*HEADER    SIGNALING PROTEIN                       12-OCT-01   1K5R              
*TITLE     YAP65 WW DOMAIN S24-AMINO-ETHYLSULFANYL-ACETIC ACID MUTANT            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 65 KDA YES-ASSOCIATED PROTEIN;                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: WW DOMAIN, RESIDUES 5-44;                                  
*COMPND   5 SYNONYM: YAP65; YES-ASSOCIATED PROTEIN 65 KDA;                       
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MUTATION: YES;                                                       
*COMPND   8 OTHER_DETAILS: 40-PEPTIDE CONSTRUCT WITH SYNTHETIC AMINO-            
*COMPND   9 ETHYL-SULFANYL-ACETIC ACID LINK AT POSITION 24;                      
*COMPND  10 MOL_ID: 2;                                                           
*COMPND  11 MOLECULE: FRAGMENT OF WBP-1;                                         
*COMPND  12 CHAIN: B;                                                            
*COMPND  13 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE SEQUENCE OCCURS NATURALLY IN HUMANS;              
*SOURCE   4 MOL_ID: 2;                                                           
*SOURCE   5 SYNTHETIC: YES;                                                      
*SOURCE   6 OTHER_DETAILS: THE SEQUENCE OCCURS NATURALLY IN HUMANS               
*KEYWDS    WW DOMAIN, YAP65, BETA-SHEET PROTEINS, STABILITY OF BETA              
*KEYWDS   2 SHEETS                                                               
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    N.FERGUSON, J.R.PIRES, F.TOEPERT, C.M.JOHNSON, Y.P.PAN,               
*AUTHOR   2 R.VOLKMER-ENGERT, J.SCHNEIDER-MERGENER, V.DAGGETT,                   
*AUTHOR   3 H.OSCHKINAT, A.R.FERSHT                                              
*REVDAT   1   02-NOV-01 1K5R    0                                                


assi (segid "   1" and resi 6    and name HA   ) (segid "   1" and resi 7    and name HN   )  2.50  0.70  0.30
assi (segid "   1" and resi 7    and name HA   ) (segid "   1" and resi 8    and name HD1  )  4.00  2.20  0.75
assi (segid "   1" and resi 7    and name HA   ) (segid "   1" and resi 8    and name HD2  )  3.50  1.70  0.40
assi (segid "   1" and resi 7    and name HG2# ) (segid "   1" and resi 8    and name HD1  )  4.00  2.20  0.75
assi (segid "   1" and resi 7    and name HG2# ) (segid "   1" and resi 8    and name HD2  )  4.50  2.70  0.75
assi (segid "   1" and resi 7    and name HD1# ) (segid "   1" and resi 8    and name HD1  )  5.00  3.20  0.75
assi (segid "   1" and resi 7    and name HD1# ) (resi 29   and name HE#  )  5.00  3.20  0.75
assi (segid "   1" and resi 7    and name HD1# ) (resi 44   and name HB1  )  4.00  2.20  0.75
assi (segid "   1" and resi 7    and name HD1# ) (resi 44   and name HG#  )  4.00  2.20  0.75
assi (segid "   1" and resi 7    and name HD1# ) (resi 44   and name HD#  )  4.00  2.20  0.75
assi (segid "   1" and resi 8    and name HB#  ) (segid "   1" and resi 9    and name HN   )  4.00  2.20  0.75
assi (segid "   1" and resi 8    and name HG#  ) (segid "   1" and resi 9    and name HN   )  3.00  1.20  0.40
assi (segid "   1" and resi 8    and name HB#  ) (segid "   1" and resi 10   and name HN   )  4.50  2.70  0.75
assi (segid "   1" and resi 9    and name HN   ) (segid "   1" and resi 10   and name HN   )  4.00  2.20  0.75
assi (segid "   1" and resi 9    and name HA   ) (segid "   1" and resi 10   and name HN   )  4.00  2.20  0.75
assi (segid "   1" and resi 9    and name HB1  ) (segid "   1" and resi 10   and name HN   )  4.00  2.20  0.75
assi (segid "   1" and resi 9    and name HB2  ) (segid "   1" and resi 10   and name HN   )  4.50  2.70  0.75
assi (segid "   1" and resi 10   and name HN   ) (resi 11   and name HN   )  3.00  1.20  0.40
assi (segid "   1" and resi 10   and name HA   ) (resi 11   and name HN   )  3.00  1.20  0.40
assi (resi 11   and name HA   ) (resi 12   and name HD1  )  3.00  1.20  0.40
assi (resi 11   and name HA   ) (resi 12   and name HD2  )  3.00  1.20  0.40
assi (resi 11   and name HG#  ) (resi 12   and name HD1  )  4.00  2.20  0.75
assi (resi 11   and name HG#  ) (resi 12   and name HD2  )  4.00  2.20  0.75
assi (resi 13   and name HA   ) (resi 14   and name HD1  )  3.00  1.20  0.40
assi (resi 13   and name HA   ) (resi 14   and name HD2  )  4.00  2.20  0.75
assi (resi 13   and name HG   ) (resi 14   and name HD1  )  4.00  2.20  0.75
assi (resi 13   and name HG   ) (resi 14   and name HD2  )  4.00  2.20  0.75
assi (resi 13   and name HB#  ) (resi 14   and name HD1  )  4.00  2.20  0.75
assi (resi 13   and name HB#  ) (resi 14   and name HD2  )  4.00  2.20  0.75
assi (resi 13   and name HD#  ) (resi 17   and name HB1  )  5.00  3.20  0.75
assi (resi 13   and name HD#  ) (resi 17   and name HB2  )  5.00  3.20  0.75
assi (resi 13   and name HD#  ) (resi 29   and name HD#  )  5.00  3.20  0.75
assi (resi 13   and name HD#  ) (resi 29   and name HE#  )  4.00  2.20  0.75
assi (resi 14   and name HA   ) (resi 15   and name HN   )  2.50  0.70  0.30
assi (resi 14   and name HB1  ) (resi 15   and name HN   )  4.00  2.20  0.75
assi (resi 14   and name HB2  ) (resi 15   and name HN   )  3.00  1.20  0.40
assi (resi 14   and name HA   ) (resi 17   and name HD1  )  4.00  2.20  0.75
assi (resi 14   and name HB1  ) (resi 17   and name HD1  )  5.00  3.20  0.75
assi (resi 14   and name HB2  ) (resi 17   and name HD1  )  4.00  2.20  0.75
assi (resi 14   and name HG1  ) (resi 17   and name HD1  )  5.00  3.20  0.75
assi (resi 14   and name HG2  ) (resi 17   and name HD1  )  4.50  2.70  0.75
assi (resi 14   and name HD2  ) (resi 29   and name HD#  )  3.00  1.20  0.40
assi (resi 14   and name HG1  ) (resi 42   and name HB1  )  4.00  2.20  0.75
assi (resi 14   and name HG1  ) (resi 42   and name HG#  )  5.00  3.20  0.75
assi (resi 14   and name HG2  ) (resi 42   and name HB1  )  4.50  2.70  0.75
assi (resi 14   and name HG2  ) (resi 42   and name HG#  )  3.00  1.20  0.40
assi (resi 14   and name HD2  ) (resi 42   and name HG#  )  4.00  2.20  0.75
assi (resi 15   and name HA   ) (resi 16   and name HN   )  2.50  0.70  0.30
assi (resi 15   and name HA   ) (resi 17   and name HN   )  4.00  2.20  0.75
assi (resi 15   and name HB#  ) (resi 17   and name HN   )  5.00  3.20  0.75
assi (resi 15   and name HB#  ) (resi 17   and name HD1  )  4.00  2.20  0.75
assi (resi 16   and name HN   ) (resi 17   and name HN   )  3.00  1.20  0.40
assi (resi 16   and name HA1  ) (resi 17   and name HN   )  4.00  2.20  0.75
assi (resi 16   and name HA2  ) (resi 17   and name HN   )  5.00  3.20  0.75
assi (resi 16   and name HA2  ) (resi 33   and name HD1# )  5.00  3.20  0.75
assi (resi 16   and name HA2  ) (resi 33   and name HG1# )  4.50  2.70  0.75
assi (resi 17   and name HA   ) (resi 18   and name HN   )  2.50  0.70  0.30
assi (resi 17   and name HB1  ) (resi 18   and name HN   )  4.00  2.20  0.75
assi (resi 17   and name HB2  ) (resi 18   and name HN   )  4.00  2.20  0.75
assi (resi 17   and name HE3  ) (resi 18   and name HN   )  4.00  2.20  0.75
assi (resi 17   and name HE3  ) (resi 29   and name HA   )  5.00  3.20  0.75
assi (resi 17   and name HE3  ) (resi 29   and name HB1  )  2.50  0.70  0.30
assi (resi 17   and name HE3  ) (resi 29   and name HB2  )  2.50  0.70  0.30
assi (resi 17   and name HE3  ) (resi 29   and name HD#  )  3.00  1.20  1.40
assi (resi 17   and name HZ3  ) (resi 29   and name HA   )  4.00  2.20  0.75
assi (resi 17   and name HZ3  ) (resi 29   and name HB1  )  4.00  2.20  0.75
assi (resi 17   and name HZ3  ) (resi 29   and name HB2  )  3.00  1.20  0.40
assi (resi 17   and name HE3  ) (resi 30   and name HN   )  5.00  3.20  0.75
assi (resi 17   and name HZ2  ) (resi 31   and name HB1  )  4.00  2.20  0.75
assi (resi 17   and name HZ2  ) (resi 31   and name HB2  )  4.00  2.20  0.75
assi (resi 17   and name HZ2  ) (resi 31   and name HD21 )  4.00  2.20  0.75
assi (resi 17   and name HZ2  ) (resi 31   and name HD22 )  3.00  1.20  0.40
assi (resi 17   and name HZ3  ) (resi 31   and name HB1  )  4.00  2.20  0.75
