5.221
   31    HD2  TYR   4           2HD      TYR   4  -5.305   5.642   1.345
   32    HE1  TYR   4           1HE      TYR   4  -6.114   7.173   5.951
   33    HE2  TYR   4           2HE      TYR   4  -4.485   7.846   2.064
   34    HH   TYR   4           HH       TYR   4  -3.856   8.950   4.267
   35    H    LEU   5           H        LEU   5  -4.829   3.416   4.208
   36    HA   LEU   5           HA       LEU   5  -2.786   1.483   4.341
   37   1HB   LEU   5          2HB       LEU   5  -3.681   3.555   5.941
   38   2HB   LEU   5          1HB       LEU   5  -3.980   2.128   6.916
   39    HG   LEU   5           HG       LEU   5  -1.377   3.257   5.972
   40   1HD1  LEU   5          1HD1      LEU   5  -0.806   2.548   8.357
   41   2HD1  LEU   5          2HD1      LEU   5  -2.539   2.296   8.568
   42   3HD1  LEU   5          3HD1      LEU   5  -1.926   3.897   8.156
   43   1HD2  LEU   5          1HD2      LEU   5  -0.364   1.056   6.762
   44   2HD2  LEU   5          2HD2      LEU   5  -1.119   1.066   5.168
   45   3HD2  LEU   5          3HD2      LEU   5  -1.973   0.369   6.543
   46    H    PHE   6           H        PHE   6  -2.865  -0.652   4.569
   47    HA   PHE   6           HA       PHE   6  -3.526  -2.736   5.183
   48   1HB   PHE   6          2HB       PHE   6  -5.594  -1.292   6.851
   49   2HB   PHE   6          1HB       PHE   6  -5.263  -3.019   6.921
   50    HD1  PHE   6           1HD      PHE   6  -4.716  -0.084   8.585
   51    HD2  PHE   6           2HD      PHE   6  -2.571  -3.465   7.143
   52    HE1  PHE   6           1HE      PHE   6  -2.961   0.318  10.262
   53    HE2  PHE   6           2HE      PHE   6  -0.813  -3.069   8.818
   54    HZ   PHE   6           HZ       PHE   6  -1.006  -1.176  10.380
   55    H    GLY   7           H        GLY   7  -4.569  -1.354   2.840
   56   1HA   GLY   7          2HA       GLY   7  -7.241  -2.558   2.588
   57   2HA   GLY   7          1HA       GLY   7  -6.575  -1.322   1.530
   58    H    GLY   8           H        GLY   8  -7.428  -4.474   1.614
   59   1HA   GLY   8          2HA       GLY   8  -5.465  -6.046   0.591
   60   2HA   GLY   8          1HA       GLY   8  -7.125  -6.119   0.013
   61    H    CYS   9           H        CYS   9  -4.110  -6.002  -1.090
   62    HA   CYS   9           HA       CYS   9  -4.939  -4.640  -3.545
   63   1HB   CYS   9          2HB       CYS   9  -2.690  -3.540  -3.692
   64   2HB   CYS   9          1HB       CYS   9  -3.725  -2.912  -2.414
   65    H    LYS  10           H        LYS  10  -4.365  -5.688  -5.343
   66    HA   LYS  10           HA       LYS  10  -2.903  -8.164  -5.116
   67   1HB   LYS  10          2HB       LYS  10  -4.438  -6.786  -7.276
   68   2HB   LYS  10          1HB       LYS  10  -3.280  -8.027  -7.731
   69   1HG   LYS  10          2HG       LYS  10  -5.738  -8.314  -6.036
   70   2HG   LYS  10          1HG       LYS  10  -5.358  -9.108  -7.564
   71   1HD   LYS  10          2HD       LYS  10  -3.426 -10.214  -6.371
   72   2HD   LYS  10          1HD       LYS  10  -4.108  -9.590  -4.868
   73   1HE   LYS  10          2HE       LYS  10  -6.168 -10.864  -6.390
   74   2HE   LYS  10          1HE       LYS  10  -4.793 -11.957  -6.240
   75   1HZ   LYS  10          1HZ       LYS  10  -4.946 -11.115  -3.752
   76   2HZ   LYS  10          2HZ       LYS  10  -5.846 -12.433  -4.310
   77   3HZ   LYS  10          3HZ       LYS  10  -6.571 -10.910  -4.177
   78    H    THR  11           H        THR  11  -2.242  -4.926  -5.848
   79    HA   THR  11           HA       THR  11   0.550  -5.512  -6.281
   80    HB   THR  11           HB       THR  11   0.572  -5.286  -8.503
   81    HG1  THR  11           1HG      THR  11   0.005  -3.187  -9.372
   82   1HG2  THR  11          1HG2      THR  11  -1.555  -6.076  -8.943
   83   2HG2  THR  11          2HG2      THR  11  -1.533  -4.511  -9.756
   84   3HG2  THR  11          3HG2      THR  11  -2.334  -4.682  -8.193
   85    H    THR  12           H        THR  12   1.572  -3.183  -6.920
   86    HA   THR  12           HA       THR  12   1.039  -1.565  -4.607
   87    HB   THR  12           HB       THR  12   2.990  -1.451  -6.877
   88    HG1  THR  12           1HG      THR  12   3.182  -2.587  -4.707
   89   1HG2  THR  12          1HG2      THR  12   3.956   0.592  -5.985
   90   2HG2  THR  12          2HG2      THR  12   2.607   0.743  -4.859
   91   3HG2  THR  12          3HG2      THR  12   2.324   0.866  -6.596
   92    H    SER  13           H        SER  13   0.186  -1.524  -7.971
   93    HA   SER  13           HA       SER  13  -0.686   1.192  -8.003
   94   1HB   SER  13          2HB       SER  13   0.103  -0.228 -10.008
   95   2HB   SER  13          1HB       SER  13  -1.533  -0.891  -9.999
   96    HG   SER  13           HG       SER  13  -1.274   1.881  -9.904
   97    H    ASP  14           H        ASP  14  -1.936  -1.590  -6.686
   98    HA   ASP  14           HA       ASP  14  -4.730  -0.944  -7.145
   99   1HB   ASP  14          2HB       ASP  14  -3.231  -3.228  -5.971
  100   2HB   ASP  14          1HB       ASP  14  -4.865  -2.950  -5.377
  101    H    CYS  15           H        CYS  15  -2.582   0.540  -5.353
  102    HA   CYS  15           HA       CYS  15  -4.424   0.891  -3.080
  103   1HB   CYS  15          2HB       CYS  15  -1.422   1.205  -2.947
  104   2HB   CYS  15          1HB       CYS  15  -2.557   1.245  -1.605
  105    H    CYS  16           H        CYS  16  -3.771   2.979  -1.871
  106    HA   CYS  16           HA       CYS  16  -4.354   5.139  -3.573
  107   1HB   CYS  16          2HB       CYS  16  -3.515   5.157  -0.688
  108   2HB   CYS  16          1HB       CYS  16  -4.301   6.478  -1.551
  109    H    LYS  17           H        LYS  17  -2.658   7.011  -2.013
  110    HA   LYS  17           HA       LYS  17  -0.504   7.053  -3.958
  111   1HB   LYS  17          2HB       LYS  17  -1.684   9.042  -2.062
  112   2HB   LYS  17          1HB       LYS  17  -0.081   9.324  -2.727
  113   1HG   LYS  17          2HG       LYS  17  -1.312   8.832  -5.004
  114   2HG   LYS  17          1HG       LYS  17  -2.727   9.329  -4.074
  115   1HD   LYS  17          2HD       LYS  17  -0.234  10.913  -4.654
  116   2HD   LYS  17          1HD       LYS  17  -1.895  11.286  -5.122
  117   1HE   LYS  17          2HE       LYS  17  -2.492  11.905  -2.953
  118   2HE   LYS  17          1HE       LYS  17  -1.122  11.060  -2.233
  119   1HZ   LYS  17          1HZ       LYS  17  -0.536  13.287  -2.125
  120   2HZ   LYS  17          2HZ       LYS  17  -1.150  13.643  -3.660
  121   3HZ   LYS  17          3HZ       LYS  17   0.280  12.753  -3.507
  122    H    HIS  18           H        HIS  18  -0.564   7.936  -0.542
  123    HA   HIS  18           HA       HIS  18   2.155   7.595  -0.155
  124   1HB   HIS  18          2HB       HIS  18  -0.085   7.558   1.854
  125   2HB   HIS  18          1HB       HIS  18   1.621   7.710   2.266
  126    HD1  HIS  18           1HD      HIS  18   2.433  10.035   2.501
  127    HD2  HIS  18           2HD      HIS  18  -0.947   9.813   0.094
  128    HE1  HIS  18           1HE      HIS  18   1.847  12.418   1.945
  129    HE2  HIS  18           2HE      HIS  18  -0.202  12.259   0.485
  130    H    LEU  19           H        LEU  19  -0.147   5.234  -0.576
  131    HA   LEU  19           HA       LEU  19   1.205   3.300   1.139
  132   1HB   LEU  19          2HB       LEU  19  -1.386   3.312  -0.356
  133   2HB   LEU  19          1HB       LEU  19  -0.705   1.815   0.251
  134    HG   LEU  19           HG       LEU  19  -0.787   3.915   2.268
  135   1HD1  LEU  19          1HD1      LEU  19  -3.215   3.818   2.598
  136   2HD1  LEU  19          2HD1      LEU  19  -3.373   2.925   1.086
  137   3HD1  LEU  19          3HD1      LEU  19  -2.781   4.585   1.070
  138   1HD2  LEU  19          1HD2      LEU  19  -0.489   1.279   2.304
  139   2HD2  LEU  19          2HD2      LEU  19  -2.240   1.347   2.501
  140   3HD2  LEU  19          3HD2      LEU  19  -1.189   2.167   3.655
  141    H    GLY  20           H        GLY  20   2.118   1.425   0.469
  142   1HA   GLY  20          2HA       GLY  20   2.471   1.020  -2.431
  143   2HA   GLY  20          1HA       GLY  20   3.853   0.973  -1.341
  144    H    CYS  21           H        CYS  21   1.704  -0.935  -2.951
  145    HA   CYS  21           HA       CYS  21   1.114  -2.892  -1.000
  146   1HB   CYS  21          2HB       CYS  21  -0.021  -2.476  -3.282
  147   2HB   CYS  21          1HB       CYS  21   1.265  -3.482  -3.940
  148    H    LYS  22           H        LYS  22   2.498  -4.215  -0.040
  149    HA   LYS  22           HA       LYS  22   4.945  -4.989  -1.482
  150   1HB   LYS  22          2HB       LYS  22   4.554  -5.233   1.491
  151   2HB   LYS  22          1HB       LYS  22   6.059  -5.186   0.585
  152   1HG   LYS  22          2HG       LYS  22   4.187  -2.843   0.729
  153   2HG   LYS  22          1HG       LYS  22   5.469  -3.121   1.910
  154   1HD   LYS  22          2HD       LYS  22   6.690  -3.412  -0.585
  155   2HD   LYS  22          1HD       LYS  22   5.628  -2.012  -0.751
  156   1HE   LYS  22          2HE       LYS  22   6.654  -1.278   1.512
  157   2HE   LYS  22          1HE       LYS  22   7.924  -2.435   1.123
  158   1HZ   LYS  22          1HZ       LYS  22   8.338  -0.085   0.406
  159   2HZ   LYS  22          2HZ       LYS  22   7.098  -0.275  -0.729
  160   3HZ   LYS  22          3HZ       LYS  22   8.482  -1.245  -0.821
  161    H    PHE  23           H        PHE  23   5.129  -7.029  -2.121
  162    HA   PHE  23           HA       PHE  23   3.140  -8.944  -1.736
  163   1HB   PHE  23          2HB       PHE  23   5.444  -8.704  -3.301
  164   2HB   PHE  23          1HB       PHE  23   5.699 -10.156  -2.337
  165    HD1  PHE  23           1HD      PHE  23   4.991  -9.505  -5.433
  166    HD2  PHE  23           2HD      PHE  23   2.949 -11.170  -2.091
  167    HE1  PHE  23           1HE      PHE  23   3.532 -10.773  -6.959
  168    HE2  PHE  23           2HE      PHE  23   1.489 -12.441  -3.609
  169    HZ   PHE  23           HZ       PHE  23   1.779 -12.244  -6.046
  170    H    ARG  24           H        ARG  24   2.648  -9.490   0.333
  171    HA   ARG  24           HA       ARG  24   3.840 -11.505   1.668
  172   1HB   ARG  24          2HB       ARG  24   5.461  -9.144   1.922
  173   2HB   ARG  24          1HB       ARG  24   4.847  -9.612   3.503
  174   1HG   ARG  24          2HG       ARG  24   6.115 -11.631   1.697
  175   2HG   ARG  24          1HG       ARG  24   7.096 -10.569   2.708
  176   1HD   ARG  24          2HD       ARG  24   4.902 -11.763   4.181
  177   2HD   ARG  24          1HD       ARG  24   5.952 -12.981   3.459
  178    HE   ARG  24           HE       ARG  24   7.448 -10.955   4.784
  179   1HH1  ARG  24          1HH1      ARG  24   5.550 -13.821   5.319
  180   2HH1  ARG  24          2HH1      ARG  24   6.339 -14.225   6.808
  181   1HH2  ARG  24          1HH2      ARG  24   8.496 -11.475   6.745
  182   2HH2  ARG  24          2HH2      ARG  24   8.013 -12.890   7.618
  183    H    ASP  25           H        ASP  25   2.836  -8.222   2.638
  184    HA   ASP  25           HA       ASP  25   1.225  -9.256   4.789
  185   1HB   ASP  25          2HB       ASP  25   2.088  -6.603   3.834
  186   2HB   ASP  25          1HB       ASP  25   0.502  -6.640   4.598
  187    H    LYS  26           H        LYS  26   0.760  -8.647   1.481
  188    HA   LYS  26           HA       LYS  26  -1.028  -8.955   0.118
  189   1HB   LYS  26          2HB       LYS  26  -1.916 -10.806   1.121
  190   2HB   LYS  26          1HB       LYS  26  -2.076 -10.027   2.685
  191   1HG   LYS  26          2HG       LYS  26  -4.255 -10.502   1.817
  192   2HG   LYS  26          1HG       LYS  26  -4.009  -8.756   1.812
  193   1HD   LYS  26          2HD       LYS  26  -4.498  -8.718  -0.354
  194   2HD   LYS  26          1HD       LYS  26  -3.089  -9.731  -0.673
  195   1HE   LYS  26          2HE       LYS  26  -4.384 -11.464  -1.177
  196   2HE   LYS  26          1HE       LYS  26  -5.235 -11.329   0.363
  197   1HZ   LYS  26          1HZ       LYS  26  -5.868  -9.754  -2.074
  198   2HZ   LYS  26          2HZ       LYS  26  -6.714  -9.712  -0.612
  199   3HZ   LYS  26          3HZ       LYS  26  -6.722 -11.118  -1.551
  200    H    TYR  27           H        TYR  27  -0.857  -6.614   2.480
  201    HA   TYR  27           HA       TYR  27  -3.165  -5.191   1.332
  202   1HB   TYR  27          2HB       TYR  27  -3.212  -3.871   3.461
  203   2HB   TYR  27          1HB       TYR  27  -3.632  -5.561   3.651
  204    HD1  TYR  27           1HD      TYR  27  -0.539  -3.455   3.723
  205    HD2  TYR  27           2HD      TYR  27  -2.777  -6.599   5.514
  206    HE1  TYR  27           1HE      TYR  27   1.169  -3.664   5.478
  207    HE2  TYR  27           2HE      TYR  27  -1.075  -6.817   7.274
  208    HH   TYR  27           HH       TYR  27   1.013  -6.222   7.903
  209    H    CYS  28           H        CYS  28  -2.719  -2.694   2.154
  210    HA   CYS  28           HA       CYS  28  -0.299  -1.982   0.666
  211   1HB   CYS  28          2HB       CYS  28  -2.572  -0.164   1.440
  212   2HB   CYS  28          1HB       CYS  28  -1.348   0.108   0.206
  213    H    ALA  29           H        ALA  29   1.417  -1.180   1.692
  214    HA   ALA  29           HA       ALA  29   1.030  -0.149   4.427
  215   1HB   ALA  29          1HB       ALA  29   3.582  -1.250   3.272
  216   2HB   ALA  29          2HB       ALA  29   2.429  -2.203   4.206
  217   3HB   ALA  29          3HB       ALA  29   3.253  -0.834   4.954
  218    H    TRP  30           H        TRP  30   1.884   1.801   4.994
  219    HA   TRP  30           HA       TRP  30   2.001   3.893   3.322
  220   1HB   TRP  30          2HB       TRP  30   3.689   3.396   5.774
  221   2HB   TRP  30          1HB       TRP  30   3.669   4.945   4.934
  222    HD1  TRP  30           HD       TRP  30   2.344   3.770   7.928
  223    HE1  TRP  30           1HE      TRP  30   0.030   4.742   8.501
  224    HE3  TRP  30           3HE      TRP  30   1.012   5.481   3.296
  225    HZ2  TRP  30           2HZ      TRP  30  -2.080   6.057   7.165
  226    HZ3  TRP  30           3HZ      TRP  30  -1.171   6.584   3.028
  227    HH2  TRP  30           HH       TRP  30  -2.685   6.864   4.924
  228    H    ASP  31           H        ASP  31   3.732   5.139   2.366
  229    HA   ASP  31           HA       ASP  31   5.454   3.557   0.775
  230   1HB   ASP  31          2HB       ASP  31   6.327   5.927   0.112
  231   2HB   ASP  31          1HB       ASP  31   4.714   5.420  -0.374
  232    H    PHE  32           H        PHE  32   6.216   2.893   3.176
  233    HA   PHE  32           HA       PHE  32   7.998   4.181   4.712
  234   1HB   PHE  32          2HB       PHE  32   7.291   1.547   4.335
  235   2HB   PHE  32          1HB       PHE  32   9.012   1.536   3.964
  236    HD1  PHE  32           1HD      PHE  32   6.769   3.099   6.511
  237    HD2  PHE  32           2HD      PHE  32  10.377   0.987   5.717
  238    HE1  PHE  32           1HE      PHE  32   7.276   3.068   8.920
  239    HE2  PHE  32           2HE      PHE  32  10.891   0.949   8.122
  240    HZ   PHE  32           HZ       PHE  32   9.340   1.991   9.727
  241    H    THR  33           H        THR  33   9.164   5.758   3.584
  242    HA   THR  33           HA       THR  33  11.664   4.833   2.484
  243    HB   THR  33           HB       THR  33  11.381   6.275   0.411
  244    HG1  THR  33           1HG      THR  33   9.534   7.403   0.985
  245   1HG2  THR  33          1HG2      THR  33  10.748   4.522  -0.851
  246   2HG2  THR  33          2HG2      THR  33   9.344   4.161   0.153
  247   3HG2  THR  33          3HG2      THR  33  10.953   3.658   0.672
  248    H    PHE  34           H        PHE  34  13.251   6.504   2.316
  249    HA   PHE  34           HA       PHE  34  12.547   8.904   3.873
  250   1HB   PHE  34          2HB       PHE  34  15.261   8.803   4.013
  251   2HB   PHE  34          1HB       PHE  34  14.182   8.097   5.212
  252    HD1  PHE  34           1HD      PHE  34  13.908   5.722   5.391
  253    HD2  PHE  34           2HD      PHE  34  16.398   7.403   2.377
  254    HE1  PHE  34           1HE      PHE  34  14.882   3.503   4.964
  255    HE2  PHE  34           2HE      PHE  34  17.376   5.186   1.944
  256    HZ   PHE  34           HZ       PHE  34  16.617   3.233   3.238
  257    H    SER  35           H        SER  35  11.838   9.892   1.859
  258    HA   SER  35           HA       SER  35  12.151  11.458   0.233
  259   1HB   SER  35          2HB       SER  35  15.109  11.461   0.411
  260   2HB   SER  35          1HB       SER  35  13.979  12.813   0.377
  261    HG   SER  35           HG       SER  35  13.418  12.054   2.595
  Start of MODEL   11
    1    HA   GLU   1           HA       GLU   1  -9.683   2.041  -6.398
    2   1HB   GLU   1          2HB       GLU   1  -8.574   3.956  -8.461
    3   2HB   GLU   1          1HB       GLU   1  -8.174   2.251  -8.301
    4   1HG   GLU   1          2HG       GLU   1  -9.791   1.791  -9.733
    5   2HG   GLU   1          1HG       GLU   1 -10.960   2.357  -8.540
    6   1HT   GLU   1          1HT       GLU   1 -10.158   4.925  -6.581
    7   2HT   GLU   1          2HT       GLU   1 -10.997   3.739  -5.667
    8   3HT   GLU   1          3HT       GLU   1 -11.167   3.788  -7.374
    9    H    CYS   2           H        CYS   2  -8.909   2.446  -4.287
   10    HA   CYS   2           HA       CYS   2  -6.200   2.993  -4.067
   11   1HB   CYS   2          2HB       CYS   2  -6.049   5.220  -3.936
   12   2HB   CYS   2          1HB       CYS   2  -7.771   5.365  -4.178
   13    H    ARG   3           H        ARG   3  -6.055   1.327  -2.816
   14    HA   ARG   3           HA       ARG   3  -7.732   0.971  -0.519
   15   1HB   ARG   3          2HB       ARG   3  -5.916  -0.643  -2.104
   16   2HB   ARG   3          1HB       ARG   3  -5.592  -0.837  -0.388
   17   1HG   ARG   3          2HG       ARG   3  -7.458  -2.227  -1.833
   18   2HG   ARG   3          1HG       ARG   3  -7.421  -2.081  -0.077
   19   1HD   ARG   3          2HD       ARG   3  -9.053  -0.414  -0.060
   20   2HD   ARG   3          1HD       ARG   3  -8.799  -0.023  -1.761
   21    HE   ARG   3           HE       ARG   3  -9.869  -2.668  -1.128
   22   1HH1  ARG   3          1HH1      ARG   3 -10.458   0.575  -2.281
   23   2HH1  ARG   3          2HH1      ARG   3 -11.970   0.170  -3.019
   24   1HH2  ARG   3          1HH2      ARG   3 -11.858  -3.199  -2.095
   25   2HH2  ARG   3          2HH2      ARG   3 -12.768  -1.972  -2.912
   26    H    TYR   4           H        TYR   4  -7.406   2.478   0.909
   27    HA   TYR   4           HA       TYR   4  -5.043   3.765   1.565
   28   1HB   TYR   4          2HB       TYR   4  -7.567   4.067   2.388
   29   2HB   TYR   4          1HB       TYR   4  -6.960   3.176   3.779
   30    HD1  TYR   4           1HD      TYR   4  -6.894   4.773   5.481
   31    HD2  TYR   4           2HD      TYR   4  -5.202   5.716   1.694
   32    HE1  TYR   4           1HE      TYR   4  -5.981   6.855   6.415
   33    HE2  TYR   4           2HE      TYR   4  -4.284   7.802   2.617
   34    HH   TYR   4           HH       TYR   4  -4.387   8.507   6.027
   35    H    LEU   5           H        LEU   5  -4.584   3.416   4.287
   36    HA   LEU   5           HA       LEU   5  -2.740   1.323   4.322
   37   1HB   LEU   5          2HB       LEU   5  -2.946   3.381   5.868
   38   2HB   LEU   5          1HB       LEU   5  -4.015   2.370   6.825
   39    HG   LEU   5           HG       LEU   5  -1.907   0.705   6.599
   40   1HD1  LEU   5          1HD1      LEU   5  -0.266   1.880   5.570
   41   2HD1  LEU   5          2HD1      LEU   5   0.015   2.445   7.217
   42   3HD1  LEU   5          3HD1      LEU   5  -0.904   3.440   6.089
   43   1HD2  LEU   5          1HD2      LEU   5  -3.183   1.964   8.605
   44   2HD2  LEU   5          2HD2      LEU   5  -1.600   2.734   8.716
   45   3HD2  LEU   5          3HD2      LEU   5  -1.738   0.979   8.831
   46    H    PHE   6           H        PHE   6  -2.821  -0.781   4.826
   47    HA   PHE   6           HA       PHE   6  -3.613  -2.813   5.491
   48   1HB   PHE   6          2HB       PHE   6  -5.139  -0.944   7.126
   49   2HB   PHE   6          1HB       PHE   6  -6.040  -2.415   6.772
   50    HD1  PHE   6           1HD      PHE   6  -3.378  -0.934   8.683
   51    HD2  PHE   6           2HD      PHE   6  -5.046  -4.624   7.374
   52    HE1  PHE   6           1HE      PHE   6  -2.139  -2.117  10.451
   53    HE2  PHE   6           2HE      PHE   6  -3.812  -5.813   9.140
   54    HZ   PHE   6           HZ       PHE   6  -2.357  -4.560  10.682
   55    H    GLY   7           H        GLY   7  -4.681  -1.094   3.127
   56   1HA   GLY   7          2HA       GLY   7  -7.228  -2.408   2.602
   57   2HA   GLY   7          1HA       GLY   7  -6.448  -1.200   1.590
   58    H    GLY   8           H        GLY   8  -7.502  -4.191   1.410
   59   1HA   GLY   8          2HA       GLY   8  -5.381  -5.813   0.600
   60   2HA   GLY   8          1HA       GLY   8  -7.040  -5.978   0.045
   61    H    CYS   9           H        CYS   9  -4.059  -5.810  -1.099
   62    HA   CYS   9           HA       CYS   9  -4.943  -4.524  -3.583
   63   1HB   CYS   9          2HB       CYS   9  -2.680  -3.487  -3.825
   64   2HB   CYS   9          1HB       CYS   9  -3.640  -2.818  -2.509
   65    H    LYS  10           H        LYS  10  -4.322  -5.540  -5.417
   66    HA   LYS  10           HA       LYS  10  -3.079  -8.128  -5.150
   67   1HB   LYS  10          2HB       LYS  10  -4.322  -6.626  -7.436
   68   2HB   LYS  10          1HB       LYS  10  -3.422  -8.111  -7.714
   69   1HG   LYS  10          2HG       LYS  10  -5.601  -8.092  -5.683
   70   2HG   LYS  10          1HG       LYS  10  -6.012  -8.161  -7.398
   71   1HD   LYS  10          2HD       LYS  10  -3.914 -10.017  -6.426
   72   2HD   LYS  10          1HD       LYS  10  -5.577 -10.351  -5.938
   73   1HE   LYS  10          2HE       LYS  10  -5.584 -11.490  -7.898
   74   2HE   LYS  10          1HE       LYS  10  -5.993  -9.897  -8.532
   75   1HZ   LYS  10          1HZ       LYS  10  -3.572 -11.451  -8.855
   76   2HZ   LYS  10          2HZ       LYS  10  -3.322  -9.805  -8.552
   77   3HZ   LYS  10          3HZ       LYS  10  -4.259 -10.286  -9.876
   78    H    THR  11           H        THR  11  -2.160  -4.960  -5.989
   79    HA   THR  11           HA       THR  11   0.604  -5.734  -6.237
   80    HB   THR  11           HB       THR  11   0.751  -5.742  -8.460
   81    HG1  THR  11           1HG      THR  11  -0.168  -3.410  -9.278
   82   1HG2  THR  11          1HG2      THR  11  -1.312  -6.423  -9.104
   83   2HG2  THR  11          2HG2      THR  11  -1.310  -4.818  -9.833
   84   3HG2  THR  11          3HG2      THR  11  -2.127  -5.086  -8.294
   85    H    THR  12           H        THR  12   1.836  -3.577  -6.991
   86    HA   THR  12           HA       THR  12   1.409  -1.733  -4.881
   87    HB   THR  12           HB       THR  12   3.131  -1.637  -7.351
   88    HG1  THR  12           1HG      THR  12   4.282  -2.773  -6.008
   89   1HG2  THR  12          1HG2      THR  12   2.962   0.607  -7.090
   90   2HG2  THR  12          2HG2      THR  12   4.235   0.269  -5.916
   91   3HG2  THR  12          3HG2      THR  12   2.572   0.494  -5.374
   92    H    SER  13           H        SER  13   0.417  -1.843  -8.223
   93    HA   SER  13           HA       SER  13  -0.615   0.843  -8.181
   94   1HB   SER  13          2HB       SER  13  -0.973   0.625 -10.472
   95   2HB   SER  13          1HB       SER  13   0.411  -0.438 -10.215
   96    HG   SER  13           HG       SER  13  -1.480  -1.264 -11.468
   97    H    ASP  14           H        ASP  14  -1.734  -0.765  -6.200
   98    HA   ASP  14           HA       ASP  14  -4.532  -0.809  -7.061
   99   1HB   ASP  14          2HB       ASP  14  -2.981  -3.041  -5.797
  100   2HB   ASP  14          1HB       ASP  14  -4.694  -2.872  -5.436
  101    H    CYS  15           H        CYS  15  -2.483   0.748  -5.259
  102    HA   CYS  15           HA       CYS  15  -4.335   0.994  -2.987
  103   1HB   CYS  15          2HB       CYS  15  -1.335   1.290  -2.802
  104   2HB   CYS  15          1HB       CYS  15  -2.486   1.301  -1.471
  105    H    CYS  16           H        CYS  16  -3.922   3.031  -1.749
  106    HA   CYS  16           HA       CYS  16  -4.458   5.240  -3.325
  107   1HB   CYS  16          2HB       CYS  16  -3.477   5.205  -0.485
  108   2HB   CYS  16          1HB       CYS  16  -4.352   6.515  -1.274
  109    H    LYS  17           H        LYS  17  -2.740   7.100  -1.790
  110    HA   LYS  17           HA       LYS  17  -0.644   7.213  -3.792
  111   1HB   LYS  17          2HB       LYS  17  -2.211   9.120  -2.427
  112   2HB   LYS  17          1HB       LYS  17  -0.548   9.390  -1.925
  113   1HG   LYS  17          2HG       LYS  17  -0.740  10.749  -3.774
  114   2HG   LYS  17          1HG       LYS  17  -0.018   9.289  -4.453
  115   1HD   LYS  17          2HD       LYS  17  -1.682   9.408  -5.955
  116   2HD   LYS  17          1HD       LYS  17  -2.686   8.747  -4.662
  117   1HE   LYS  17          2HE       LYS  17  -2.336  11.658  -4.577
  118   2HE   LYS  17          1HE       LYS  17  -3.193  11.064  -5.998
  119   1HZ   LYS  17          1HZ       LYS  17  -4.779   9.973  -4.592
  120   2HZ   LYS  17          2HZ       LYS  17  -4.669  11.591  -4.118
  121   3HZ   LYS  17          3HZ       LYS  17  -3.917  10.389  -3.197
  122    H    HIS  18           H        HIS  18  -0.618   8.055  -0.358
  123    HA   HIS  18           HA       HIS  18   2.118   7.729  -0.071
  124   1HB   HIS  18          2HB       HIS  18  -0.125   7.826   1.911
  125   2HB   HIS  18          1HB       HIS  18   1.549   7.650   2.429
  126    HD1  HIS  18           1HD      HIS  18   0.423   9.890  -0.389
  127    HD2  HIS  18           2HD      HIS  18   1.879  10.167   3.492
  128    HE1  HIS  18           1HE      HIS  18   0.911  12.331  -0.027
  129    HE2  HIS  18           2HE      HIS  18   1.725  12.484   2.352
  130    H    LEU  19           H        LEU  19  -0.200   5.366  -0.410
  131    HA   LEU  19           HA       LEU  19   1.264   3.399   1.177
  132   1HB   LEU  19          2HB       LEU  19  -1.405   3.363  -0.200
  133   2HB   LEU  19          1HB       LEU  19  -0.668   1.898   0.421
  134    HG   LEU  19           HG       LEU  19  -0.759   4.086   2.364
  135   1HD1  LEU  19          1HD1      LEU  19  -3.158   3.838   2.811
  136   2HD1  LEU  19          2HD1      LEU  19  -3.319   2.881   1.339
  137   3HD1  LEU  19          3HD1      LEU  19  -2.841   4.575   1.243
  138   1HD2  LEU  19          1HD2      LEU  19  -1.243   2.363   3.864
  139   2HD2  LEU  19          2HD2      LEU  19  -0.160   1.622   2.684
  140   3HD2  LEU  19          3HD2      LEU  19  -1.895   1.323   2.598
  141    H    GLY  20           H        GLY  20   1.870   1.374   0.348
  142   1HA   GLY  20          2HA       GLY  20   2.121   1.117  -2.559
  143   2HA   GLY  20          1HA       GLY  20   3.592   1.082  -1.592
  144    H    CYS  21           H        CYS  21   1.683  -0.920  -3.188
  145    HA   CYS  21           HA       CYS  21   1.079  -2.891  -1.234
  146   1HB   CYS  21          2HB       CYS  21   0.063  -2.508  -3.610
  147   2HB   CYS  21          1HB       CYS  21   1.376  -3.556  -4.135
  148    H    LYS  22           H        LYS  22   2.271  -4.544  -0.474
  149    HA   LYS  22           HA       LYS  22   5.067  -4.644  -1.229
  150   1HB   LYS  22          2HB       LYS  22   3.464  -5.434   1.067
  151   2HB   LYS  22          1HB       LYS  22   4.616  -6.682   0.608
  152   1HG   LYS  22          2HG       LYS  22   5.937  -5.492   2.007
  153   2HG   LYS  22          1HG       LYS  22   6.256  -4.593   0.521
  154   1HD   LYS  22          2HD       LYS  22   4.129  -3.231   1.336
  155   2HD   LYS  22          1HD       LYS  22   4.662  -3.825   2.911
  156   1HE   LYS  22          2HE       LYS  22   6.605  -2.528   1.036
  157   2HE   LYS  22          1HE       LYS  22   5.544  -1.545   2.043