assi (resi 17   and name HH2  ) (resi 31   and name HD22 )  4.00  2.20  0.75
assi (resi 17   and name HA   ) (resi 32   and name HN   )  4.00  2.20  0.75
assi (resi 17   and name HD1  ) (resi 33   and name HB   )  5.00  3.20  0.75
assi (resi 17   and name HD1  ) (resi 33   and name HG1# )  5.00  3.20  0.75
assi (resi 17   and name HE1  ) (resi 33   and name HB   )  4.00  2.20  0.75
assi (resi 17   and name HE1  ) (resi 33   and name HD1# )  5.00  3.20  0.75
assi (resi 17   and name HE1  ) (resi 33   and name HG1# )  5.00  3.20  0.75
assi (resi 17   and name HZ2  ) (resi 38   and name HG2# )  4.00  2.20  0.75
assi (resi 17   and name HH2  ) (resi 38   and name HG2# )  4.00  2.20  0.75
assi (resi 17   and name HZ3  ) (resi 42   and name HD2  )  5.50  3.70  0.75
assi (resi 18   and name HA   ) (resi 19   and name HN   )  2.50  0.70  0.30
assi (resi 18   and name HA   ) (resi 19   and name HE#  )  4.00  2.20  0.75
assi (resi 18   and name HB1  ) (resi 19   and name HN   )  5.00  3.20  0.75
assi (resi 18   and name HB2  ) (resi 19   and name HN   )  4.00  2.20  0.75
assi (resi 18   and name HG#  ) (resi 19   and name HN   )  4.00  2.20  0.75
assi (resi 18   and name HB1  ) (resi 20   and name HB#  )  5.00  3.20  0.75
assi (resi 18   and name HG#  ) (resi 20   and name HB#  )  5.00  3.20  0.75
assi (resi 19   and name HA   ) (resi 20   and name HN   )  2.50  0.70  0.30
assi (resi 19   and name HA   ) (resi 20   and name HB#  )  5.00  3.20  0.75
assi (resi 19   and name HB1  ) (resi 20   and name HN   )  4.00  2.20  0.75
assi (resi 19   and name HB2  ) (resi 20   and name HN   )  4.00  2.20  0.75
assi (resi 19   and name HG2  ) (resi 20   and name HN   )  4.00  2.20  0.75
assi (resi 19   and name HA   ) (resi 29   and name HD#  )  4.00  2.20  0.75
assi (resi 19   and name HA   ) (resi 29   and name HE#  )  6.00  4.20  1.75
assi (resi 19   and name HB1  ) (resi 29   and name HD#  )  4.00  2.20  0.75
assi (resi 19   and name HB1  ) (resi 29   and name HE#  )  4.00  2.20  0.75
assi (resi 19   and name HB2  ) (resi 29   and name HD#  )  5.00  3.20  0.75
assi (resi 19   and name HB2  ) (resi 29   and name HE#  )  4.00  2.20  1.75
assi (resi 19   and name HG2  ) (resi 29   and name HD#  )  5.00  3.20  0.75
assi (resi 19   and name HG2  ) (resi 29   and name HE#  )  5.00  3.20  0.75
assi (resi 19   and name HE#  ) (resi 29   and name HB2  )  5.00  3.20  0.75
assi (resi 19   and name HE#  ) (resi 29   and name HD#  )  5.00  3.20  0.75
assi (resi 19   and name HE#  ) (resi 29   and name HE#  )  5.00  3.20  0.75
assi (resi 19   and name HA   ) (resi 30   and name HN   )  5.00  3.20  0.75
assi (resi 19   and name HB1  ) (resi 30   and name HB2  )  4.00  2.20  0.75
assi (resi 19   and name HB2  ) (resi 30   and name HB2  )  4.00  2.20  0.75
assi (resi 19   and name HB2  ) (resi 30   and name HG   )  6.00  4.20  1.75
assi (resi 20   and name HA   ) (resi 21   and name HN   )  3.00  1.20  0.40
assi (resi 20   and name HB#  ) (resi 21   and name HN   )  4.00  2.20  0.75
assi (resi 20   and name HN   ) (resi 28   and name HN   )  4.00  2.20  0.75
assi (resi 20   and name HB#  ) (resi 28   and name HD#  )  5.00  3.20  0.75
assi (resi 20   and name HB#  ) (resi 28   and name HE#  )  4.00  2.20  0.75
assi (resi 20   and name HN   ) (resi 29   and name HA   )  4.00  2.20  0.75
assi (resi 20   and name HB#  ) (resi 29   and name HA   )  6.00  4.20  1.75
assi (resi 21   and name HA   ) (resi 22   and name HN   )  2.50  0.70  0.30
assi (resi 21   and name HB2  ) (resi 22   and name HN   )  3.00  1.20  0.40
assi (resi 21   and name HA   ) (resi 28   and name HN   )  4.00  2.20  0.75
assi (resi 21   and name HA   ) (resi 28   and name HD#  )  4.00  2.20  0.75
assi (resi 21   and name HA   ) (resi 28   and name HE#  )  5.00  3.20  0.75
assi (resi 22   and name HA   ) (resi 23   and name HN   )  2.50  0.70  0.30
assi (resi 22   and name HA   ) (resi 28   and name HE#  )  4.00  2.20  0.75
assi (resi 22   and name HG2# ) (resi 28   and name HD#  )  4.00  2.20  0.75
assi (resi 22   and name HG2# ) (resi 28   and name HE#  )  4.00  2.20  0.75
assi (resi 26   and name HB1  ) (resi 39   and name HZ3  )  4.00  2.20  0.75
assi (resi 26   and name HG1  ) (resi 39   and name HZ3  )  4.00  2.20  0.75
assi (resi 26   and name HG2  ) (resi 39   and name HZ3  )  4.50  2.70  0.75
assi (resi 27   and name HA   ) (resi 28   and name HN   )  4.00  2.20  0.75
assi (resi 27   and name HB2  ) (resi 28   and name HN   )  4.00  2.20  0.75
assi (resi 27   and name HG1  ) (resi 28   and name HN   )  4.00  2.20  0.75
assi (resi 28   and name HN   ) (resi 29   and name HD#  )  5.00  3.20  0.75
assi (resi 28   and name HA   ) (resi 29   and name HN   )  3.00  1.20  0.40
assi (resi 28   and name HA   ) (resi 29   and name HD#  )  4.00  2.20  0.75
assi (resi 28   and name HA   ) (resi 29   and name HE#  )  4.00  2.20  0.75
assi (resi 28   and name HD#  ) (resi 29   and name HN   )  4.00  2.20  0.75
assi (resi 28   and name HD#  ) (resi 30   and name HB1  )  5.00  3.20  0.75
assi (resi 28   and name HD#  ) (resi 30   and name HB2  )  5.00  3.20  0.75
assi (resi 28   and name HD#  ) (resi 30   and name HD2# )  5.00  3.20  0.75
assi (resi 28   and name HE#  ) (resi 30   and name HB1  )  5.50  3.70  0.75
assi (resi 28   and name HE#  ) (resi 30   and name HB2  )  5.00  3.20  0.75
assi (resi 28   and name HE#  ) (resi 30   and name HD1# )  5.00  3.20  0.75
assi (resi 28   and name HE#  ) (resi 30   and name HD2# )  4.50  2.70  0.75
assi (resi 28   and name HD#  ) (resi 37   and name HA   )  5.00  3.20  0.75
assi (resi 28   and name HD#  ) (resi 37   and name HB   )  3.00  1.20  0.40
assi (resi 28   and name HE#  ) (resi 37   and name HB   )  4.00  2.20  0.75
assi (resi 28   and name HE#  ) (resi 37   and name HG2# )  4.50  2.70  0.75
assi (resi 28   and name HA   ) (resi 39   and name HE3  )  4.00  2.20  0.75
assi (resi 28   and name HA   ) (resi 39   and name HZ3  )  4.00  2.20  0.75
assi (resi 28   and name HB1  ) (resi 39   and name HE3  )  3.00  1.20  0.40
assi (resi 28   and name HB2  ) (resi 39   and name HE3  )  4.00  2.20  0.75
assi (resi 28   and name HD#  ) (resi 39   and name HE3  )  4.00  2.20  0.75
assi (resi 29   and name HA   ) (resi 30   and name HN   )  2.50  0.70  0.30
assi (resi 29   and name HB1  ) (resi 30   and name HN   )  4.00  2.20  0.75
assi (resi 29   and name HB2  ) (resi 30   and name HN   )  5.00  3.20  0.75
assi (resi 29   and name HD#  ) (resi 30   and name HN   )  5.00  3.20  0.75
assi (resi 29   and name HB1  ) (resi 38   and name HG2# )  5.00  3.20  0.75
assi (resi 29   and name HB2  ) (resi 38   and name HG2# )  4.00  2.20  0.75
assi (resi 29   and name HD#  ) (resi 42   and name HD1  )  5.00  3.20  0.75
assi (resi 29   and name HD#  ) (resi 42   and name HD2  )  4.00  2.20  0.75
assi (resi 30   and name HA   ) (resi 31   and name HN   )  2.50  0.70  0.30
assi (resi 30   and name HA   ) (resi 37   and name HG2# )  4.50  2.70  0.75
assi (resi 30   and name HA   ) (resi 38   and name HN   )  4.00  2.20  0.75
assi (resi 31   and name HA   ) (resi 32   and name HN   )  2.50  0.70  0.30
assi (resi 31   and name HN   ) (resi 36   and name HN   )  4.00  2.20  0.75
assi (resi 31   and name HB1  ) (resi 36   and name HN   )  4.00  2.20  0.75
assi (resi 31   and name HN   ) (resi 37   and name HA   )  4.00  2.20  0.75
assi (resi 32   and name HA   ) (resi 33   and name HN   )  4.00  2.20  0.75
assi (resi 32   and name HB1  ) (resi 33   and name HN   )  4.00  2.20  0.75
assi (resi 32   and name HB2  ) (resi 33   and name HN   )  5.00  3.20  0.75
assi (resi 32   and name HA   ) (resi 35   and name HN   )  5.00  3.20  0.75
assi (resi 32   and name HA   ) (resi 35   and name HA   )  5.00  3.20  0.75
assi (resi 33   and name HB   ) (resi 34   and name HN   )  3.00  1.20  0.40
assi (resi 33   and name HD1# ) (resi 34   and name HN   )  5.00  3.20  0.75
assi (resi 33   and name HD1# ) (resi 34   and name HB1  )  5.00  3.20  0.75
assi (resi 33   and name HD1# ) (resi 34   and name HB2  )  5.00  3.20  0.75