  158   1HZ   LYS  22          1HZ       LYS  22   6.430  -2.691   3.997
  159   2HZ   LYS  22          2HZ       LYS  22   7.651  -1.901   3.133
  160   3HZ   LYS  22          3HZ       LYS  22   7.481  -3.579   3.012
  161    H    PHE  23           H        PHE  23   6.068  -6.925  -1.307
  162    HA   PHE  23           HA       PHE  23   5.373  -8.173  -3.648
  163   1HB   PHE  23          2HB       PHE  23   6.877  -9.165  -1.239
  164   2HB   PHE  23          1HB       PHE  23   6.651 -10.180  -2.659
  165    HD1  PHE  23           1HD      PHE  23   7.334  -9.066  -4.936
  166    HD2  PHE  23           2HD      PHE  23   8.741  -7.821  -1.117
  167    HE1  PHE  23           1HE      PHE  23   9.285  -8.014  -6.000
  168    HE2  PHE  23           2HE      PHE  23  10.693  -6.764  -2.176
  169    HZ   PHE  23           HZ       PHE  23  10.968  -6.860  -4.621
  170    H    ARG  24           H        ARG  24   3.098  -8.433  -3.673
  171    HA   ARG  24           HA       ARG  24   1.101  -9.492  -3.339
  172   1HB   ARG  24          2HB       ARG  24   2.786 -11.248  -4.350
  173   2HB   ARG  24          1HB       ARG  24   2.592 -12.019  -2.781
  174   1HG   ARG  24          2HG       ARG  24   0.007 -11.552  -3.456
  175   2HG   ARG  24          1HG       ARG  24   0.734 -11.841  -5.039
  176   1HD   ARG  24          2HD       ARG  24   0.837 -14.027  -4.649
  177   2HD   ARG  24          1HD       ARG  24   1.715 -13.759  -3.144
  178    HE   ARG  24           HE       ARG  24  -0.215 -14.188  -2.013
  179   1HH1  ARG  24          1HH1      ARG  24  -1.028 -13.278  -5.278
  180   2HH1  ARG  24          2HH1      ARG  24  -2.720 -13.595  -5.082
  181   1HH2  ARG  24          1HH2      ARG  24  -2.441 -14.604  -1.745
  182   2HH2  ARG  24          2HH2      ARG  24  -3.523 -14.348  -3.073
  183    H    ASP  25           H        ASP  25   2.536  -8.470  -0.915
  184    HA   ASP  25           HA       ASP  25   2.364 -10.079   1.294
  185   1HB   ASP  25          2HB       ASP  25   3.182  -7.735   1.306
  186   2HB   ASP  25          1HB       ASP  25   1.518  -7.177   1.182
  187    H    LYS  26           H        LYS  26  -0.229  -7.786   0.453
  188    HA   LYS  26           HA       LYS  26  -2.398  -9.329   0.196
  189   1HB   LYS  26          2HB       LYS  26  -2.160 -10.628   2.111
  190   2HB   LYS  26          1HB       LYS  26  -1.555  -9.284   3.070
  191   1HG   LYS  26          2HG       LYS  26  -3.663  -8.452   3.487
  192   2HG   LYS  26          1HG       LYS  26  -4.367  -9.234   2.070
  193   1HD   LYS  26          2HD       LYS  26  -3.952 -11.437   3.223
  194   2HD   LYS  26          1HD       LYS  26  -3.540 -10.514   4.670
  195   1HE   LYS  26          2HE       LYS  26  -5.789 -11.008   4.982
  196   2HE   LYS  26          1HE       LYS  26  -5.827  -9.374   4.324
  197   1HZ   LYS  26          1HZ       LYS  26  -6.215 -11.851   2.733
  198   2HZ   LYS  26          2HZ       LYS  26  -6.340 -10.264   2.162
  199   3HZ   LYS  26          3HZ       LYS  26  -7.462 -10.850   3.284
  200    H    TYR  27           H        TYR  27  -1.273  -6.737   2.339
  201    HA   TYR  27           HA       TYR  27  -3.560  -5.117   1.432
  202   1HB   TYR  27          2HB       TYR  27  -3.345  -3.898   3.616
  203   2HB   TYR  27          1HB       TYR  27  -3.853  -5.571   3.770
  204    HD1  TYR  27           1HD      TYR  27  -2.083  -7.306   4.393
  205    HD2  TYR  27           2HD      TYR  27  -1.449  -3.112   4.747
  206    HE1  TYR  27           1HE      TYR  27  -0.230  -7.722   5.955
  207    HE2  TYR  27           2HE      TYR  27   0.405  -3.519   6.308
  208    HH   TYR  27           HH       TYR  27   0.981  -5.588   7.981
  209    H    CYS  28           H        CYS  28  -2.845  -2.683   2.338
  210    HA   CYS  28           HA       CYS  28  -0.435  -2.098   0.760
  211   1HB   CYS  28          2HB       CYS  28  -2.655  -0.192   1.505
  212   2HB   CYS  28          1HB       CYS  28  -1.367   0.079   0.333
  213    H    ALA  29           H        ALA  29   1.215  -0.900   1.589
  214    HA   ALA  29           HA       ALA  29   0.939   0.006   4.382
  215   1HB   ALA  29          1HB       ALA  29   2.576  -1.328   5.060
  216   2HB   ALA  29          2HB       ALA  29   3.650  -0.710   3.804
  217   3HB   ALA  29          3HB       ALA  29   2.586  -2.073   3.461
  218    H    TRP  30           H        TRP  30   1.989   1.898   4.935
  219    HA   TRP  30           HA       TRP  30   2.128   3.984   3.259
  220   1HB   TRP  30          2HB       TRP  30   3.951   3.376   5.586
  221   2HB   TRP  30          1HB       TRP  30   3.960   4.926   4.752
  222    HD1  TRP  30           HD       TRP  30   2.823   3.845   7.839
  223    HE1  TRP  30           1HE      TRP  30   0.619   4.933   8.596
  224    HE3  TRP  30           3HE      TRP  30   1.186   5.590   3.322
  225    HZ2  TRP  30           2HZ      TRP  30  -1.532   6.348   7.432
  226    HZ3  TRP  30           3HZ      TRP  30  -0.951   6.799   3.230
  227    HH2  TRP  30           HH       TRP  30  -2.282   7.170   5.240
  228    H    ASP  31           H        ASP  31   3.921   5.151   2.257
  229    HA   ASP  31           HA       ASP  31   5.421   3.483   0.528
  230   1HB   ASP  31          2HB       ASP  31   4.440   5.977   0.278
  231   2HB   ASP  31          1HB       ASP  31   6.109   6.357   0.694
  232    H    PHE  32           H        PHE  32   6.242   2.755   2.966
  233    HA   PHE  32           HA       PHE  32   8.269   3.956   4.302
  234   1HB   PHE  32          2HB       PHE  32   7.176   1.614   4.591
  235   2HB   PHE  32          1HB       PHE  32   8.496   1.049   3.576
  236    HD1  PHE  32           1HD      PHE  32   9.675  -0.279   5.111
  237    HD2  PHE  32           2HD      PHE  32   8.676   3.736   6.112
  238    HE1  PHE  32           1HE      PHE  32  11.129  -0.414   7.093
  239    HE2  PHE  32           2HE      PHE  32  10.131   3.608   8.094
  240    HZ   PHE  32           HZ       PHE  32  11.357   1.530   8.586
  241    H    THR  33           H        THR  33  10.167   4.791   3.735
  242    HA   THR  33           HA       THR  33  11.368   4.011   1.200
  243    HB   THR  33           HB       THR  33  12.986   5.973   2.067
  244    HG1  THR  33           1HG      THR  33  10.539   6.911   3.026
  245   1HG2  THR  33          1HG2      THR  33  11.170   7.586   1.055
  246   2HG2  THR  33          2HG2      THR  33  10.436   6.061   0.561
  247   3HG2  THR  33          3HG2      THR  33  12.074   6.459   0.045
  248    H    PHE  34           H        PHE  34  12.209   4.291   4.584
  249    HA   PHE  34           HA       PHE  34  14.057   3.569   5.758
  250   1HB   PHE  34          2HB       PHE  34  14.249   1.119   5.712
  251   2HB   PHE  34          1HB       PHE  34  12.565   1.627   5.727
  252    HD1  PHE  34           1HD      PHE  34  15.228   0.105   3.737
  253    HD2  PHE  34           2HD      PHE  34  11.137   1.268   3.828
  254    HE1  PHE  34           1HE      PHE  34  14.804  -1.248   1.726
  255    HE2  PHE  34           2HE      PHE  34  10.704  -0.082   1.819
  256    HZ   PHE  34           HZ       PHE  34  12.538  -1.343   0.765
  257    H    SER  35           H        SER  35  15.954   1.596   5.192
  258    HA   SER  35           HA       SER  35  17.333   2.563   2.791
  259   1HB   SER  35          2HB       SER  35  18.021   3.465   5.291
  260   2HB   SER  35          1HB       SER  35  19.114   2.097   5.082
  261    HG   SER  35           HG       SER  35  18.967   3.609   2.837
  Start of MODEL   12
    1    HA   GLU   1           HA       GLU   1 -10.732   3.469  -5.892
    2   1HB   GLU   1          2HB       GLU   1 -10.209   1.185  -5.163
    3   2HB   GLU   1          1HB       GLU   1 -11.132   1.182  -6.661
    4   1HG   GLU   1          2HG       GLU   1  -9.581  -0.052  -7.626
    5   2HG   GLU   1          1HG       GLU   1  -8.380   1.204  -7.332
    6   1HT   GLU   1          1HT       GLU   1 -10.612   2.630  -8.290
    7   2HT   GLU   1          2HT       GLU   1  -8.968   3.111  -8.181
    8   3HT   GLU   1          3HT       GLU   1 -10.219   4.257  -7.915
    9    H    CYS   2           H        CYS   2  -9.099   2.294  -4.069
   10    HA   CYS   2           HA       CYS   2  -6.372   2.657  -4.246
   11   1HB   CYS   2          2HB       CYS   2  -5.941   4.845  -4.054
   12   2HB   CYS   2          1HB       CYS   2  -7.625   5.127  -4.414
   13    H    ARG   3           H        ARG   3  -6.086   1.083  -2.935
   14    HA   ARG   3           HA       ARG   3  -7.548   0.748  -0.519
   15   1HB   ARG   3          2HB       ARG   3  -5.446  -0.724  -1.995
   16   2HB   ARG   3          1HB       ARG   3  -5.488  -0.983  -0.259
   17   1HG   ARG   3          2HG       ARG   3  -7.158  -2.100  -2.305
   18   2HG   ARG   3          1HG       ARG   3  -7.051  -2.522  -0.600
   19   1HD   ARG   3          2HD       ARG   3  -8.690  -0.886  -0.012
   20   2HD   ARG   3          1HD       ARG   3  -8.660  -0.194  -1.634
   21    HE   ARG   3           HE       ARG   3  -9.980  -1.946  -2.394
   22   1HH1  ARG   3          1HH1      ARG   3  -9.033  -2.465   0.917
   23   2HH1  ARG   3          2HH1      ARG   3 -10.190  -3.726   1.184
   24   1HH2  ARG   3          1HH2      ARG   3 -11.505  -3.605  -2.053
   25   2HH2  ARG   3          2HH2      ARG   3 -11.593  -4.377  -0.505
   26    H    TYR   4           H        TYR   4  -7.304   2.241   0.894
   27    HA   TYR   4           HA       TYR   4  -5.007   3.707   1.497
   28   1HB   TYR   4          2HB       TYR   4  -7.615   3.729   2.346
   29   2HB   TYR   4          1HB       TYR   4  -6.784   3.146   3.782
   30    HD1  TYR   4           1HD      TYR   4  -6.514   5.854   1.222
   31    HD2  TYR   4           2HD      TYR   4  -5.963   4.700   5.279
   32    HE1  TYR   4           1HE      TYR   4  -5.895   8.166   1.791
   33    HE2  TYR   4           2HE      TYR   4  -5.344   7.008   5.859
   34    HH   TYR   4           HH       TYR   4  -5.077   9.519   3.377
   35    H    LEU   5           H        LEU   5  -4.853   3.330   4.331
   36    HA   LEU   5           HA       LEU   5  -2.837   1.328   4.445
   37   1HB   LEU   5          2HB       LEU   5  -2.976   3.431   5.850
   38   2HB   LEU   5          1HB       LEU   5  -4.204   2.614   6.800
   39    HG   LEU   5           HG       LEU   5  -2.326   0.758   7.003
   40   1HD1  LEU   5          1HD1      LEU   5  -0.760   1.891   5.511
   41   2HD1  LEU   5          2HD1      LEU   5  -0.104   1.737   7.140
   42   3HD1  LEU   5          3HD1      LEU   5  -0.743   3.283   6.590
   43   1HD2  LEU   5          1HD2      LEU   5  -2.637   3.308   8.551
   44   2HD2  LEU   5          2HD2      LEU   5  -1.484   2.068   9.042
   45   3HD2  LEU   5          3HD2      LEU   5  -3.204   1.688   8.956
   46    H    PHE   6           H        PHE   6  -3.120  -0.778   4.567
   47    HA   PHE   6           HA       PHE   6  -3.841  -2.784   5.447
   48   1HB   PHE   6          2HB       PHE   6  -4.677  -1.228   7.404
   49   2HB   PHE   6          1HB       PHE   6  -6.257  -1.538   6.693
   50    HD1  PHE   6           1HD      PHE   6  -7.403  -3.055   7.970
   51    HD2  PHE   6           2HD      PHE   6  -3.254  -3.676   7.267
   52    HE1  PHE   6           1HE      PHE   6  -7.523  -5.193   9.184
   53    HE2  PHE   6           2HE      PHE   6  -3.363  -5.815   8.477
   54    HZ   PHE   6           HZ       PHE   6  -5.501  -6.576   9.438
   55    H    GLY   7           H        GLY   7  -4.635  -1.510   2.924
   56   1HA   GLY   7          2HA       GLY   7  -7.306  -2.684   2.524
   57   2HA   GLY   7          1HA       GLY   7  -6.561  -1.482   1.482
   58    H    GLY   8           H        GLY   8  -7.585  -4.477   1.347
   59   1HA   GLY   8          2HA       GLY   8  -5.440  -6.073   0.516
   60   2HA   GLY   8          1HA       GLY   8  -7.112  -6.290   0.020
   61    H    CYS   9           H        CYS   9  -4.052  -5.722  -1.075
   62    HA   CYS   9           HA       CYS   9  -5.063  -4.565  -3.592
   63   1HB   CYS   9          2HB       CYS   9  -2.701  -3.631  -3.844
   64   2HB   CYS   9          1HB       CYS   9  -3.734  -2.853  -2.648
   65    H    LYS  10           H        LYS  10  -4.365  -5.475  -5.492
   66    HA   LYS  10           HA       LYS  10  -3.149  -8.096  -5.277
   67   1HB   LYS  10          2HB       LYS  10  -4.637  -6.597  -7.361
   68   2HB   LYS  10          1HB       LYS  10  -3.475  -7.789  -7.926
   69   1HG   LYS  10          2HG       LYS  10  -5.454  -8.560  -5.834
   70   2HG   LYS  10          1HG       LYS  10  -5.965  -8.446  -7.520
   71   1HD   LYS  10          2HD       LYS  10  -3.513  -9.856  -7.479
   72   2HD   LYS  10          1HD       LYS  10  -4.534 -10.547  -6.216
   73   1HE   LYS  10          2HE       LYS  10  -6.266 -10.219  -8.340
   74   2HE   LYS  10          1HE       LYS  10  -4.763 -10.724  -9.112
   75   1HZ   LYS  10          1HZ       LYS  10  -4.757 -12.538  -7.316
   76   2HZ   LYS  10          2HZ       LYS  10  -5.816 -12.709  -8.624
   77   3HZ   LYS  10          3HZ       LYS  10  -6.398 -12.172  -7.130
   78    H    THR  11           H        THR  11  -2.269  -4.903  -6.013
   79    HA   THR  11           HA       THR  11   0.493  -5.656  -6.366
   80    HB   THR  11           HB       THR  11   0.600  -5.459  -8.588
   81    HG1  THR  11           1HG      THR  11   0.452  -3.441  -9.483
   82   1HG2  THR  11          1HG2      THR  11  -1.244  -5.261  -9.997
   83   2HG2  THR  11          2HG2      THR  11  -2.151  -4.309  -8.820
   84   3HG2  THR  11          3HG2      THR  11  -1.879  -6.030  -8.541
   85    H    THR  12           H        THR  12   1.657  -3.391  -7.040
   86    HA   THR  12           HA       THR  12   1.230  -1.720  -4.757
   87    HB   THR  12           HB       THR  12   3.095  -1.651  -7.107
   88    HG1  THR  12           1HG      THR  12   3.857  -2.905  -5.510
   89   1HG2  THR  12          1HG2      THR  12   2.715   0.650  -6.852
   90   2HG2  THR  12          2HG2      THR  12   4.200   0.300  -5.969
   91   3HG2  THR  12          3HG2      THR  12   2.686   0.527  -5.095
   92    H    SER  13           H        SER  13   0.281  -1.674  -8.090
   93    HA   SER  13           HA       SER  13  -0.553   1.071  -8.053
   94   1HB   SER  13          2HB       SER  13  -1.559   0.386 -10.334
   95   2HB   SER  13          1HB       SER  13   0.197   0.397 -10.172
   96    HG   SER  13           HG       SER  13   0.099  -1.609 -10.759
   97    H    ASP  14           H        ASP  14  -1.748  -1.293  -6.393
   98    HA   ASP  14           HA       ASP  14  -4.561  -0.847  -7.117
   99   1HB   ASP  14          2HB       ASP  14  -3.103  -3.109  -5.821
  100   2HB   ASP  14          1HB       ASP  14  -4.789  -2.843  -5.384
  101    H    CYS  15           H        CYS  15  -2.386   0.533  -5.178
  102    HA   CYS  15           HA       CYS  15  -4.327   0.921  -2.996
  103   1HB   CYS  15          2HB       CYS  15  -1.333   1.275  -2.761
  104   2HB   CYS  15          1HB       CYS  15  -2.514   1.289  -1.459
  105    H    CYS  16           H        CYS  16  -3.774   3.018  -1.778
  106    HA   CYS  16           HA       CYS  16  -4.404   5.154  -3.459
  107   1HB   CYS  16          2HB       CYS  16  -3.450   5.247  -0.618
  108   2HB   CYS  16          1HB       CYS  16  -4.345   6.506  -1.469
  109    H    LYS  17           H        LYS  17  -2.640   7.019  -1.872
  110    HA   LYS  17           HA       LYS  17  -0.629   7.178  -3.959
  111   1HB   LYS  17          2HB       LYS  17  -1.656   9.067  -1.873
  112   2HB   LYS  17          1HB       LYS  17  -0.129   9.392  -2.682
  113   1HG   LYS  17          2HG       LYS  17  -1.667   8.915  -4.820
  114   2HG   LYS  17          1HG       LYS  17  -2.888   9.533  -3.705
  115   1HD   LYS  17          2HD       LYS  17  -2.214  11.593  -4.202
  116   2HD   LYS  17          1HD       LYS  17  -0.671  11.225  -3.428
  117   1HE   LYS  17          2HE       LYS  17  -0.250  12.031  -5.651
  118   2HE   LYS  17          1HE       LYS  17   0.138  10.313  -5.585
  119   1HZ   LYS  17          1HZ       LYS  17  -2.520  11.216  -6.486
  120   2HZ   LYS  17          2HZ       LYS  17  -1.725   9.761  -6.815
  121   3HZ   LYS  17          3HZ       LYS  17  -1.212  11.189  -7.560
  122    H    HIS  18           H        HIS  18  -0.389   8.013  -0.550
  123    HA   HIS  18           HA       HIS  18   2.342   7.488  -0.424
  124   1HB   HIS  18          2HB       HIS  18   0.344   7.680   1.823
  125   2HB   HIS  18          1HB       HIS  18   2.092   7.751   2.019
  126    HD1  HIS  18           1HD      HIS  18  -0.016  10.053   2.727
  127    HD2  HIS  18           2HD      HIS  18   2.462   9.886  -0.604
  128    HE1  HIS  18           1HE      HIS  18   0.236  12.433   1.956
  129    HE2  HIS  18           2HE      HIS  18   1.757  12.311  -0.047
  130    H    LEU  19           H        LEU  19  -0.191   5.349  -0.526
  131    HA   LEU  19           HA       LEU  19   1.090   3.321   1.115
  132   1HB   LEU  19          2HB       LEU  19  -1.530   3.396  -0.357
  133   2HB   LEU  19          1HB       LEU  19  -0.955   1.991   0.519
  134    HG   LEU  19           HG       LEU  19  -0.821   4.312   2.206
  135   1HD1  LEU  19          1HD1      LEU  19  -2.558   5.401   1.173
  136   2HD1  LEU  19          2HD1      LEU  19  -3.420   4.415   2.353
  137   3HD1  LEU  19          3HD1      LEU  19  -3.338   3.904   0.667
  138   1HD2  LEU  19          1HD2      LEU  19  -2.348   1.723   2.277
  139   2HD2  LEU  19          2HD2      LEU  19  -2.348   2.903   3.588
  140   3HD2  LEU  19          3HD2      LEU  19  -0.844   2.118   3.111
  141    H    GLY  20           H        GLY  20   2.167   1.624   0.403
  142   1HA   GLY  20          2HA       GLY  20   2.195   1.104  -2.504
  143   2HA   GLY  20          1HA       GLY  20   3.658   1.057  -1.527
  144    H    CYS  21           H        CYS  21   1.693  -0.921  -3.076
  145    HA   CYS  21           HA       CYS  21   1.097  -2.850  -1.063
  146   1HB   CYS  21          2HB       CYS  21  -0.117  -2.451  -3.312
  147   2HB   CYS  21          1HB       CYS  21   1.159  -3.446  -4.004
  148    H    LYS  22           H        LYS  22   1.963  -5.000  -0.937
  149    HA   LYS  22           HA       LYS  22   4.617  -5.366  -2.128
  150   1HB   LYS  22          2HB       LYS  22   5.510  -6.160   0.024
  151   2HB   LYS  22          1HB       LYS  22   5.017  -4.474   0.102
  152   1HG   LYS  22          2HG       LYS  22   2.764  -5.920   0.875
  153   2HG   LYS  22          1HG       LYS  22   4.125  -6.723   1.662
  154   1HD   LYS  22          2HD       LYS  22   3.096  -4.880   3.002
  155   2HD   LYS  22          1HD       LYS  22   4.822  -4.679   2.694
  156   1HE   LYS  22          2HE       LYS  22   3.296  -3.476   0.580
  157   2HE   LYS  22          1HE       LYS  22   2.746  -2.865   2.139
  158   1HZ   LYS  22          1HZ       LYS  22   4.720  -1.859   2.545
  159   2HZ   LYS  22          2HZ       LYS  22   4.780  -1.811   0.855
  160   3HZ   LYS  22          3HZ       LYS  22   5.629  -3.007   1.695
  161    H    PHE  23           H        PHE  23   4.572  -7.208  -3.221
  162    HA   PHE  23           HA       PHE  23   2.598  -9.124  -3.153
  163   1HB   PHE  23          2HB       PHE  23   5.417  -9.896  -3.823
  164   2HB   PHE  23          1HB       PHE  23   3.917 -10.389  -4.601
  165    HD1  PHE  23           1HD      PHE  23   2.572  -7.954  -5.252
  166    HD2  PHE  23           2HD      PHE  23   6.740  -8.810  -5.347
  167    HE1  PHE  23           1HE      PHE  23   2.887  -6.209  -6.959
  168    HE2  PHE  23           2HE      PHE  23   7.062  -7.067  -7.053
  169    HZ   PHE  23           HZ       PHE  23   5.135  -5.765  -7.861
  170    H    ARG  24           H        ARG  24   2.052  -9.771  -1.089
  171    HA   ARG  24           HA       ARG  24   2.941 -12.080  -0.045
  172   1HB   ARG  24          2HB       ARG  24   4.873  -9.979   0.514
  173   2HB   ARG  24          1HB       ARG  24   4.272 -10.723   1.990
  174   1HG   ARG  24          2HG       ARG  24   5.180 -12.767   1.497
  175   2HG   ARG  24          1HG       ARG  24   5.152 -12.482  -0.245
  176   1HD   ARG  24          2HD       ARG  24   6.844 -10.520   0.743
  177   2HD   ARG  24          1HD       ARG  24   7.243 -11.950   1.691
  178    HE   ARG  24           HE       ARG  24   7.174 -12.845  -0.883
  179   1HH1  ARG  24          1HH1      ARG  24   8.868 -10.299   0.780
  180   2HH1  ARG  24          2HH1      ARG  24  10.264 -10.382  -0.240
  181   1HH2  ARG  24          1HH2      ARG  24   9.009 -12.964  -2.237
  182   2HH2  ARG  24          2HH2      ARG  24  10.345 -11.899  -1.956
  183    H    ASP  25           H        ASP  25   2.916  -9.123   1.920
  184    HA   ASP  25           HA       ASP  25   1.049 -10.041   3.766
  185   1HB   ASP  25          2HB       ASP  25   1.353  -7.135   3.009
  186   2HB   ASP  25          1HB       ASP  25   0.913  -7.808   4.575
  187    H    LYS  26           H        LYS  26   0.623  -8.373   0.713
  188    HA   LYS  26           HA       LYS  26  -1.200  -8.477  -0.691
  189   1HB   LYS  26          2HB       LYS  26  -1.935 -10.447   0.808
  190   2HB   LYS  26          1HB       LYS  26  -2.978  -9.268   1.591
  191   1HG   LYS  26          2HG       LYS  26  -3.917  -8.756  -0.692
  192   2HG   LYS  26          1HG       LYS  26  -3.039 -10.174  -1.272
  193   1HD   LYS  26          2HD       LYS  26  -4.290 -11.629   0.116
  194   2HD   LYS  26          1HD       LYS  26  -4.962 -10.286   1.041
  195   1HE   LYS  26          2HE       LYS  26  -6.640 -10.029  -0.400
  196   2HE   LYS  26          1HE       LYS  26  -5.539 -10.015  -1.777
  197   1HZ   LYS  26          1HZ       LYS  26  -6.943 -11.850  -2.089
  198   2HZ   LYS  26          2HZ       LYS  26  -6.805 -12.357  -0.482
  199   3HZ   LYS  26          3HZ       LYS  26  -5.489 -12.510  -1.533
  200    H    TYR  27           H        TYR  27  -1.143  -6.875   2.375
  201    HA   TYR  27           HA       TYR  27  -3.271  -5.050   1.586
  202   1HB   TYR  27          2HB       TYR  27  -2.815  -3.972   3.813
  203   2HB   TYR  27          1HB       TYR  27  -3.347  -5.645   3.886
  204    HD1  TYR  27           1HD      TYR  27  -0.053  -3.905   3.497
  205    HD2  TYR  27           2HD      TYR  27  -2.332  -6.843   5.565
  206    HE1  TYR  27           1HE      TYR  27   1.910  -4.450   4.875
  207    HE2  TYR  27           2HE      TYR  27  -0.375  -7.396   6.949
  208    HH   TYR  27           HH       TYR  27   1.735  -6.912   7.431
  209    H    CYS  28           H        CYS  28  -2.608  -2.670   2.487
  210    HA   CYS  28           HA       CYS  28  -0.270  -1.913   0.860
  211   1HB   CYS  28          2HB       CYS  28  -2.604  -0.136   1.578
  212   2HB   CYS  28          1HB       CYS  28  -1.347   0.172   0.383
  213    H    ALA  29           H        ALA  29   1.373  -0.879   1.801
  214    HA   ALA  29           HA       ALA  29   0.952   0.240   4.497
  215   1HB   ALA  29          1HB       ALA  29   2.464  -1.988   3.938
  216   2HB   ALA  29          2HB       ALA  29   2.606  -0.977   5.375
  217   3HB   ALA  29          3HB       ALA  29   3.664  -0.697   3.992
  218    H    TRP  30           H        TRP  30   2.045   2.142   4.987
  219    HA   TRP  30           HA       TRP  30   2.374   4.041   3.068
  220   1HB   TRP  30          2HB       TRP  30   3.996   3.850   5.610
  221   2HB   TRP  30          1HB       TRP  30   3.761   5.304   4.647
  222    HD1  TRP  30           HD       TRP  30   2.517   3.763   7.626
  223    HE1  TRP  30           1HE      TRP  30   0.198   4.668   8.297
  224    HE3  TRP  30           3HE      TRP  30   1.256   6.021   3.236
  225    HZ2  TRP  30           2HZ      TRP  30  -1.893   6.149   7.101
  226    HZ3  TRP  30           3HZ      TRP  30  -0.923   7.158   3.072
  227    HH2  TRP  30           HH       TRP  30  -2.462   7.220   4.964
  228    H    ASP  31           H        ASP  31   3.800   4.612   1.633
  229    HA   ASP  31           HA       ASP  31   5.385   3.886   0.010
  230   1HB   ASP  31          2HB       ASP  31   5.935   6.012   1.403
  231   2HB   ASP  31          1HB       ASP  31   7.207   5.014   2.101
  232    H    PHE  32           H        PHE  32   4.920   1.525   1.122
  233    HA   PHE  32           HA       PHE  32   5.798  -0.482   1.804
  234   1HB   PHE  32          2HB       PHE  32   7.925  -1.063   0.584
  235   2HB   PHE  32          1HB       PHE  32   6.621  -0.471  -0.442
  236    HD1  PHE  32           1HD      PHE  32   6.734   1.762  -1.430
  237    HD2  PHE  32           2HD      PHE  32   9.951   0.177   0.863
  238    HE1  PHE  32           1HE      PHE  32   8.231   3.490  -2.343
  239    HE2  PHE  32           2HE      PHE  32  11.453   1.902  -0.045
  240    HZ   PHE  32           HZ       PHE  32  10.594   3.560  -1.650
  241    H    THR  33           H        THR  33   6.093  -0.301   4.005
  242    HA   THR  33           HA       THR  33   8.865   0.066   4.862
  243    HB   THR  33           HB       THR  33   8.207   1.463   6.756
  244    HG1  THR  33           1HG      THR  33   6.141   0.982   7.187
  245   1HG2  THR  33          1HG2      THR  33   8.800   2.997   5.217
  246   2HG2  THR  33          2HG2      THR  33   7.085   3.400   5.311
  247   3HG2  THR  33          3HG2      THR  33   7.682   2.375   4.005
  248    H    PHE  34           H        PHE  34   9.240  -0.751   7.080
  249    HA   PHE  34           HA       PHE  34   7.267  -2.732   7.960
  250   1HB   PHE  34          2HB       PHE  34  10.029  -3.689   8.160
  251   2HB   PHE  34          1HB       PHE  34   8.581  -4.531   7.618
  252    HD1  PHE  34           1HD      PHE  34  11.664  -3.114   6.633
  253    HD2  PHE  34           2HD      PHE  34   7.722  -3.927   5.253
  254    HE1  PHE  34           1HE      PHE  34  12.450  -2.957   4.307
  255    HE2  PHE  34           2HE      PHE  34   8.500  -3.772   2.924
  256    HZ   PHE  34           HZ       PHE  34  10.868  -3.287   2.450
  257    H    SER  35           H        SER  35   6.800  -2.185   9.979
  258    HA   SER  35           HA       SER  35   9.000  -1.330  11.746
  259   1HB   SER  35          2HB       SER  35   6.084  -0.559  12.003
  260   2HB   SER  35          1HB       SER  35   7.434   0.064  12.950
  261    HG   SER  35           HG       SER  35   7.266   0.337  10.136
  Start of MODEL   13
    1    HA   GLU   1           HA       GLU   1 -10.241   3.193  -6.243
    2   1HB   GLU   1          2HB       GLU   1  -8.911   1.523  -8.139
    3   2HB   GLU   1          1HB       GLU   1  -8.120   1.317  -6.584
    4   1HG   GLU   1          2HG       GLU   1 -11.018   1.297  -6.383
    5   2HG   GLU   1          1HG       GLU   1 -10.390   0.031  -7.435
    6   1HT   GLU   1          1HT       GLU   1 -10.219   4.433  -8.004
    7   2HT   GLU   1          2HT       GLU   1  -9.332   3.197  -8.798
    8   3HT   GLU   1          3HT       GLU   1  -8.508   4.496  -8.038
    9    H    CYS   2           H        CYS   2  -8.602   2.218  -4.469
   10    HA   CYS   2           HA       CYS   2  -6.054   3.050  -4.071
   11   1HB   CYS   2          2HB       CYS   2  -6.060   5.291  -4.000
   12   2HB   CYS   2          1HB       CYS   2  -7.796   5.331  -4.181
   13    H    ARG   3           H        ARG   3  -5.969   1.311  -2.884
   14    HA   ARG   3           HA       ARG   3  -7.659   0.946  -0.596
   15   1HB   ARG   3          2HB       ARG   3  -5.765  -0.664  -2.148
   16   2HB   ARG   3          1HB       ARG   3  -5.652  -0.943  -0.418
   17   1HG   ARG   3          2HG       ARG   3  -7.468  -2.077  -2.221
   18   2HG   ARG   3          1HG       ARG   3  -7.456  -2.238  -0.467
   19   1HD   ARG   3          2HD       ARG   3  -8.998  -0.482  -0.189
   20   2HD   ARG   3          1HD       ARG   3  -8.758   0.098  -1.836
   21    HE   ARG   3           HE       ARG   3 -10.344  -1.389  -2.543
   22   1HH1  ARG   3          1HH1      ARG   3  -9.211  -2.373   0.598
   23   2HH1  ARG   3          2HH1      ARG   3 -10.377  -3.644   0.765
   24   1HH2  ARG   3          1HH2      ARG   3 -11.886  -3.054  -2.335
   25   2HH2  ARG   3          2HH2      ARG   3 -11.900  -4.031  -0.904
   26    H    TYR   4           H        TYR   4  -7.307   2.491   0.769
   27    HA   TYR   4           HA       TYR   4  -4.924   3.707   1.483
   28   1HB   TYR   4          2HB       TYR   4  -7.569   3.880   2.300
   29   2HB   TYR   4          1HB       TYR   4  -6.739   3.345   3.756
   30    HD1  TYR   4           1HD      TYR   4  -6.735   5.983   1.142
   31    HD2  TYR   4           2HD      TYR   4  -5.502   4.864   5.059
   32    HE1  TYR   4           1HE      TYR   4  -6.020   8.297   1.574
   33    HE2  TYR   4           2HE      TYR   4  -4.785   7.174   5.500
   34    HH   TYR   4           HH       TYR   4  -4.374   9.185   4.570
   35    H    LEU   5           H        LEU   5  -4.685   3.388   4.261
   36    HA   LEU   5           HA       LEU   5  -2.839   1.321   4.478
   37   1HB   LEU   5          2HB       LEU   5  -3.734   3.374   6.106
   38   2HB   LEU   5          1HB       LEU   5  -4.143   1.927   7.008
   39    HG   LEU   5           HG       LEU   5  -2.042   2.294   7.819
   40   1HD1  LEU   5          1HD1      LEU   5  -1.073   0.950   5.335
   41   2HD1  LEU   5          2HD1      LEU   5  -2.201   0.122   6.410
   42   3HD1  LEU   5          3HD1      LEU   5  -0.632   0.654   7.015
   43   1HD2  LEU   5          1HD2      LEU   5  -0.325   2.985   5.729
   44   2HD2  LEU   5          2HD2      LEU   5  -0.942   4.040   7.000
   45   3HD2  LEU   5          3HD2      LEU   5  -1.794   3.923   5.459
   46    H    PHE   6           H        PHE   6  -2.972  -0.792   4.748
   47    HA   PHE   6           HA       PHE   6  -3.750  -2.873   5.215
   48   1HB   PHE   6          2HB       PHE   6  -5.692  -1.268   6.856
   49   2HB   PHE   6          1HB       PHE   6  -5.825  -3.017   6.728
   50    HD1  PHE   6           1HD      PHE   6  -3.958  -0.240   8.135
   51    HD2  PHE   6           2HD      PHE   6  -4.085  -4.466   7.653
   52    HE1  PHE   6           1HE      PHE   6  -2.306  -0.490   9.940
   53    HE2  PHE   6           2HE      PHE   6  -2.433  -4.726   9.459
   54    HZ   PHE   6           HZ       PHE   6  -1.542  -2.735  10.605
   55    H    GLY   7           H        GLY   7  -4.705  -1.295   2.863
   56   1HA   GLY   7          2HA       GLY   7  -7.356  -2.487   2.444
   57   2HA   GLY   7          1HA       GLY   7  -6.615  -1.250   1.440
   58    H    GLY   8           H        GLY   8  -7.133  -4.602   1.887
   59   1HA   GLY   8          2HA       GLY   8  -5.222  -6.029   0.710
   60   2HA   GLY   8          1HA       GLY   8  -6.904  -6.255   0.255
   61    H    CYS   9           H        CYS   9  -3.917  -5.810  -0.976
   62    HA   CYS   9           HA       CYS   9  -4.987  -4.584  -3.430
   63   1HB   CYS   9          2HB       CYS   9  -2.626  -3.673  -3.766
   64   2HB   CYS   9          1HB       CYS   9  -3.606  -2.892  -2.528
   65    H    LYS  10           H        LYS  10  -4.265  -5.414  -5.378
   66    HA   LYS  10           HA       LYS  10  -3.122  -8.081  -5.231
   67   1HB   LYS  10          2HB       LYS  10  -5.043  -6.900  -6.858
   68   2HB   LYS  10          1HB       LYS  10  -3.645  -7.074  -7.910
   69   1HG   LYS  10          2HG       LYS  10  -5.089  -9.005  -8.087
   70   2HG   LYS  10          1HG       LYS  10  -3.542  -9.459  -7.368
   71   1HD   LYS  10          2HD       LYS  10  -4.563 -10.232  -5.550
   72   2HD   LYS  10          1HD       LYS  10  -5.375  -8.685  -5.305
   73   1HE   LYS  10          2HE       LYS  10  -7.291  -9.375  -6.306
   74   2HE   LYS  10          1HE       LYS  10  -6.446 -10.430  -7.438
   75   1HZ   LYS  10          1HZ       LYS  10  -6.798 -11.026  -4.551
   76   2HZ   LYS  10          2HZ       LYS  10  -6.161 -12.059  -5.732
   77   3HZ   LYS  10          3HZ       LYS  10  -7.797 -11.631  -5.777
   78    H    THR  11           H        THR  11  -2.249  -4.891  -6.015
   79    HA   THR  11           HA       THR  11   0.502  -5.665  -6.437
   80    HB   THR  11           HB       THR  11   0.524  -5.450  -8.659
   81    HG1  THR  11           1HG      THR  11   1.049  -3.469  -8.996
   82   1HG2  THR  11          1HG2      THR  11  -1.342  -5.315  -9.970
   83   2HG2  THR  11          2HG2      THR  11  -2.127  -4.136  -8.918
   84   3HG2  THR  11          3HG2      THR  11  -2.046  -5.831  -8.439
   85    H    THR  12           H        THR  12   1.682  -3.419  -7.077
   86    HA   THR  12           HA       THR  12   1.336  -1.787  -4.764
   87    HB   THR  12           HB       THR  12   3.092  -1.632  -7.194
   88    HG1  THR  12           1HG      THR  12   3.328  -2.788  -4.904
   89   1HG2  THR  12          1HG2      THR  12   2.979   0.415  -4.997
   90   2HG2  THR  12          2HG2      THR  12   2.543   0.676  -6.686
   91   3HG2  THR  12          3HG2      THR  12   4.213   0.306  -6.253
   92    H    SER  13           H        SER  13   0.288  -1.624  -8.076
   93    HA   SER  13           HA       SER  13  -0.550   1.109  -7.922
   94   1HB   SER  13          2HB       SER  13  -1.489  -0.767 -10.058
   95   2HB   SER  13          1HB       SER  13  -1.080   0.945 -10.177
   96    HG   SER  13           HG       SER  13   0.635  -1.287 -10.049
   97    H    ASP  14           H        ASP  14  -1.716  -1.409  -6.366
   98    HA   ASP  14           HA       ASP  14  -4.546  -0.908  -6.947
   99   1HB   ASP  14          2HB       ASP  14  -3.037  -3.151  -5.685
  100   2HB   ASP  14          1HB       ASP  14  -4.702  -2.881  -5.176
  101    H    CYS  15           H        CYS  15  -2.389   0.594  -5.161
  102    HA   CYS  15           HA       CYS  15  -4.245   0.976  -2.906
  103   1HB   CYS  15          2HB       CYS  15  -1.250   1.296  -2.743
  104   2HB   CYS  15          1HB       CYS  15  -2.400   1.282  -1.410
  105    H    CYS  16           H        CYS  16  -3.922   3.037  -1.783
  106    HA   CYS  16           HA       CYS  16  -4.420   5.189  -3.421
  107   1HB   CYS  16          2HB       CYS  16  -3.411   5.270  -0.591
  108   2HB   CYS  16          1HB       CYS  16  -4.322   6.532  -1.423
  109    H    LYS  17           H        LYS  17  -2.663   7.071  -1.918
  110    HA   LYS  17           HA       LYS  17  -0.581   7.105  -3.942
  111   1HB   LYS  17          2HB       LYS  17  -1.298   9.182  -1.871
  112   2HB   LYS  17          1HB       LYS  17  -0.176   9.400  -3.208
  113   1HG   LYS  17          2HG       LYS  17  -2.843   8.500  -4.008
  114   2HG   LYS  17          1HG       LYS  17  -2.803  10.090  -3.243
  115   1HD   LYS  17          2HD       LYS  17  -0.784  10.475  -4.875
  116   2HD   LYS  17          1HD       LYS  17  -1.542   9.167  -5.785
  117   1HE   LYS  17          2HE       LYS  17  -3.174  10.499  -6.521
  118   2HE   LYS  17          1HE       LYS  17  -3.466  11.156  -4.911
  119   1HZ   LYS  17          1HZ       LYS  17  -2.231  12.408  -7.066
  120   2HZ   LYS  17          2HZ       LYS  17  -1.034  12.168  -5.896
  121   3HZ   LYS  17          3HZ       LYS  17  -2.446  13.013  -5.499
  122    H    HIS  18           H        HIS  18  -0.493   8.088  -0.557
  123    HA   HIS  18           HA       HIS  18   2.226   7.670  -0.274
  124   1HB   HIS  18          2HB       HIS  18  -0.019   8.031   1.651
  125   2HB   HIS  18          1HB       HIS  18   1.587   7.639   2.258
  126    HD1  HIS  18           1HD      HIS  18  -0.003  10.409   2.623
  127    HD2  HIS  18           2HD      HIS  18   3.130   9.652   0.002
  128    HE1  HIS  18           1HE      HIS  18   1.019  12.653   2.131
  129    HE2  HIS  18           2HE      HIS  18   2.857  12.180   0.474
  130    H    LEU  19           H        LEU  19  -0.204   5.392  -0.457
  131    HA   LEU  19           HA       LEU  19   1.206   3.421   1.165
  132   1HB   LEU  19          2HB       LEU  19  -1.464   3.415  -0.210
  133   2HB   LEU  19          1HB       LEU  19  -0.770   1.961   0.481
  134    HG   LEU  19           HG       LEU  19  -0.665   4.063   2.421
  135   1HD1  LEU  19          1HD1      LEU  19  -3.325   3.920   2.601
  136   2HD1  LEU  19          2HD1      LEU  19  -3.154   3.875   0.846
  137   3HD1  LEU  19          3HD1      LEU  19  -2.483   5.224   1.762
  138   1HD2  LEU  19          1HD2      LEU  19  -1.376   2.420   3.812
  139   2HD2  LEU  19          2HD2      LEU  19  -0.831   1.415   2.469
  140   3HD2  LEU  19          3HD2      LEU  19  -2.545   1.788   2.652
  141    H    GLY  20           H        GLY  20   1.834   1.394   0.395
  142   1HA   GLY  20          2HA       GLY  20   2.037   1.055  -2.510
  143   2HA   GLY  20          1HA       GLY  20   3.524   1.057  -1.567
  144    H    CYS  21           H        CYS  21   1.715  -1.006  -3.116
  145    HA   CYS  21           HA       CYS  21   1.165  -2.958  -1.107
  146   1HB   CYS  21          2HB       CYS  21   0.011  -2.587  -3.417
  147   2HB   CYS  21          1HB       CYS  21   1.305  -3.614  -4.023
  148    H    LYS  22           H        LYS  22   2.661  -4.169  -0.164
  149    HA   LYS  22           HA       LYS  22   5.257  -4.528  -1.402
  150   1HB   LYS  22          2HB       LYS  22   4.365  -5.739   1.204
  151   2HB   LYS  22          1HB       LYS  22   5.998  -5.338   0.690
  152   1HG   LYS  22          2HG       LYS  22   5.813  -3.187   1.324
  153   2HG   LYS  22          1HG       LYS  22   4.122  -3.075   0.829
  154   1HD   LYS  22          2HD       LYS  22   3.677  -3.080   3.027
  155   2HD   LYS  22          1HD       LYS  22   3.993  -4.815   2.938
  156   1HE   LYS  22          2HE       LYS  22   5.338  -4.115   4.700
  157   2HE   LYS  22          1HE       LYS  22   6.452  -4.168   3.335
  158   1HZ   LYS  22          1HZ       LYS  22   6.785  -2.151   4.555
  159   2HZ   LYS  22          2HZ       LYS  22   5.146  -1.751   4.459
  160   3HZ   LYS  22          3HZ       LYS  22   6.095  -1.760   3.060
  161    H    PHE  23           H        PHE  23   6.167  -6.910  -0.789
  162    HA   PHE  23           HA       PHE  23   4.573  -8.687  -2.410
  163   1HB   PHE  23          2HB       PHE  23   7.229  -8.192  -2.414
  164   2HB   PHE  23          1HB       PHE  23   7.177  -9.610  -1.374
  165    HD1  PHE  23           1HD      PHE  23   8.046  -8.860  -4.458
  166    HD2  PHE  23           2HD      PHE  23   5.089 -11.238  -2.529
  167    HE1  PHE  23           1HE      PHE  23   7.923 -10.310  -6.443
  168    HE2  PHE  23           2HE      PHE  23   4.961 -12.691  -4.510
  169    HZ   PHE  23           HZ       PHE  23   6.379 -12.229  -6.470
  170    H    ARG  24           H        ARG  24   3.303 -10.199  -1.565
  171    HA   ARG  24           HA       ARG  24   2.644 -11.943  -0.223
  172   1HB   ARG  24          2HB       ARG  24   5.317 -11.680   0.513
  173   2HB   ARG  24          1HB       ARG  24   4.437 -11.575   2.031
  174   1HG   ARG  24          2HG       ARG  24   4.377 -13.815   0.028
  175   2HG   ARG  24          1HG       ARG  24   5.002 -13.853   1.677
  176   1HD   ARG  24          2HD       ARG  24   2.371 -12.993   1.939
  177   2HD   ARG  24          1HD       ARG  24   2.306 -14.254   0.708
  178    HE   ARG  24           HE       ARG  24   2.953 -14.577   3.512
  179   1HH1  ARG  24          1HH1      ARG  24   3.034 -15.963   0.319
  180   2HH1  ARG  24          2HH1      ARG  24   3.168 -17.593   0.886
  181   1HH2  ARG  24          1HH2      ARG  24   3.124 -16.722   4.274
  182   2HH2  ARG  24          2HH2      ARG  24   3.219 -18.026   3.136
  183    H    ASP  25           H        ASP  25   3.618  -8.942   1.395
  184    HA   ASP  25           HA       ASP  25   2.275  -8.886   3.700
  185   1HB   ASP  25          2HB       ASP  25   1.790  -6.482   3.323
  186   2HB   ASP  25          1HB       ASP  25   3.429  -6.921   2.852
  187    H    LYS  26           H        LYS  26   0.723  -8.366   0.545
  188    HA   LYS  26           HA       LYS  26  -1.384  -9.032  -0.123
  189   1HB   LYS  26          2HB       LYS  26  -1.223 -10.562   2.009
  190   2HB   LYS  26          1HB       LYS  26  -2.318  -9.370   2.698
  191   1HG   LYS  26          2HG       LYS  26  -3.586  -9.844   0.388
  192   2HG   LYS  26          1HG       LYS  26  -2.790 -11.403   0.614
  193   1HD   LYS  26          2HD       LYS  26  -3.815 -11.690   2.756
  194   2HD   LYS  26          1HD       LYS  26  -4.445 -10.042   2.733
  195   1HE   LYS  26          2HE       LYS  26  -5.818 -10.640   0.765
  196   2HE   LYS  26          1HE       LYS  26  -5.239 -12.301   0.897
  197   1HZ   LYS  26          1HZ       LYS  26  -6.542 -10.990   3.193
  198   2HZ   LYS  26          2HZ       LYS  26  -6.406 -12.639   2.846
  199   3HZ   LYS  26          3HZ       LYS  26  -7.476 -11.675   1.960
  200    H    TYR  27           H        TYR  27  -0.778  -6.743   2.417
  201    HA   TYR  27           HA       TYR  27  -3.190  -5.254   1.611
  202   1HB   TYR  27          2HB       TYR  27  -2.845  -4.031   3.822
  203   2HB   TYR  27          1HB       TYR  27  -3.400  -5.696   3.918
  204    HD1  TYR  27           1HD      TYR  27  -2.314  -7.152   5.360
  205    HD2  TYR  27           2HD      TYR  27  -0.246  -3.702   3.974
  206    HE1  TYR  27           1HE      TYR  27  -0.435  -7.686   6.852
  207    HE2  TYR  27           2HE      TYR  27   1.640  -4.229   5.462
  208    HH   TYR  27           HH       TYR  27   1.458  -6.832   7.807
  209    H    CYS  28           H        CYS  28  -2.703  -2.780   2.446
  210    HA   CYS  28           HA       CYS  28  -0.388  -1.960   0.824
  211   1HB   CYS  28          2HB       CYS  28  -2.828  -0.334   1.565
  212   2HB   CYS  28          1HB       CYS  28  -1.541   0.159   0.471
  213    H    ALA  29           H        ALA  29   1.246  -0.891   1.729
  214    HA   ALA  29           HA       ALA  29   0.844   0.306   4.388
  215   1HB   ALA  29          1HB       ALA  29   3.407  -1.062   3.639
  216   2HB   ALA  29          2HB       ALA  29   2.072  -1.944   4.379
  217   3HB   ALA  29          3HB       ALA  29   2.824  -0.600   5.237
  218    H    TRP  30           H        TRP  30   1.961   2.208   4.785
  219    HA   TRP  30           HA       TRP  30   2.309   4.064   2.895
  220   1HB   TRP  30          2HB       TRP  30   4.069   3.687   5.319
  221   2HB   TRP  30          1HB       TRP  30   4.049   5.146   4.337
  222    HD1  TRP  30           HD       TRP  30   2.939   4.355   7.493
  223    HE1  TRP  30           1HE      TRP  30   0.708   5.458   8.157
  224    HE3  TRP  30           3HE      TRP  30   1.244   5.597   2.840
  225    HZ2  TRP  30           2HZ      TRP  30  -1.479   6.690   6.869
  226    HZ3  TRP  30           3HZ      TRP  30  -0.928   6.734   2.641
  227    HH2  TRP  30           HH       TRP  30  -2.260   7.268   4.615
  228    H    ASP  31           H        ASP  31   3.797   4.773   1.465
  229    HA   ASP  31           HA       ASP  31   6.373   4.400   1.031
  230   1HB   ASP  31          2HB       ASP  31   5.042   1.784   0.736
  231   2HB   ASP  31          1HB       ASP  31   6.139   2.209  -0.575
  232    H    PHE  32           H        PHE  32   6.226   6.102  -0.329
  233    HA   PHE  32           HA       PHE  32   5.162   5.593  -2.968
  234   1HB   PHE  32          2HB       PHE  32   3.306   6.681  -1.851
  235   2HB   PHE  32          1HB       PHE  32   4.366   7.968  -1.282
  236    HD1  PHE  32           1HD      PHE  32   3.096   9.746  -2.256
  237    HD2  PHE  32           2HD      PHE  32   4.581   6.569  -4.666
  238    HE1  PHE  32           1HE      PHE  32   2.594  11.053  -4.279
  239    HE2  PHE  32           2HE      PHE  32   4.083   7.871  -6.695
  240    HZ   PHE  32           HZ       PHE  32   3.089  10.116  -6.502
  241    H    THR  33           H        THR  33   6.905   5.842  -4.199
  242    HA   THR  33           HA       THR  33   8.744   8.058  -3.605
  243    HB   THR  33           HB       THR  33  10.465   6.829  -4.715
  244    HG1  THR  33           1HG      THR  33   9.473   5.926  -6.441
  245   1HG2  THR  33          1HG2      THR  33  10.637   5.755  -2.770
  246   2HG2  THR  33          2HG2      THR  33   9.931   4.394  -3.640
  247   3HG2  THR  33          3HG2      THR  33   8.903   5.449  -2.671
  248    H    PHE  34           H        PHE  34   9.856   8.963  -5.593
  249    HA   PHE  34           HA       PHE  34   7.874   9.311  -7.745
  250   1HB   PHE  34          2HB       PHE  34   8.568  11.282  -6.124
  251   2HB   PHE  34          1HB       PHE  34   9.957  11.384  -7.201
  252    HD1  PHE  34           1HD      PHE  34   8.489  10.575  -9.744
  253    HD2  PHE  34           2HD      PHE  34   7.554  13.344  -6.651
  254    HE1  PHE  34           1HE      PHE  34   7.155  11.896 -11.335
  255    HE2  PHE  34           2HE      PHE  34   6.216  14.669  -8.235
  256    HZ   PHE  34           HZ       PHE  34   6.018  13.945 -10.581
  257    H    SER  35           H        SER  35   9.801   7.242  -7.733
  258    HA   SER  35           HA       SER  35  11.004   7.686 -10.282
  259   1HB   SER  35          2HB       SER  35  12.601   8.787  -8.584
  260   2HB   SER  35          1HB       SER  35  12.980   7.142  -8.074
  261    HG   SER  35           HG       SER  35  14.401   7.952  -9.709
  Start of MODEL   14
    1    HA   GLU   1           HA       GLU   1 -10.123   3.283  -6.607
    2   1HB   GLU   1          2HB       GLU   1 -11.863   4.045  -4.901
    3   2HB   GLU   1          1HB       GLU   1 -12.416   2.944  -6.157
    4   1HG   GLU   1          2HG       GLU   1 -12.534   1.136  -4.681
    5   2HG   GLU   1          1HG       GLU   1 -11.542   1.947  -3.472
    6   1HT   GLU   1          1HT       GLU   1 -10.365   0.825  -5.006
    7   2HT   GLU   1          2HT       GLU   1  -9.192   1.145  -6.217
    8   3HT   GLU   1          3HT       GLU   1 -10.849   1.018  -6.639
    9    H    CYS   2           H        CYS   2  -7.862   2.313  -5.460
   10    HA   CYS   2           HA       CYS   2  -6.151   2.962  -4.107
   11   1HB   CYS   2          2HB       CYS   2  -6.180   5.202  -4.015
   12   2HB   CYS   2          1HB       CYS   2  -7.915   5.227  -4.201
   13    H    ARG   3           H        ARG   3  -5.929   1.335  -2.855
   14    HA   ARG   3           HA       ARG   3  -7.637   0.868  -0.585
   15   1HB   ARG   3          2HB       ARG   3  -5.634  -0.644  -2.117
   16   2HB   ARG   3          1HB       ARG   3  -5.575  -0.934  -0.386
   17   1HG   ARG   3          2HG       ARG   3  -7.256  -2.141  -2.251
   18   2HG   ARG   3          1HG       ARG   3  -7.343  -2.276  -0.496
   19   1HD   ARG   3          2HD       ARG   3  -9.007  -0.658  -0.329
   20   2HD   ARG   3          1HD       ARG   3  -8.621   0.038  -1.903
   21    HE   ARG   3           HE       ARG   3  -9.488  -2.565  -2.354
   22   1HH1  ARG   3          1HH1      ARG   3 -10.781   0.407  -1.078
   23   2HH1  ARG   3          2HH1      ARG   3 -12.402   0.069  -1.588
   24   1HH2  ARG   3          1HH2      ARG   3 -11.614  -3.017  -3.028
   25   2HH2  ARG   3          2HH2      ARG   3 -12.875  -1.877  -2.697
   26    H    TYR   4           H        TYR   4  -7.372   2.308   0.877
   27    HA   TYR   4           HA       TYR   4  -5.098   3.727   1.578
   28   1HB   TYR   4          2HB       TYR   4  -7.720   3.544   2.490
   29   2HB   TYR   4          1HB       TYR   4  -6.770   3.066   3.889
   30    HD1  TYR   4           1HD      TYR   4  -8.472   5.424   3.971
   31    HD2  TYR   4           2HD      TYR   4  -4.445   5.053   2.654
   32    HE1  TYR   4           1HE      TYR   4  -8.086   7.794   4.498
   33    HE2  TYR   4           2HE      TYR   4  -4.048   7.418   3.177
   34    HH   TYR   4           HH       TYR   4  -6.315   9.312   4.954
   35    H    LEU   5           H        LEU   5  -4.804   3.297   4.347
   36    HA   LEU   5           HA       LEU   5  -2.754   1.362   4.389
   37   1HB   LEU   5          2HB       LEU   5  -3.286   3.451   5.931
   38   2HB   LEU   5          1HB       LEU   5  -4.053   2.226   6.925
   39    HG   LEU   5           HG       LEU   5  -1.529   1.184   6.272
   40   1HD1  LEU   5          1HD1      LEU   5   0.009   2.809   6.351
   41   2HD1  LEU   5          2HD1      LEU   5  -0.885   3.735   7.558
   42   3HD1  LEU   5          3HD1      LEU   5  -1.317   3.858   5.853
   43   1HD2  LEU   5          1HD2      LEU   5  -2.281   0.618   8.348
   44   2HD2  LEU   5          2HD2      LEU   5  -2.915   2.228   8.683
   45   3HD2  LEU   5          3HD2      LEU   5  -1.181   1.923   8.787
   46    H    PHE   6           H        PHE   6  -2.873  -0.765   4.546
   47    HA   PHE   6           HA       PHE   6  -3.493  -2.849   5.247
   48   1HB   PHE   6          2HB       PHE   6  -4.409  -1.305   7.304
   49   2HB   PHE   6          1HB       PHE   6  -5.901  -2.052   6.741
   50    HD1  PHE   6           1HD      PHE   6  -2.629  -2.643   8.261
   51    HD2  PHE   6           2HD      PHE   6  -6.259  -4.432   6.943
   52    HE1  PHE   6           1HE      PHE   6  -2.064  -4.695   9.498
   53    HE2  PHE   6           2HE      PHE   6  -5.701  -6.485   8.179
   54    HZ   PHE   6           HZ       PHE   6  -3.601  -6.618   9.459
   55    H    GLY   7           H        GLY   7  -4.619  -1.352   2.928
   56   1HA   GLY   7          2HA       GLY   7  -7.259  -2.593   2.650
   57   2HA   GLY   7          1HA       GLY   7  -6.560  -1.395   1.570
   58    H    GLY   8           H        GLY   8  -7.753  -4.174   1.200
   59   1HA   GLY   8          2HA       GLY   8  -5.763  -5.982   0.416
   60   2HA   GLY   8          1HA       GLY   8  -7.410  -5.964  -0.197
   61    H    CYS   9           H        CYS   9  -4.282  -5.846  -1.128
   62    HA   CYS   9           HA       CYS   9  -4.988  -4.483  -3.633
   63   1HB   CYS   9          2HB       CYS   9  -2.648  -3.558  -3.689
   64   2HB   CYS   9          1HB       CYS   9  -3.694  -2.854  -2.461
   65    H    LYS  10           H        LYS  10  -4.409  -5.531  -5.434
   66    HA   LYS  10           HA       LYS  10  -3.117  -8.107  -5.180
   67   1HB   LYS  10          2HB       LYS  10  -4.871  -6.806  -7.085
   68   2HB   LYS  10          1HB       LYS  10  -3.511  -7.572  -7.895
   69   1HG   LYS  10          2HG       LYS  10  -4.344  -9.480  -6.083
   70   2HG   LYS  10          1HG       LYS  10  -5.847  -8.756  -6.658
   71   1HD   LYS  10          2HD       LYS  10  -4.686  -9.028  -9.007
   72   2HD   LYS  10          1HD       LYS  10  -3.767 -10.273  -8.160
   73   1HE   LYS  10          2HE       LYS  10  -5.974 -11.232  -7.415
   74   2HE   LYS  10          1HE       LYS  10  -6.751 -10.110  -8.535
   75   1HZ   LYS  10          1HZ       LYS  10  -4.778 -12.209  -9.266
   76   2HZ   LYS  10          2HZ       LYS  10  -5.499 -11.125 -10.345
   77   3HZ   LYS  10          3HZ       LYS  10  -6.445 -12.275  -9.545
   78    H    THR  11           H        THR  11  -2.260  -4.920  -5.916
   79    HA   THR  11           HA       THR  11   0.484  -5.685  -6.379
   80    HB   THR  11           HB       THR  11   0.481  -5.462  -8.600
   81    HG1  THR  11           1HG      THR  11   0.000  -3.269  -9.416
   82   1HG2  THR  11          1HG2      THR  11  -2.330  -4.465  -8.315
   83   2HG2  THR  11          2HG2      THR  11  -1.782  -6.040  -8.889
   84   3HG2  THR  11          3HG2      THR  11  -1.510  -4.599  -9.871
   85    H    THR  12           H        THR  12   1.698  -3.487  -6.964
   86    HA   THR  12           HA       THR  12   1.353  -1.843  -4.656
   87    HB   THR  12           HB       THR  12   3.137  -1.674  -7.076
   88    HG1  THR  12           1HG      THR  12   4.406  -2.756  -5.830
   89   1HG2  THR  12          1HG2      THR  12   2.418   0.514  -5.455
   90   2HG2  THR  12          2HG2      THR  12   3.677   0.422  -6.687
   91   3HG2  THR  12          3HG2      THR  12   4.053   0.034  -5.008
   92    H    SER  13           H        SER  13   0.449  -1.629  -8.016
   93    HA   SER  13           HA       SER  13  -0.339   1.119  -7.855
   94   1HB   SER  13          2HB       SER  13   0.533   0.013  -9.947
   95   2HB   SER  13          1HB       SER  13  -1.003  -0.852 -10.041
   96    HG   SER  13           HG       SER  13  -0.480   1.893 -10.349
   97    H    ASP  14           H        ASP  14  -1.630  -1.452  -6.461
   98    HA   ASP  14           HA       ASP  14  -4.415  -0.856  -7.140
   99   1HB   ASP  14          2HB       ASP  14  -3.002  -3.180  -5.923
  100   2HB   ASP  14          1HB       ASP  14  -4.670  -2.893  -5.433
  101    H    CYS  15           H        CYS  15  -2.373   0.634  -5.284
  102    HA   CYS  15           HA       CYS  15  -4.266   0.902  -3.050
  103   1HB   CYS  15          2HB       CYS  15  -1.276   1.250  -2.838
  104   2HB   CYS  15          1HB       CYS  15  -2.441   1.280  -1.518
  105    H    CYS  16           H        CYS  16  -3.999   2.942  -1.852
  106    HA   CYS  16           HA       CYS  16  -4.582   5.116  -3.413
  107   1HB   CYS  16          2HB       CYS  16  -3.540   5.125  -0.594
  108   2HB   CYS  16          1HB       CYS  16  -4.449   6.419  -1.372
  109    H    LYS  17           H        LYS  17  -2.872   7.030  -1.917
  110    HA   LYS  17           HA       LYS  17  -0.852   7.193  -3.992
  111   1HB   LYS  17          2HB       LYS  17  -2.329   9.071  -2.371
  112   2HB   LYS  17          1HB       LYS  17  -0.608   9.417  -2.311
  113   1HG   LYS  17          2HG       LYS  17  -2.071   9.012  -4.899
  114   2HG   LYS  17          1HG       LYS  17  -1.955  10.584  -4.108
  115   1HD   LYS  17          2HD       LYS  17   0.611   9.995  -4.055
  116   2HD   LYS  17          1HD       LYS  17   0.169   8.941  -5.400
  117   1HE   LYS  17          2HE       LYS  17  -0.314  10.684  -6.785
  118   2HE   LYS  17          1HE       LYS  17  -0.839  11.729  -5.466
  119   1HZ   LYS  17          1HZ       LYS  17   1.443  12.104  -4.858
  120   2HZ   LYS  17          2HZ       LYS  17   1.244  12.468  -6.499
  121   3HZ   LYS  17          3HZ       LYS  17   1.987  11.021  -6.038
  122    H    HIS  18           H        HIS  18  -0.728   8.034  -0.561
  123    HA   HIS  18           HA       HIS  18   2.032   7.758  -0.402
  124   1HB   HIS  18          2HB       HIS  18  -0.002   7.737   1.815
  125   2HB   HIS  18          1HB       HIS  18   1.726   7.996   2.027
  126    HD1  HIS  18           1HD      HIS  18  -1.362   9.661   0.686
  127    HD2  HIS  18           2HD      HIS  18   2.622  10.560   1.448
  128    HE1  HIS  18           1HE      HIS  18  -1.176  12.156   0.426
  129    HE2  HIS  18           2HE      HIS  18   1.260  12.668   0.818
  130    H    LEU  19           H        LEU  19  -0.273   5.354  -0.539
  131    HA   LEU  19           HA       LEU  19   1.241   3.492   1.115
  132   1HB   LEU  19          2HB       LEU  19  -1.430   3.368  -0.237
  133   2HB   LEU  19          1HB       LEU  19  -0.652   1.909   0.344
  134    HG   LEU  19           HG       LEU  19  -0.685   3.977   2.374
  135   1HD1  LEU  19          1HD1      LEU  19  -2.709   4.746   1.403
  136   2HD1  LEU  19          2HD1      LEU  19  -3.134   3.767   2.809
  137   3HD1  LEU  19          3HD1      LEU  19  -3.300   3.097   1.185
  138   1HD2  LEU  19          1HD2      LEU  19  -2.121   1.379   2.571
  139   2HD2  LEU  19          2HD2      LEU  19  -1.136   2.220   3.769
  140   3HD2  LEU  19          3HD2      LEU  19  -0.363   1.375   2.430
  141    H    GLY  20           H        GLY  20   1.748   1.367   0.359
  142   1HA   GLY  20          2HA       GLY  20   2.109   1.016  -2.516
  143   2HA   GLY  20          1HA       GLY  20   3.563   1.035  -1.525
  144    H    CYS  21           H        CYS  21   1.520  -1.002  -2.999
  145    HA   CYS  21           HA       CYS  21   0.997  -2.912  -0.981
  146   1HB   CYS  21          2HB       CYS  21  -0.147  -2.602  -3.282
  147   2HB   CYS  21          1HB       CYS  21   1.163  -3.605  -3.894
  148    H    LYS  22           H        LYS  22   1.932  -4.975  -0.674
  149    HA   LYS  22           HA       LYS  22   4.557  -5.431  -1.876