assi (resi 33   and name HG1# ) (resi 34   and name HN   )  3.00  1.20  0.40
assi (resi 34   and name HN   ) (resi 35   and name HN   )  3.00  1.20  0.40
assi (resi 34   and name HA   ) (resi 35   and name HN   )  4.00  2.20  0.75
assi (resi 36   and name HA   ) (resi 37   and name HN   )  2.50  0.70  0.30
assi (resi 36   and name HB   ) (resi 37   and name HN   )  2.50  0.70  0.30
assi (resi 36   and name HG2# ) (resi 37   and name HN   )  5.00  3.20  0.75
assi (resi 37   and name HA   ) (resi 38   and name HN   )  3.00  1.20  0.40
assi (resi 37   and name HB   ) (resi 38   and name HN   )  3.00  1.20  0.40
assi (resi 38   and name HG2# ) (resi 39   and name HN   )  5.00  3.20  0.75
assi (resi 40   and name HA   ) (resi 41   and name HN   )  3.00  1.20  0.40
assi (resi 43   and name HN   ) (resi 44   and name HN   )  3.00  1.20  0.40
assi (resi 43   and name HA   ) (resi 44   and name HN   )  4.00  2.20  0.75
assi (segid "   2" and resi 6  and name HA   ) (segid "   2" and resi 7  and name HN   )  2.50  0.70  0.30
assi (segid "   2" and resi 7  and name HA   ) (segid "   2" and resi 8  and name HN   )  4.00  2.20  0.75
assi (segid "   2" and resi 8  and name HA   ) (segid "   2" and resi 9  and name HN   )  2.50  0.70  0.30
assi (resi 22 and name HA) (resi 28 and name HD#) 5.00  3.20  1.75
assi (resi 22 and name HA) (resi 39 and name HH2) 5.00  3.20  1.75
assi (resi 22 and name HB) (resi 28 and name HD#) 5.00  3.20  1.75
assi (resi 22 and name HB) (resi 28 and name HE#) 5.00  3.20  1.75
assi (resi 22 and name HB) (resi 39 and name HH2) 5.00  3.20  1.75
assi (resi 22 and name HB) (resi 39 and name HZ2) 5.00  3.20  1.75
assi (resi 22 and name HG2#) (resi 39 and name HE3) 5.00  3.20  1.75
assi (resi 22 and name HG2#) (resi 39 and name HH2) 5.00  3.20  1.75
assi (resi 22 and name HG2#) (resi 39 and name HZ2) 5.00  3.20  1.75
assi (resi 22 and name HG2#) (resi 39 and name HZ3) 5.00  3.20  1.75
assi (resi 26 and name HB1) (resi 22 and name HG2#) 5.00  3.20  1.75
assi (resi 26 and name HB1) (resi 28 and name HD#) 5.00  3.20  1.75
assi (resi 26 and name HB1) (resi 39 and name HE3) 5.00  3.20  1.75
assi (resi 26 and name HB1) (resi 39 and name HH2) 5.00  3.20  1.75
assi (resi 26 and name HG1) (resi 28 and name HD#) 5.00  3.20  1.75
assi (resi 26 and name HG1) (resi 39 and name HE3) 5.00  3.20  1.75
assi (resi 26 and name HG1) (resi 39 and name HH2) 5.00  3.20  1.75
assi (resi 26 and name HG2) (resi 22 and name HG2#) 5.00  3.20  1.75
assi (resi 28   and name HD#  ) (segid "   2" and resi 5  and name HB2  )  3.50  1.70  0.75
assi (resi 28   and name HE#  ) (segid "   2" and resi 5  and name HB2  )  3.50  1.70  0.75
assi (resi 28   and name HE#  ) (segid "   2" and resi 5  and name HG#  )  3.50  1.70  0.75
assi (resi 30   and name HD1# ) (segid "   2" and resi 7  and name HD#  )  5.00  3.20  1.75
assi (resi 30   and name HD1# ) (segid "   2" and resi 7  and name HE#  )  5.00  3.20  1.75
assi (resi 32   and name HA   ) (segid "   2" and resi 7  and name HE#  )  5.00  3.20  1.75
assi (resi 32   and name HB1  ) (segid "   2" and resi 7  and name HD#  )  5.00  3.20  1.75
assi (resi 32   and name HB1  ) (segid "   2" and resi 7  and name HE#  )  5.00  3.20  1.75
assi (resi 35   and name HA   ) (segid "   2" and resi 7  and name HE#  )  5.00  3.20  1.75
assi (resi 35   and name HB1  ) (segid "   2" and resi 7  and name HE#  )  5.00  3.20  1.75
assi (segid "   2" and resi 4 and name HA) (resi 39 and name HH2) 5.00  2.20  1.75
assi (segid "   2" and resi 4 and name HA) (resi 39 and name HZ3) 5.00  2.20  1.75
assi (segid "   2" and resi 4 and name HA) (resi 39 and name HE1) 5.00  2.20  1.75
assi (segid "   2" and resi 2 and name HA) (resi 39 and name HE1) 5.00  2.20  1.75


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    PHE   5           H        PHE   5   8.758 -14.491  -1.258
    2    HA   PHE   5           HA       PHE   5   6.284 -15.707  -2.447
    3   1HB   PHE   5          2HB       PHE   5   7.364 -15.591   0.208
    4   2HB   PHE   5          1HB       PHE   5   5.860 -14.671   0.178
    5    HD1  PHE   5           1HD      PHE   5   4.248 -16.046  -1.819
    6    HD2  PHE   5           2HD      PHE   5   6.876 -17.681   1.159
    7    HE1  PHE   5           1HE      PHE   5   2.953 -18.161  -1.838
    8    HE2  PHE   5           2HE      PHE   5   5.582 -19.796   1.141
    9    HZ   PHE   5           HZ       PHE   5   3.620 -20.037  -0.359
   10    H    GLU   6           H        GLU   6   7.785 -12.767  -1.155
   11    HA   GLU   6           HA       GLU   6   7.220 -10.493  -1.438
   12   1HB   GLU   6          2HB       GLU   6   6.814 -11.867  -3.826
   13   2HB   GLU   6          1HB       GLU   6   5.314 -10.966  -3.607
   14   1HG   GLU   6          2HG       GLU   6   6.845  -9.540  -4.812
   15   2HG   GLU   6          1HG       GLU   6   6.713  -8.910  -3.170
   16    H    ILE   7           H        ILE   7   5.970  -9.733   0.200
   17    HA   ILE   7           HA       ILE   7   4.108  -9.460   1.646
   18    HB   ILE   7           HB       ILE   7   3.945  -7.871  -0.249
   19   1HG1  ILE   7          2HG1      ILE   7   1.608  -7.268   0.062
   20   2HG1  ILE   7          1HG1      ILE   7   1.217  -8.894   0.608
   21   1HG2  ILE   7          1HG2      ILE   7   3.718  -9.230  -2.148
   22   2HG2  ILE   7          2HG2      ILE   7   2.128  -8.489  -1.971
   23   3HG2  ILE   7          3HG2      ILE   7   2.388 -10.150  -1.448
   24   1HD1  ILE   7          1HD1      ILE   7   1.513  -7.252   2.486
   25   2HD1  ILE   7          2HD1      ILE   7   3.198  -7.068   1.998
   26   3HD1  ILE   7          3HD1      ILE   7   2.613  -8.627   2.578
   27    HA   PRO   8           HA       PRO   8   2.172 -13.614   0.452
   28   1HB   PRO   8          1HB       PRO   8   3.336 -15.146   2.405
   29   2HB   PRO   8          2HB       PRO   8   4.032 -14.939   0.787
   30   1HG   PRO   8          2HG       PRO   8   4.744 -13.589   3.352
   31   2HG   PRO   8          1HG       PRO   8   5.800 -14.176   2.059
   32   1HD   PRO   8          2HD       PRO   8   5.139 -11.553   2.360
   33   2HD   PRO   8          1HD       PRO   8   5.521 -12.286   0.794
   34    H    ASP   9           H        ASP   9   2.914 -13.948   3.883
   35    HA   ASP   9           HA       ASP   9   1.458 -13.948   5.744
   36   1HB   ASP   9          1HB       ASP   9   1.912 -11.552   5.341
   37   2HB   ASP   9          2HB       ASP   9   0.542 -11.481   4.232
   38    H    ASP  10           H        ASP  10   0.502 -15.275   3.150
   39    HA   ASP  10           HA       ASP  10  -1.479 -16.301   2.371
   40   1HB   ASP  10          1HB       ASP  10  -1.560 -16.009   5.283
   41   2HB   ASP  10          2HB       ASP  10  -3.173 -16.115   4.576
   42    H    VAL  11           H        VAL  11  -1.166 -13.215   2.387
   43    HA   VAL  11           HA       VAL  11  -4.012 -12.656   1.693
   44    HB   VAL  11           HB       VAL  11  -2.218 -11.077   3.561
   45   1HG1  VAL  11          1HG2      VAL  11  -3.386  -9.248   2.952
   46   2HG1  VAL  11          2HG2      VAL  11  -4.855 -10.042   3.522
   47   3HG1  VAL  11          3HG2      VAL  11  -4.362 -10.203   1.836
   48   1HG2  VAL  11          1HG1      VAL  11  -3.352 -13.036   4.557
   49   2HG2  VAL  11          2HG1      VAL  11  -4.900 -12.438   3.962
   50   3HG2  VAL  11          3HG1      VAL  11  -4.016 -11.530   5.188
   51    HA   PRO  12           HA       PRO  12  -1.397 -10.990  -1.600
   52   1HB   PRO  12          1HB       PRO  12  -3.350 -10.938  -3.513
   53   2HB   PRO  12          2HB       PRO  12  -2.454 -12.406  -3.087
   54   1HG   PRO  12          1HG       PRO  12  -5.202 -11.573  -2.345
   55   2HG   PRO  12          2HG       PRO  12  -4.554 -13.190  -2.647
   56   1HD   PRO  12          2HD       PRO  12  -5.038 -12.092  -0.145
   57   2HD   PRO  12          1HD       PRO  12  -3.976 -13.475  -0.468
   58    H    LEU  13           H        LEU  13  -2.475  -9.208  -3.453