  150   1HB   LYS  22          2HB       LYS  22   5.328  -6.094   0.519
  151   2HB   LYS  22          1HB       LYS  22   5.339  -4.400   0.045
  152   1HG   LYS  22          2HG       LYS  22   2.806  -4.798   1.097
  153   2HG   LYS  22          1HG       LYS  22   3.876  -5.720   2.155
  154   1HD   LYS  22          2HD       LYS  22   4.506  -2.895   1.353
  155   2HD   LYS  22          1HD       LYS  22   3.458  -3.256   2.727
  156   1HE   LYS  22          2HE       LYS  22   6.295  -4.218   2.368
  157   2HE   LYS  22          1HE       LYS  22   5.781  -2.904   3.425
  158   1HZ   LYS  22          1HZ       LYS  22   5.790  -4.593   4.913
  159   2HZ   LYS  22          2HZ       LYS  22   5.476  -5.788   3.759
  160   3HZ   LYS  22          3HZ       LYS  22   4.217  -4.815   4.331
  161    H    PHE  23           H        PHE  23   4.756  -7.472  -2.508
  162    HA   PHE  23           HA       PHE  23   2.749  -9.386  -2.058
  163   1HB   PHE  23          2HB       PHE  23   5.120  -9.149  -3.664
  164   2HB   PHE  23          1HB       PHE  23   5.057 -10.743  -2.920
  165    HD1  PHE  23           1HD      PHE  23   3.087 -12.203  -3.315
  166    HD2  PHE  23           2HD      PHE  23   3.670  -8.556  -5.429
  167    HE1  PHE  23           1HE      PHE  23   1.473 -12.939  -5.021
  168    HE2  PHE  23           2HE      PHE  23   2.057  -9.284  -7.138
  169    HZ   PHE  23           HZ       PHE  23   0.956 -11.478  -6.935
  170    H    ARG  24           H        ARG  24   2.612  -9.540   0.233
  171    HA   ARG  24           HA       ARG  24   3.834 -11.753   1.360
  172   1HB   ARG  24          2HB       ARG  24   5.798 -10.008   1.241
  173   2HB   ARG  24          1HB       ARG  24   5.024  -9.337   2.670
  174   1HG   ARG  24          2HG       ARG  24   5.369 -12.224   2.816
  175   2HG   ARG  24          1HG       ARG  24   6.891 -11.347   2.639
  176   1HD   ARG  24          2HD       ARG  24   6.701 -10.339   4.666
  177   2HD   ARG  24          1HD       ARG  24   4.941 -10.270   4.586
  178    HE   ARG  24           HE       ARG  24   4.830 -12.373   5.548
  179   1HH1  ARG  24          1HH1      ARG  24   8.129 -11.544   4.800
  180   2HH1  ARG  24          2HH1      ARG  24   8.803 -12.842   5.727
  181   1HH2  ARG  24          1HH2      ARG  24   5.708 -14.088   6.776
  182   2HH2  ARG  24          2HH2      ARG  24   7.427 -14.289   6.849
  183    H    ASP  25           H        ASP  25   2.616  -8.511   2.064
  184    HA   ASP  25           HA       ASP  25   1.257  -9.513   4.450
  185   1HB   ASP  25          2HB       ASP  25   1.740  -6.744   3.358
  186   2HB   ASP  25          1HB       ASP  25   0.610  -7.041   4.676
  187    H    LYS  26           H        LYS  26   0.644  -8.372   1.216
  188    HA   LYS  26           HA       LYS  26  -1.191  -8.855  -0.100
  189   1HB   LYS  26          2HB       LYS  26  -1.779 -10.466   1.939
  190   2HB   LYS  26          1HB       LYS  26  -3.024  -9.253   2.207
  191   1HG   LYS  26          2HG       LYS  26  -4.197  -9.852   0.377
  192   2HG   LYS  26          1HG       LYS  26  -2.750 -10.231  -0.560
  193   1HD   LYS  26          2HD       LYS  26  -2.548 -12.362   0.415
  194   2HD   LYS  26          1HD       LYS  26  -3.666 -11.960   1.721
  195   1HE   LYS  26          2HE       LYS  26  -5.531 -12.002   0.258
  196   2HE   LYS  26          1HE       LYS  26  -4.497 -12.035  -1.170
  197   1HZ   LYS  26          1HZ       LYS  26  -5.517 -14.207  -0.566
  198   2HZ   LYS  26          2HZ       LYS  26  -4.580 -14.214   0.841
  199   3HZ   LYS  26          3HZ       LYS  26  -3.829 -14.243  -0.674
  200    H    TYR  27           H        TYR  27  -1.290  -6.798   2.705
  201    HA   TYR  27           HA       TYR  27  -3.387  -5.157   1.489
  202   1HB   TYR  27          2HB       TYR  27  -3.331  -3.891   3.635
  203   2HB   TYR  27          1HB       TYR  27  -3.728  -5.587   3.829
  204    HD1  TYR  27           1HD      TYR  27  -2.578  -6.864   5.395
  205    HD2  TYR  27           2HD      TYR  27  -0.839  -3.243   3.993
  206    HE1  TYR  27           1HE      TYR  27  -0.776  -7.096   7.052
  207    HE2  TYR  27           2HE      TYR  27   0.970  -3.465   5.643
  208    HH   TYR  27           HH       TYR  27   1.992  -5.792   6.954
  209    H    CYS  28           H        CYS  28  -2.816  -2.680   2.342
  210    HA   CYS  28           HA       CYS  28  -0.400  -2.032   0.801
  211   1HB   CYS  28          2HB       CYS  28  -2.696  -0.199   1.504
  212   2HB   CYS  28          1HB       CYS  28  -1.399   0.118   0.355
  213    H    ALA  29           H        ALA  29   1.205  -0.765   1.624
  214    HA   ALA  29           HA       ALA  29   0.856   0.340   4.319
  215   1HB   ALA  29          1HB       ALA  29   2.434  -1.958   3.692
  216   2HB   ALA  29          2HB       ALA  29   2.169  -1.184   5.253
  217   3HB   ALA  29          3HB       ALA  29   3.491  -0.646   4.216
  218    H    TRP  30           H        TRP  30   2.020   2.188   4.732
  219    HA   TRP  30           HA       TRP  30   2.549   3.994   2.813
  220   1HB   TRP  30          2HB       TRP  30   4.169   3.652   5.344
  221   2HB   TRP  30          1HB       TRP  30   4.121   5.111   4.361
  222    HD1  TRP  30           HD       TRP  30   2.987   4.363   7.499
  223    HE1  TRP  30           1HE      TRP  30   0.687   5.352   8.091
  224    HE3  TRP  30           3HE      TRP  30   1.279   5.334   2.778
  225    HZ2  TRP  30           2HZ      TRP  30  -1.554   6.400   6.739
  226    HZ3  TRP  30           3HZ      TRP  30  -0.958   6.325   2.518
  227    HH2  TRP  30           HH       TRP  30  -2.342   6.847   4.455
  228    H    ASP  31           H        ASP  31   4.306   4.708   1.609
  229    HA   ASP  31           HA       ASP  31   6.870   3.652   1.592
  230   1HB   ASP  31          2HB       ASP  31   4.957   1.873   0.436
  231   2HB   ASP  31          1HB       ASP  31   6.004   2.475  -0.843
  232    H    PHE  32           H        PHE  32   7.070   5.931   1.285
  233    HA   PHE  32           HA       PHE  32   7.740   6.725  -1.269
  234   1HB   PHE  32          2HB       PHE  32   5.105   6.577  -1.364
  235   2HB   PHE  32          1HB       PHE  32   5.200   8.146  -0.577
  236    HD1  PHE  32           1HD      PHE  32   6.475   9.991  -1.713
  237    HD2  PHE  32           2HD      PHE  32   5.447   6.355  -3.671
  238    HE1  PHE  32           1HE      PHE  32   6.822  11.074  -3.894
  239    HE2  PHE  32           2HE      PHE  32   5.794   7.431  -5.858
  240    HZ   PHE  32           HZ       PHE  32   6.483   9.793  -5.971
  241    H    THR  33           H        THR  33   9.465   7.672  -0.222
  242    HA   THR  33           HA       THR  33   8.822   9.995   1.466
  243    HB   THR  33           HB       THR  33  11.065   9.663   2.509
  244    HG1  THR  33           1HG      THR  33  12.287   8.006   1.966
  245   1HG2  THR  33          1HG2      THR  33   8.774   7.909   2.846
  246   2HG2  THR  33          2HG2      THR  33   9.771   8.723   4.051
  247   3HG2  THR  33          3HG2      THR  33  10.292   7.181   3.369
  248    H    PHE  34           H        PHE  34  12.093   9.521   0.574
  249    HA   PHE  34           HA       PHE  34  13.516  10.644  -0.800
  250   1HB   PHE  34          2HB       PHE  34  10.962  10.773  -2.354
  251   2HB   PHE  34          1HB       PHE  34  12.329  11.748  -2.879
  252    HD1  PHE  34           1HD      PHE  34  10.803   8.543  -2.961
  253    HD2  PHE  34           2HD      PHE  34  14.549  10.537  -3.273
  254    HE1  PHE  34           1HE      PHE  34  11.743   6.587  -4.122
  255    HE2  PHE  34           2HE      PHE  34  15.496   8.586  -4.433
  256    HZ   PHE  34           HZ       PHE  34  14.094   6.607  -4.859
  257    H    SER  35           H        SER  35  14.399  12.430   0.004
  258    HA   SER  35           HA       SER  35  12.819  14.900   0.018
  259   1HB   SER  35          2HB       SER  35  14.626  14.259   2.337
  260   2HB   SER  35          1HB       SER  35  13.328  15.449   2.242
  261    HG   SER  35           HG       SER  35  11.838  13.739   2.222
  Start of MODEL   15
    1    HA   GLU   1           HA       GLU   1 -10.668   2.226  -5.250
    2   1HB   GLU   1          2HB       GLU   1 -10.005  -0.725  -5.109
    3   2HB   GLU   1          1HB       GLU   1 -11.013   0.149  -3.963
    4   1HG   GLU   1          2HG       GLU   1 -11.604  -0.276  -6.883
    5   2HG   GLU   1          1HG       GLU   1 -12.363  -1.115  -5.530
    6   1HT   GLU   1          1HT       GLU   1  -8.929   2.132  -6.970
    7   2HT   GLU   1          2HT       GLU   1 -10.413   1.370  -7.371
    8   3HT   GLU   1          3HT       GLU   1  -9.057   0.424  -6.917
    9    H    CYS   2           H        CYS   2  -8.602   3.503  -5.094
   10    HA   CYS   2           HA       CYS   2  -6.186   2.808  -4.154
   11   1HB   CYS   2          2HB       CYS   2  -6.016   5.028  -3.934
   12   2HB   CYS   2          1HB       CYS   2  -7.739   5.160  -4.170
   13    H    ARG   3           H        ARG   3  -5.966   1.074  -2.979
   14    HA   ARG   3           HA       ARG   3  -7.415   0.627  -0.569
   15   1HB   ARG   3          2HB       ARG   3  -5.358  -0.810  -2.146
   16   2HB   ARG   3          1HB       ARG   3  -5.387  -1.158  -0.424
   17   1HG   ARG   3          2HG       ARG   3  -7.151  -2.066  -2.529
   18   2HG   ARG   3          1HG       ARG   3  -6.942  -2.683  -0.892
   19   1HD   ARG   3          2HD       ARG   3  -8.471  -1.011  -0.031
   20   2HD   ARG   3          1HD       ARG   3  -8.613  -0.283  -1.630
   21    HE   ARG   3           HE       ARG   3  -9.369  -3.061  -1.538
   22   1HH1  ARG   3          1HH1      ARG   3 -10.442   0.223  -1.118
   23   2HH1  ARG   3          2HH1      ARG   3 -12.101  -0.137  -1.459
   24   1HH2  ARG   3          1HH2      ARG   3 -11.551  -3.549  -1.994
   25   2HH2  ARG   3          2HH2      ARG   3 -12.730  -2.283  -1.961
   26    H    TYR   4           H        TYR   4  -7.113   2.205   0.773
   27    HA   TYR   4           HA       TYR   4  -4.716   3.492   1.401
   28   1HB   TYR   4          2HB       TYR   4  -7.420   3.485   2.353
   29   2HB   TYR   4          1HB       TYR   4  -6.334   3.425   3.738
   30    HD1  TYR   4           1HD      TYR   4  -7.966   5.545   1.463
   31    HD2  TYR   4           2HD      TYR   4  -4.332   5.143   3.640
   32    HE1  TYR   4           1HE      TYR   4  -7.576   7.965   1.248
   33    HE2  TYR   4           2HE      TYR   4  -3.932   7.561   3.431
   34    HH   TYR   4           HH       TYR   4  -5.116   9.594   3.019
   35    H    LEU   5           H        LEU   5  -4.535   3.266   4.208
   36    HA   LEU   5           HA       LEU   5  -2.688   1.208   4.523
   37   1HB   LEU   5          2HB       LEU   5  -3.765   3.264   6.128
   38   2HB   LEU   5          1HB       LEU   5  -3.945   1.777   7.040
   39    HG   LEU   5           HG       LEU   5  -1.382   1.508   6.257
   40   1HD1  LEU   5          1HD1      LEU   5  -0.236   3.465   6.002
   41   2HD1  LEU   5          2HD1      LEU   5  -1.429   4.409   6.894
   42   3HD1  LEU   5          3HD1      LEU   5  -1.762   3.909   5.236
   43   1HD2  LEU   5          1HD2      LEU   5  -2.737   1.905   8.611
   44   2HD2  LEU   5          2HD2      LEU   5  -1.585   3.240   8.592
   45   3HD2  LEU   5          3HD2      LEU   5  -1.011   1.578   8.457
   46    H    PHE   6           H        PHE   6  -2.867  -0.914   4.762
   47    HA   PHE   6           HA       PHE   6  -3.693  -2.982   5.237
   48   1HB   PHE   6          2HB       PHE   6  -4.740  -1.359   7.251
   49   2HB   PHE   6          1HB       PHE   6  -6.126  -2.253   6.638
   50    HD1  PHE   6           1HD      PHE   6  -6.591  -4.279   7.603
   51    HD2  PHE   6           2HD      PHE   6  -2.576  -2.869   7.610
   52    HE1  PHE   6           1HE      PHE   6  -5.908  -6.243   8.918
   53    HE2  PHE   6           2HE      PHE   6  -1.885  -4.830   8.926
   54    HZ   PHE   6           HZ       PHE   6  -3.552  -6.520   9.581
   55    H    GLY   7           H        GLY   7  -4.495  -1.528   2.865
   56   1HA   GLY   7          2HA       GLY   7  -7.246  -2.472   2.447
   57   2HA   GLY   7          1HA       GLY   7  -6.391  -1.329   1.425
   58    H    GLY   8           H        GLY   8  -7.640  -4.295   1.381
   59   1HA   GLY   8          2HA       GLY   8  -5.727  -6.071   0.480
   60   2HA   GLY   8          1HA       GLY   8  -7.396  -6.062  -0.070
   61    H    CYS   9           H        CYS   9  -4.199  -5.713  -0.995
   62    HA   CYS   9           HA       CYS   9  -5.023  -4.489  -3.546
   63   1HB   CYS   9          2HB       CYS   9  -2.687  -3.596  -3.707
   64   2HB   CYS   9          1HB       CYS   9  -3.643  -2.891  -2.407
   65    H    LYS  10           H        LYS  10  -4.357  -5.438  -5.407
   66    HA   LYS  10           HA       LYS  10  -3.186  -8.088  -5.170
   67   1HB   LYS  10          2HB       LYS  10  -5.206  -7.195  -6.719
   68   2HB   LYS  10          1HB       LYS  10  -3.863  -6.989  -7.837
   69   1HG   LYS  10          2HG       LYS  10  -3.728  -9.566  -6.569
   70   2HG   LYS  10          1HG       LYS  10  -5.305  -9.318  -7.320
   71   1HD   LYS  10          2HD       LYS  10  -3.644  -8.367  -9.249
   72   2HD   LYS  10          1HD       LYS  10  -2.656  -9.651  -8.547
   73   1HE   LYS  10          2HE       LYS  10  -5.117 -10.837  -8.752
   74   2HE   LYS  10          1HE       LYS  10  -5.073  -9.812 -10.184
   75   1HZ   LYS  10          1HZ       LYS  10  -2.911 -11.709  -9.453
   76   2HZ   LYS  10          2HZ       LYS  10  -3.079 -10.858 -10.905
   77   3HZ   LYS  10          3HZ       LYS  10  -4.173 -12.088 -10.515
   78    H    THR  11           H        THR  11  -2.380  -4.912  -6.089
   79    HA   THR  11           HA       THR  11   0.381  -5.681  -6.544
   80    HB   THR  11           HB       THR  11   0.300  -5.463  -8.764
   81    HG1  THR  11           1HG      THR  11  -0.138  -3.233  -9.537
   82   1HG2  THR  11          1HG2      THR  11  -1.594  -5.154 -10.015
   83   2HG2  THR  11          2HG2      THR  11  -2.268  -3.973  -8.891
   84   3HG2  THR  11          3HG2      THR  11  -2.277  -5.687  -8.477
   85    H    THR  12           H        THR  12   1.605  -3.515  -7.094
   86    HA   THR  12           HA       THR  12   1.303  -1.891  -4.778
   87    HB   THR  12           HB       THR  12   3.032  -1.674  -7.232
   88    HG1  THR  12           1HG      THR  12   4.634  -2.212  -5.782
   89   1HG2  THR  12          1HG2      THR  12   3.455   0.449  -6.837
   90   2HG2  THR  12          2HG2      THR  12   4.051   0.002  -5.237
   91   3HG2  THR  12          3HG2      THR  12   2.358   0.449  -5.456
   92    H    SER  13           H        SER  13   0.318  -1.588  -8.119
   93    HA   SER  13           HA       SER  13  -0.465   1.151  -7.872
   94   1HB   SER  13          2HB       SER  13   0.252  -0.200 -10.014
   95   2HB   SER  13          1HB       SER  13  -1.465  -0.596 -10.080
   96    HG   SER  13           HG       SER  13  -0.980   2.056  -9.624
   97    H    ASP  14           H        ASP  14  -1.701  -1.445  -6.471
   98    HA   ASP  14           HA       ASP  14  -4.511  -0.884  -7.027
   99   1HB   ASP  14          2HB       ASP  14  -3.078  -3.098  -5.574
  100   2HB   ASP  14          1HB       ASP  14  -4.819  -2.878  -5.423
  101    H    CYS  15           H        CYS  15  -2.321   0.547  -5.174
  102    HA   CYS  15           HA       CYS  15  -4.206   0.928  -2.942
  103   1HB   CYS  15          2HB       CYS  15  -1.215   1.289  -2.759
  104   2HB   CYS  15          1HB       CYS  15  -2.372   1.252  -1.431
  105    H    CYS  16           H        CYS  16  -3.830   2.986  -1.775
  106    HA   CYS  16           HA       CYS  16  -4.393   5.136  -3.420
  107   1HB   CYS  16          2HB       CYS  16  -3.381   5.252  -0.597
  108   2HB   CYS  16          1HB       CYS  16  -4.351   6.468  -1.429
  109    H    LYS  17           H        LYS  17  -2.693   7.053  -1.939
  110    HA   LYS  17           HA       LYS  17  -0.598   7.117  -3.949
  111   1HB   LYS  17          2HB       LYS  17  -1.312   9.206  -1.888
  112   2HB   LYS  17          1HB       LYS  17  -0.258   9.423  -3.278
  113   1HG   LYS  17          2HG       LYS  17  -2.195   8.956  -4.754
  114   2HG   LYS  17          1HG       LYS  17  -3.222   8.906  -3.319
  115   1HD   LYS  17          2HD       LYS  17  -3.179  11.151  -3.050
  116   2HD   LYS  17          1HD       LYS  17  -1.505  11.289  -3.591
  117   1HE   LYS  17          2HE       LYS  17  -2.809  10.503  -5.872
  118   2HE   LYS  17          1HE       LYS  17  -3.995  11.553  -5.097
  119   1HZ   LYS  17          1HZ       LYS  17  -2.463  12.726  -6.615
  120   2HZ   LYS  17          2HZ       LYS  17  -1.172  12.317  -5.603
  121   3HZ   LYS  17          3HZ       LYS  17  -2.408  13.319  -5.032
  122    H    HIS  18           H        HIS  18  -0.576   8.048  -0.537
  123    HA   HIS  18           HA       HIS  18   2.164   7.722  -0.258
  124   1HB   HIS  18          2HB       HIS  18  -0.054   7.892   1.746
  125   2HB   HIS  18          1HB       HIS  18   1.633   7.763   2.235
  126    HD1  HIS  18           1HD      HIS  18   0.925   9.796  -0.775
  127    HD2  HIS  18           2HD      HIS  18   1.419  10.395   3.306
  128    HE1  HIS  18           1HE      HIS  18   1.244  12.276  -0.494
  129    HE2  HIS  18           2HE      HIS  18   1.625  12.604   1.975
  130    H    LEU  19           H        LEU  19  -0.167   5.358  -0.509
  131    HA   LEU  19           HA       LEU  19   1.308   3.458   1.155
  132   1HB   LEU  19          2HB       LEU  19  -1.385   3.366  -0.171
  133   2HB   LEU  19          1HB       LEU  19  -0.628   1.918   0.464
  134    HG   LEU  19           HG       LEU  19  -0.516   3.921   2.475
  135   1HD1  LEU  19          1HD1      LEU  19  -3.240   3.704   2.574
  136   2HD1  LEU  19          2HD1      LEU  19  -2.934   3.999   0.861
  137   3HD1  LEU  19          3HD1      LEU  19  -2.337   5.133   2.074
  138   1HD2  LEU  19          1HD2      LEU  19  -2.412   1.637   2.568
  139   2HD2  LEU  19          2HD2      LEU  19  -1.316   2.245   3.807
  140   3HD2  LEU  19          3HD2      LEU  19  -0.685   1.304   2.456
  141    H    GLY  20           H        GLY  20   1.587   1.252   0.325
  142   1HA   GLY  20          2HA       GLY  20   1.911   0.938  -2.541
  143   2HA   GLY  20          1HA       GLY  20   3.404   0.933  -1.610
  144    H    CYS  21           H        CYS  21   1.511  -1.125  -3.093
  145    HA   CYS  21           HA       CYS  21   0.830  -3.004  -1.101
  146   1HB   CYS  21          2HB       CYS  21  -0.032  -2.761  -3.538
  147   2HB   CYS  21          1HB       CYS  21   1.325  -3.807  -3.943
  148    H    LYS  22           H        LYS  22   2.073  -4.342  -0.003
  149    HA   LYS  22           HA       LYS  22   4.851  -4.697  -0.800
  150   1HB   LYS  22          2HB       LYS  22   3.655  -5.856   1.688
  151   2HB   LYS  22          1HB       LYS  22   5.297  -5.295   1.405
  152   1HG   LYS  22          2HG       LYS  22   4.482  -2.978   1.367
  153   2HG   LYS  22          1HG       LYS  22   2.850  -3.563   1.698
  154   1HD   LYS  22          2HD       LYS  22   3.585  -3.002   3.814
  155   2HD   LYS  22          1HD       LYS  22   3.974  -4.721   3.744
  156   1HE   LYS  22          2HE       LYS  22   6.077  -2.933   2.743
  157   2HE   LYS  22          1HE       LYS  22   5.718  -2.762   4.461
  158   1HZ   LYS  22          1HZ       LYS  22   7.388  -4.391   4.281
  159   2HZ   LYS  22          2HZ       LYS  22   6.598  -5.199   3.025
  160   3HZ   LYS  22          3HZ       LYS  22   5.960  -5.246   4.591
  161    H    PHE  23           H        PHE  23   5.432  -7.088   0.395
  162    HA   PHE  23           HA       PHE  23   5.054  -8.954  -1.590
  163   1HB   PHE  23          2HB       PHE  23   5.913 -10.595  -0.033
  164   2HB   PHE  23          1HB       PHE  23   6.768  -9.075   0.199
  165    HD1  PHE  23           1HD      PHE  23   6.013  -7.566   2.105
  166    HD2  PHE  23           2HD      PHE  23   4.853 -11.646   1.754
  167    HE1  PHE  23           1HE      PHE  23   5.449  -7.607   4.500
  168    HE2  PHE  23           2HE      PHE  23   4.285 -11.693   4.148
  169    HZ   PHE  23           HZ       PHE  23   4.581  -9.673   5.523
  170    H    ARG  24           H        ARG  24   4.238 -11.295  -0.325
  171    HA   ARG  24           HA       ARG  24   1.653 -11.613  -1.026
  172   1HB   ARG  24          2HB       ARG  24   3.399 -13.308  -0.076
  173   2HB   ARG  24          1HB       ARG  24   2.593 -12.998   1.456
  174   1HG   ARG  24          2HG       ARG  24   0.671 -14.046   0.822
  175   2HG   ARG  24          1HG       ARG  24   0.905 -13.683  -0.888
  176   1HD   ARG  24          2HD       ARG  24   2.977 -15.412   0.213
  177   2HD   ARG  24          1HD       ARG  24   1.362 -16.109   0.331
  178    HE   ARG  24           HE       ARG  24   1.970 -15.030  -2.262
  179   1HH1  ARG  24          1HH1      ARG  24   2.213 -17.811  -0.189
  180   2HH1  ARG  24          2HH1      ARG  24   2.350 -18.938  -1.498
  181   1HH2  ARG  24          1HH2      ARG  24   2.149 -16.505  -3.998
  182   2HH2  ARG  24          2HH2      ARG  24   2.316 -18.195  -3.663
  183    H    ASP  25           H        ASP  25   2.755  -9.940   1.806
  184    HA   ASP  25           HA       ASP  25   1.005  -9.988   3.744
  185   1HB   ASP  25          2HB       ASP  25   1.327  -7.723   4.176
  186   2HB   ASP  25          1HB       ASP  25   2.710  -8.122   3.162
  187    H    LYS  26           H        LYS  26   0.158  -8.614   0.588
  188    HA   LYS  26           HA       LYS  26  -1.881  -8.723  -0.480
  189   1HB   LYS  26          2HB       LYS  26  -2.412 -10.578   1.213
  190   2HB   LYS  26          1HB       LYS  26  -3.230  -9.327   2.139
  191   1HG   LYS  26          2HG       LYS  26  -4.903 -10.375   0.877
  192   2HG   LYS  26          1HG       LYS  26  -4.578  -8.855   0.045
  193   1HD   LYS  26          2HD       LYS  26  -3.382  -9.927  -1.672
  194   2HD   LYS  26          1HD       LYS  26  -3.220 -11.417  -0.740
  195   1HE   LYS  26          2HE       LYS  26  -5.991 -10.785  -1.040
  196   2HE   LYS  26          1HE       LYS  26  -5.213 -10.744  -2.621
  197   1HZ   LYS  26          1HZ       LYS  26  -4.206 -12.988  -1.469
  198   2HZ   LYS  26          2HZ       LYS  26  -5.466 -12.941  -2.596
  199   3HZ   LYS  26          3HZ       LYS  26  -5.814 -12.987  -0.941
  200    H    TYR  27           H        TYR  27  -1.171  -6.839   2.300
  201    HA   TYR  27           HA       TYR  27  -3.353  -4.987   1.633
  202   1HB   TYR  27          2HB       TYR  27  -2.898  -3.936   3.833
  203   2HB   TYR  27          1HB       TYR  27  -3.381  -5.619   3.950
  204    HD1  TYR  27           1HD      TYR  27  -2.097  -7.095   5.214
  205    HD2  TYR  27           2HD      TYR  27  -0.347  -3.457   3.872
  206    HE1  TYR  27           1HE      TYR  27  -0.093  -7.570   6.557
  207    HE2  TYR  27           2HE      TYR  27   1.663  -3.924   5.211
  208    HH   TYR  27           HH       TYR  27   2.635  -6.580   6.203
  209    H    CYS  28           H        CYS  28  -2.518  -2.650   2.562
  210    HA   CYS  28           HA       CYS  28  -0.139  -2.022   0.935
  211   1HB   CYS  28          2HB       CYS  28  -2.447  -0.157   1.504
  212   2HB   CYS  28          1HB       CYS  28  -1.142   0.078   0.343
  213    H    ALA  29           H        ALA  29   1.268  -0.394   1.689
  214    HA   ALA  29           HA       ALA  29   0.836   0.601   4.405
  215   1HB   ALA  29          1HB       ALA  29   2.084  -1.199   5.073
  216   2HB   ALA  29          2HB       ALA  29   3.360  -0.020   4.776
  217   3HB   ALA  29          3HB       ALA  29   3.005  -1.257   3.571
  218    H    TRP  30           H        TRP  30   1.922   2.513   4.882
  219    HA   TRP  30           HA       TRP  30   2.242   4.421   3.023
  220   1HB   TRP  30          2HB       TRP  30   3.947   4.044   5.490
  221   2HB   TRP  30          1HB       TRP  30   3.904   5.527   4.543
  222    HD1  TRP  30           HD       TRP  30   2.795   4.705   7.678
  223    HE1  TRP  30           1HE      TRP  30   0.518   5.711   8.321
  224    HE3  TRP  30           3HE      TRP  30   1.050   5.832   3.002
  225    HZ2  TRP  30           2HZ      TRP  30  -1.722   6.829   7.022
  226    HZ3  TRP  30           3HZ      TRP  30  -1.173   6.863   2.795
  227    HH2  TRP  30           HH       TRP  30  -2.528   7.353   4.763
  228    H    ASP  31           H        ASP  31   3.975   5.371   1.887
  229    HA   ASP  31           HA       ASP  31   6.099   5.468   0.932
  230   1HB   ASP  31          2HB       ASP  31   6.878   3.799   2.687
  231   2HB   ASP  31          1HB       ASP  31   6.461   2.539   1.531
  232    H    PHE  32           H        PHE  32   5.254   5.830  -1.033
  233    HA   PHE  32           HA       PHE  32   3.849   3.981  -2.596
  234   1HB   PHE  32          2HB       PHE  32   3.495   6.197  -3.210
  235   2HB   PHE  32          1HB       PHE  32   5.210   6.591  -3.146
  236    HD1  PHE  32           1HD      PHE  32   6.546   6.486  -5.068
  237    HD2  PHE  32           2HD      PHE  32   2.646   4.785  -5.102
  238    HE1  PHE  32           1HE      PHE  32   6.703   6.184  -7.506
  239    HE2  PHE  32           2HE      PHE  32   2.796   4.479  -7.537
  240    HZ   PHE  32           HZ       PHE  32   4.827   5.179  -8.743
  241    H    THR  33           H        THR  33   4.657   2.123  -3.325
  242    HA   THR  33           HA       THR  33   6.064   0.575  -4.223
  243    HB   THR  33           HB       THR  33   6.995   1.135  -6.257
  244    HG1  THR  33           1HG      THR  33   8.331   2.746  -6.521
  245   1HG2  THR  33          1HG2      THR  33   4.861   1.879  -6.678
  246   2HG2  THR  33          2HG2      THR  33   5.839   3.277  -7.126
  247   3HG2  THR  33          3HG2      THR  33   5.003   3.246  -5.573
  248    H    PHE  34           H        PHE  34   8.780   0.918  -5.096
  249    HA   PHE  34           HA       PHE  34  10.072   1.192  -2.467
  250   1HB   PHE  34          2HB       PHE  34  10.109  -1.054  -3.706
  251   2HB   PHE  34          1HB       PHE  34  11.226  -0.282  -4.828
  252    HD1  PHE  34           1HD      PHE  34  10.985   0.118  -1.149
  253    HD2  PHE  34           2HD      PHE  34  13.250  -1.362  -4.433
  254    HE1  PHE  34           1HE      PHE  34  12.854  -0.381   0.371
  255    HE2  PHE  34           2HE      PHE  34  15.123  -1.867  -2.918
  256    HZ   PHE  34           HZ       PHE  34  14.925  -1.375  -0.513
  257    H    SER  35           H        SER  35  10.044   2.322  -5.735
  258    HA   SER  35           HA       SER  35  11.119   4.036  -6.773
  259   1HB   SER  35          2HB       SER  35  12.237   4.777  -4.063
  260   2HB   SER  35          1HB       SER  35  12.015   5.832  -5.460
  261    HG   SER  35           HG       SER  35   9.675   5.124  -5.165
  Start of MODEL   16
    1    HA   GLU   1           HA       GLU   1 -10.362   2.202  -5.826
    2   1HB   GLU   1          2HB       GLU   1 -12.041   3.818  -6.440
    3   2HB   GLU   1          1HB       GLU   1 -11.776   4.731  -4.961
    4   1HG   GLU   1          2HG       GLU   1 -10.764   5.851  -6.852
    5   2HG   GLU   1          1HG       GLU   1  -9.528   5.309  -5.719
    6   1HT   GLU   1          1HT       GLU   1 -12.388   1.711  -4.936
    7   2HT   GLU   1          2HT       GLU   1 -12.284   2.941  -3.745
    8   3HT   GLU   1          3HT       GLU   1 -11.303   1.538  -3.622
    9    H    CYS   2           H        CYS   2  -8.257   2.314  -5.394
   10    HA   CYS   2           HA       CYS   2  -6.282   2.676  -4.325
   11   1HB   CYS   2          2HB       CYS   2  -5.890   4.867  -4.081
   12   2HB   CYS   2          1HB       CYS   2  -7.577   5.134  -4.436
   13    H    ARG   3           H        ARG   3  -6.050   1.028  -3.076
   14    HA   ARG   3           HA       ARG   3  -7.505   0.657  -0.662
   15   1HB   ARG   3          2HB       ARG   3  -5.363  -0.790  -2.132