   59    HA   LEU  13           HA       LEU  13  -2.447  -6.703  -2.239
   60   1HB   LEU  13          1HB       LEU  13  -2.720  -7.742  -4.751
   61   2HB   LEU  13          2HB       LEU  13  -4.318  -7.038  -4.509
   62    HG   LEU  13           HG       LEU  13  -3.282  -4.878  -3.925
   63   1HD1  LEU  13          1HD2      LEU  13  -0.701  -4.898  -4.668
   64   2HD1  LEU  13          2HD2      LEU  13  -0.825  -6.558  -4.084
   65   3HD1  LEU  13          3HD2      LEU  13  -1.198  -5.214  -3.006
   66   1HD2  LEU  13          1HD1      LEU  13  -3.394  -4.429  -6.124
   67   2HD2  LEU  13          2HD1      LEU  13  -3.258  -6.151  -6.477
   68   3HD2  LEU  13          3HD1      LEU  13  -1.806  -5.157  -6.361
   69    HA   PRO  14           HA       PRO  14  -6.253  -6.507   0.018
   70   1HB   PRO  14          2HB       PRO  14  -6.509  -3.784   0.169
   71   2HB   PRO  14          1HB       PRO  14  -5.388  -4.716   1.171
   72   1HG   PRO  14          1HG       PRO  14  -4.854  -3.202  -1.354
   73   2HG   PRO  14          2HG       PRO  14  -3.917  -3.242   0.146
   74   1HD   PRO  14          2HD       PRO  14  -3.196  -4.670  -2.010
   75   2HD   PRO  14          1HD       PRO  14  -2.963  -5.293  -0.364
   76    H    ALA  15           H        ALA  15  -8.425  -6.411  -0.524
   77    HA   ALA  15           HA       ALA  15  -9.140  -6.073  -3.324
   78   1HB   ALA  15          1HB       ALA  15 -10.280  -7.763  -2.223
   79   2HB   ALA  15          2HB       ALA  15 -11.464  -6.459  -2.123
   80   3HB   ALA  15          3HB       ALA  15 -10.435  -6.825  -0.737
   81    H    GLY  16           H        GLY  16  -9.941  -4.266  -4.294
   82   1HA   GLY  16          1HA       GLY  16 -11.204  -2.259  -4.507
   83   2HA   GLY  16          2HA       GLY  16 -11.504  -2.298  -2.766
   84    H    TRP  17           H        TRP  17  -8.374  -2.566  -4.362
   85    HA   TRP  17           HA       TRP  17  -7.578   0.034  -3.099
   86   1HB   TRP  17          2HB       TRP  17  -6.360  -2.712  -3.204
   87   2HB   TRP  17          1HB       TRP  17  -5.319  -1.307  -2.982
   88    HD1  TRP  17           HD       TRP  17  -8.650  -2.577  -1.425
   89    HE1  TRP  17           1HE      TRP  17  -8.554  -2.115   1.114
   90    HE3  TRP  17           3HE      TRP  17  -4.078  -0.405  -1.120
   91    HZ2  TRP  17           2HZ      TRP  17  -6.724  -0.975   3.026
   92    HZ3  TRP  17           3HZ      TRP  17  -3.153   0.340   1.034
   93    HH2  TRP  17           HH       TRP  17  -4.471   0.060   3.122
   94    H    GLU  18           H        GLU  18  -5.431   0.820  -4.146
   95    HA   GLU  18           HA       GLU  18  -5.031   0.048  -6.968
   96   1HB   GLU  18          2HB       GLU  18  -7.028   1.685  -6.686
   97   2HB   GLU  18          1HB       GLU  18  -5.800   2.894  -6.305
   98   1HG   GLU  18          2HG       GLU  18  -5.655   3.210  -8.544
   99   2HG   GLU  18          1HG       GLU  18  -4.781   1.679  -8.573
  100    H    MET  19           H        MET  19  -2.931  -0.387  -5.742
  101    HA   MET  19           HA       MET  19  -1.310   1.442  -4.439
  102   1HB   MET  19          2HB       MET  19   0.476  -0.008  -5.013
  103   2HB   MET  19          1HB       MET  19  -0.954  -1.026  -5.051
  104   1HG   MET  19          1HG       MET  19   0.227   0.290  -7.518
  105   2HG   MET  19          2HG       MET  19   0.629  -1.344  -6.999
  106   1HE   MET  19          1HE       MET  19  -0.922  -2.861  -6.223
  107   2HE   MET  19          2HE       MET  19  -2.000  -3.544  -7.438
  108   3HE   MET  19          3HE       MET  19  -2.664  -2.562  -6.134
  109    H    ALA  20           H        ALA  20   0.500   2.761  -5.184
  110    HA   ALA  20           HA       ALA  20   0.591   3.637  -7.985
  111   1HB   ALA  20          1HB       ALA  20  -1.398   4.737  -6.697
  112   2HB   ALA  20          2HB       ALA  20  -0.334   5.787  -7.633
  113   3HB   ALA  20          3HB       ALA  20  -0.146   5.676  -5.883
  114    H    LYS  21           H        LYS  21   1.727   6.276  -7.029
  115    HA   LYS  21           HA       LYS  21   4.092   5.382  -5.467
  116   1HB   LYS  21          2HB       LYS  21   5.571   6.312  -7.274
  117   2HB   LYS  21          1HB       LYS  21   4.635   4.915  -7.803
  118   1HG   LYS  21          2HG       LYS  21   3.752   6.158  -9.458
  119   2HG   LYS  21          1HG       LYS  21   3.031   7.223  -8.252
  120   1HD   LYS  21          2HD       LYS  21   4.417   8.599  -9.657
  121   2HD   LYS  21          1HD       LYS  21   5.268   8.415  -8.123
  122   1HE   LYS  21          1HE       LYS  21   6.802   6.838  -9.040
  123   2HE   LYS  21          2HE       LYS  21   5.784   6.564 -10.468
  124   1HZ   LYS  21          1HZ       LYS  21   7.715   8.164 -10.757
  125   2HZ   LYS  21          2HZ       LYS  21   6.855   9.240  -9.762
  126   3HZ   LYS  21          3HZ       LYS  21   6.194   8.734 -11.244
  127    H    THR  22           H        THR  22   4.672   6.984  -4.064
  128    HA   THR  22           HA       THR  22   3.248   9.465  -3.885
  129    HB   THR  22           HB       THR  22   4.845   9.898  -2.088
  130    HG1  THR  22           1HG      THR  22   6.321   7.906  -3.438
  131   1HG2  THR  22          1HG2      THR  22   4.837   7.031  -1.666
  132   2HG2  THR  22          2HG2      THR  22   3.295   7.570  -2.331
  133   3HG2  THR  22          3HG2      THR  22   3.908   8.280  -0.838
  134    H    SER  23           H        SER  23   5.238  11.389  -3.444
  135    HA   SER  23           HA       SER  23   5.916  12.134  -6.205
  136   1HB   SER  23          1HB       SER  23   6.116  13.373  -3.458
  137   2HB   SER  23          2HB       SER  23   6.834  14.161  -4.863
  138    HG   SER  23           HG       SER  23   4.916  14.612  -5.617
  139    H    ESD  24           H        ESD  24   7.390   9.960  -5.989
  140   1HG   ESD  24          1HG       ESD  24   9.391   8.524  -7.055
  141   2HG   ESD  24          2HG       ESD  24   8.612   8.167  -5.514
  142   2HD   ESD  24          2HD       ESD  24   9.938  10.249  -4.636
  143   1HD   ESD  24          1HD       ESD  24  10.067  10.670  -6.356
  144   2HA   ESD  24          2HA       ESD  24  11.426   6.533  -7.440
  145   1HA   ESD  24          1HA       ESD  24   9.916   6.074  -6.574
  146    H    GLY  25           H        GLY  25  10.311   5.699  -4.042
  147   1HA   GLY  25          2HA       GLY  25  10.628   2.789  -4.519
  148   2HA   GLY  25          1HA       GLY  25  11.656   3.527  -3.291
  149    H    GLN  26           H        GLN  26  10.403   1.920  -1.906
  150    HA   GLN  26           HA       GLN  26   8.871   1.626  -0.134
  151   1HB   GLN  26          2HB       GLN  26   9.318   4.287  -0.282
  152   2HB   GLN  26          1HB       GLN  26   7.594   4.267  -0.649
  153   1HG   GLN  26          2HG       GLN  26   7.946   4.481   1.775
  154   2HG   GLN  26          1HG       GLN  26   7.189   2.932   1.403
  155   1HE2  GLN  26          1HE2      GLN  26  10.382   4.418   2.110
  156   2HE2  GLN  26          2HE2      GLN  26  11.079   2.998   2.727
  157    H    ARG  27           H        ARG  27   7.143   3.584  -2.604
  158    HA   ARG  27           HA       ARG  27   5.103   3.157  -3.718
  159   1HB   ARG  27          2HB       ARG  27   6.798   1.079  -4.093
  160   2HB   ARG  27          1HB       ARG  27   5.467   0.232  -3.305
  161   1HG   ARG  27          1HG       ARG  27   4.428   2.078  -5.269
  162   2HG   ARG  27          2HG       ARG  27   5.627   1.020  -6.016
  163   1HD   ARG  27          1HD       ARG  27   3.869  -0.459  -4.208
  164   2HD   ARG  27          2HD       ARG  27   2.966   0.346  -5.505
  165    HE   ARG  27           HE       ARG  27   5.170  -0.714  -6.804
  166   1HH1  ARG  27          1HH2      ARG  27   2.713  -2.006  -4.704
  167   2HH1  ARG  27          2HH2      ARG  27   2.774  -3.579  -5.419
  168   1HH2  ARG  27          1HH1      ARG  27   5.231  -2.764  -7.715
  169   2HH2  ARG  27          2HH1      ARG  27   4.188  -4.008  -7.111
  170    H    TYR  28           H        TYR  28   2.936   1.909  -3.403
  171    HA   TYR  28           HA       TYR  28   2.330   0.780  -0.808
  172   1HB   TYR  28          2HB       TYR  28   1.096   2.720   0.083
  173   2HB   TYR  28          1HB       TYR  28   2.772   3.161  -0.223
  174    HD1  TYR  28           1HD      TYR  28  -0.580   4.136  -0.707
  175    HD2  TYR  28           2HD      TYR  28   3.230   4.118  -2.698
  176    HE1  TYR  28           1HE      TYR  28  -1.335   5.979  -2.174
  177    HE2  TYR  28           2HE      TYR  28   2.464   5.957  -4.164
  178    HH   TYR  28           HH       TYR  28  -0.460   7.698  -3.563
  179    H    PHE  29           H        PHE  29   0.006   0.304  -0.616
  180    HA   PHE  29           HA       PHE  29  -1.167  -0.167  -3.246
  181   1HB   PHE  29          1HB       PHE  29  -1.973  -0.908  -0.432
  182   2HB   PHE  29          2HB       PHE  29  -2.739  -1.547  -1.886
  183    HD1  PHE  29           1HD      PHE  29  -0.237  -2.146   0.495
  184    HD2  PHE  29           2HD      PHE  29  -0.985  -2.416  -3.721
  185    HE1  PHE  29           1HE      PHE  29   1.636  -3.745   0.266
  186    HE2  PHE  29           2HE      PHE  29   0.882  -4.017  -3.956
  187    HZ   PHE  29           HZ       PHE  29   2.196  -4.695  -1.959
  188    H    LEU  30           H        LEU  30  -1.177   2.478  -1.523
  189    HA   LEU  30           HA       LEU  30  -2.653   4.325  -1.282
  190   1HB   LEU  30          2HB       LEU  30  -2.383   3.448  -3.836
  191   2HB   LEU  30          1HB       LEU  30  -4.128   3.316  -3.650
  192    HG   LEU  30           HG       LEU  30  -3.234   5.809  -2.513
  193   1HD1  LEU  30          1HD2      LEU  30  -2.068   6.829  -4.230
  194   2HD1  LEU  30          2HD2      LEU  30  -2.752   5.770  -5.463
  195   3HD1  LEU  30          3HD2      LEU  30  -1.463   5.182  -4.412
  196   1HD2  LEU  30          1HD1      LEU  30  -4.725   6.456  -4.691
  197   2HD2  LEU  30          2HD1      LEU  30  -5.422   5.919  -3.162
  198   3HD2  LEU  30          3HD1      LEU  30  -5.193   4.769  -4.479
  199    H    ASN  31           H        ASN  31  -3.863   3.687   0.628
  200    HA   ASN  31           HA       ASN  31  -6.211   1.933   0.346
  201   1HB   ASN  31          1HB       ASN  31  -4.589   2.133   2.328
  202   2HB   ASN  31          2HB       ASN  31  -5.398   3.650   2.699
  203   1HD2  ASN  31          1HD2      ASN  31  -5.902   2.213   4.754
  204   2HD2  ASN  31          2HD2      ASN  31  -7.346   1.323   4.690
  205    H    HIS  32           H        HIS  32  -6.723   3.939  -1.397
  206    HA   HIS  32           HA       HIS  32  -7.879   6.343  -0.424
  207   1HB   HIS  32          2HB       HIS  32  -9.007   6.337  -2.623
  208   2HB   HIS  32          1HB       HIS  32  -7.332   5.809  -2.783
  209    HD1  HIS  32           1HD      HIS  32 -10.796   4.729  -3.376
  210    HD2  HIS  32           2HD      HIS  32  -7.076   2.881  -3.020
  211    HE1  HIS  32           1HE      HIS  32 -11.065   2.391  -4.311
  212    H    ILE  33           H        ILE  33  -9.232   3.081  -0.748
  213    HA   ILE  33           HA       ILE  33 -11.969   3.594  -0.366
  214    HB   ILE  33           HB       ILE  33 -11.887   1.291   0.787
  215   1HG1  ILE  33          2HG1      ILE  33  -9.330   0.510  -0.128
  216   2HG1  ILE  33          1HG1      ILE  33  -9.072   1.962   0.833
  217   1HG2  ILE  33          1HG2      ILE  33 -12.211   1.754  -1.678
  218   2HG2  ILE  33          2HG2      ILE  33 -11.504   0.180  -1.309
  219   3HG2  ILE  33          3HG2      ILE  33 -10.479   1.495  -1.882
  220   1HD1  ILE  33          1HD1      ILE  33  -9.114  -0.329   2.059
  221   2HD1  ILE  33          2HD1      ILE  33 -10.860  -0.241   1.838
  222   3HD1  ILE  33          3HD1      ILE  33 -10.025   1.006   2.762
  223    H    ASP  34           H        ASP  34  -9.420   3.318   2.120
  224    HA   ASP  34           HA       ASP  34 -11.404   4.000   4.221
  225   1HB   ASP  34          1HB       ASP  34  -9.897   2.139   4.625
  226   2HB   ASP  34          2HB       ASP  34  -8.495   3.137   4.242
  227    H    GLN  35           H        GLN  35  -8.029   5.018   4.415
  228    HA   GLN  35           HA       GLN  35  -8.325   7.728   3.537
  229   1HB   GLN  35          2HB       GLN  35  -9.456   6.989   6.132
  230   2HB   GLN  35          1HB       GLN  35  -8.272   8.289   6.272
  231   1HG   GLN  35          1HG       GLN  35  -9.612   9.776   5.199
  232   2HG   GLN  35          2HG       GLN  35 -10.108   8.592   3.989
  233   1HE2  GLN  35          1HE2      GLN  35 -10.576   9.128   7.539
  234   2HE2  GLN  35          2HE2      GLN  35 -12.221   8.713   7.528
  235    H    THR  36           H        THR  36  -6.298   5.613   3.593
  236    HA   THR  36           HA       THR  36  -4.048   7.208   4.650
  237    HB   THR  36           HB       THR  36  -4.164   4.371   5.579
  238    HG1  THR  36           1HG      THR  36  -5.641   4.748   7.068
  239   1HG2  THR  36          1HG2      THR  36  -2.811   6.888   6.228
  240   2HG2  THR  36          2HG2      THR  36  -2.298   5.226   6.527
  241   3HG2  THR  36          3HG2      THR  36  -3.396   6.027   7.652
  242    H    THR  37           H        THR  37  -2.136   5.121   4.543
  243    HA   THR  37           HA       THR  37  -2.392   3.835   1.887
  244    HB   THR  37           HB       THR  37  -0.219   4.980   1.207
  245    HG1  THR  37           1HG      THR  37   0.652   5.977   2.838
  246   1HG2  THR  37          1HG2      THR  37  -1.370   6.754   0.240
  247   2HG2  THR  37          2HG2      THR  37  -2.318   7.065   1.694
  248   3HG2  THR  37          3HG2      THR  37  -2.703   5.683   0.669
  249    H    THR  38           H        THR  38  -1.358   1.871   1.974
  250    HA   THR  38           HA       THR  38  -0.075   0.913   4.343
  251    HB   THR  38           HB       THR  38   0.451  -1.019   2.877
  252    HG1  THR  38           1HG      THR  38   0.979  -0.338   0.945
  253   1HG2  THR  38          1HG2      THR  38  -2.234   0.315   2.749
  254   2HG2  THR  38          2HG2      THR  38  -1.758  -1.151   3.605
  255   3HG2  THR  38          3HG2      THR  38  -1.966  -1.181   1.854
  256    H    TRP  39           H        TRP  39   1.959   1.399   5.055
  257    HA   TRP  39           HA       TRP  39   3.980   2.348   3.057
  258   1HB   TRP  39          2HB       TRP  39   3.023   3.570   5.269
  259   2HB   TRP  39          1HB       TRP  39   4.354   2.667   5.994
  260    HD1  TRP  39           HD       TRP  39   6.233   4.373   6.263
  261    HE1  TRP  39           1HE      TRP  39   7.448   6.021   4.697
  262    HE3  TRP  39           3HE      TRP  39   3.348   3.900   2.073
  263    HZ2  TRP  39           2HZ      TRP  39   7.227   7.006   2.021
  264    HZ3  TRP  39           3HZ      TRP  39   3.874   5.202   0.033
  265    HH2  TRP  39           HH       TRP  39   5.807   6.755   0.000
  266    H    GLN  40           H        GLN  40   3.226  -0.521   4.016
  267    HA   GLN  40           HA       GLN  40   5.891  -1.604   3.978
  268   1HB   GLN  40          2HB       GLN  40   5.881  -2.393   6.368
  269   2HB   GLN  40          1HB       GLN  40   5.986  -0.641   6.210
  270   1HG   GLN  40          1HG       GLN  40   3.539  -0.472   6.558
  271   2HG   GLN  40          2HG       GLN  40   3.453  -2.223   6.747
  272   1HE2  GLN  40          1HE2      GLN  40   4.055   0.738   8.417
  273   2HE2  GLN  40          2HE2      GLN  40   4.580   0.061   9.882
  274    H    ASP  41           H        ASP  41   2.548  -2.061   4.998
  275    HA   ASP  41           HA       ASP  41   2.145  -4.379   3.348
  276   1HB   ASP  41          2HB       ASP  41   2.034  -6.040   5.245
  277   2HB   ASP  41          1HB       ASP  41   3.658  -5.429   4.932
  278    HA   PRO  42           HA       PRO  42  -1.875  -2.844   4.546
  279   1HB   PRO  42          1HB       PRO  42  -3.374  -4.495   2.964