   16   2HB   ARG   3          1HB       ARG   3  -5.535  -1.130  -0.418
   17   1HG   ARG   3          2HG       ARG   3  -7.159  -1.997  -2.660
   18   2HG   ARG   3          1HG       ARG   3  -7.024  -2.666  -1.036
   19   1HD   ARG   3          2HD       ARG   3  -8.610  -1.047  -0.191
   20   2HD   ARG   3          1HD       ARG   3  -8.665  -0.237  -1.757
   21    HE   ARG   3           HE       ARG   3 -10.003  -2.698  -1.021
   22   1HH1  ARG   3          1HH1      ARG   3  -8.940  -0.625  -3.615
   23   2HH1  ARG   3          2HH1      ARG   3 -10.053  -1.286  -4.767
   24   1HH2  ARG   3          1HH2      ARG   3 -11.470  -3.569  -2.534
   25   2HH2  ARG   3          2HH2      ARG   3 -11.488  -2.957  -4.154
   26    H    TYR   4           H        TYR   4  -7.225   2.176   0.749
   27    HA   TYR   4           HA       TYR   4  -4.857   3.537   1.351
   28   1HB   TYR   4          2HB       TYR   4  -7.393   3.875   2.121
   29   2HB   TYR   4          1HB       TYR   4  -6.819   3.011   3.543
   30    HD1  TYR   4           1HD      TYR   4  -6.345   4.421   5.297
   31    HD2  TYR   4           2HD      TYR   4  -5.433   5.706   1.346
   32    HE1  TYR   4           1HE      TYR   4  -5.423   6.516   6.198
   33    HE2  TYR   4           2HE      TYR   4  -4.508   7.804   2.234
   34    HH   TYR   4           HH       TYR   4  -4.133   9.032   4.043
   35    H    LEU   5           H        LEU   5  -4.644   3.195   4.171
   36    HA   LEU   5           HA       LEU   5  -2.778   1.064   4.292
   37   1HB   LEU   5          2HB       LEU   5  -3.124   3.271   5.759
   38   2HB   LEU   5          1HB       LEU   5  -3.938   2.125   6.807
   39    HG   LEU   5           HG       LEU   5  -1.466   0.954   6.067
   40   1HD1  LEU   5          1HD1      LEU   5  -0.979   3.642   7.295
   41   2HD1  LEU   5          2HD1      LEU   5  -0.950   3.422   5.545
   42   3HD1  LEU   5          3HD1      LEU   5   0.175   2.523   6.565
   43   1HD2  LEU   5          1HD2      LEU   5  -2.626   2.100   8.589
   44   2HD2  LEU   5          2HD2      LEU   5  -1.031   1.347   8.551
   45   3HD2  LEU   5          3HD2      LEU   5  -2.462   0.408   8.119
   46    H    PHE   6           H        PHE   6  -2.964  -1.002   4.867
   47    HA   PHE   6           HA       PHE   6  -3.841  -2.950   5.683
   48   1HB   PHE   6          2HB       PHE   6  -5.246  -0.946   7.189
   49   2HB   PHE   6          1HB       PHE   6  -6.352  -2.247   6.769
   50    HD1  PHE   6           1HD      PHE   6  -2.959  -1.679   8.190
   51    HD2  PHE   6           2HD      PHE   6  -6.432  -4.137   8.084
   52    HE1  PHE   6           1HE      PHE   6  -2.045  -3.043  10.024
   53    HE2  PHE   6           2HE      PHE   6  -5.525  -5.504   9.918
   54    HZ   PHE   6           HZ       PHE   6  -3.329  -4.957  10.891
   55    H    GLY   7           H        GLY   7  -4.915  -1.176   3.252
   56   1HA   GLY   7          2HA       GLY   7  -7.421  -2.486   2.678
   57   2HA   GLY   7          1HA       GLY   7  -6.550  -1.386   1.619
   58    H    GLY   8           H        GLY   8  -7.845  -4.046   1.143
   59   1HA   GLY   8          2HA       GLY   8  -5.745  -5.926   0.652
   60   2HA   GLY   8          1HA       GLY   8  -7.397  -6.038   0.067
   61    H    CYS   9           H        CYS   9  -4.211  -5.606  -0.822
   62    HA   CYS   9           HA       CYS   9  -5.029  -4.562  -3.453
   63   1HB   CYS   9          2HB       CYS   9  -2.810  -3.495  -3.635
   64   2HB   CYS   9          1HB       CYS   9  -3.747  -2.852  -2.291
   65    H    LYS  10           H        LYS  10  -4.160  -5.512  -5.250
   66    HA   LYS  10           HA       LYS  10  -2.782  -8.063  -4.817
   67   1HB   LYS  10          2HB       LYS  10  -4.059  -6.997  -7.340
   68   2HB   LYS  10          1HB       LYS  10  -3.461  -8.631  -7.080
   69   1HG   LYS  10          2HG       LYS  10  -5.516  -7.669  -5.189
   70   2HG   LYS  10          1HG       LYS  10  -6.037  -7.956  -6.851
   71   1HD   LYS  10          2HD       LYS  10  -4.987 -10.224  -6.693
   72   2HD   LYS  10          1HD       LYS  10  -4.724  -9.915  -4.975
   73   1HE   LYS  10          2HE       LYS  10  -6.750 -11.211  -5.294
   74   2HE   LYS  10          1HE       LYS  10  -7.140  -9.606  -4.674
   75   1HZ   LYS  10          1HZ       LYS  10  -7.191 -10.158  -7.573
   76   2HZ   LYS  10          2HZ       LYS  10  -7.988  -8.940  -6.710
   77   3HZ   LYS  10          3HZ       LYS  10  -8.521 -10.540  -6.599
   78    H    THR  11           H        THR  11  -2.395  -4.911  -6.017
   79    HA   THR  11           HA       THR  11   0.365  -5.493  -6.788
   80    HB   THR  11           HB       THR  11  -0.564  -3.529  -8.587
   81    HG1  THR  11           1HG      THR  11  -2.145  -5.806  -8.958
   82   1HG2  THR  11          1HG2      THR  11   1.127  -5.480  -8.833
   83   2HG2  THR  11          2HG2      THR  11   0.241  -4.883 -10.236
   84   3HG2  THR  11          3HG2      THR  11  -0.280  -6.362  -9.427
   85    H    THR  12           H        THR  12   1.644  -3.468  -7.035
   86    HA   THR  12           HA       THR  12   1.264  -1.815  -4.781
   87    HB   THR  12           HB       THR  12   3.105  -1.674  -7.153
   88    HG1  THR  12           1HG      THR  12   4.623  -2.222  -5.641
   89   1HG2  THR  12          1HG2      THR  12   2.508   0.451  -5.233
   90   2HG2  THR  12          2HG2      THR  12   3.265   0.527  -6.824
   91   3HG2  THR  12          3HG2      THR  12   4.218   0.061  -5.416
   92    H    SER  13           H        SER  13   0.413  -1.558  -8.142
   93    HA   SER  13           HA       SER  13  -0.355   1.197  -7.971
   94   1HB   SER  13          2HB       SER  13   0.360  -0.419 -10.054
   95   2HB   SER  13          1HB       SER  13  -1.393  -0.363 -10.237
   96    HG   SER  13           HG       SER  13   0.494   1.634 -10.559
   97    H    ASP  14           H        ASP  14  -1.668  -1.303  -6.532
   98    HA   ASP  14           HA       ASP  14  -4.448  -0.767  -7.270
   99   1HB   ASP  14          2HB       ASP  14  -3.166  -2.951  -5.627
  100   2HB   ASP  14          1HB       ASP  14  -4.910  -2.763  -5.794
  101    H    CYS  15           H        CYS  15  -2.230   0.398  -5.113
  102    HA   CYS  15           HA       CYS  15  -4.277   0.889  -3.051
  103   1HB   CYS  15          2HB       CYS  15  -1.282   1.200  -2.738
  104   2HB   CYS  15          1HB       CYS  15  -2.493   1.259  -1.461
  105    H    CYS  16           H        CYS  16  -3.764   2.965  -1.811
  106    HA   CYS  16           HA       CYS  16  -4.305   5.114  -3.503
  107   1HB   CYS  16          2HB       CYS  16  -3.412   5.219  -0.638
  108   2HB   CYS  16          1HB       CYS  16  -4.317   6.455  -1.512
  109    H    LYS  17           H        LYS  17  -2.653   7.023  -1.976
  110    HA   LYS  17           HA       LYS  17  -0.492   7.071  -3.913
  111   1HB   LYS  17          2HB       LYS  17  -1.383   9.142  -1.902
  112   2HB   LYS  17          1HB       LYS  17  -0.151   9.385  -3.134
  113   1HG   LYS  17          2HG       LYS  17  -1.927   8.843  -4.843
  114   2HG   LYS  17          1HG       LYS  17  -3.097   8.946  -3.527
  115   1HD   LYS  17          2HD       LYS  17  -1.376  11.107  -4.694
  116   2HD   LYS  17          1HD       LYS  17  -3.127  11.079  -4.474
  117   1HE   LYS  17          2HE       LYS  17  -2.675  12.364  -2.684
  118   2HE   LYS  17          1HE       LYS  17  -2.300  10.822  -1.914
  119   1HZ   LYS  17          1HZ       LYS  17  -0.184  12.237  -3.379
  120   2HZ   LYS  17          2HZ       LYS  17  -0.061  11.194  -2.052
  121   3HZ   LYS  17          3HZ       LYS  17  -0.611  12.777  -1.833
  122    H    HIS  18           H        HIS  18  -0.581   8.021  -0.507
  123    HA   HIS  18           HA       HIS  18   2.140   7.712  -0.110
  124   1HB   HIS  18          2HB       HIS  18  -0.166   7.772   1.813
  125   2HB   HIS  18          1HB       HIS  18   1.510   7.694   2.355
  126    HD1  HIS  18           1HD      HIS  18   3.039   9.753   1.242
  127    HD2  HIS  18           2HD      HIS  18  -1.064  10.307   1.596
  128    HE1  HIS  18           1HE      HIS  18   2.685  12.241   1.120
  129    HE2  HIS  18           2HE      HIS  18   0.189  12.551   1.295
  130    H    LEU  19           H        LEU  19  -0.172   5.339  -0.494
  131    HA   LEU  19           HA       LEU  19   1.252   3.389   1.145
  132   1HB   LEU  19          2HB       LEU  19  -1.403   3.355  -0.258
  133   2HB   LEU  19          1HB       LEU  19  -0.704   1.914   0.461
  134    HG   LEU  19           HG       LEU  19  -0.647   4.057   2.358
  135   1HD1  LEU  19          1HD1      LEU  19  -3.338   3.784   2.468
  136   2HD1  LEU  19          2HD1      LEU  19  -3.067   3.868   0.728
  137   3HD1  LEU  19          3HD1      LEU  19  -2.495   5.167   1.774
  138   1HD2  LEU  19          1HD2      LEU  19  -0.567   1.585   2.737
  139   2HD2  LEU  19          2HD2      LEU  19  -2.297   1.547   2.383
  140   3HD2  LEU  19          3HD2      LEU  19  -1.696   2.469   3.763
  141    H    GLY  20           H        GLY  20   1.565   1.216   0.287
  142   1HA   GLY  20          2HA       GLY  20   1.860   0.924  -2.581
  143   2HA   GLY  20          1HA       GLY  20   3.368   0.948  -1.673
  144    H    CYS  21           H        CYS  21   1.514  -1.130  -3.146
  145    HA   CYS  21           HA       CYS  21   0.976  -3.087  -1.159
  146   1HB   CYS  21          2HB       CYS  21  -0.023  -2.739  -3.592
  147   2HB   CYS  21          1HB       CYS  21   1.264  -3.858  -4.027
  148    H    LYS  22           H        LYS  22   2.405  -4.403  -0.200
  149    HA   LYS  22           HA       LYS  22   5.019  -4.773  -1.501
  150   1HB   LYS  22          2HB       LYS  22   4.732  -5.591   1.304
  151   2HB   LYS  22          1HB       LYS  22   5.994  -4.645   0.527
  152   1HG   LYS  22          2HG       LYS  22   3.857  -2.928   0.487
  153   2HG   LYS  22          1HG       LYS  22   3.653  -3.776   2.021
  154   1HD   LYS  22          2HD       LYS  22   6.201  -2.451   1.112
  155   2HD   LYS  22          1HD       LYS  22   5.021  -1.716   2.198
  156   1HE   LYS  22          2HE       LYS  22   6.804  -4.078   2.671
  157   2HE   LYS  22          1HE       LYS  22   6.638  -2.608   3.631
  158   1HZ   LYS  22          1HZ       LYS  22   5.508  -4.203   4.851
  159   2HZ   LYS  22          2HZ       LYS  22   4.822  -4.929   3.487
  160   3HZ   LYS  22          3HZ       LYS  22   4.260  -3.423   4.016
  161    H    PHE  23           H        PHE  23   6.129  -6.825  -1.156
  162    HA   PHE  23           HA       PHE  23   4.489  -9.030  -1.840
  163   1HB   PHE  23          2HB       PHE  23   6.451  -9.622  -2.757
  164   2HB   PHE  23          1HB       PHE  23   7.303  -8.396  -1.829
  165    HD1  PHE  23           1HD      PHE  23   8.482  -8.958   0.184
  166    HD2  PHE  23           2HD      PHE  23   6.289 -11.916  -1.950
  167    HE1  PHE  23           1HE      PHE  23   9.604 -10.721   1.482
  168    HE2  PHE  23           2HE      PHE  23   7.407 -13.685  -0.655
  169    HZ   PHE  23           HZ       PHE  23   9.067 -13.087   1.062
  170    H    ARG  24           H        ARG  24   4.020 -10.888  -0.608
  171    HA   ARG  24           HA       ARG  24   3.438 -12.026   1.278
  172   1HB   ARG  24          2HB       ARG  24   6.116 -11.537   1.530
  173   2HB   ARG  24          1HB       ARG  24   5.492 -10.817   3.007
  174   1HG   ARG  24          2HG       ARG  24   4.184 -13.192   2.995
  175   2HG   ARG  24          1HG       ARG  24   5.710 -13.632   2.226
  176   1HD   ARG  24          2HD       ARG  24   6.130 -11.919   4.518
  177   2HD   ARG  24          1HD       ARG  24   5.224 -13.368   4.953
  178    HE   ARG  24           HE       ARG  24   7.969 -13.245   4.435
  179   1HH1  ARG  24          1HH1      ARG  24   5.198 -15.182   3.616
  180   2HH1  ARG  24          2HH1      ARG  24   6.111 -16.635   3.397
  181   1HH2  ARG  24          1HH2      ARG  24   9.187 -15.154   4.156
  182   2HH2  ARG  24          2HH2      ARG  24   8.384 -16.620   3.706
  183    H    ASP  25           H        ASP  25   2.811  -9.047   0.775
  184    HA   ASP  25           HA       ASP  25   1.365  -8.651   3.271
  185   1HB   ASP  25          2HB       ASP  25   3.253  -6.624   2.055
  186   2HB   ASP  25          1HB       ASP  25   2.015  -6.206   3.236
  187    H    LYS  26           H        LYS  26  -0.141  -9.482   1.569
  188    HA   LYS  26           HA       LYS  26  -0.913  -8.266  -0.727
  189   1HB   LYS  26          2HB       LYS  26  -2.820  -9.517  -0.627
  190   2HB   LYS  26          1HB       LYS  26  -1.865 -10.334   0.602
  191   1HG   LYS  26          2HG       LYS  26  -3.021  -9.032   2.336
  192   2HG   LYS  26          1HG       LYS  26  -4.010  -8.275   1.085
  193   1HD   LYS  26          2HD       LYS  26  -4.863 -10.482   0.436
  194   2HD   LYS  26          1HD       LYS  26  -3.887 -11.227   1.704
  195   1HE   LYS  26          2HE       LYS  26  -5.161  -9.513   3.237
  196   2HE   LYS  26          1HE       LYS  26  -6.340  -9.549   1.927
  197   1HZ   LYS  26          1HZ       LYS  26  -5.630 -11.621   3.843
  198   2HZ   LYS  26          2HZ       LYS  26  -5.955 -12.142   2.266
  199   3HZ   LYS  26          3HZ       LYS  26  -7.122 -11.274   3.128
  200    H    TYR  27           H        TYR  27  -1.199  -6.875   2.417
  201    HA   TYR  27           HA       TYR  27  -3.305  -5.054   1.642
  202   1HB   TYR  27          2HB       TYR  27  -2.876  -3.994   3.862
  203   2HB   TYR  27          1HB       TYR  27  -3.276  -5.699   3.951
  204    HD1  TYR  27           1HD      TYR  27  -0.706  -3.182   4.502
  205    HD2  TYR  27           2HD      TYR  27  -1.556  -7.351   4.565
  206    HE1  TYR  27           1HE      TYR  27   1.331  -3.570   5.823
  207    HE2  TYR  27           2HE      TYR  27   0.481  -7.750   5.886
  208    HH   TYR  27           HH       TYR  27   1.995  -6.571   7.340
  209    H    CYS  28           H        CYS  28  -2.605  -2.657   2.599
  210    HA   CYS  28           HA       CYS  28  -0.323  -1.900   0.894
  211   1HB   CYS  28          2HB       CYS  28  -2.674  -0.144   1.612
  212   2HB   CYS  28          1HB       CYS  28  -1.416   0.186   0.425
  213    H    ALA  29           H        ALA  29   1.298  -0.766   1.735
  214    HA   ALA  29           HA       ALA  29   0.975   0.354   4.442
  215   1HB   ALA  29          1HB       ALA  29   3.329  -0.306   4.889
  216   2HB   ALA  29          2HB       ALA  29   3.330  -1.190   3.362
  217   3HB   ALA  29          3HB       ALA  29   2.244  -1.679   4.664
  218    H    TRP  30           H        TRP  30   2.073   2.279   4.865
  219    HA   TRP  30           HA       TRP  30   2.246   4.192   2.961
  220   1HB   TRP  30          2HB       TRP  30   4.037   3.933   5.382
  221   2HB   TRP  30          1HB       TRP  30   3.817   5.408   4.447
  222    HD1  TRP  30           HD       TRP  30   2.805   4.280   7.597
  223    HE1  TRP  30           1HE      TRP  30   0.473   5.118   8.297
  224    HE3  TRP  30           3HE      TRP  30   1.040   5.690   3.010
  225    HZ2  TRP  30           2HZ      TRP  30  -1.812   6.226   7.065
  226    HZ3  TRP  30           3HZ      TRP  30  -1.229   6.629   2.857
  227    HH2  TRP  30           HH       TRP  30  -2.624   6.890   4.843
  228    H    ASP  31           H        ASP  31   3.959   5.223   1.825
  229    HA   ASP  31           HA       ASP  31   6.011   5.376   0.769
  230   1HB   ASP  31          2HB       ASP  31   6.597   2.536   1.609
  231   2HB   ASP  31          1HB       ASP  31   7.736   3.748   1.037
  232    H    PHE  32           H        PHE  32   4.937   5.514  -1.171
  233    HA   PHE  32           HA       PHE  32   3.778   3.376  -2.551
  234   1HB   PHE  32          2HB       PHE  32   3.069   5.462  -3.294
  235   2HB   PHE  32          1HB       PHE  32   4.705   6.114  -3.333
  236    HD1  PHE  32           1HD      PHE  32   5.164   6.801  -5.474
  237    HD2  PHE  32           2HD      PHE  32   3.193   3.077  -4.880
  238    HE1  PHE  32           1HE      PHE  32   5.281   6.358  -7.891
  239    HE2  PHE  32           2HE      PHE  32   3.310   2.625  -7.296
  240    HZ   PHE  32           HZ       PHE  32   4.355   4.268  -8.805
  241    H    THR  33           H        THR  33   4.743   1.654  -3.379
  242    HA   THR  33           HA       THR  33   6.393   0.256  -4.123
  243    HB   THR  33           HB       THR  33   5.701   1.434  -6.179
  244    HG1  THR  33           1HG      THR  33   7.116   0.062  -6.883
  245   1HG2  THR  33          1HG2      THR  33   7.366   3.106  -7.108
  246   2HG2  THR  33          2HG2      THR  33   7.910   3.317  -5.443
  247   3HG2  THR  33          3HG2      THR  33   6.242   3.687  -5.880
  248    H    PHE  34           H        PHE  34   8.910   1.054  -5.331
  249    HA   PHE  34           HA       PHE  34  11.062   1.611  -4.801
  250   1HB   PHE  34          2HB       PHE  34   9.736   3.596  -3.583
  251   2HB   PHE  34          1HB       PHE  34  10.367   2.781  -2.155
  252    HD1  PHE  34           1HD      PHE  34  12.005   4.226  -1.367
  253    HD2  PHE  34           2HD      PHE  34  11.949   3.178  -5.491
  254    HE1  PHE  34           1HE      PHE  34  14.170   5.354  -1.679
  255    HE2  PHE  34           2HE      PHE  34  14.113   4.305  -5.810
  256    HZ   PHE  34           HZ       PHE  34  15.225   5.394  -3.902
  257    H    SER  35           H        SER  35  12.399   1.568  -2.368
  258    HA   SER  35           HA       SER  35  12.144  -1.262  -1.686
  259   1HB   SER  35          2HB       SER  35  14.377  -0.907  -0.582
  260   2HB   SER  35          1HB       SER  35  14.367  -0.584  -2.316
  261    HG   SER  35           HG       SER  35  15.215   1.023  -0.496
  Start of MODEL   17
    1    HA   GLU   1           HA       GLU   1 -10.306   2.250  -5.913
    2   1HB   GLU   1          2HB       GLU   1 -11.528   5.005  -5.793
    3   2HB   GLU   1          1HB       GLU   1 -10.044   4.680  -6.678
    4   1HG   GLU   1          2HG       GLU   1 -12.328   2.910  -7.262
    5   2HG   GLU   1          1HG       GLU   1 -12.478   4.590  -7.782
    6   1HT   GLU   1          1HT       GLU   1 -11.871   1.716  -4.474
    7   2HT   GLU   1          2HT       GLU   1 -12.690   3.040  -5.198
    8   3HT   GLU   1          3HT       GLU   1 -11.866   3.249  -3.706
    9    H    CYS   2           H        CYS   2  -8.214   2.373  -5.344
   10    HA   CYS   2           HA       CYS   2  -6.308   2.873  -4.203
   11   1HB   CYS   2          2HB       CYS   2  -6.006   5.082  -4.055
   12   2HB   CYS   2          1HB       CYS   2  -7.712   5.315  -4.343
   13    H    ARG   3           H        ARG   3  -6.087   1.281  -2.882
   14    HA   ARG   3           HA       ARG   3  -7.706   0.973  -0.542
   15   1HB   ARG   3          2HB       ARG   3  -5.878  -0.651  -2.099
   16   2HB   ARG   3          1HB       ARG   3  -5.545  -0.796  -0.379
   17   1HG   ARG   3          2HG       ARG   3  -7.375  -2.273  -1.750
   18   2HG   ARG   3          1HG       ARG   3  -7.386  -2.018  -0.007
   19   1HD   ARG   3          2HD       ARG   3  -9.097  -0.487  -0.104
   20   2HD   ARG   3          1HD       ARG   3  -8.715  -0.005  -1.752
   21    HE   ARG   3           HE       ARG   3  -9.817  -1.967  -2.547
   22   1HH1  ARG   3          1HH1      ARG   3 -10.230  -1.435   0.892
   23   2HH1  ARG   3          2HH1      ARG   3 -11.643  -2.425   0.990
   24   1HH2  ARG   3          1HH2      ARG   3 -11.671  -3.264  -2.397
   25   2HH2  ARG   3          2HH2      ARG   3 -12.459  -3.462  -0.869
   26    H    TYR   4           H        TYR   4  -7.421   2.389   0.929
   27    HA   TYR   4           HA       TYR   4  -4.984   3.669   1.560
   28   1HB   TYR   4          2HB       TYR   4  -6.811   4.920   2.221
   29   2HB   TYR   4          1HB       TYR   4  -7.720   3.513   2.761
   30    HD1  TYR   4           1HD      TYR   4  -7.346   2.577   4.998
   31    HD2  TYR   4           2HD      TYR   4  -5.327   6.092   3.706
   32    HE1  TYR   4           1HE      TYR   4  -6.749   3.084   7.330
   33    HE2  TYR   4           2HE      TYR   4  -4.723   6.608   6.033
   34    HH   TYR   4           HH       TYR   4  -4.891   4.418   8.505
   35    H    LEU   5           H        LEU   5  -4.214   3.553   4.022
   36    HA   LEU   5           HA       LEU   5  -2.739   1.420   4.563
   37   1HB   LEU   5          2HB       LEU   5  -3.641   3.569   6.055
   38   2HB   LEU   5          1HB       LEU   5  -4.105   2.175   7.012
   39    HG   LEU   5           HG       LEU   5  -1.341   3.019   6.181
   40   1HD1  LEU   5          1HD1      LEU   5  -1.807   2.161   8.911
   41   2HD1  LEU   5          2HD1      LEU   5  -2.853   3.502   8.441
   42   3HD1  LEU   5          3HD1      LEU   5  -1.102   3.657   8.300
   43   1HD2  LEU   5          1HD2      LEU   5  -2.328   0.343   6.444
   44   2HD2  LEU   5          2HD2      LEU   5  -1.187   0.689   7.744
   45   3HD2  LEU   5          3HD2      LEU   5  -0.698   0.900   6.062
   46    H    PHE   6           H        PHE   6  -2.981  -0.694   4.773
   47    HA   PHE   6           HA       PHE   6  -3.789  -2.722   5.422
   48   1HB   PHE   6          2HB       PHE   6  -6.017  -1.192   6.775
   49   2HB   PHE   6          1HB       PHE   6  -5.607  -2.885   7.030
   50    HD1  PHE   6           1HD      PHE   6  -4.934   0.512   7.970
   51    HD2  PHE   6           2HD      PHE   6  -3.385  -3.451   8.055
   52    HE1  PHE   6           1HE      PHE   6  -3.386   1.160   9.771
   53    HE2  PHE   6           2HE      PHE   6  -1.835  -2.812   9.857
   54    HZ   PHE   6           HZ       PHE   6  -1.835  -0.504  10.717
   55    H    GLY   7           H        GLY   7  -4.619  -1.301   2.948
   56   1HA   GLY   7          2HA       GLY   7  -7.268  -2.498   2.506
   57   2HA   GLY   7          1HA       GLY   7  -6.499  -1.301   1.473
   58    H    GLY   8           H        GLY   8  -7.349  -4.488   1.654
   59   1HA   GLY   8          2HA       GLY   8  -5.260  -6.005   0.736
   60   2HA   GLY   8          1HA       GLY   8  -6.918  -6.228   0.193
   61    H    CYS   9           H        CYS   9  -3.992  -6.074  -1.027
   62    HA   CYS   9           HA       CYS   9  -4.931  -4.832  -3.505
   63   1HB   CYS   9          2HB       CYS   9  -2.760  -3.625  -3.758
   64   2HB   CYS   9          1HB       CYS   9  -3.772  -3.015  -2.453
   65    H    LYS  10           H        LYS  10  -4.225  -5.789  -5.317
   66    HA   LYS  10           HA       LYS  10  -2.624  -8.201  -5.031
   67   1HB   LYS  10          2HB       LYS  10  -4.189  -7.042  -7.337
   68   2HB   LYS  10          1HB       LYS  10  -3.201  -8.489  -7.480
   69   1HG   LYS  10          2HG       LYS  10  -4.802  -8.977  -5.268
   70   2HG   LYS  10          1HG       LYS  10  -5.872  -8.169  -6.418
   71   1HD   LYS  10          2HD       LYS  10  -5.977 -10.542  -6.795
   72   2HD   LYS  10          1HD       LYS  10  -5.139  -9.790  -8.153
   73   1HE   LYS  10          2HE       LYS  10  -3.410 -10.651  -5.939
   74   2HE   LYS  10          1HE       LYS  10  -4.233 -11.956  -6.790
   75   1HZ   LYS  10          1HZ       LYS  10  -3.170 -10.101  -8.642
   76   2HZ   LYS  10          2HZ       LYS  10  -2.829 -11.749  -8.472
   77   3HZ   LYS  10          3HZ       LYS  10  -1.951 -10.610  -7.583
   78    H    THR  11           H        THR  11  -2.294  -4.957  -5.926
   79    HA   THR  11           HA       THR  11   0.464  -5.405  -6.736
   80    HB   THR  11           HB       THR  11  -0.486  -3.473  -8.546
   81    HG1  THR  11           1HG      THR  11  -2.187  -4.431  -9.539
   82   1HG2  THR  11          1HG2      THR  11   1.160  -5.612  -8.665
   83   2HG2  THR  11          2HG2      THR  11   0.610  -4.677 -10.057
   84   3HG2  THR  11          3HG2      THR  11  -0.215  -6.174  -9.617
   85    H    THR  12           H        THR  12   1.674  -3.354  -6.920
   86    HA   THR  12           HA       THR  12   1.186  -1.696  -4.691
   87    HB   THR  12           HB       THR  12   3.087  -1.567  -7.009
   88    HG1  THR  12           1HG      THR  12   3.942  -2.817  -5.512
   89   1HG2  THR  12          1HG2      THR  12   2.270   0.691  -5.420
   90   2HG2  THR  12          2HG2      THR  12   3.355   0.618  -6.809
   91   3HG2  THR  12          3HG2      THR  12   3.976   0.319  -5.186
   92    H    SER  13           H        SER  13   0.380  -1.507  -8.065
   93    HA   SER  13           HA       SER  13  -0.464   1.222  -7.974
   94   1HB   SER  13          2HB       SER  13  -0.117   0.926 -10.174
   95   2HB   SER  13          1HB       SER  13  -0.128  -0.828  -9.998
   96    HG   SER  13           HG       SER  13  -2.333   0.904 -10.379
   97    H    ASP  14           H        ASP  14  -1.715  -1.411  -6.561
   98    HA   ASP  14           HA       ASP  14  -4.514  -0.816  -7.163
   99   1HB   ASP  14          2HB       ASP  14  -3.153  -3.104  -5.748
  100   2HB   ASP  14          1HB       ASP  14  -4.895  -2.872  -5.681
  101    H    CYS  15           H        CYS  15  -2.511   0.737  -5.372
  102    HA   CYS  15           HA       CYS  15  -4.357   0.962  -3.089
  103   1HB   CYS  15          2HB       CYS  15  -1.358   1.285  -2.910
  104   2HB   CYS  15          1HB       CYS  15  -2.507   1.285  -1.576
  105    H    CYS  16           H        CYS  16  -3.866   3.023  -1.839
  106    HA   CYS  16           HA       CYS  16  -4.423   5.216  -3.454
  107   1HB   CYS  16          2HB       CYS  16  -3.460   5.219  -0.609
  108   2HB   CYS  16          1HB       CYS  16  -4.329   6.520  -1.425
  109    H    LYS  17           H        LYS  17  -2.644   7.024  -1.853
  110    HA   LYS  17           HA       LYS  17  -0.579   7.130  -3.898
  111   1HB   LYS  17          2HB       LYS  17  -2.087   9.060  -2.551
  112   2HB   LYS  17          1HB       LYS  17  -0.448   9.259  -1.946
  113   1HG   LYS  17          2HG       LYS  17   0.390   9.532  -4.196
  114   2HG   LYS  17          1HG       LYS  17  -1.219   9.229  -4.856
  115   1HD   LYS  17          2HD       LYS  17  -1.159  11.354  -2.851
  116   2HD   LYS  17          1HD       LYS  17  -0.167  11.697  -4.270
  117   1HE   LYS  17          2HE       LYS  17  -1.985  11.603  -5.716
  118   2HE   LYS  17          1HE       LYS  17  -2.964  10.676  -4.582
  119   1HZ   LYS  17          1HZ       LYS  17  -3.262  13.282  -4.982
  120   2HZ   LYS  17          2HZ       LYS  17  -2.163  13.324  -3.697
  121   3HZ   LYS  17          3HZ       LYS  17  -3.642  12.523  -3.518
  122    H    HIS  18           H        HIS  18  -0.448   7.963  -0.474
  123    HA   HIS  18           HA       HIS  18   2.277   7.500  -0.242
  124   1HB   HIS  18          2HB       HIS  18   0.078   7.732   1.781
  125   2HB   HIS  18          1HB       HIS  18   1.748   7.460   2.270
  126    HD1  HIS  18           1HD      HIS  18   3.450   9.362   1.072
  127    HD2  HIS  18           2HD      HIS  18  -0.531  10.360   1.722
  128    HE1  HIS  18           1HE      HIS  18   3.370  11.875   1.031
  129    HE2  HIS  18           2HE      HIS  18   0.939  12.453   1.340
  130    H    LEU  19           H        LEU  19  -0.178   5.272  -0.507
  131    HA   LEU  19           HA       LEU  19   1.146   3.248   1.109
  132   1HB   LEU  19          2HB       LEU  19  -1.475   3.358  -0.343
  133   2HB   LEU  19          1HB       LEU  19  -0.857   1.866   0.338
  134    HG   LEU  19           HG       LEU  19  -0.732   3.924   2.323
  135   1HD1  LEU  19          1HD1      LEU  19  -2.468   5.166   1.534
  136   2HD1  LEU  19          2HD1      LEU  19  -3.360   3.957   2.455
  137   3HD1  LEU  19          3HD1      LEU  19  -3.216   3.800   0.707
  138   1HD2  LEU  19          1HD2      LEU  19  -2.760   1.860   2.632
  139   2HD2  LEU  19          2HD2      LEU  19  -1.338   2.214   3.615
  140   3HD2  LEU  19          3HD2      LEU  19  -1.183   1.226   2.162
  141    H    GLY  20           H        GLY  20   2.016   1.385   0.387
  142   1HA   GLY  20          2HA       GLY  20   2.185   0.962  -2.524
  143   2HA   GLY  20          1HA       GLY  20   3.644   0.948  -1.541
  144    H    CYS  21           H        CYS  21   1.649  -1.052  -3.065
  145    HA   CYS  21           HA       CYS  21   1.025  -2.994  -1.115
  146   1HB   CYS  21          2HB       CYS  21   0.086  -2.643  -3.540
  147   2HB   CYS  21          1HB       CYS  21   1.394  -3.731  -3.995
  148    H    LYS  22           H        LYS  22   2.215  -4.573  -0.240
  149    HA   LYS  22           HA       LYS  22   4.842  -5.147  -1.443
  150   1HB   LYS  22          2HB       LYS  22   4.343  -5.436   1.498
  151   2HB   LYS  22          1HB       LYS  22   5.865  -5.207   0.649
  152   1HG   LYS  22          2HG       LYS  22   5.418  -2.910   0.279
  153   2HG   LYS  22          1HG       LYS  22   3.743  -3.086   0.809
  154   1HD   LYS  22          2HD       LYS  22   4.573  -2.287   2.753
  155   2HD   LYS  22          1HD       LYS  22   5.014  -3.977   3.003
  156   1HE   LYS  22          2HE       LYS  22   7.146  -3.373   3.150
  157   2HE   LYS  22          1HE       LYS  22   7.079  -2.809   1.481
  158   1HZ   LYS  22          1HZ       LYS  22   7.677  -0.895   2.516
  159   2HZ   LYS  22          2HZ       LYS  22   6.900  -1.282   3.967
  160   3HZ   LYS  22          3HZ       LYS  22   5.997  -0.730   2.647
  161    H    PHE  23           H        PHE  23   5.504  -7.261  -1.545
  162    HA   PHE  23           HA       PHE  23   3.457  -9.238  -1.445
  163   1HB   PHE  23          2HB       PHE  23   5.856  -8.911  -2.826
  164   2HB   PHE  23          1HB       PHE  23   6.118 -10.313  -1.795
  165    HD1  PHE  23           1HD      PHE  23   3.694  -8.903  -4.238
  166    HD2  PHE  23           2HD      PHE  23   5.366 -12.392  -2.467
  167    HE1  PHE  23           1HE      PHE  23   2.456 -10.304  -5.838
  168    HE2  PHE  23           2HE      PHE  23   4.131 -13.799  -4.064
  169    HZ   PHE  23           HZ       PHE  23   2.675 -12.756  -5.753
  170    H    ARG  24           H        ARG  24   3.373  -8.609   1.031
  171    HA   ARG  24           HA       ARG  24   4.622 -10.846   2.418
  172   1HB   ARG  24          2HB       ARG  24   4.703  -8.361   3.991
  173   2HB   ARG  24          1HB       ARG  24   5.874  -9.668   3.885
  174   1HG   ARG  24          2HG       ARG  24   6.628  -8.759   1.712
  175   2HG   ARG  24          1HG       ARG  24   5.524  -7.401   1.937
  176   1HD   ARG  24          2HD       ARG  24   7.010  -6.354   3.213
  177   2HD   ARG  24          1HD       ARG  24   7.106  -7.743   4.295
  178    HE   ARG  24           HE       ARG  24   9.078  -8.340   3.299
  179   1HH1  ARG  24          1HH1      ARG  24   7.439  -6.014   1.293
  180   2HH1  ARG  24          2HH1      ARG  24   8.772  -5.819   0.204
  181   1HH2  ARG  24          1HH2      ARG  24  10.843  -8.089   1.875
  182   2HH2  ARG  24          2HH2      ARG  24  10.707  -7.000   0.534
  183    H    ASP  25           H        ASP  25   2.942  -7.922   3.540
  184    HA   ASP  25           HA       ASP  25   1.172  -9.454   5.182
  185   1HB   ASP  25          2HB       ASP  25   1.289  -6.525   4.466
  186   2HB   ASP  25          1HB       ASP  25   0.062  -7.199   5.532
  187    H    LYS  26           H        LYS  26   1.050  -8.153   1.975
  188    HA   LYS  26           HA       LYS  26  -0.387  -8.777   0.280
  189   1HB   LYS  26          2HB       LYS  26  -2.377  -9.638   2.383
  190   2HB   LYS  26          1HB       LYS  26  -2.413 -10.005   0.666
  191   1HG   LYS  26          2HG       LYS  26  -0.526 -11.445   0.847
  192   2HG   LYS  26          1HG       LYS  26  -0.230 -10.941   2.512
  193   1HD   LYS  26          2HD       LYS  26  -1.305 -13.127   2.449
  194   2HD   LYS  26          1HD       LYS  26  -2.372 -11.928   3.184
  195   1HE   LYS  26          2HE       LYS  26  -3.632 -13.325   1.666
  196   2HE   LYS  26          1HE       LYS  26  -3.540 -11.683   1.030
  197   1HZ   LYS  26          1HZ       LYS  26  -2.391 -14.143  -0.008
  198   2HZ   LYS  26          2HZ       LYS  26  -1.418 -12.766  -0.135
  199   3HZ   LYS  26          3HZ       LYS  26  -2.958 -12.779  -0.835
  200    H    TYR  27           H        TYR  27  -0.893  -6.634   2.823
  201    HA   TYR  27           HA       TYR  27  -3.117  -5.311   1.434
  202   1HB   TYR  27          2HB       TYR  27  -3.242  -3.886   3.520
  203   2HB   TYR  27          1HB       TYR  27  -3.652  -5.575   3.734
  204    HD1  TYR  27           1HD      TYR  27  -3.080  -6.213   5.870
  205    HD2  TYR  27           2HD      TYR  27  -0.365  -3.774   3.681
  206    HE1  TYR  27           1HE      TYR  27  -1.467  -6.353   7.722
  207    HE2  TYR  27           2HE      TYR  27   1.255  -3.913   5.522
  208    HH   TYR  27           HH       TYR  27   0.425  -5.294   8.601
  209    H    CYS  28           H        CYS  28  -2.831  -2.738   2.155
  210    HA   CYS  28           HA       CYS  28  -0.459  -1.951   0.635
  211   1HB   CYS  28          2HB       CYS  28  -2.864  -0.292   1.414
  212   2HB   CYS  28          1HB       CYS  28  -1.594   0.170   0.286
  213    H    ALA  29           H        ALA  29   1.263  -1.192   1.669
  214    HA   ALA  29           HA       ALA  29   0.860   0.061   4.309
  215   1HB   ALA  29          1HB       ALA  29   2.613  -1.044   5.184
  216   2HB   ALA  29          2HB       ALA  29   3.543  -0.969   3.686
  217   3HB   ALA  29          3HB       ALA  29   2.286  -2.189   3.884
  218    H    TRP  30           H        TRP  30   1.836   1.986   4.718
  219    HA   TRP  30           HA       TRP  30   2.172   3.902   2.892
  220   1HB   TRP  30          2HB       TRP  30   3.939   3.531   5.320
  221   2HB   TRP  30          1HB       TRP  30   3.775   5.032   4.416
  222    HD1  TRP  30           HD       TRP  30   2.701   3.856   7.533
  223    HE1  TRP  30           1HE      TRP  30   0.401   4.765   8.243
  224    HE3  TRP  30           3HE      TRP  30   1.029   5.470   2.981
  225    HZ2  TRP  30           2HZ      TRP  30  -1.830   6.000   7.033
  226    HZ3  TRP  30           3HZ      TRP  30  -1.200   6.504   2.844
  227    HH2  TRP  30           HH       TRP  30  -2.598   6.760   4.828
  228    H    ASP  31           H        ASP  31   3.964   4.891   1.807
  229    HA   ASP  31           HA       ASP  31   5.604   3.030   0.443
  230   1HB   ASP  31          2HB       ASP  31   5.297   6.014   0.345
  231   2HB   ASP  31          1HB       ASP  31   6.595   5.217  -0.537
  232    H    PHE  32           H        PHE  32   6.290   2.654   2.969
  233    HA   PHE  32           HA       PHE  32   8.068   3.976   4.411
  234   1HB   PHE  32          2HB       PHE  32   7.330   1.520   4.592
  235   2HB   PHE  32          1HB       PHE  32   8.734   1.154   3.597
  236    HD1  PHE  32           1HD      PHE  32  10.952   1.274   4.486
  237    HD2  PHE  32           2HD      PHE  32   7.606   2.420   6.851
  238    HE1  PHE  32           1HE      PHE  32  12.373   1.263   6.495
  239    HE2  PHE  32           2HE      PHE  32   9.020   2.412   8.864
  240    HZ   PHE  32           HZ       PHE  32  11.407   1.833   8.688
  241    H    THR  33           H        THR  33   9.291   5.490   3.291
  242    HA   THR  33           HA       THR  33  10.933   4.976   1.086
  243    HB   THR  33           HB       THR  33  10.625   7.234   1.425
  244    HG1  THR  33           1HG      THR  33  12.633   8.106   2.136
  245   1HG2  THR  33          1HG2      THR  33   9.634   7.375   3.535
  246   2HG2  THR  33          2HG2      THR  33  11.101   8.346   3.654
  247   3HG2  THR  33          3HG2      THR  33  11.060   6.724   4.344
  248    H    PHE  34           H        PHE  34  13.457   5.550   1.411
  249    HA   PHE  34           HA       PHE  34  15.485   4.675   1.960
  250   1HB   PHE  34          2HB       PHE  34  14.463   5.651   4.251
  251   2HB   PHE  34          1HB       PHE  34  14.625   3.959   4.710
  252    HD1  PHE  34           1HD      PHE  34  16.174   6.916   5.093
  253    HD2  PHE  34           2HD      PHE  34  17.031   3.021   3.607
  254    HE1  PHE  34           1HE      PHE  34  18.565   7.272   5.551
  255    HE2  PHE  34           2HE      PHE  34  19.423   3.370   4.063
  256    HZ   PHE  34           HZ       PHE  34  20.193   5.498   5.036
  257    H    SER  35           H        SER  35  15.631   2.835   0.761
  258    HA   SER  35           HA       SER  35  14.591   0.355   1.957
  259   1HB   SER  35          2HB       SER  35  14.519  -0.599  -0.234
  260   2HB   SER  35          1HB       SER  35  13.801   1.007  -0.361
  261    HG   SER  35           HG       SER  35  16.460   0.287  -1.049
  Start of MODEL   18
    1    HA   GLU   1           HA       GLU   1  -9.722   1.733  -6.243
    2   1HB   GLU   1          2HB       GLU   1 -11.394   2.404  -4.803
    3   2HB   GLU   1          1HB       GLU   1 -11.865   0.733  -5.081
    4   1HG   GLU   1          2HG       GLU   1 -10.966   0.050  -2.985
    5   2HG   GLU   1          1HG       GLU   1 -10.214   1.625  -2.732
    6   1HT   GLU   1          1HT       GLU   1  -9.219  -0.363  -6.676
    7   2HT   GLU   1          2HT       GLU   1 -10.716  -0.638  -5.882
    8   3HT   GLU   1          3HT       GLU   1  -9.241  -0.842  -5.030
    9    H    CYS   2           H        CYS   2  -8.718   3.386  -4.954
   10    HA   CYS   2           HA       CYS   2  -6.213   2.835  -4.030
   11   1HB   CYS   2          2HB       CYS   2  -6.181   5.068  -3.926
   12   2HB   CYS   2          1HB       CYS   2  -7.916   5.100  -4.114
   13    H    ARG   3           H        ARG   3  -5.976   1.129  -2.810
   14    HA   ARG   3           HA       ARG   3  -7.438   0.714  -0.408
   15   1HB   ARG   3          2HB       ARG   3  -5.283  -0.698  -1.894
   16   2HB   ARG   3          1HB       ARG   3  -5.434  -1.038  -0.176
   17   1HG   ARG   3          2HG       ARG   3  -7.173  -1.814  -2.416
   18   2HG   ARG   3          1HG       ARG   3  -6.834  -2.645  -0.897
   19   1HD   ARG   3          2HD       ARG   3  -8.275  -0.939   0.244
   20   2HD   ARG   3          1HD       ARG   3  -8.728  -0.346  -1.353
   21    HE   ARG   3           HE       ARG   3  -9.166  -3.178  -0.905
   22   1HH1  ARG   3          1HH1      ARG   3 -10.498   0.037  -0.826
   23   2HH1  ARG   3          2HH1      ARG   3 -12.143  -0.500  -0.912
   24   1HH2  ARG   3          1HH2      ARG   3 -11.330  -3.900  -1.021
   25   2HH2  ARG   3          2HH2      ARG   3 -12.616  -2.739  -1.023
   26    H    TYR   4           H        TYR   4  -7.161   2.197   1.042
   27    HA   TYR   4           HA       TYR   4  -4.690   3.471   1.622
   28   1HB   TYR   4          2HB       TYR   4  -6.499   4.789   2.217
   29   2HB   TYR   4          1HB       TYR   4  -7.440   3.427   2.810
   30    HD1  TYR   4           1HD      TYR   4  -4.795   5.845   3.643
   31    HD2  TYR   4           2HD      TYR   4  -7.288   2.720   5.100
   32    HE1  TYR   4           1HE      TYR   4  -4.194   6.449   5.949
   33    HE2  TYR   4           2HE      TYR   4  -6.692   3.315   7.411
   34    HH   TYR   4           HH       TYR   4  -4.133   5.450   8.155
   35    H    LEU   5           H        LEU   5  -3.937   3.376   4.093
   36    HA   LEU   5           HA       LEU   5  -2.542   1.224   4.705
   37   1HB   LEU   5          2HB       LEU   5  -3.881   3.229   6.339
   38   2HB   LEU   5          1HB       LEU   5  -3.598   1.731   7.203
   39    HG   LEU   5           HG       LEU   5  -1.376   3.079   5.703
   40   1HD1  LEU   5          1HD1      LEU   5  -1.972   4.851   7.066
   41   2HD1  LEU   5          2HD1      LEU   5  -0.804   3.984   8.062
   42   3HD1  LEU   5          3HD1      LEU   5  -2.532   3.799   8.365
   43   1HD2  LEU   5          1HD2      LEU   5  -0.623   1.844   8.147
   44   2HD2  LEU   5          2HD2      LEU   5  -0.200   1.377   6.499
   45   3HD2  LEU   5          3HD2      LEU   5  -1.653   0.722   7.256
   46    H    PHE   6           H        PHE   6  -2.799  -0.875   4.984
   47    HA   PHE   6           HA       PHE   6  -3.689  -2.900   5.489
   48   1HB   PHE   6          2HB       PHE   6  -5.725  -1.221   6.957
   49   2HB   PHE   6          1HB       PHE   6  -5.707  -2.981   6.989
   50    HD1  PHE   6           1HD      PHE   6  -3.194  -3.915   7.487
   51    HD2  PHE   6           2HD      PHE   6  -4.825  -0.210   8.800
   52    HE1  PHE   6           1HE      PHE   6  -1.586  -3.871   9.348
   53    HE2  PHE   6           2HE      PHE   6  -3.218  -0.160  10.665
   54    HZ   PHE   6           HZ       PHE   6  -1.597  -1.992  10.940
   55    H    GLY   7           H        GLY   7  -4.364  -1.489   3.033
   56   1HA   GLY   7          2HA       GLY   7  -7.083  -2.487   2.505
   57   2HA   GLY   7          1HA       GLY   7  -6.220  -1.318   1.518
   58    H    GLY   8           H        GLY   8  -7.408  -4.279   1.365
   59   1HA   GLY   8          2HA       GLY   8  -5.317  -5.942   0.508
   60   2HA   GLY   8          1HA       GLY   8  -7.005  -6.121   0.057
   61    H    CYS   9           H        CYS   9  -3.937  -5.567  -1.097
   62    HA   CYS   9           HA       CYS   9  -5.006  -4.412  -3.593
   63   1HB   CYS   9          2HB       CYS   9  -2.650  -3.541  -3.950
   64   2HB   CYS   9          1HB       CYS   9  -3.573  -2.761  -2.670
   65    H    LYS  10           H        LYS  10  -4.327  -5.270  -5.535
   66    HA   LYS  10           HA       LYS  10  -3.327  -7.980  -5.414
   67   1HB   LYS  10          2HB       LYS  10  -4.901  -6.420  -7.246
   68   2HB   LYS  10          1HB       LYS  10  -3.547  -7.145  -8.105
   69   1HG   LYS  10          2HG       LYS  10  -4.508  -9.143  -8.084
   70   2HG   LYS  10          1HG       LYS  10  -4.801  -9.056  -6.347
   71   1HD   LYS  10          2HD       LYS  10  -6.855  -9.283  -7.795
   72   2HD   LYS  10          1HD       LYS  10  -6.866  -7.932  -6.660
   73   1HE   LYS  10          2HE       LYS  10  -6.735  -6.369  -8.305
   74   2HE   LYS  10          1HE       LYS  10  -5.786  -7.408  -9.366
   75   1HZ   LYS  10          1HZ       LYS  10  -8.700  -7.659  -8.853
   76   2HZ   LYS  10          2HZ       LYS  10  -7.792  -8.666  -9.863
   77   3HZ   LYS  10          3HZ       LYS  10  -7.993  -7.032 -10.257
   78    H    THR  11           H        THR  11  -2.197  -4.838  -6.084
   79    HA   THR  11           HA       THR  11   0.525  -5.728  -6.242
   80    HB   THR  11           HB       THR  11   0.777  -5.752  -8.456
   81    HG1  THR  11           1HG      THR  11   0.384  -3.645  -9.562
   82   1HG2  THR  11          1HG2      THR  11  -1.912  -4.485  -8.868
   83   2HG2  THR  11          2HG2      THR  11  -1.658  -6.217  -8.646
   84   3HG2  THR  11          3HG2      THR  11  -0.960  -5.394 -10.041
   85    H    THR  12           H        THR  12   1.884  -3.635  -6.937
   86    HA   THR  12           HA       THR  12   1.498  -1.775  -4.854
   87    HB   THR  12           HB       THR  12   3.198  -1.687  -7.339
   88    HG1  THR  12           1HG      THR  12   4.831  -1.848  -5.616
   89   1HG2  THR  12          1HG2      THR  12   4.290   0.239  -6.566
   90   2HG2  THR  12          2HG2      THR  12   3.423   0.208  -5.031
   91   3HG2  THR  12          3HG2      THR  12   2.566   0.603  -6.520
   92    H    SER  13           H        SER  13   0.525  -1.817  -8.202
   93    HA   SER  13           HA       SER  13  -0.436   0.893  -8.129
   94   1HB   SER  13          2HB       SER  13  -0.592  -1.240 -10.263
   95   2HB   SER  13          1HB       SER  13  -1.203   0.403 -10.460
   96    HG   SER  13           HG       SER  13   0.879   0.285 -11.289
   97    H    ASP  14           H        ASP  14  -1.630  -0.734  -6.183
   98    HA   ASP  14           HA       ASP  14  -4.410  -0.693  -7.112
   99   1HB   ASP  14          2HB       ASP  14  -2.975  -2.944  -5.733
  100   2HB   ASP  14          1HB       ASP  14  -4.716  -2.749  -5.556
  101    H    CYS  15           H        CYS  15  -2.279   0.649  -5.107
  102    HA   CYS  15           HA       CYS  15  -4.228   0.946  -2.914
  103   1HB   CYS  15          2HB       CYS  15  -1.245   1.406  -2.707
  104   2HB   CYS  15          1HB       CYS  15  -2.408   1.328  -1.389
  105    H    CYS  16           H        CYS  16  -3.922   3.039  -1.723
  106    HA   CYS  16           HA       CYS  16  -4.551   5.169  -3.360
  107   1HB   CYS  16          2HB       CYS  16  -3.506   5.304  -0.550
  108   2HB   CYS  16          1HB       CYS  16  -4.469   6.529  -1.376
  109    H    LYS  17           H        LYS  17  -2.767   7.053  -1.799
  110    HA   LYS  17           HA       LYS  17  -0.800   7.239  -3.927
  111   1HB   LYS  17          2HB       LYS  17  -2.191   9.108  -2.221
  112   2HB   LYS  17          1HB       LYS  17  -0.458   9.404  -2.186
  113   1HG   LYS  17          2HG       LYS  17  -0.436   9.548  -4.628
  114   2HG   LYS  17          1HG       LYS  17  -2.177   9.266  -4.655
  115   1HD   LYS  17          2HD       LYS  17  -2.541  11.315  -3.383
  116   2HD   LYS  17          1HD       LYS  17  -0.800  11.588  -3.305
  117   1HE   LYS  17          2HE       LYS  17  -2.403  12.685  -5.166
  118   2HE   LYS  17          1HE       LYS  17  -0.693  12.344  -5.427
  119   1HZ   LYS  17          1HZ       LYS  17  -1.984  11.505  -7.254
  120   2HZ   LYS  17          2HZ       LYS  17  -2.974  10.611  -6.213
  121   3HZ   LYS  17          3HZ       LYS  17  -1.343  10.197  -6.391
  122    H    HIS  18           H        HIS  18  -0.526   8.086  -0.525
  123    HA   HIS  18           HA       HIS  18   2.213   7.634  -0.427
  124   1HB   HIS  18          2HB       HIS  18   0.120   7.964   1.688
  125   2HB   HIS  18          1HB       HIS  18   1.804   7.678   2.114
  126    HD1  HIS  18           1HD      HIS  18   3.273   9.491   0.210
  127    HD2  HIS  18           2HD      HIS  18  -0.237  10.613   2.128
  128    HE1  HIS  18           1HE      HIS  18   3.290  12.005   0.222
  129    HE2  HIS  18           2HE      HIS  18   1.209  12.659   1.483
  130    H    LEU  19           H        LEU  19  -0.266   5.414  -0.477
  131    HA   LEU  19           HA       LEU  19   1.162   3.430   1.111
  132   1HB   LEU  19          2HB       LEU  19  -1.561   3.475  -0.155
  133   2HB   LEU  19          1HB       LEU  19  -0.890   2.025   0.567
  134    HG   LEU  19           HG       LEU  19  -0.600   4.113   2.452
  135   1HD1  LEU  19          1HD1      LEU  19  -3.129   4.203   0.923
  136   2HD1  LEU  19          2HD1      LEU  19  -2.252   5.491   1.749
  137   3HD1  LEU  19          3HD1      LEU  19  -3.229   4.354   2.677
  138   1HD2  LEU  19          1HD2      LEU  19  -2.639   1.912   2.507
  139   2HD2  LEU  19          2HD2      LEU  19  -1.813   2.679   3.863
  140   3HD2  LEU  19          3HD2      LEU  19  -0.918   1.626   2.767
  141    H    GLY  20           H        GLY  20   2.099   1.654   0.382
  142   1HA   GLY  20          2HA       GLY  20   2.063   1.144  -2.525
  143   2HA   GLY  20          1HA       GLY  20   3.543   1.047  -1.576
  144    H    CYS  21           H        CYS  21   1.720  -0.941  -3.133
  145    HA   CYS  21           HA       CYS  21   0.737  -2.755  -1.216
  146   1HB   CYS  21          2HB       CYS  21   0.221  -2.562  -3.750
  147   2HB   CYS  21          1HB       CYS  21   1.606  -3.630  -3.946
  148    H    LYS  22           H        LYS  22   1.669  -4.345  -0.093
  149    HA   LYS  22           HA       LYS  22   4.502  -4.934  -0.646
  150   1HB   LYS  22          2HB       LYS  22   3.609  -5.657   2.025
  151   2HB   LYS  22          1HB       LYS  22   4.997  -4.703   1.529
  152   1HG   LYS  22          2HG       LYS  22   2.328  -3.413   1.400
  153   2HG   LYS  22          1HG       LYS  22   3.039  -3.697   2.988
  154   1HD   LYS  22          2HD       LYS  22   4.499  -2.319   0.744
  155   2HD   LYS  22          1HD       LYS  22   3.552  -1.458   1.960
  156   1HE   LYS  22          2HE       LYS  22   5.050  -1.879   3.625
  157   2HE   LYS  22          1HE       LYS  22   5.567  -3.410   2.921
  158   1HZ   LYS  22          1HZ       LYS  22   7.208  -2.419   1.810
  159   2HZ   LYS  22          2HZ       LYS  22   6.968  -1.099   2.839
  160   3HZ   LYS  22          3HZ       LYS  22   6.239  -1.124   1.314
  161    H    PHE  23           H        PHE  23   5.208  -7.085  -0.443
  162    HA   PHE  23           HA       PHE  23   3.132  -9.030  -0.925
  163   1HB   PHE  23          2HB       PHE  23   6.009  -8.815  -1.542
  164   2HB   PHE  23          1HB       PHE  23   5.427 -10.441  -1.199
  165    HD1  PHE  23           1HD      PHE  23   3.347 -11.224  -2.506
  166    HD2  PHE  23           2HD      PHE  23   5.763  -7.914  -3.659
  167    HE1  PHE  23           1HE      PHE  23   2.484 -11.398  -4.804
  168    HE2  PHE  23           2HE      PHE  23   4.902  -8.082  -5.959
  169    HZ   PHE  23           HZ       PHE  23   3.260  -9.825  -6.532
  170    H    ARG  24           H        ARG  24   2.910  -8.326   1.620
  171    HA   ARG  24           HA       ARG  24   4.189 -10.519   3.117
  172   1HB   ARG  24          2HB       ARG  24   3.313  -7.833   4.195
  173   2HB   ARG  24          1HB       ARG  24   4.068  -9.123   5.121
  174   1HG   ARG  24          2HG       ARG  24   5.878  -8.758   3.123
  175   2HG   ARG  24          1HG       ARG  24   5.263  -7.120   3.360
  176   1HD   ARG  24          2HD       ARG  24   6.196  -8.869   5.624
  177   2HD   ARG  24          1HD       ARG  24   7.269  -7.773   4.755
  178    HE   ARG  24           HE       ARG  24   5.218  -6.174   5.509
  179   1HH1  ARG  24          1HH1      ARG  24   7.296  -8.387   7.212
  180   2HH1  ARG  24          2HH1      ARG  24   7.230  -7.508   8.703
  181   1HH2  ARG  24          1HH2      ARG  24   5.125  -5.003   7.466
  182   2HH2  ARG  24          2HH2      ARG  24   5.994  -5.583   8.847
  183    H    ASP  25           H        ASP  25   1.406  -8.309   3.481
  184    HA   ASP  25           HA       ASP  25  -0.208 -10.650   4.257
  185   1HB   ASP  25          2HB       ASP  25   0.058  -9.072   6.097
  186   2HB   ASP  25          1HB       ASP  25  -0.521  -7.756   5.081
  187    H    LYS  26           H        LYS  26   0.327  -8.667   1.723
  188    HA   LYS  26           HA       LYS  26  -0.819  -8.419  -0.243
  189   1HB   LYS  26          2HB       LYS  26  -3.271  -9.578   1.063
  190   2HB   LYS  26          1HB       LYS  26  -2.858  -9.547  -0.646
  191   1HG   LYS  26          2HG       LYS  26  -1.174 -11.049   1.321
  192   2HG   LYS  26          1HG       LYS  26  -2.637 -11.757   0.635
  193   1HD   LYS  26          2HD       LYS  26  -1.576 -11.007  -1.637
  194   2HD   LYS  26          1HD       LYS  26  -0.076 -11.011  -0.707
  195   1HE   LYS  26          2HE       LYS  26  -0.369 -13.150  -1.792
  196   2HE   LYS  26          1HE       LYS  26  -0.524 -13.342  -0.046
  197   1HZ   LYS  26          1HZ       LYS  26  -2.814 -13.622  -0.206
  198   2HZ   LYS  26          2HZ       LYS  26  -2.223 -14.501  -1.524
  199   3HZ   LYS  26          3HZ       LYS  26  -2.898 -12.968  -1.764
  200    H    TYR  27           H        TYR  27  -1.053  -6.734   2.360
  201    HA   TYR  27           HA       TYR  27  -3.399  -5.151   1.595
  202   1HB   TYR  27          2HB       TYR  27  -3.074  -4.018   3.802
  203   2HB   TYR  27          1HB       TYR  27  -3.426  -5.731   3.912
  204    HD1  TYR  27           1HD      TYR  27  -0.073  -5.170   2.847
  205    HD2  TYR  27           2HD      TYR  27  -2.558  -5.276   6.300
  206    HE1  TYR  27           1HE      TYR  27   1.913  -5.470   4.260
  207    HE2  TYR  27           2HE      TYR  27  -0.576  -5.581   7.722
  208    HH   TYR  27           HH       TYR  27   2.597  -6.129   6.357
  209    H    CYS  28           H        CYS  28  -2.778  -2.703   2.566
  210    HA   CYS  28           HA       CYS  28  -0.501  -1.889   0.884
  211   1HB   CYS  28          2HB       CYS  28  -3.021  -0.331   1.490
  212   2HB   CYS  28          1HB       CYS  28  -1.684   0.223   0.487
  213    H    ALA  29           H        ALA  29   1.119  -0.914   1.854
  214    HA   ALA  29           HA       ALA  29   0.633   0.478   4.400
  215   1HB   ALA  29          1HB       ALA  29   1.891  -1.924   4.304
  216   2HB   ALA  29          2HB       ALA  29   2.186  -0.695   5.535
  217   3HB   ALA  29          3HB       ALA  29   3.257  -0.821   4.139
  218    H    TRP  30           H        TRP  30   1.905   2.313   4.763
  219    HA   TRP  30           HA       TRP  30   2.493   4.002   2.766
  220   1HB   TRP  30          2HB       TRP  30   4.171   3.689   5.265
  221   2HB   TRP  30          1HB       TRP  30   4.143   5.111   4.227
  222    HD1  TRP  30           HD       TRP  30   3.050   4.459   7.426
  223    HE1  TRP  30           1HE      TRP  30   0.820   5.583   8.047
  224    HE3  TRP  30           3HE      TRP  30   1.329   5.471   2.728
  225    HZ2  TRP  30           2HZ      TRP  30  -1.380   6.746   6.714
  226    HZ3  TRP  30           3HZ      TRP  30  -0.850   6.589   2.485
  227    HH2  TRP  30           HH       TRP  30  -2.176   7.213   4.439
  228    H    ASP  31           H        ASP  31   4.296   4.574   1.508
  229    HA   ASP  31           HA       ASP  31   6.709   3.108   1.534
  230   1HB   ASP  31          2HB       ASP  31   4.544   1.963   0.052
  231   2HB   ASP  31          1HB       ASP  31   5.797   2.482  -1.072
  232    H    PHE  32           H        PHE  32   7.604   5.152   1.503
  233    HA   PHE  32           HA       PHE  32   8.346   6.191  -0.953
  234   1HB   PHE  32          2HB       PHE  32   5.982   6.910  -1.102
  235   2HB   PHE  32          1HB       PHE  32   6.193   7.846   0.374
  236    HD1  PHE  32           1HD      PHE  32   7.223   9.978   0.341
  237    HD2  PHE  32           2HD      PHE  32   7.192   7.561  -3.161
  238    HE1  PHE  32           1HE      PHE  32   7.989  11.902  -0.988
  239    HE2  PHE  32           2HE      PHE  32   7.959   9.479  -4.497
  240    HZ   PHE  32           HZ       PHE  32   8.360  11.653  -3.410
  241    H    THR  33           H        THR  33  10.188   5.864   0.535
  242    HA   THR  33           HA       THR  33  11.944   6.764   1.671
  243    HB   THR  33           HB       THR  33  12.283   9.057   1.650
  244    HG1  THR  33           1HG      THR  33  10.790  10.002   2.826
  245   1HG2  THR  33          1HG2      THR  33  12.000   9.483  -0.499
  246   2HG2  THR  33          2HG2      THR  33  10.253   9.604  -0.299
  247   3HG2  THR  33          3HG2      THR  33  10.999   8.035  -0.603
  248    H    PHE  34           H        PHE  34  12.558   7.567   3.817
  249    HA   PHE  34           HA       PHE  34  10.758   8.234   5.834
  250   1HB   PHE  34          2HB       PHE  34  10.738   6.038   7.087
  251   2HB   PHE  34          1HB       PHE  34   9.736   6.090   5.641
  252    HD1  PHE  34           1HD      PHE  34  13.143   5.943   4.753
  253    HD2  PHE  34           2HD      PHE  34   9.902   3.537   6.103
  254    HE1  PHE  34           1HE      PHE  34  14.280   3.937   3.894
  255    HE2  PHE  34           2HE      PHE  34  11.033   1.526   5.247
  256    HZ   PHE  34           HZ       PHE  34  13.224   1.724   4.142
  257    H    SER  35           H        SER  35  13.242   9.118   5.168
  258    HA   SER  35           HA       SER  35  15.186   9.772   6.161
  259   1HB   SER  35          2HB       SER  35  14.504   8.067   8.550
  260   2HB   SER  35          1HB       SER  35  15.465   9.545   8.497
  261    HG   SER  35           HG       SER  35  12.737   9.215   8.644
  Start of MODEL   19
    1    HA   GLU   1           HA       GLU   1  -9.930   1.704  -6.532
    2   1HB   GLU   1          2HB       GLU   1 -11.171   3.418  -5.568
    3   2HB   GLU   1          1HB       GLU   1 -12.303   2.072  -5.533
    4   1HG   GLU   1          2HG       GLU   1 -11.832   1.679  -3.202
    5   2HG   GLU   1          1HG       GLU   1 -10.585   2.925  -3.213
    6   1HT   GLU   1          1HT       GLU   1 -10.995  -0.119  -4.483
    7   2HT   GLU   1          2HT       GLU   1 -10.021  -0.529  -5.835