  280   2HB   PRO  42          2HB       PRO  42  -2.507  -3.083   2.335
  281   1HG   PRO  42          2HG       PRO  42  -1.783  -5.965   2.219
  282   2HG   PRO  42          1HG       PRO  42  -1.550  -4.695   1.011
  283   1HD   PRO  42          1HD       PRO  42   0.429  -5.645   2.663
  284   2HD   PRO  42          2HD       PRO  42   0.436  -4.031   1.921
  285    H    ARG  43           H        ARG  43  -0.823  -6.172   4.743
  286    HA   ARG  43           HA       ARG  43  -2.404  -6.570   7.190
  287   1HB   ARG  43          1HB       ARG  43  -3.560  -7.144   4.737
  288   2HB   ARG  43          2HB       ARG  43  -2.928  -8.709   5.246
  289   1HG   ARG  43          1HG       ARG  43  -4.009  -7.995   7.571
  290   2HG   ARG  43          2HG       ARG  43  -5.023  -6.999   6.527
  291   1HD   ARG  43          1HD       ARG  43  -4.724  -9.691   5.444
  292   2HD   ARG  43          2HD       ARG  43  -5.414  -9.715   7.078
  293    HE   ARG  43           HE       ARG  43  -6.593  -7.600   5.502
  294   1HH1  ARG  43          1HH2      ARG  43  -6.610 -11.048   5.987
  295   2HH1  ARG  43          2HH2      ARG  43  -8.240 -11.228   5.434
  296   1HH2  ARG  43          1HH1      ARG  43  -8.705  -7.860   4.789
  297   2HH2  ARG  43          2HH1      ARG  43  -9.418  -9.437   4.760
  298    H    LYS  44           H        LYS  44  -0.199  -6.893   8.009
  299    HA   LYS  44           HA       LYS  44   0.839  -9.634   7.404
  300   1HB   LYS  44          1HB       LYS  44   2.085  -6.977   7.042
  301   2HB   LYS  44          2HB       LYS  44   3.107  -8.163   7.854
  302   1HG   LYS  44          2HG       LYS  44   2.032  -9.657   5.815
  303   2HG   LYS  44          1HG       LYS  44   2.191  -8.074   5.053
  304   1HD   LYS  44          1HD       LYS  44   4.554  -8.589   6.597
  305   2HD   LYS  44          2HD       LYS  44   4.244  -9.981   5.560
  306   1HE   LYS  44          1HE       LYS  44   4.826  -8.818   3.695
  307   2HE   LYS  44          2HE       LYS  44   3.819  -7.436   4.165
  308   1HZ   LYS  44          1HZ       LYS  44   5.578  -7.026   5.930
  309   2HZ   LYS  44          2HZ       LYS  44   6.021  -6.666   4.329
  310   3HZ   LYS  44          3HZ       LYS  44   6.567  -8.099   5.064
  311   1HN   NH2  45          1HN       NH2  45   2.210 -10.474   9.252
  312   2HN   NH2  45          2HN       NH2  45   1.957  -9.871  10.818
  313    H    GLY  45           H        GLY  45  14.837  13.921   2.599
  314   1HA   GLY  45          2HA       GLY  45  14.170  11.846   3.859
  315   2HA   GLY  45          1HA       GLY  45  12.923  13.083   4.026
  316    H    THR  46           H        THR  46  11.621  10.983   4.350
  317    HA   THR  46           HA       THR  46  10.754   9.904   1.686
  318    HB   THR  46           HB       THR  46  10.360   8.605   4.385
  319    HG1  THR  46           1HG      THR  46  12.519   8.831   4.320
  320   1HG2  THR  46          1HG2      THR  46  10.241   6.574   3.069
  321   2HG2  THR  46          2HG2      THR  46  10.719   7.442   1.611
  322   3HG2  THR  46          3HG2      THR  46   9.151   7.761   2.353
  323    HA   PRO  47           HA       PRO  47   7.185  12.280   3.345
  324   1HB   PRO  47          2HB       PRO  47   6.258  13.083   0.899
  325   2HB   PRO  47          1HB       PRO  47   7.515  13.960   1.793
  326   1HG   PRO  47          2HG       PRO  47   7.776  12.059  -0.487
  327   2HG   PRO  47          1HG       PRO  47   8.669  13.550  -0.156
  328   1HD   PRO  47          1HD       PRO  47   9.657  11.046   0.327
  329   2HD   PRO  47          2HD       PRO  47  10.161  12.493   1.225
  330    HA   PRO  48           HA       PRO  48   4.406   8.930   2.578
  331   1HB   PRO  48          2HB       PRO  48   2.044  10.109   3.302
  332   2HB   PRO  48          1HB       PRO  48   3.263   9.582   4.478
  333   1HG   PRO  48          2HG       PRO  48   2.691  12.310   3.422
  334   2HG   PRO  48          1HG       PRO  48   3.123  11.804   5.061
  335   1HD   PRO  48          1HD       PRO  48   4.889  12.928   3.304
  336   2HD   PRO  48          2HD       PRO  48   5.368  11.818   4.605
  337    HA   PRO  49           HA       PRO  49   2.467   9.553  -1.326
  338   1HB   PRO  49          2HB       PRO  49   0.108   8.177  -1.150
  339   2HB   PRO  49          1HB       PRO  49   1.686   7.376  -1.257
  340   1HG   PRO  49          2HG       PRO  49  -0.030   7.858   1.123
  341   2HG   PRO  49          1HG       PRO  49   0.955   6.449   0.708
  342   1HD   PRO  49          2HD       PRO  49   1.712   8.357   2.515
  343   2HD   PRO  49          1HD       PRO  49   2.861   7.373   1.583
  344    HA   PRO  50           HA       PRO  50  -0.391  12.896  -1.155
  345   1HB   PRO  50          2HB       PRO  50  -1.875  12.574  -3.433
  346   2HB   PRO  50          1HB       PRO  50  -0.187  13.126  -3.447
  347   1HG   PRO  50          2HG       PRO  50  -1.295  10.416  -3.994
  348   2HG   PRO  50          1HG       PRO  50   0.021  11.282  -4.802
  349   1HD   PRO  50          1HD       PRO  50   0.437   9.319  -2.966
  350   2HD   PRO  50          2HD       PRO  50   1.572  10.658  -3.237
  351    H    TYR  51           H        TYR  51  -3.059  13.071  -1.970
  352    HA   TYR  51           HA       TYR  51  -5.231  12.601  -1.166
  353   1HB   TYR  51          2HB       TYR  51  -4.765  10.648  -2.626
  354   2HB   TYR  51          1HB       TYR  51  -4.050   9.804  -1.252
  355    HD1  TYR  51           1HD      TYR  51  -5.409   8.725   0.386
  356    HD2  TYR  51           2HD      TYR  51  -7.202  11.291  -2.555
  357    HE1  TYR  51           1HE      TYR  51  -7.660   7.949   1.081
  358    HE2  TYR  51           2HE      TYR  51  -9.452  10.515  -1.861
  359    HH   TYR  51           HH       TYR  51 -10.539   9.511   0.058
  360    H    THR  52           H        THR  52  -4.314  13.683   0.906
  361    HA   THR  52           HA       THR  52  -3.889  11.773   3.147
  362    HB   THR  52           HB       THR  52  -3.905  14.774   3.347
  363    HG1  THR  52           1HG      THR  52  -2.510  14.799   1.786
  364   1HG2  THR  52          1HG2      THR  52  -3.043  14.244   5.352
  365   2HG2  THR  52          2HG2      THR  52  -1.649  13.537   4.535
  366   3HG2  THR  52          3HG2      THR  52  -3.044  12.532   4.927
  367    H    VAL  53           H        VAL  53  -4.987  12.899   5.288
  368    HA   VAL  53           HA       VAL  53  -7.757  12.345   5.190
  369    HB   VAL  53           HB       VAL  53  -6.384  12.421   7.225
  370   1HG1  VAL  53          1HG1      VAL  53  -6.415  15.363   7.428
  371   2HG1  VAL  53          2HG1      VAL  53  -5.362  14.737   6.160
  372   3HG1  VAL  53          3HG1      VAL  53  -5.132  14.221   7.830
  373   1HG2  VAL  53          1HG2      VAL  53  -8.356  14.658   7.587
  374   2HG2  VAL  53          2HG2      VAL  53  -8.032  13.278   8.638
  375   3HG2  VAL  53          3HG2      VAL  53  -8.938  13.054   7.142
  376    H    GLY  54           H        GLY  54  -9.530  13.575   4.607
  377   1HA   GLY  54          2HA       GLY  54  -9.165  16.020   3.136
  378   2HA   GLY  54          1HA       GLY  54 -10.719  15.356   3.642
  Start of MODEL    2
    1    H    PHE   5           H        PHE   5  -6.193 -16.315  -6.358
    2    HA   PHE   5           HA       PHE   5  -5.459 -14.955  -3.800
    3   1HB   PHE   5          2HB       PHE   5  -4.641 -17.361  -5.316
    4   2HB   PHE   5          1HB       PHE   5  -3.314 -16.473  -4.568
    5    HD1  PHE   5           1HD      PHE   5  -6.866 -17.088  -3.525
    6    HD2  PHE   5           2HD      PHE   5  -2.699 -17.522  -2.575
    7    HE1  PHE   5           1HE      PHE   5  -7.467 -18.044  -1.317
    8    HE2  PHE   5           2HE      PHE   5  -3.301 -18.479  -0.367
    9    HZ   PHE   5           HZ       PHE   5  -5.686 -18.739   0.262
   10    H    GLU   6           H        GLU   6  -4.351 -13.047  -3.972