    8   3HT   GLU   1          3HT       GLU   1 -11.616   0.060  -6.070
    9    H    CYS   2           H        CYS   2  -8.694   3.479  -5.351
   10    HA   CYS   2           HA       CYS   2  -6.368   2.648  -4.307
   11   1HB   CYS   2          2HB       CYS   2  -5.998   4.844  -4.153
   12   2HB   CYS   2          1HB       CYS   2  -7.682   5.109  -4.528
   13    H    ARG   3           H        ARG   3  -6.094   1.133  -2.933
   14    HA   ARG   3           HA       ARG   3  -7.683   0.842  -0.572
   15   1HB   ARG   3          2HB       ARG   3  -5.730  -0.744  -2.073
   16   2HB   ARG   3          1HB       ARG   3  -5.559  -0.909  -0.333
   17   1HG   ARG   3          2HG       ARG   3  -7.343  -2.257  -2.021
   18   2HG   ARG   3          1HG       ARG   3  -7.269  -2.322  -0.264
   19   1HD   ARG   3          2HD       ARG   3  -8.916  -0.662  -0.023
   20   2HD   ARG   3          1HD       ARG   3  -8.767  -0.157  -1.705
   21    HE   ARG   3           HE       ARG   3  -9.594  -2.843  -1.627
   22   1HH1  ARG   3          1HH1      ARG   3 -10.781   0.349  -0.897
   23   2HH1  ARG   3          2HH1      ARG   3 -12.437  -0.054  -1.209
   24   1HH2  ARG   3          1HH2      ARG   3 -11.771  -3.384  -2.043
   25   2HH2  ARG   3          2HH2      ARG   3 -12.999  -2.177  -1.861
   26    H    TYR   4           H        TYR   4  -7.395   2.299   0.891
   27    HA   TYR   4           HA       TYR   4  -5.033   3.700   1.441
   28   1HB   TYR   4          2HB       TYR   4  -7.628   3.880   2.291
   29   2HB   TYR   4          1HB       TYR   4  -6.827   3.291   3.743
   30    HD1  TYR   4           1HD      TYR   4  -5.770   4.799   5.163
   31    HD2  TYR   4           2HD      TYR   4  -6.548   5.948   1.141
   32    HE1  TYR   4           1HE      TYR   4  -5.004   7.080   5.673
   33    HE2  TYR   4           2HE      TYR   4  -5.786   8.231   1.639
   34    HH   TYR   4           HH       TYR   4  -4.933   9.208   4.919
   35    H    LEU   5           H        LEU   5  -4.839   3.422   4.268
   36    HA   LEU   5           HA       LEU   5  -2.833   1.496   4.494
   37   1HB   LEU   5          2HB       LEU   5  -3.963   3.483   6.133
   38   2HB   LEU   5          1HB       LEU   5  -4.037   1.990   7.050
   39    HG   LEU   5           HG       LEU   5  -1.589   3.346   5.940
   40   1HD1  LEU   5          1HD1      LEU   5  -0.892   3.430   8.242
   41   2HD1  LEU   5          2HD1      LEU   5  -2.313   2.516   8.745
   42   3HD1  LEU   5          3HD1      LEU   5  -2.496   4.146   8.097
   43   1HD2  LEU   5          1HD2      LEU   5  -2.047   0.516   6.627
   44   2HD2  LEU   5          2HD2      LEU   5  -0.597   1.252   7.311
   45   3HD2  LEU   5          3HD2      LEU   5  -0.845   1.249   5.565
   46    H    PHE   6           H        PHE   6  -2.840  -0.619   4.771
   47    HA   PHE   6           HA       PHE   6  -3.486  -2.734   5.283
   48   1HB   PHE   6          2HB       PHE   6  -4.962  -1.090   7.169
   49   2HB   PHE   6          1HB       PHE   6  -5.844  -2.556   6.750
   50    HD1  PHE   6           1HD      PHE   6  -4.024  -1.379   9.249
   51    HD2  PHE   6           2HD      PHE   6  -3.808  -4.553   6.423
   52    HE1  PHE   6           1HE      PHE   6  -2.614  -2.665  10.805
   53    HE2  PHE   6           2HE      PHE   6  -2.400  -5.845   7.973
   54    HZ   PHE   6           HZ       PHE   6  -1.801  -4.900  10.167
   55    H    GLY   7           H        GLY   7  -4.510  -1.270   2.949
   56   1HA   GLY   7          2HA       GLY   7  -7.162  -2.447   2.566
   57   2HA   GLY   7          1HA       GLY   7  -6.374  -1.298   1.496
   58    H    GLY   8           H        GLY   8  -7.593  -4.153   1.284
   59   1HA   GLY   8          2HA       GLY   8  -5.558  -5.929   0.526
   60   2HA   GLY   8          1HA       GLY   8  -7.223  -6.003  -0.028
   61    H    CYS   9           H        CYS   9  -4.095  -5.713  -1.037
   62    HA   CYS   9           HA       CYS   9  -4.958  -4.466  -3.564
   63   1HB   CYS   9          2HB       CYS   9  -2.632  -3.543  -3.766
   64   2HB   CYS   9          1HB       CYS   9  -3.602  -2.833  -2.481
   65    H    LYS  10           H        LYS  10  -4.339  -5.424  -5.422
   66    HA   LYS  10           HA       LYS  10  -3.158  -8.061  -5.220
   67   1HB   LYS  10          2HB       LYS  10  -3.784  -6.878  -7.872
   68   2HB   LYS  10          1HB       LYS  10  -4.070  -8.507  -7.277
   69   1HG   LYS  10          2HG       LYS  10  -5.706  -6.717  -5.793
   70   2HG   LYS  10          1HG       LYS  10  -5.903  -6.368  -7.510
   71   1HD   LYS  10          2HD       LYS  10  -6.315  -8.784  -7.900
   72   2HD   LYS  10          1HD       LYS  10  -6.241  -9.041  -6.156
   73   1HE   LYS  10          2HE       LYS  10  -8.474  -8.755  -6.292
   74   2HE   LYS  10          1HE       LYS  10  -8.041  -7.047  -6.255
   75   1HZ   LYS  10          1HZ       LYS  10  -9.430  -7.168  -8.065
   76   2HZ   LYS  10          2HZ       LYS  10  -8.883  -8.696  -8.540
   77   3HZ   LYS  10          3HZ       LYS  10  -7.919  -7.333  -8.807
   78    H    THR  11           H        THR  11  -2.280  -4.883  -6.047
   79    HA   THR  11           HA       THR  11   0.479  -5.662  -6.413
   80    HB   THR  11           HB       THR  11   0.529  -5.477  -8.637
   81    HG1  THR  11           1HG      THR  11   1.038  -3.518  -9.092
   82   1HG2  THR  11          1HG2      THR  11  -1.558  -4.392  -9.834
   83   2HG2  THR  11          2HG2      THR  11  -2.323  -4.777  -8.292
   84   3HG2  THR  11          3HG2      THR  11  -1.576  -6.055  -9.251
   85    H    THR  12           H        THR  12   1.704  -3.470  -7.009
   86    HA   THR  12           HA       THR  12   1.332  -1.793  -4.742
   87    HB   THR  12           HB       THR  12   3.093  -1.616  -7.173
   88    HG1  THR  12           1HG      THR  12   3.960  -1.720  -4.514
   89   1HG2  THR  12          1HG2      THR  12   4.208   0.272  -6.270
   90   2HG2  THR  12          2HG2      THR  12   3.181   0.261  -4.834
   91   3HG2  THR  12          3HG2      THR  12   2.496   0.668  -6.409
   92    H    SER  13           H        SER  13   0.382  -1.615  -8.094
   93    HA   SER  13           HA       SER  13  -0.467   1.116  -7.913
   94   1HB   SER  13          2HB       SER  13   0.303  -0.440 -10.008
   95   2HB   SER  13          1HB       SER  13  -1.451  -0.490 -10.176
   96    HG   SER  13           HG       SER  13  -1.226   1.393 -11.067
   97    H    ASP  14           H        ASP  14  -1.673  -1.425  -6.467
   98    HA   ASP  14           HA       ASP  14  -4.480  -0.960  -7.169
   99   1HB   ASP  14          2HB       ASP  14  -3.022  -3.179  -5.776
  100   2HB   ASP  14          1HB       ASP  14  -4.750  -2.964  -5.507
  101    H    CYS  15           H        CYS  15  -2.412   0.534  -5.264
  102    HA   CYS  15           HA       CYS  15  -4.355   0.847  -3.070
  103   1HB   CYS  15          2HB       CYS  15  -1.373   1.260  -2.837
  104   2HB   CYS  15          1HB       CYS  15  -2.549   1.238  -1.526
  105    H    CYS  16           H        CYS  16  -3.881   2.936  -1.843
  106    HA   CYS  16           HA       CYS  16  -4.461   5.093  -3.521
  107   1HB   CYS  16          2HB       CYS  16  -3.573   5.147  -0.650
  108   2HB   CYS  16          1HB       CYS  16  -4.433   6.429  -1.506
  109    H    LYS  17           H        LYS  17  -2.806   7.014  -2.004
  110    HA   LYS  17           HA       LYS  17  -0.633   7.030  -3.929
  111   1HB   LYS  17          2HB       LYS  17  -2.059   9.045  -2.330
  112   2HB   LYS  17          1HB       LYS  17  -0.339   9.346  -2.540
  113   1HG   LYS  17          2HG       LYS  17  -1.225  10.449  -4.344
  114   2HG   LYS  17          1HG       LYS  17  -0.845   8.876  -5.051
  115   1HD   LYS  17          2HD       LYS  17  -3.057   9.576  -5.746
  116   2HD   LYS  17          1HD       LYS  17  -3.181   8.176  -4.678
  117   1HE   LYS  17          2HE       LYS  17  -3.260  10.443  -3.020
  118   2HE   LYS  17          1HE       LYS  17  -4.318  10.796  -4.385
  119   1HZ   LYS  17          1HZ       LYS  17  -5.843   9.542  -3.412
  120   2HZ   LYS  17          2HZ       LYS  17  -4.772   9.074  -2.190
  121   3HZ   LYS  17          3HZ       LYS  17  -4.854   8.187  -3.628
  122    H    HIS  18           H        HIS  18  -0.744   8.019  -0.531
  123    HA   HIS  18           HA       HIS  18   1.969   7.745  -0.118
  124   1HB   HIS  18          2HB       HIS  18  -0.319   7.708   1.834
  125   2HB   HIS  18          1HB       HIS  18   1.368   7.731   2.336
  126    HD1  HIS  18           1HD      HIS  18   1.363   9.762  -0.533
  127    HD2  HIS  18           2HD      HIS  18   0.021  10.299   3.363
  128    HE1  HIS  18           1HE      HIS  18   1.204  12.251  -0.214
  129    HE2  HIS  18           2HE      HIS  18   0.320  12.550   2.127
  130    H    LEU  19           H        LEU  19  -0.326   5.326  -0.460
  131    HA   LEU  19           HA       LEU  19   1.159   3.399   1.148
  132   1HB   LEU  19          2HB       LEU  19  -1.487   3.313  -0.257
  133   2HB   LEU  19          1HB       LEU  19  -0.726   1.857   0.356
  134    HG   LEU  19           HG       LEU  19  -0.728   3.836   2.414
  135   1HD1  LEU  19          1HD1      LEU  19  -3.281   3.484   0.910
  136   2HD1  LEU  19          2HD1      LEU  19  -2.573   4.950   1.588
  137   3HD1  LEU  19          3HD1      LEU  19  -3.300   3.749   2.654
  138   1HD2  LEU  19          1HD2      LEU  19  -0.871   1.151   2.205
  139   2HD2  LEU  19          2HD2      LEU  19  -2.551   1.542   2.580
  140   3HD2  LEU  19          3HD2      LEU  19  -1.259   2.055   3.669
  141    H    GLY  20           H        GLY  20   1.750   1.357   0.348
  142   1HA   GLY  20          2HA       GLY  20   2.062   1.052  -2.539
  143   2HA   GLY  20          1HA       GLY  20   3.530   1.083  -1.568
  144    H    CYS  21           H        CYS  21   1.520  -0.973  -3.053
  145    HA   CYS  21           HA       CYS  21   0.967  -2.913  -1.098
  146   1HB   CYS  21          2HB       CYS  21   0.076  -2.624  -3.538
  147   2HB   CYS  21          1HB       CYS  21   1.428  -3.669  -3.955
  148    H    LYS  22           H        LYS  22   2.250  -4.298  -0.084
  149    HA   LYS  22           HA       LYS  22   5.046  -4.425  -0.757
  150   1HB   LYS  22          2HB       LYS  22   3.449  -5.818   1.398
  151   2HB   LYS  22          1HB       LYS  22   5.198  -5.891   1.246
  152   1HG   LYS  22          2HG       LYS  22   5.484  -3.710   1.917
  153   2HG   LYS  22          1HG       LYS  22   3.857  -3.236   1.428
  154   1HD   LYS  22          2HD       LYS  22   3.086  -3.613   3.479
  155   2HD   LYS  22          1HD       LYS  22   3.702  -5.266   3.444
  156   1HE   LYS  22          2HE       LYS  22   5.987  -4.160   3.960
  157   2HE   LYS  22          1HE       LYS  22   5.019  -2.773   4.457
  158   1HZ   LYS  22          1HZ       LYS  22   3.776  -4.736   5.750
  159   2HZ   LYS  22          2HZ       LYS  22   5.043  -3.838   6.420
  160   3HZ   LYS  22          3HZ       LYS  22   5.349  -5.356   5.737
  161    H    PHE  23           H        PHE  23   5.307  -5.516  -2.664
  162    HA   PHE  23           HA       PHE  23   5.250  -7.240  -4.178
  163   1HB   PHE  23          2HB       PHE  23   6.640  -7.928  -1.877
  164   2HB   PHE  23          1HB       PHE  23   5.619  -9.330  -2.183
  165    HD1  PHE  23           1HD      PHE  23   8.780  -8.411  -2.551
  166    HD2  PHE  23           2HD      PHE  23   5.522  -9.560  -5.035
  167    HE1  PHE  23           1HE      PHE  23  10.366  -9.181  -4.266
  168    HE2  PHE  23           2HE      PHE  23   7.102 -10.333  -6.755
  169    HZ   PHE  23           HZ       PHE  23   9.528 -10.145  -6.372
  170    H    ARG  24           H        ARG  24   2.725  -6.635  -3.840
  171    HA   ARG  24           HA       ARG  24   0.554  -7.360  -3.695
  172   1HB   ARG  24          2HB       ARG  24   1.581  -9.931  -4.867
  173   2HB   ARG  24          1HB       ARG  24   0.072  -9.095  -5.204
  174   1HG   ARG  24          2HG       ARG  24   1.441  -7.260  -6.240
  175   2HG   ARG  24          1HG       ARG  24   2.838  -8.329  -6.090
  176   1HD   ARG  24          2HD       ARG  24   0.456  -8.537  -7.862
  177   2HD   ARG  24          1HD       ARG  24   2.158  -8.821  -8.225
  178    HE   ARG  24           HE       ARG  24   1.537 -10.826  -6.512
  179   1HH1  ARG  24          1HH1      ARG  24   0.112  -9.673  -9.472
  180   2HH1  ARG  24          2HH1      ARG  24  -0.476 -11.230  -9.948
  181   1HH2  ARG  24          1HH2      ARG  24   0.765 -12.884  -7.130
  182   2HH2  ARG  24          2HH2      ARG  24  -0.107 -13.055  -8.617
  183    H    ASP  25           H        ASP  25   2.173  -7.946  -1.339
  184    HA   ASP  25           HA       ASP  25   1.862 -10.490  -0.308
  185   1HB   ASP  25          2HB       ASP  25   3.170  -8.999   0.961
  186   2HB   ASP  25          1HB       ASP  25   1.899  -7.782   1.004
  187    H    LYS  26           H        LYS  26  -0.248  -7.786   0.667
  188    HA   LYS  26           HA       LYS  26  -2.653  -9.172   0.065
  189   1HB   LYS  26          2HB       LYS  26  -1.655 -10.299   2.207
  190   2HB   LYS  26          1HB       LYS  26  -2.265  -8.863   3.019
  191   1HG   LYS  26          2HG       LYS  26  -4.169 -10.220   1.230
  192   2HG   LYS  26          1HG       LYS  26  -3.691 -11.115   2.673
  193   1HD   LYS  26          2HD       LYS  26  -4.186  -8.451   3.473
  194   2HD   LYS  26          1HD       LYS  26  -5.526  -8.937   2.432
  195   1HE   LYS  26          2HE       LYS  26  -6.397 -10.099   4.109
  196   2HE   LYS  26          1HE       LYS  26  -4.952 -11.109   4.152
  197   1HZ   LYS  26          1HZ       LYS  26  -5.529  -8.671   5.723
  198   2HZ   LYS  26          2HZ       LYS  26  -3.957  -9.270   5.559
  199   3HZ   LYS  26          3HZ       LYS  26  -5.150 -10.221   6.289
  200    H    TYR  27           H        TYR  27  -1.306  -6.806   2.381
  201    HA   TYR  27           HA       TYR  27  -3.515  -5.002   1.639
  202   1HB   TYR  27          2HB       TYR  27  -3.034  -3.860   3.824
  203   2HB   TYR  27          1HB       TYR  27  -3.643  -5.501   3.967
  204    HD1  TYR  27           1HD      TYR  27  -2.509  -7.025   5.321
  205    HD2  TYR  27           2HD      TYR  27  -0.450  -3.586   3.899
  206    HE1  TYR  27           1HE      TYR  27  -0.574  -7.612   6.722
  207    HE2  TYR  27           2HE      TYR  27   1.491  -4.163   5.292
  208    HH   TYR  27           HH       TYR  27   1.421  -6.948   7.483
  209    H    CYS  28           H        CYS  28  -2.649  -2.631   2.508
  210    HA   CYS  28           HA       CYS  28  -0.259  -2.115   0.863
  211   1HB   CYS  28          2HB       CYS  28  -2.471  -0.147   1.470
  212   2HB   CYS  28          1HB       CYS  28  -1.183   0.024   0.282
  213    H    ALA  29           H        ALA  29   1.417  -1.038   1.736
  214    HA   ALA  29           HA       ALA  29   1.052   0.127   4.418
  215   1HB   ALA  29          1HB       ALA  29   3.253  -0.654   5.054
  216   2HB   ALA  29          2HB       ALA  29   3.489  -1.369   3.459
  217   3HB   ALA  29          3HB       ALA  29   2.259  -2.017   4.543
  218    H    TRP  30           H        TRP  30   2.158   2.040   4.847
  219    HA   TRP  30           HA       TRP  30   2.471   3.864   2.851
  220   1HB   TRP  30          2HB       TRP  30   4.145   3.798   5.361
  221   2HB   TRP  30          1HB       TRP  30   3.830   5.208   4.352
  222    HD1  TRP  30           HD       TRP  30   2.832   3.979   7.461
  223    HE1  TRP  30           1HE      TRP  30   0.454   4.716   8.149
  224    HE3  TRP  30           3HE      TRP  30   1.129   5.415   2.894
  225    HZ2  TRP  30           2HZ      TRP  30  -1.847   5.770   6.881
  226    HZ3  TRP  30           3HZ      TRP  30  -1.170   6.276   2.697
  227    HH2  TRP  30           HH       TRP  30  -2.626   6.448   4.650
  228    H    ASP  31           H        ASP  31   3.647   3.969   1.207
  229    HA   ASP  31           HA       ASP  31   5.216   3.045  -0.327
  230   1HB   ASP  31          2HB       ASP  31   5.718   5.469   0.879
  231   2HB   ASP  31          1HB       ASP  31   7.262   4.634   1.016
  232    H    PHE  32           H        PHE  32   5.075   0.986   1.383
  233    HA   PHE  32           HA       PHE  32   7.850   0.376   2.041
  234   1HB   PHE  32          2HB       PHE  32   5.777   0.378   3.787
  235   2HB   PHE  32          1HB       PHE  32   5.756  -1.302   3.259
  236    HD1  PHE  32           1HD      PHE  32   7.771   1.305   4.894
  237    HD2  PHE  32           2HD      PHE  32   7.454  -2.828   3.927
  238    HE1  PHE  32           1HE      PHE  32   9.610   0.804   6.450
  239    HE2  PHE  32           2HE      PHE  32   9.291  -3.337   5.484
  240    HZ   PHE  32           HZ       PHE  32  10.371  -1.520   6.748
  241    H    THR  33           H        THR  33   8.814  -1.261   1.021
  242    HA   THR  33           HA       THR  33   7.236  -3.421  -0.119
  243    HB   THR  33           HB       THR  33   8.525  -3.170  -2.306
  244    HG1  THR  33           1HG      THR  33   9.803  -1.538  -2.488
  245   1HG2  THR  33          1HG2      THR  33   7.000  -1.596  -3.285
  246   2HG2  THR  33          2HG2      THR  33   6.574  -0.966  -1.694
  247   3HG2  THR  33          3HG2      THR  33   6.137  -2.617  -2.135
  248    H    PHE  34           H        PHE  34   8.225  -5.295   0.217
  249    HA   PHE  34           HA       PHE  34   9.802  -6.845   0.742
  250   1HB   PHE  34          2HB       PHE  34  10.752  -6.028  -1.437
  251   2HB   PHE  34          1HB       PHE  34  11.783  -4.938  -0.514
  252    HD1  PHE  34           1HD      PHE  34  13.419  -6.373  -2.041
  253    HD2  PHE  34           2HD      PHE  34  11.358  -7.820   1.388
  254    HE1  PHE  34           1HE      PHE  34  15.089  -8.165  -1.800
  255    HE2  PHE  34           2HE      PHE  34  13.023  -9.615   1.637
  256    HZ   PHE  34           HZ       PHE  34  14.892  -9.787   0.042
  257    H    SER  35           H        SER  35  11.722  -3.862   1.073
  258    HA   SER  35           HA       SER  35  11.638  -3.896   3.924
  259   1HB   SER  35          2HB       SER  35  13.555  -5.595   2.711
  260   2HB   SER  35          1HB       SER  35  14.434  -4.218   3.375
  261    HG   SER  35           HG       SER  35  12.980  -4.695   5.308
  Start of MODEL   20
    1    HA   GLU   1           HA       GLU   1  -9.313   1.871  -6.759
    2   1HB   GLU   1          2HB       GLU   1 -10.131   3.444  -8.677
    3   2HB   GLU   1          1HB       GLU   1  -8.793   4.468  -8.171
    4   1HG   GLU   1          2HG       GLU   1  -7.199   2.960  -8.850
    5   2HG   GLU   1          1HG       GLU   1  -8.296   1.584  -8.731
    6   1HT   GLU   1          1HT       GLU   1 -11.377   2.882  -6.725
    7   2HT   GLU   1          2HT       GLU   1 -10.707   4.435  -6.435
    8   3HT   GLU   1          3HT       GLU   1 -10.648   3.231  -5.215
    9    H    CYS   2           H        CYS   2  -8.707   2.234  -4.412
   10    HA   CYS   2           HA       CYS   2  -6.071   2.939  -4.158
   11   1HB   CYS   2          2HB       CYS   2  -5.982   5.174  -4.060
   12   2HB   CYS   2          1HB       CYS   2  -7.703   5.265  -4.330
   13    H    ARG   3           H        ARG   3  -5.959   1.243  -2.923
   14    HA   ARG   3           HA       ARG   3  -7.620   0.891  -0.624
   15   1HB   ARG   3          2HB       ARG   3  -5.562  -0.670  -2.062
   16   2HB   ARG   3          1HB       ARG   3  -5.662  -0.966  -0.334
   17   1HG   ARG   3          2HG       ARG   3  -7.345  -1.931  -2.448
   18   2HG   ARG   3          1HG       ARG   3  -7.298  -2.408  -0.753
   19   1HD   ARG   3          2HD       ARG   3  -8.822  -0.642  -0.160
   20   2HD   ARG   3          1HD       ARG   3  -8.767   0.013  -1.794
   21    HE   ARG   3           HE       ARG   3 -10.207  -2.367  -0.908
   22   1HH1  ARG   3          1HH1      ARG   3  -9.197  -0.332  -3.558
   23   2HH1  ARG   3          2HH1      ARG   3 -10.395  -0.943  -4.648
   24   1HH2  ARG   3          1HH2      ARG   3 -11.784  -3.172  -2.342
   25   2HH2  ARG   3          2HH2      ARG   3 -11.863  -2.555  -3.959
   26    H    TYR   4           H        TYR   4  -7.331   2.416   0.777
   27    HA   TYR   4           HA       TYR   4  -4.905   3.616   1.515
   28   1HB   TYR   4          2HB       TYR   4  -7.137   4.582   1.961
   29   2HB   TYR   4          1HB       TYR   4  -7.467   3.304   3.121
   30    HD1  TYR   4           1HD      TYR   4  -5.217   6.187   2.452
   31    HD2  TYR   4           2HD      TYR   4  -6.840   3.542   5.360
   32    HE1  TYR   4           1HE      TYR   4  -4.254   7.573   4.242
   33    HE2  TYR   4           2HE      TYR   4  -5.884   4.919   7.157
   34    HH   TYR   4           HH       TYR   4  -4.206   6.538   7.540
   35    H    LEU   5           H        LEU   5  -4.269   3.460   4.055
   36    HA   LEU   5           HA       LEU   5  -2.777   1.330   4.582
   37   1HB   LEU   5          2HB       LEU   5  -3.754   3.441   6.083
   38   2HB   LEU   5          1HB       LEU   5  -4.234   2.023   6.996
   39    HG   LEU   5           HG       LEU   5  -1.513   3.094   6.451
   40   1HD1  LEU   5          1HD1      LEU   5  -1.857   3.490   8.624
   41   2HD1  LEU   5          2HD1      LEU   5  -1.529   1.771   8.846
   42   3HD1  LEU   5          3HD1      LEU   5  -3.192   2.343   8.718
   43   1HD2  LEU   5          1HD2      LEU   5  -0.894   1.085   5.615
   44   2HD2  LEU   5          2HD2      LEU   5  -2.258   0.235   6.341
   45   3HD2  LEU   5          3HD2      LEU   5  -0.854   0.650   7.323
   46    H    PHE   6           H        PHE   6  -2.965  -0.782   4.870
   47    HA   PHE   6           HA       PHE   6  -3.807  -2.829   5.405
   48   1HB   PHE   6          2HB       PHE   6  -6.119  -1.348   6.661
   49   2HB   PHE   6          1HB       PHE   6  -5.658  -3.021   6.952
   50    HD1  PHE   6           1HD      PHE   6  -5.496   0.213   8.212
   51    HD2  PHE   6           2HD      PHE   6  -3.130  -3.297   7.756
   52    HE1  PHE   6           1HE      PHE   6  -4.062   0.943  10.074
   53    HE2  PHE   6           2HE      PHE   6  -1.693  -2.573   9.620
   54    HZ   PHE   6           HZ       PHE   6  -2.159  -0.451  10.780
   55    H    GLY   7           H        GLY   7  -4.658  -1.196   2.981
   56   1HA   GLY   7          2HA       GLY   7  -7.272  -2.345   2.394
   57   2HA   GLY   7          1HA       GLY   7  -6.376  -1.226   1.380
   58    H    GLY   8           H        GLY   8  -7.584  -4.194   1.333
   59   1HA   GLY   8          2HA       GLY   8  -5.512  -5.919   0.608
   60   2HA   GLY   8          1HA       GLY   8  -7.173  -6.055   0.048
   61    H    CYS   9           H        CYS   9  -4.018  -5.619  -0.924
   62    HA   CYS   9           HA       CYS   9  -4.914  -4.519  -3.510
   63   1HB   CYS   9          2HB       CYS   9  -2.643  -3.506  -3.735
   64   2HB   CYS   9          1HB       CYS   9  -3.603  -2.818  -2.430
   65    H    LYS  10           H        LYS  10  -4.288  -5.560  -5.321
   66    HA   LYS  10           HA       LYS  10  -2.975  -8.124  -4.999
   67   1HB   LYS  10          2HB       LYS  10  -5.036  -7.588  -6.497
   68   2HB   LYS  10          1HB       LYS  10  -3.841  -6.982  -7.636
   69   1HG   LYS  10          2HG       LYS  10  -3.143  -9.039  -8.201
   70   2HG   LYS  10          1HG       LYS  10  -3.286  -9.654  -6.552
   71   1HD   LYS  10          2HD       LYS  10  -5.894  -9.267  -7.182
   72   2HD   LYS  10          1HD       LYS  10  -5.229  -9.686  -8.762
   73   1HE   LYS  10          2HE       LYS  10  -5.693 -11.780  -8.000
   74   2HE   LYS  10          1HE       LYS  10  -4.065 -11.600  -7.345
   75   1HZ   LYS  10          1HZ       LYS  10  -5.639 -10.536  -5.410
   76   2HZ   LYS  10          2HZ       LYS  10  -5.007 -12.106  -5.405
   77   3HZ   LYS  10          3HZ       LYS  10  -6.576 -11.829  -5.971
   78    H    THR  11           H        THR  11  -2.260  -4.951  -5.998
   79    HA   THR  11           HA       THR  11   0.520  -5.662  -6.424
   80    HB   THR  11           HB       THR  11   0.497  -5.482  -8.646
   81    HG1  THR  11           1HG      THR  11   0.090  -3.397  -9.548
   82   1HG2  THR  11          1HG2      THR  11  -1.430  -5.160  -9.971
   83   2HG2  THR  11          2HG2      THR  11  -2.276  -4.341  -8.657
   84   3HG2  THR  11          3HG2      THR  11  -1.937  -6.068  -8.547
   85    H    THR  12           H        THR  12   1.680  -3.459  -7.065
   86    HA   THR  12           HA       THR  12   1.310  -1.760  -4.805
   87    HB   THR  12           HB       THR  12   3.097  -1.675  -7.218
   88    HG1  THR  12           1HG      THR  12   4.098  -2.876  -5.795
   89   1HG2  THR  12          1HG2      THR  12   4.203   0.272  -6.370
   90   2HG2  THR  12          2HG2      THR  12   3.065   0.375  -5.025
   91   3HG2  THR  12          3HG2      THR  12   2.507   0.646  -6.676
   92    H    SER  13           H        SER  13   0.273  -1.711  -8.108
   93    HA   SER  13           HA       SER  13  -0.552   1.037  -8.041
   94   1HB   SER  13          2HB       SER  13  -1.210  -1.033 -10.136
   95   2HB   SER  13          1HB       SER  13  -1.263   0.720 -10.313
   96    HG   SER  13           HG       SER  13   1.052  -0.863  -9.874
   97    H    ASP  14           H        ASP  14  -1.713  -1.257  -6.314
   98    HA   ASP  14           HA       ASP  14  -4.542  -0.852  -7.002
   99   1HB   ASP  14          2HB       ASP  14  -3.040  -3.095  -5.735
  100   2HB   ASP  14          1HB       ASP  14  -4.705  -2.831  -5.231
  101    H    CYS  15           H        CYS  15  -2.316   0.530  -5.105
  102    HA   CYS  15           HA       CYS  15  -4.230   0.965  -2.909
  103   1HB   CYS  15          2HB       CYS  15  -1.228   1.230  -2.699
  104   2HB   CYS  15          1HB       CYS  15  -2.398   1.302  -1.387
  105    H    CYS  16           H        CYS  16  -3.933   3.020  -1.774
  106    HA   CYS  16           HA       CYS  16  -4.392   5.171  -3.428
  107   1HB   CYS  16          2HB       CYS  16  -3.470   5.263  -0.570
  108   2HB   CYS  16          1HB       CYS  16  -4.349   6.524  -1.433
  109    H    LYS  17           H        LYS  17  -2.688   7.049  -1.869
  110    HA   LYS  17           HA       LYS  17  -0.561   7.129  -3.845
  111   1HB   LYS  17          2HB       LYS  17  -2.161   9.063  -2.671
  112   2HB   LYS  17          1HB       LYS  17  -0.595   9.301  -1.907
  113   1HG   LYS  17          2HG       LYS  17   0.446   9.824  -3.912
  114   2HG   LYS  17          1HG       LYS  17  -0.816   9.059  -4.881
  115   1HD   LYS  17          2HD       LYS  17  -2.282  10.839  -4.605
  116   2HD   LYS  17          1HD       LYS  17  -1.460  11.420  -3.156
  117   1HE   LYS  17          2HE       LYS  17  -0.169  12.772  -4.357
  118   2HE   LYS  17          1HE       LYS  17   0.334  11.444  -5.403
  119   1HZ   LYS  17          1HZ       LYS  17  -2.337  12.346  -5.934
  120   2HZ   LYS  17          2HZ       LYS  17  -1.048  12.105  -7.002
  121   3HZ   LYS  17          3HZ       LYS  17  -1.183  13.563  -6.155
  122    H    HIS  18           H        HIS  18  -0.582   8.015  -0.423
  123    HA   HIS  18           HA       HIS  18   2.137   7.646  -0.066
  124   1HB   HIS  18          2HB       HIS  18  -0.145   7.727   1.884
  125   2HB   HIS  18          1HB       HIS  18   1.529   7.583   2.411
  126    HD1  HIS  18           1HD      HIS  18   0.665   9.959   3.574
  127    HD2  HIS  18           2HD      HIS  18   1.502   9.958  -0.496
  128    HE1  HIS  18           1HE      HIS  18   1.002  12.374   2.956
  129    HE2  HIS  18           2HE      HIS  18   1.571  12.344   0.503
  130    H    LEU  19           H        LEU  19  -0.227   5.323  -0.444
  131    HA   LEU  19           HA       LEU  19   1.216   3.331   1.135
  132   1HB   LEU  19          2HB       LEU  19  -1.496   3.335  -0.156
  133   2HB   LEU  19          1HB       LEU  19  -0.790   1.897   0.560
  134    HG   LEU  19           HG       LEU  19  -0.616   4.041   2.437