   11    HA   GLU   6           HA       GLU   6  -3.413 -12.071  -6.563
   12   1HB   GLU   6          2HB       GLU   6  -3.479 -11.095  -3.709
   13   2HB   GLU   6          1HB       GLU   6  -2.629 -10.178  -4.954
   14   1HG   GLU   6          2HG       GLU   6  -4.804  -9.254  -4.964
   15   2HG   GLU   6          1HG       GLU   6  -4.819 -10.385  -6.319
   16    H    ILE   7           H        ILE   7  -1.068 -10.805  -6.122
   17    HA   ILE   7           HA       ILE   7   0.951 -12.739  -6.405
   18    HB   ILE   7           HB       ILE   7   2.457 -10.796  -5.877
   19   1HG1  ILE   7          1HG1      ILE   7   0.404  -8.798  -5.650
   20   2HG1  ILE   7          2HG1      ILE   7   0.175  -9.993  -4.372
   21   1HG2  ILE   7          1HG2      ILE   7   0.538 -11.065  -7.938
   22   2HG2  ILE   7          2HG2      ILE   7   2.031 -10.126  -7.983
   23   3HG2  ILE   7          3HG2      ILE   7   0.525  -9.363  -7.474
   24   1HD1  ILE   7          1HD1      ILE   7   2.314  -9.615  -3.468
   25   2HD1  ILE   7          2HD1      ILE   7   1.792  -7.995  -3.930
   26   3HD1  ILE   7          3HD1      ILE   7   2.916  -8.885  -4.957
   27    HA   PRO   8           HA       PRO   8   1.426 -14.165  -2.239
   28   1HB   PRO   8          1HB       PRO   8   3.846 -15.419  -2.505
   29   2HB   PRO   8          2HB       PRO   8   2.326 -16.099  -3.113
   30   1HG   PRO   8          2HG       PRO   8   4.502 -14.691  -4.577
   31   2HG   PRO   8          1HG       PRO   8   3.493 -16.051  -5.089
   32   1HD   PRO   8          1HD       PRO   8   3.106 -13.457  -5.893
   33   2HD   PRO   8          2HD       PRO   8   1.835 -14.696  -5.861
   34    H    ASP   9           H        ASP   9   4.869 -13.784  -2.905
   35    HA   ASP   9           HA       ASP   9   6.482 -12.318  -2.017
   36   1HB   ASP   9          2HB       ASP   9   4.711 -10.721  -3.064
   37   2HB   ASP   9          1HB       ASP   9   4.212 -10.426  -1.399
   38    H    ASP  10           H        ASP  10   3.610 -11.603   0.013
   39    HA   ASP  10           HA       ASP  10   4.732 -13.064   2.289
   40   1HB   ASP  10          2HB       ASP  10   5.420 -10.337   1.761
   41   2HB   ASP  10          1HB       ASP  10   4.414 -10.382   3.209
   42    H    VAL  11           H        VAL  11   2.431 -10.617   1.189
   43    HA   VAL  11           HA       VAL  11   0.291 -12.005   2.740
   44    HB   VAL  11           HB       VAL  11  -0.470  -9.784   3.548
   45   1HG1  VAL  11          1HG2      VAL  11   2.427  -9.838   4.264
   46   2HG1  VAL  11          2HG2      VAL  11   1.479 -11.285   4.604
   47   3HG1  VAL  11          3HG2      VAL  11   1.013  -9.740   5.314
   48   1HG2  VAL  11          1HG1      VAL  11   1.317  -7.922   3.274
   49   2HG2  VAL  11          2HG1      VAL  11   0.262  -8.260   1.902
   50   3HG2  VAL  11          3HG1      VAL  11   1.909  -8.891   1.925
   51    HA   PRO  12           HA       PRO  12  -2.058 -11.301  -0.908
   52   1HB   PRO  12          1HB       PRO  12  -4.586 -10.972   0.080
   53   2HB   PRO  12          2HB       PRO  12  -3.759 -12.540   0.043
   54   1HG   PRO  12          2HG       PRO  12  -4.148 -10.649   2.309
   55   2HG   PRO  12          1HG       PRO  12  -4.180 -12.418   2.298
   56   1HD   PRO  12          2HD       PRO  12  -2.051 -10.920   3.163
   57   2HD   PRO  12          1HD       PRO  12  -1.915 -12.579   2.542
   58    H    LEU  13           H        LEU  13  -2.159  -9.465  -2.144
   59    HA   LEU  13           HA       LEU  13  -1.931  -6.816  -1.215
   60   1HB   LEU  13          1HB       LEU  13  -1.774  -7.980  -3.575
   61   2HB   LEU  13          2HB       LEU  13  -3.475  -7.533  -3.700
   62    HG   LEU  13           HG       LEU  13  -1.486  -5.465  -2.823
   63   1HD1  LEU  13          1HD2      LEU  13  -1.349  -4.862  -5.322
   64   2HD1  LEU  13          2HD2      LEU  13  -1.901  -6.509  -5.626
   65   3HD1  LEU  13          3HD2      LEU  13  -0.379  -6.232  -4.779
   66   1HD2  LEU  13          1HD1      LEU  13  -3.206  -4.041  -3.242
   67   2HD2  LEU  13          2HD1      LEU  13  -4.210  -5.490  -3.219
   68   3HD2  LEU  13          3HD1      LEU  13  -3.623  -4.849  -4.754
   69    HA   PRO  14           HA       PRO  14  -5.958  -6.012   0.427
   70   1HB   PRO  14          2HB       PRO  14  -5.976  -3.286   0.241
   71   2HB   PRO  14          1HB       PRO  14  -5.066  -4.165   1.473
   72   1HG   PRO  14          1HG       PRO  14  -4.117  -2.987  -1.104
   73   2HG   PRO  14          2HG       PRO  14  -3.354  -2.953   0.495
   74   1HD   PRO  14          2HD       PRO  14  -2.571  -4.655  -1.446
   75   2HD   PRO  14          1HD       PRO  14  -2.509  -5.087   0.274
   76    H    ALA  15           H        ALA  15  -7.992  -5.947  -0.468
   77    HA   ALA  15           HA       ALA  15  -8.231  -5.613  -3.384
   78   1HB   ALA  15          1HB       ALA  15  -9.601  -6.872  -1.141
   79   2HB   ALA  15          2HB       ALA  15  -9.592  -7.329  -2.846
   80   3HB   ALA  15          3HB       ALA  15 -10.725  -6.109  -2.264
   81    H    GLY  16           H        GLY  16  -9.097  -3.851  -4.393
   82   1HA   GLY  16          1HA       GLY  16 -10.530  -1.962  -4.668
   83   2HA   GLY  16          2HA       GLY  16 -10.938  -2.052  -2.954
   84    H    TRP  17           H        TRP  17  -7.603  -2.223  -3.894
   85    HA   TRP  17           HA       TRP  17  -7.174   0.503  -2.739
   86   1HB   TRP  17          1HB       TRP  17  -5.598  -2.078  -2.819
   87   2HB   TRP  17          2HB       TRP  17  -4.850  -0.552  -2.347
   88    HD1  TRP  17           HD       TRP  17  -8.245  -2.201  -1.445
   89    HE1  TRP  17           1HE      TRP  17  -8.547  -2.071   1.106
   90    HE3  TRP  17           3HE      TRP  17  -3.835  -0.013  -0.169
   91    HZ2  TRP  17           2HZ      TRP  17  -7.089  -1.157   3.397
   92    HZ3  TRP  17           3HZ      TRP  17  -3.301   0.453   2.211
   93    HH2  TRP  17           HH       TRP  17  -4.924  -0.119   3.989
   94    H    GLU  18           H        GLU  18  -5.984   1.994  -3.946
   95    HA   GLU  18           HA       GLU  18  -5.282   1.177  -6.739
   96   1HB   GLU  18          1HB       GLU  18  -5.469   3.625  -7.155
   97   2HB   GLU  18          2HB       GLU  18  -6.942   2.968  -6.444
   98   1HG   GLU  18          2HG       GLU  18  -5.164   3.716  -4.326
   99   2HG   GLU  18          1HG       GLU  18  -5.303   5.071  -5.442
  100    H    MET  19           H        MET  19  -3.437   0.390  -4.838
  101    HA   MET  19           HA       MET  19  -1.410   1.983  -3.919
  102   1HB   MET  19          2HB       MET  19  -0.051   0.065  -4.038
  103   2HB   MET  19          1HB       MET  19  -1.697  -0.508  -3.860
  104   1HG   MET  19          2HG       MET  19  -0.384  -0.236  -6.577
  105   2HG   MET  19          1HG       MET  19  -0.230  -1.698  -5.615
  106   1HE   MET  19          1HE       MET  19  -2.136  -2.837  -4.514
  107   2HE   MET  19          2HE       MET  19  -3.783  -2.950  -5.130
  108   3HE   MET  19          3HE       MET  19  -3.305  -1.557  -4.165
  109    H    ALA  20           H        ALA  20   0.310   3.132  -4.709
  110    HA   ALA  20           HA       ALA  20   0.902   3.059  -7.628
  111   1HB   ALA  20          1HB       ALA  20   0.337   5.574  -6.024
  112   2HB   ALA  20          2HB       ALA  20  -0.848   4.792  -7.068
  113   3HB   ALA  20          3HB       ALA  20   0.623   5.474  -7.761
  114    H    LYS  21           H        LYS  21   2.528   5.569  -7.195
  115    HA   LYS  21           HA       LYS  21   4.638   4.500  -5.362
  116   1HB   LYS  21          1HB       LYS  21   4.953   5.522  -8.205
  117   2HB   LYS  21          2HB       LYS  21   6.283   5.049  -7.148
  118   1HG   LYS  21          1HG       LYS  21   6.023   2.933  -7.873
  119   2HG   LYS  21          2HG       LYS  21   4.449   2.906  -7.078
  120   1HD   LYS  21          2HD       LYS  21   3.304   3.261  -9.036