  135   1HD1  LEU  19          1HD1      LEU  19  -3.363   3.795   2.514
  136   2HD1  LEU  19          2HD1      LEU  19  -3.007   4.072   0.812
  137   3HD1  LEU  19          3HD1      LEU  19  -2.450   5.220   2.028
  138   1HD2  LEU  19          1HD2      LEU  19  -0.762   1.455   2.646
  139   2HD2  LEU  19          2HD2      LEU  19  -2.502   1.742   2.659
  140   3HD2  LEU  19          3HD2      LEU  19  -1.476   2.480   3.890
  141    H    GLY  20           H        GLY  20   2.082   1.515   0.350
  142   1HA   GLY  20          2HA       GLY  20   2.077   1.101  -2.567
  143   2HA   GLY  20          1HA       GLY  20   3.586   1.079  -1.658
  144    H    CYS  21           H        CYS  21   1.677  -0.967  -3.143
  145    HA   CYS  21           HA       CYS  21   1.039  -2.863  -1.143
  146   1HB   CYS  21          2HB       CYS  21   0.103  -2.574  -3.558
  147   2HB   CYS  21          1HB       CYS  21   1.434  -3.634  -4.006
  148    H    LYS  22           H        LYS  22   2.310  -4.251  -0.124
  149    HA   LYS  22           HA       LYS  22   4.982  -4.777  -1.241
  150   1HB   LYS  22          2HB       LYS  22   4.064  -4.046   1.387
  151   2HB   LYS  22          1HB       LYS  22   4.901  -5.590   1.454
  152   1HG   LYS  22          2HG       LYS  22   6.706  -4.271   1.700
  153   2HG   LYS  22          1HG       LYS  22   6.629  -4.214  -0.063
  154   1HD   LYS  22          2HD       LYS  22   5.727  -2.083  -0.082
  155   2HD   LYS  22          1HD       LYS  22   5.098  -2.224   1.561
  156   1HE   LYS  22          2HE       LYS  22   8.045  -2.315   1.131
  157   2HE   LYS  22          1HE       LYS  22   7.219  -0.760   1.038
  158   1HZ   LYS  22          1HZ       LYS  22   8.133  -1.793   3.303
  159   2HZ   LYS  22          2HZ       LYS  22   6.562  -2.422   3.329
  160   3HZ   LYS  22          3HZ       LYS  22   6.800  -0.751   3.237
  161    H    PHE  23           H        PHE  23   5.920  -6.921  -0.585
  162    HA   PHE  23           HA       PHE  23   4.033  -8.991  -1.241
  163   1HB   PHE  23          2HB       PHE  23   7.018  -8.820  -1.099
  164   2HB   PHE  23          1HB       PHE  23   6.235 -10.397  -1.116
  165    HD1  PHE  23           1HD      PHE  23   7.573  -7.828  -3.094
  166    HD2  PHE  23           2HD      PHE  23   4.471 -10.741  -3.025
  167    HE1  PHE  23           1HE      PHE  23   7.411  -7.708  -5.546
  168    HE2  PHE  23           2HE      PHE  23   4.303 -10.626  -5.477
  169    HZ   PHE  23           HZ       PHE  23   5.775  -9.108  -6.741
  170    H    ARG  24           H        ARG  24   3.985 -11.030  -0.039
  171    HA   ARG  24           HA       ARG  24   3.663 -12.238   1.859
  172   1HB   ARG  24          2HB       ARG  24   5.940 -10.500   2.811
  173   2HB   ARG  24          1HB       ARG  24   5.275 -11.829   3.750
  174   1HG   ARG  24          2HG       ARG  24   5.896 -12.727   1.101
  175   2HG   ARG  24          1HG       ARG  24   7.298 -11.933   1.819
  176   1HD   ARG  24          2HD       ARG  24   7.659 -13.644   3.197
  177   2HD   ARG  24          1HD       ARG  24   5.977 -13.659   3.723
  178    HE   ARG  24           HE       ARG  24   6.372 -14.829   1.132
  179   1HH1  ARG  24          1HH1      ARG  24   6.447 -15.405   4.565
  180   2HH1  ARG  24          2HH1      ARG  24   6.182 -17.110   4.417
  181   1HH2  ARG  24          1HH2      ARG  24   6.030 -17.072   0.922
  182   2HH2  ARG  24          2HH2      ARG  24   5.947 -18.060   2.341
  183    H    ASP  25           H        ASP  25   1.692 -10.609   1.609
  184    HA   ASP  25           HA       ASP  25   0.681 -10.138   4.145
  185   1HB   ASP  25          2HB       ASP  25   0.638  -7.476   3.720
  186   2HB   ASP  25          1HB       ASP  25   1.863  -8.273   4.699
  187    H    LYS  26           H        LYS  26   0.662  -8.368   1.053
  188    HA   LYS  26           HA       LYS  26  -0.956  -8.375  -0.595
  189   1HB   LYS  26          2HB       LYS  26  -2.890  -9.613   1.355
  190   2HB   LYS  26          1HB       LYS  26  -2.995  -9.575  -0.399
  191   1HG   LYS  26          2HG       LYS  26  -0.570 -10.851   0.221
  192   2HG   LYS  26          1HG       LYS  26  -1.792 -11.531   1.297
  193   1HD   LYS  26          2HD       LYS  26  -2.697 -12.693  -0.373
  194   2HD   LYS  26          1HD       LYS  26  -2.838 -11.245  -1.371
  195   1HE   LYS  26          2HE       LYS  26  -1.472 -12.937  -2.472
  196   2HE   LYS  26          1HE       LYS  26  -0.516 -11.508  -2.085
  197   1HZ   LYS  26          1HZ       LYS  26   0.080 -14.100  -1.432
  198   2HZ   LYS  26          2HZ       LYS  26  -0.451 -13.422   0.024
  199   3HZ   LYS  26          3HZ       LYS  26   0.832 -12.713  -0.819
  200    H    TYR  27           H        TYR  27  -0.777  -6.754   2.207
  201    HA   TYR  27           HA       TYR  27  -3.213  -5.182   1.740
  202   1HB   TYR  27          2HB       TYR  27  -2.549  -4.071   3.939
  203   2HB   TYR  27          1HB       TYR  27  -3.085  -5.742   4.025
  204    HD1  TYR  27           1HD      TYR  27  -1.942  -6.903   5.664
  205    HD2  TYR  27           2HD      TYR  27   0.192  -4.089   3.291
  206    HE1  TYR  27           1HE      TYR  27   0.135  -7.492   6.842
  207    HE2  TYR  27           2HE      TYR  27   2.274  -4.671   4.461
  208    HH   TYR  27           HH       TYR  27   2.461  -6.102   7.279
  209    H    CYS  28           H        CYS  28  -2.649  -2.750   2.580
  210    HA   CYS  28           HA       CYS  28  -0.515  -1.856   0.762
  211   1HB   CYS  28          2HB       CYS  28  -2.968  -0.348   1.691
  212   2HB   CYS  28          1HB       CYS  28  -1.744   0.266   0.586
  213    H    ALA  29           H        ALA  29   1.242  -1.076   1.677
  214    HA   ALA  29           HA       ALA  29   1.007   0.164   4.343
  215   1HB   ALA  29          1HB       ALA  29   3.045  -0.761   5.011
  216   2HB   ALA  29          2HB       ALA  29   3.496  -1.188   3.361
  217   3HB   ALA  29          3HB       ALA  29   2.218  -2.082   4.184
  218    H    TRP  30           H        TRP  30   2.044   2.070   4.688
  219    HA   TRP  30           HA       TRP  30   2.340   3.961   2.827
  220   1HB   TRP  30          2HB       TRP  30   4.230   3.590   5.161
  221   2HB   TRP  30          1HB       TRP  30   3.992   5.091   4.272
  222    HD1  TRP  30           HD       TRP  30   3.132   3.915   7.450
  223    HE1  TRP  30           1HE      TRP  30   0.862   4.782   8.298
  224    HE3  TRP  30           3HE      TRP  30   1.152   5.474   3.005
  225    HZ2  TRP  30           2HZ      TRP  30  -1.460   5.970   7.222
  226    HZ3  TRP  30           3HZ      TRP  30  -1.101   6.464   3.001
  227    HH2  TRP  30           HH       TRP  30  -2.380   6.705   5.067
  228    H    ASP  31           H        ASP  31   4.106   4.896   1.643
  229    HA   ASP  31           HA       ASP  31   5.648   2.954   0.265
  230   1HB   ASP  31          2HB       ASP  31   5.724   5.967   0.060
  231   2HB   ASP  31          1HB       ASP  31   6.462   4.842  -1.077
  232    H    PHE  32           H        PHE  32   6.445   2.690   2.783
  233    HA   PHE  32           HA       PHE  32   8.349   4.093   4.010
  234   1HB   PHE  32          2HB       PHE  32   7.649   1.918   4.812
  235   2HB   PHE  32          1HB       PHE  32   8.424   1.126   3.445
  236    HD1  PHE  32           1HD      PHE  32   9.810  -0.303   4.762
  237    HD2  PHE  32           2HD      PHE  32   9.961   3.920   5.267
  238    HE1  PHE  32           1HE      PHE  32  11.878  -0.538   6.074
  239    HE2  PHE  32           2HE      PHE  32  12.029   3.693   6.579
  240    HZ   PHE  32           HZ       PHE  32  12.992   1.461   6.985
  241    H    THR  33           H        THR  33  10.258   4.962   3.558
  242    HA   THR  33           HA       THR  33  11.413   5.074   1.080
  243    HB   THR  33           HB       THR  33  13.275   6.092   2.082
  244    HG1  THR  33           1HG      THR  33  13.985   5.610   4.142
  245   1HG2  THR  33          1HG2      THR  33  11.830   6.678   4.494
  246   2HG2  THR  33          2HG2      THR  33  10.765   6.736   3.090
  247   3HG2  THR  33          3HG2      THR  33  12.224   7.727   3.133
  248    H    PHE  34           H        PHE  34  13.171   4.061   0.061
  249    HA   PHE  34           HA       PHE  34  14.004   1.480   1.196
  250   1HB   PHE  34          2HB       PHE  34  12.175   1.503  -0.732
  251   2HB   PHE  34          1HB       PHE  34  13.597   1.682  -1.752
  252    HD1  PHE  34           1HD      PHE  34  12.089  -0.469   0.864
  253    HD2  PHE  34           2HD      PHE  34  14.892  -0.170  -2.323
  254    HE1  PHE  34           1HE      PHE  34  12.456  -2.900   0.965
  255    HE2  PHE  34           2HE      PHE  34  15.265  -2.600  -2.229
  256    HZ   PHE  34           HZ       PHE  34  14.045  -3.969  -0.584
  257    H    SER  35           H        SER  35  15.275   4.166   0.956
  258    HA   SER  35           HA       SER  35  17.402   4.933   0.656
  259   1HB   SER  35          2HB       SER  35  18.337   2.427  -0.660
  260   2HB   SER  35          1HB       SER  35  19.142   3.433   0.545
  261    HG   SER  35           HG       SER  35  18.536   1.643   1.634
  Start of MODEL   21
    1    HA   GLU   1           HA       GLU   1 -10.272   2.997  -6.312
    2   1HB   GLU   1          2HB       GLU   1  -8.466   1.472  -8.108
    3   2HB   GLU   1          1HB       GLU   1  -8.415   1.043  -6.404
    4   1HG   GLU   1          2HG       GLU   1 -11.059   1.062  -6.749
    5   2HG   GLU   1          1HG       GLU   1 -10.565   0.672  -8.395
    6   1HT   GLU   1          1HT       GLU   1 -10.377   3.866  -8.305
    7   2HT   GLU   1          2HT       GLU   1  -8.859   3.228  -8.792
    8   3HT   GLU   1          3HT       GLU   1  -8.928   4.667  -7.860
    9    H    CYS   2           H        CYS   2  -8.654   2.052  -4.518
   10    HA   CYS   2           HA       CYS   2  -6.116   2.916  -4.092
   11   1HB   CYS   2          2HB       CYS   2  -6.158   5.152  -3.995
   12   2HB   CYS   2          1HB       CYS   2  -7.890   5.168  -4.205
   13    H    ARG   3           H        ARG   3  -5.795   1.393  -2.768
   14    HA   ARG   3           HA       ARG   3  -7.529   0.884  -0.522
   15   1HB   ARG   3          2HB       ARG   3  -5.456  -0.601  -2.013
   16   2HB   ARG   3          1HB       ARG   3  -5.492  -0.909  -0.283
   17   1HG   ARG   3          2HG       ARG   3  -7.135  -2.008  -2.309
   18   2HG   ARG   3          1HG       ARG   3  -7.161  -2.338  -0.579
   19   1HD   ARG   3          2HD       ARG   3  -8.777  -0.649  -0.188
   20   2HD   ARG   3          1HD       ARG   3  -8.567   0.024  -1.802
   21    HE   ARG   3           HE       ARG   3  -9.527  -2.712  -1.709
   22   1HH1  ARG   3          1HH1      ARG   3 -10.346   0.668  -1.872
   23   2HH1  ARG   3          2HH1      ARG   3 -11.916   0.390  -2.549
   24   1HH2  ARG   3          1HH2      ARG   3 -11.589  -3.093  -2.604
   25   2HH2  ARG   3          2HH2      ARG   3 -12.623  -1.752  -2.966
   26    H    TYR   4           H        TYR   4  -7.272   2.382   0.907
   27    HA   TYR   4           HA       TYR   4  -4.960   3.747   1.631
   28   1HB   TYR   4          2HB       TYR   4  -7.492   4.017   2.346
   29   2HB   TYR   4          1HB       TYR   4  -6.993   3.041   3.721
   30    HD1  TYR   4           1HD      TYR   4  -6.978   4.484   5.538
   31    HD2  TYR   4           2HD      TYR   4  -5.149   5.726   1.902
   32    HE1  TYR   4           1HE      TYR   4  -6.126   6.496   6.663
   33    HE2  TYR   4           2HE      TYR   4  -4.291   7.743   3.019
   34    HH   TYR   4           HH       TYR   4  -5.411   8.853   5.924
   35    H    LEU   5           H        LEU   5  -4.661   3.349   4.399
   36    HA   LEU   5           HA       LEU   5  -2.753   1.288   4.462
   37   1HB   LEU   5          2HB       LEU   5  -3.246   3.411   6.033
   38   2HB   LEU   5          1HB       LEU   5  -3.948   2.148   7.029
   39    HG   LEU   5           HG       LEU   5  -1.812   2.176   7.854
   40   1HD1  LEU   5          1HD1      LEU   5  -0.843   0.176   7.307
   41   2HD1  LEU   5          2HD1      LEU   5  -1.085   0.405   5.575
   42   3HD1  LEU   5          3HD1      LEU   5  -2.446  -0.044   6.604
   43   1HD2  LEU   5          1HD2      LEU   5  -0.159   3.318   6.909
   44   2HD2  LEU   5          2HD2      LEU   5  -1.256   3.656   5.569
   45   3HD2  LEU   5          3HD2      LEU   5  -0.162   2.276   5.488
   46    H    PHE   6           H        PHE   6  -2.970  -0.817   4.645
   47    HA   PHE   6           HA       PHE   6  -3.721  -2.857   5.353
   48   1HB   PHE   6          2HB       PHE   6  -4.953  -1.092   7.210
   49   2HB   PHE   6          1HB       PHE   6  -6.169  -2.255   6.694
   50    HD1  PHE   6           1HD      PHE   6  -6.388  -4.048   8.100
   51    HD2  PHE   6           2HD      PHE   6  -2.529  -2.349   7.523
   52    HE1  PHE   6           1HE      PHE   6  -5.427  -5.716   9.634
   53    HE2  PHE   6           2HE      PHE   6  -1.561  -4.013   9.055
   54    HZ   PHE   6           HZ       PHE   6  -3.011  -5.698  10.113
   55    H    GLY   7           H        GLY   7  -4.598  -1.339   2.957
   56   1HA   GLY   7          2HA       GLY   7  -7.276  -2.426   2.486
   57   2HA   GLY   7          1HA       GLY   7  -6.428  -1.282   1.457
   58    H    GLY   8           H        GLY   8  -7.626  -4.246   1.400
   59   1HA   GLY   8          2HA       GLY   8  -5.631  -5.994   0.587
   60   2HA   GLY   8          1HA       GLY   8  -7.296  -6.058   0.030
   61    H    CYS   9           H        CYS   9  -4.137  -5.736  -0.946
   62    HA   CYS   9           HA       CYS   9  -4.989  -4.533  -3.503
   63   1HB   CYS   9          2HB       CYS   9  -2.590  -3.717  -3.700
   64   2HB   CYS   9          1HB       CYS   9  -3.597  -2.894  -2.516
   65    H    LYS  10           H        LYS  10  -4.144  -5.380  -5.384
   66    HA   LYS  10           HA       LYS  10  -3.078  -8.085  -5.144
   67   1HB   LYS  10          2HB       LYS  10  -5.033  -7.079  -6.747
   68   2HB   LYS  10          1HB       LYS  10  -3.644  -6.983  -7.821
   69   1HG   LYS  10          2HG       LYS  10  -3.739  -9.540  -6.498
   70   2HG   LYS  10          1HG       LYS  10  -5.253  -9.197  -7.339
   71   1HD   LYS  10          2HD       LYS  10  -4.055 -10.138  -9.048
   72   2HD   LYS  10          1HD       LYS  10  -3.616  -8.442  -9.262
   73   1HE   LYS  10          2HE       LYS  10  -1.805  -9.489  -7.390
   74   2HE   LYS  10          1HE       LYS  10  -1.939 -10.696  -8.667
   75   1HZ   LYS  10          1HZ       LYS  10  -0.574  -8.231  -8.706
   76   2HZ   LYS  10          2HZ       LYS  10  -1.765  -8.219  -9.908
   77   3HZ   LYS  10          3HZ       LYS  10  -0.600  -9.445  -9.885
   78    H    THR  11           H        THR  11  -2.256  -4.917  -6.139
   79    HA   THR  11           HA       THR  11   0.517  -5.724  -6.528
   80    HB   THR  11           HB       THR  11   0.464  -5.436  -8.744
   81    HG1  THR  11           1HG      THR  11   0.991  -3.476  -9.176
   82   1HG2  THR  11          1HG2      THR  11  -1.500  -4.522  -9.966
   83   2HG2  THR  11          2HG2      THR  11  -2.291  -4.290  -8.405
   84   3HG2  THR  11          3HG2      THR  11  -1.860  -5.913  -8.945
   85    H    THR  12           H        THR  12   1.761  -3.536  -7.044
   86    HA   THR  12           HA       THR  12   1.467  -1.981  -4.675
   87    HB   THR  12           HB       THR  12   3.244  -1.778  -7.089
   88    HG1  THR  12           1HG      THR  12   4.633  -2.706  -5.808
   89   1HG2  THR  12          1HG2      THR  12   3.408   0.054  -4.721
   90   2HG2  THR  12          2HG2      THR  12   2.692   0.515  -6.266
   91   3HG2  THR  12          3HG2      THR  12   4.398   0.071  -6.180
   92    H    SER  13           H        SER  13   0.491  -1.612  -7.997
   93    HA   SER  13           HA       SER  13  -0.219   1.146  -7.718
   94   1HB   SER  13          2HB       SER  13   0.562   0.136  -9.873
   95   2HB   SER  13          1HB       SER  13  -0.965  -0.742  -9.953
   96    HG   SER  13           HG       SER  13  -0.470   1.722 -10.759
   97    H    ASP  14           H        ASP  14  -1.587  -1.542  -6.507
   98    HA   ASP  14           HA       ASP  14  -4.357  -0.854  -7.090
   99   1HB   ASP  14          2HB       ASP  14  -2.984  -3.153  -5.758
  100   2HB   ASP  14          1HB       ASP  14  -4.679  -2.848  -5.398
  101    H    CYS  15           H        CYS  15  -2.279   0.628  -5.235
  102    HA   CYS  15           HA       CYS  15  -4.170   0.920  -3.003
  103   1HB   CYS  15          2HB       CYS  15  -1.188   1.336  -2.814
  104   2HB   CYS  15          1HB       CYS  15  -2.349   1.321  -1.489
  105    H    CYS  16           H        CYS  16  -3.946   2.976  -1.837
  106    HA   CYS  16           HA       CYS  16  -4.538   5.131  -3.438
  107   1HB   CYS  16          2HB       CYS  16  -3.538   5.213  -0.606
  108   2HB   CYS  16          1HB       CYS  16  -4.497   6.449  -1.418
  109    H    LYS  17           H        LYS  17  -2.857   7.049  -1.883
  110    HA   LYS  17           HA       LYS  17  -0.799   7.241  -3.917
  111   1HB   LYS  17          2HB       LYS  17  -2.272   9.091  -2.229
  112   2HB   LYS  17          1HB       LYS  17  -0.550   9.442  -2.248
  113   1HG   LYS  17          2HG       LYS  17  -2.306   9.174  -4.678
  114   2HG   LYS  17          1HG       LYS  17  -1.758  10.690  -3.960
  115   1HD   LYS  17          2HD       LYS  17  -0.075   8.550  -5.250
  116   2HD   LYS  17          1HD       LYS  17  -0.328  10.206  -5.810
  117   1HE   LYS  17          2HE       LYS  17   0.625  10.666  -3.327
  118   2HE   LYS  17          1HE       LYS  17   1.457   9.160  -3.712
  119   1HZ   LYS  17          1HZ       LYS  17   2.182  10.244  -5.815
  120   2HZ   LYS  17          2HZ       LYS  17   2.823  10.947  -4.417
  121   3HZ   LYS  17          3HZ       LYS  17   1.550  11.702  -5.234
  122    H    HIS  18           H        HIS  18  -0.724   8.077  -0.490
  123    HA   HIS  18           HA       HIS  18   2.023   7.765  -0.270
  124   1HB   HIS  18          2HB       HIS  18  -0.086   7.767   1.876
  125   2HB   HIS  18          1HB       HIS  18   1.643   7.923   2.177
  126    HD1  HIS  18           1HD      HIS  18  -0.389  10.150   2.966
  127    HD2  HIS  18           2HD      HIS  18   1.823  10.084  -0.552
  128    HE1  HIS  18           1HE      HIS  18  -0.270  12.543   2.200
  129    HE2  HIS  18           2HE      HIS  18   0.981  12.462   0.015
  130    H    LEU  19           H        LEU  19  -0.307   5.390  -0.494
  131    HA   LEU  19           HA       LEU  19   1.221   3.469   1.093
  132   1HB   LEU  19          2HB       LEU  19  -1.498   3.371  -0.172
  133   2HB   LEU  19          1HB       LEU  19  -0.708   1.923   0.422
  134    HG   LEU  19           HG       LEU  19  -0.594   3.943   2.446
  135   1HD1  LEU  19          1HD1      LEU  19  -3.188   3.648   1.036
  136   2HD1  LEU  19          2HD1      LEU  19  -2.498   5.042   1.870
  137   3HD1  LEU  19          3HD1      LEU  19  -3.203   3.721   2.797
  138   1HD2  LEU  19          1HD2      LEU  19  -2.346   1.564   2.660
  139   2HD2  LEU  19          2HD2      LEU  19  -1.161   2.207   3.796
  140   3HD2  LEU  19          3HD2      LEU  19  -0.626   1.296   2.384
  141    H    GLY  20           H        GLY  20   1.646   1.346   0.255
  142   1HA   GLY  20          2HA       GLY  20   1.851   1.022  -2.624
  143   2HA   GLY  20          1HA       GLY  20   3.379   1.125  -1.757
  144    H    CYS  21           H        CYS  21   1.436  -1.043  -3.097
  145    HA   CYS  21           HA       CYS  21   1.112  -2.960  -1.040
  146   1HB   CYS  21          2HB       CYS  21  -0.083  -2.715  -3.354
  147   2HB   CYS  21          1HB       CYS  21   1.225  -3.749  -3.922
  148    H    LYS  22           H        LYS  22   2.443  -4.502  -0.297
  149    HA   LYS  22           HA       LYS  22   5.144  -4.582  -1.408
  150   1HB   LYS  22          2HB       LYS  22   5.251  -4.216   0.887
  151   2HB   LYS  22          1HB       LYS  22   3.917  -5.306   1.226
  152   1HG   LYS  22          2HG       LYS  22   5.905  -6.926   0.130
  153   2HG   LYS  22          1HG       LYS  22   6.747  -5.815   1.211
  154   1HD   LYS  22          2HD       LYS  22   4.592  -6.466   2.716
  155   2HD   LYS  22          1HD       LYS  22   4.841  -7.965   1.819
  156   1HE   LYS  22          2HE       LYS  22   7.392  -7.201   2.597
  157   2HE   LYS  22          1HE       LYS  22   6.382  -6.831   3.995
  158   1HZ   LYS  22          1HZ       LYS  22   6.714  -8.984   4.459
  159   2HZ   LYS  22          2HZ       LYS  22   7.107  -9.396   2.867
  160   3HZ   LYS  22          3HZ       LYS  22   5.486  -9.256   3.328
  161    H    PHE  23           H        PHE  23   5.408  -6.012  -2.974
  162    HA   PHE  23           HA       PHE  23   5.011  -7.867  -4.291
  163   1HB   PHE  23          2HB       PHE  23   6.179  -8.722  -1.682
  164   2HB   PHE  23          1HB       PHE  23   5.744  -9.960  -2.856
  165    HD1  PHE  23           1HD      PHE  23   7.775  -6.904  -2.382
  166    HD2  PHE  23           2HD      PHE  23   7.131 -10.422  -4.685
  167    HE1  PHE  23           1HE      PHE  23   9.896  -6.511  -3.567
  168    HE2  PHE  23           2HE      PHE  23   9.251 -10.036  -5.876
  169    HZ   PHE  23           HZ       PHE  23  10.636  -8.077  -5.316
  170    H    ARG  24           H        ARG  24   2.579  -7.277  -3.975
  171    HA   ARG  24           HA       ARG  24   0.421  -7.906  -3.424
  172   1HB   ARG  24          2HB       ARG  24   1.132  -9.167  -5.484
  173   2HB   ARG  24          1HB       ARG  24   1.486 -10.542  -4.445
  174   1HG   ARG  24          2HG       ARG  24  -0.994 -10.186  -3.665
  175   2HG   ARG  24          1HG       ARG  24  -1.137  -9.378  -5.228
  176   1HD   ARG  24          2HD       ARG  24  -0.270 -12.216  -4.706
  177   2HD   ARG  24          1HD       ARG  24  -1.748 -11.680  -5.502
  178    HE   ARG  24           HE       ARG  24   0.068 -10.637  -7.120
  179   1HH1  ARG  24          1HH1      ARG  24  -0.075 -13.801  -5.669
  180   2HH1  ARG  24          2HH1      ARG  24   0.791 -14.572  -6.953
  181   1HH2  ARG  24          1HH2      ARG  24   1.210 -11.643  -8.817
  182   2HH2  ARG  24          2HH2      ARG  24   1.522 -13.345  -8.745
  183    H    ASP  25           H        ASP  25   2.062  -8.069  -1.124
  184    HA   ASP  25           HA       ASP  25   1.996 -10.482   0.251
  185   1HB   ASP  25          2HB       ASP  25   2.026  -9.049   2.325
  186   2HB   ASP  25          1HB       ASP  25   3.275  -8.678   1.142
  187    H    LYS  26           H        LYS  26  -0.402  -7.839   0.339
  188    HA   LYS  26           HA       LYS  26  -2.687  -9.301   0.240
  189   1HB   LYS  26          2HB       LYS  26  -1.322  -9.783   2.731
  190   2HB   LYS  26          1HB       LYS  26  -2.884  -9.034   3.032
  191   1HG   LYS  26          2HG       LYS  26  -3.865 -10.808   1.510
  192   2HG   LYS  26          1HG       LYS  26  -2.301 -11.619   1.625
  193   1HD   LYS  26          2HD       LYS  26  -2.802 -12.435   3.636
  194   2HD   LYS  26          1HD       LYS  26  -3.244 -10.837   4.234
  195   1HE   LYS  26          2HE       LYS  26  -5.406 -11.317   2.765
  196   2HE   LYS  26          1HE       LYS  26  -4.949 -12.985   3.101
  197   1HZ   LYS  26          1HZ       LYS  26  -4.753 -11.990   5.529
  198   2HZ   LYS  26          2HZ       LYS  26  -6.213 -12.587   4.918
  199   3HZ   LYS  26          3HZ       LYS  26  -5.916 -10.922   4.920
  200    H    TYR  27           H        TYR  27  -1.204  -6.802   2.298
  201    HA   TYR  27           HA       TYR  27  -3.537  -5.097   1.718
  202   1HB   TYR  27          2HB       TYR  27  -2.976  -3.930   3.877
  203   2HB   TYR  27          1HB       TYR  27  -3.565  -5.577   4.048
  204    HD1  TYR  27           1HD      TYR  27  -2.249  -7.234   5.115
  205    HD2  TYR  27           2HD      TYR  27  -0.507  -3.491   4.084
  206    HE1  TYR  27           1HE      TYR  27  -0.249  -7.806   6.428
  207    HE2  TYR  27           2HE      TYR  27   1.497  -4.054   5.395
  208    HH   TYR  27           HH       TYR  27   2.085  -5.555   7.309
  209    H    CYS  28           H        CYS  28  -2.754  -2.705   2.489
  210    HA   CYS  28           HA       CYS  28  -0.445  -2.116   0.759
  211   1HB   CYS  28          2HB       CYS  28  -2.776  -0.340   1.506
  212   2HB   CYS  28          1HB       CYS  28  -1.448   0.110   0.443
  213    H    ALA  29           H        ALA  29   1.284  -1.112   1.577
  214    HA   ALA  29           HA       ALA  29   1.064   0.007   4.299
  215   1HB   ALA  29          1HB       ALA  29   3.668  -1.022   3.283
  216   2HB   ALA  29          2HB       ALA  29   2.457  -2.174   3.846
  217   3HB   ALA  29          3HB       ALA  29   3.059  -0.924   4.937
  218    H    TRP  30           H        TRP  30   2.118   1.939   4.716
  219    HA   TRP  30           HA       TRP  30   2.182   3.947   2.958
  220   1HB   TRP  30          2HB       TRP  30   4.180   3.444   5.168
  221   2HB   TRP  30          1HB       TRP  30   4.068   4.969   4.294
  222    HD1  TRP  30           HD       TRP  30   3.190   3.898   7.484
  223    HE1  TRP  30           1HE      TRP  30   1.027   4.963   8.387
  224    HE3  TRP  30           3HE      TRP  30   1.199   5.557   3.077
  225    HZ2  TRP  30           2HZ      TRP  30  -1.222   6.322   7.368
  226    HZ3  TRP  30           3HZ      TRP  30  -0.966   6.727   3.132
  227    HH2  TRP  30           HH       TRP  30  -2.150   7.100   5.232
  228    H    ASP  31           H        ASP  31   3.852   5.048   1.752
  229    HA   ASP  31           HA       ASP  31   5.207   3.370  -0.045
  230   1HB   ASP  31          2HB       ASP  31   4.282   5.850  -0.263
  231   2HB   ASP  31          1HB       ASP  31   5.944   6.245   0.161
  232    H    PHE  32           H        PHE  32   6.193   2.452   2.134
  233    HA   PHE  32           HA       PHE  32   8.148   3.228   3.667
  234   1HB   PHE  32          2HB       PHE  32   7.480   0.835   3.177
  235   2HB   PHE  32          1HB       PHE  32   8.655   0.861   1.867
  236    HD1  PHE  32           1HD      PHE  32   8.286   1.244   5.531
  237    HD2  PHE  32           2HD      PHE  32  10.924   0.480   2.281
  238    HE1  PHE  32           1HE      PHE  32  10.061   0.632   7.120
  239    HE2  PHE  32           2HE      PHE  32  12.703  -0.134   3.863
  240    HZ   PHE  32           HZ       PHE  32  12.274  -0.060   6.287
  241    H    THR  33           H        THR  33   9.409   4.956   3.192
  242    HA   THR  33           HA       THR  33  10.914   5.083   0.729
  243    HB   THR  33           HB       THR  33  11.903   7.158   1.913
  244    HG1  THR  33           1HG      THR  33  11.068   7.730   3.775
  245   1HG2  THR  33          1HG2      THR  33   9.448   8.243   1.830
  246   2HG2  THR  33          2HG2      THR  33   9.186   6.790   0.867
  247   3HG2  THR  33          3HG2      THR  33  10.442   7.938   0.406
  248    H    PHE  34           H        PHE  34  13.338   6.031   1.311
  249    HA   PHE  34           HA       PHE  34  14.632   4.397   3.319
  250   1HB   PHE  34          2HB       PHE  34  16.064   3.969   0.854
  251   2HB   PHE  34          1HB       PHE  34  15.450   2.785   2.001
  252    HD1  PHE  34           1HD      PHE  34  13.983   5.129  -0.515
  253    HD2  PHE  34           2HD      PHE  34  14.108   1.184   1.076
  254    HE1  PHE  34           1HE      PHE  34  12.295   4.418  -2.157
  255    HE2  PHE  34           2HE      PHE  34  12.422   0.465  -0.566
  256    HZ   PHE  34           HZ       PHE  34  11.513   2.084  -2.185
  257    H    SER  35           H        SER  35  15.320   6.293   0.381
  258    HA   SER  35           HA       SER  35  16.980   8.088   1.976
  259   1HB   SER  35          2HB       SER  35  18.955   7.646   0.943
  260   2HB   SER  35          1HB       SER  35  18.210   6.081   0.616
  261    HG   SER  35           HG       SER  35  18.425   6.567  -1.406