  121   2HD   LYS  21          1HD       LYS  21   4.580   4.266  -9.721
  122   1HE   LYS  21          2HE       LYS  21   5.928   1.966  -9.713
  123   2HE   LYS  21          1HE       LYS  21   4.292   1.283  -9.761
  124   1HZ   LYS  21          1HZ       LYS  21   4.911   1.720 -11.998
  125   2HZ   LYS  21          2HZ       LYS  21   5.492   3.271 -11.616
  126   3HZ   LYS  21          3HZ       LYS  21   3.824   2.948 -11.563
  127    H    THR  22           H        THR  22   5.488   6.090  -4.064
  128    HA   THR  22           HA       THR  22   4.401   8.706  -3.910
  129    HB   THR  22           HB       THR  22   6.283   9.071  -2.363
  130    HG1  THR  22           1HG      THR  22   7.783   7.193  -2.272
  131   1HG2  THR  22          1HG2      THR  22   4.330   7.236  -2.065
  132   2HG2  THR  22          2HG2      THR  22   5.548   7.540  -0.826
  133   3HG2  THR  22          3HG2      THR  22   5.738   6.182  -1.936
  134    H    SER  23           H        SER  23   5.895  10.736  -4.113
  135    HA   SER  23           HA       SER  23   6.600  11.122  -6.860
  136   1HB   SER  23          2HB       SER  23   5.923  12.784  -5.011
  137   2HB   SER  23          1HB       SER  23   7.609  12.715  -4.496
  138    HG   SER  23           HG       SER  23   7.593  14.329  -5.928
  139    H    ESD  24           H        ESD  24   8.600  10.529  -3.962
  140   1HG   ESD  24          1HG       ESD  24  10.374  11.231  -3.026
  141   2HG   ESD  24          2HG       ESD  24  12.012  11.070  -3.662
  142   2HD   ESD  24          2HD       ESD  24  11.055  10.441  -5.627
  143   1HD   ESD  24          1HD       ESD  24  10.576   8.938  -4.814
  144   2HA   ESD  24          2HA       ESD  24  13.713   8.386  -2.415
  145   1HA   ESD  24          1HA       ESD  24  13.087   9.034  -3.973
  146    H    GLY  25           H        GLY  25  10.936   6.826  -3.391
  147   1HA   GLY  25          2HA       GLY  25  10.615   5.924  -5.851
  148   2HA   GLY  25          1HA       GLY  25  12.240   5.296  -5.582
  149    H    GLN  26           H        GLN  26   8.867   4.905  -4.823
  150    HA   GLN  26           HA       GLN  26   9.241   2.152  -4.017
  151   1HB   GLN  26          2HB       GLN  26  10.135   3.474  -2.061
  152   2HB   GLN  26          1HB       GLN  26   8.518   4.143  -1.846
  153   1HG   GLN  26          2HG       GLN  26   8.630   2.280  -0.362
  154   2HG   GLN  26          1HG       GLN  26   7.694   1.718  -1.746
  155   1HE2  GLN  26          1HE2      GLN  26  10.310   0.902   0.232
  156   2HE2  GLN  26          2HE2      GLN  26  11.076  -0.206  -0.802
  157    H    ARG  27           H        ARG  27   7.156   1.122  -3.559
  158    HA   ARG  27           HA       ARG  27   4.839   2.752  -4.531
  159   1HB   ARG  27          2HB       ARG  27   5.320  -0.246  -4.491
  160   2HB   ARG  27          1HB       ARG  27   3.958   0.571  -5.259
  161   1HG   ARG  27          2HG       ARG  27   5.210   0.744  -7.125
  162   2HG   ARG  27          1HG       ARG  27   6.261   1.857  -6.248
  163   1HD   ARG  27          1HD       ARG  27   7.713   0.116  -7.019
  164   2HD   ARG  27          2HD       ARG  27   7.409  -0.280  -5.317
  165    HE   ARG  27           HE       ARG  27   6.140  -2.145  -6.044
  166   1HH1  ARG  27          1HH2      ARG  27   6.572   0.148  -8.630
  167   2HH1  ARG  27          2HH2      ARG  27   5.842  -0.883  -9.811
  168   1HH2  ARG  27          1HH1      ARG  27   5.198  -3.463  -7.597
  169   2HH2  ARG  27          2HH1      ARG  27   5.070  -2.912  -9.233
  170    H    TYR  28           H        TYR  28   2.736   2.285  -3.487
  171    HA   TYR  28           HA       TYR  28   2.840   0.917  -0.851
  172   1HB   TYR  28          1HB       TYR  28   2.033   2.945   0.291
  173   2HB   TYR  28          2HB       TYR  28   3.560   3.284  -0.523
  174    HD1  TYR  28           1HD      TYR  28   0.182   4.363  -0.104
  175    HD2  TYR  28           2HD      TYR  28   3.363   4.186  -2.986
  176    HE1  TYR  28           1HE      TYR  28  -0.867   6.200  -1.390
  177    HE2  TYR  28           2HE      TYR  28   2.302   6.015  -4.272
  178    HH   TYR  28           HH       TYR  28   0.766   7.780  -4.015
  179    H    PHE  29           H        PHE  29   0.685   0.518  -0.002
  180    HA   PHE  29           HA       PHE  29  -1.324   0.365  -2.162
  181   1HB   PHE  29          2HB       PHE  29  -1.231  -0.806   0.627
  182   2HB   PHE  29          1HB       PHE  29  -2.418  -1.209  -0.615
  183    HD1  PHE  29           1HD      PHE  29  -1.856  -2.600  -2.499
  184    HD2  PHE  29           2HD      PHE  29   1.162  -1.329   0.273
  185    HE1  PHE  29           1HE      PHE  29  -0.234  -4.163  -3.540
  186    HE2  PHE  29           2HE      PHE  29   2.784  -2.891  -0.756
  187    HZ   PHE  29           HZ       PHE  29   2.083  -4.316  -2.667
  188    H    LEU  30           H        LEU  30  -1.822   2.524  -2.244
  189    HA   LEU  30           HA       LEU  30  -2.619   4.293  -0.218
  190   1HB   LEU  30          2HB       LEU  30  -2.261   4.282  -2.889
  191   2HB   LEU  30          1HB       LEU  30  -4.017   4.216  -2.846
  192    HG   LEU  30           HG       LEU  30  -2.744   6.201  -1.039
  193   1HD1  LEU  30          1HD2      LEU  30  -3.228   7.214  -3.762
  194   2HD1  LEU  30          2HD2      LEU  30  -1.853   6.116  -3.645
  195   3HD1  LEU  30          3HD2      LEU  30  -1.905   7.572  -2.650
  196   1HD2  LEU  30          1HD1      LEU  30  -5.170   5.940  -1.118
  197   2HD2  LEU  30          2HD1      LEU  30  -5.162   6.190  -2.863
  198   3HD2  LEU  30          3HD1      LEU  30  -4.723   7.511  -1.781
  199    H    ASN  31           H        ASN  31  -4.171   3.730   1.322
  200    HA   ASN  31           HA       ASN  31  -6.429   1.972   0.650
  201   1HB   ASN  31          1HB       ASN  31  -5.070   2.099   2.825
  202   2HB   ASN  31          2HB       ASN  31  -5.947   3.583   3.162
  203   1HD2  ASN  31          1HD2      ASN  31  -6.215   1.227   4.806
  204   2HD2  ASN  31          2HD2      ASN  31  -7.809   0.667   4.650
  205    H    HIS  32           H        HIS  32  -6.643   4.210  -0.997
  206    HA   HIS  32           HA       HIS  32  -8.085   6.439   0.013
  207   1HB   HIS  32          1HB       HIS  32  -7.022   5.826  -2.319
  208   2HB   HIS  32          2HB       HIS  32  -8.633   5.205  -2.674
  209    HD1  HIS  32           1HD      HIS  32 -10.624   7.062  -1.983
  210    HD2  HIS  32           2HD      HIS  32  -6.821   8.519  -2.870
  211    HE1  HIS  32           1HE      HIS  32 -10.907   9.520  -2.524
  212    H    ILE  33           H        ILE  33  -9.136   3.190  -0.874
  213    HA   ILE  33           HA       ILE  33 -11.891   3.436  -1.148
  214    HB   ILE  33           HB       ILE  33 -10.734   1.348  -1.369
  215   1HG1  ILE  33          2HG1      ILE  33 -12.143   0.390   0.952
  216   2HG1  ILE  33          1HG1      ILE  33 -13.088   1.634   0.135
  217   1HG2  ILE  33          1HG2      ILE  33 -10.279   1.093   1.568
  218   2HG2  ILE  33          2HG2      ILE  33  -9.102   1.941   0.570
  219   3HG2  ILE  33          3HG2      ILE  33  -9.480   0.253   0.241
  220   1HD1  ILE  33          1HD1      ILE  33 -11.853  -0.768  -1.243
  221   2HD1  ILE  33          2HD1      ILE  33 -12.914   0.432  -1.981
  222   3HD1  ILE  33          3HD1      ILE  33 -13.541  -0.661  -0.747
  223    H    ASP  34           H        ASP  34 -10.183   3.036   1.949
  224    HA   ASP  34           HA       ASP  34 -12.250   4.667   3.303
  225   1HB   ASP  34          1HB       ASP  34 -13.153   2.379   3.203
  226   2HB   ASP  34          2HB       ASP  34 -11.684   1.757   3.951
  227    H    GLN  35           H        GLN  35  -9.333   4.953   2.874
  228    HA   GLN  35           HA       GLN  35  -8.537   5.750   5.514
  229   1HB   GLN  35          2HB       GLN  35  -8.354   2.978   4.965
  230   2HB   GLN  35          1HB       GLN  35  -6.702   3.591   4.935
  231   1HG   GLN  35          2HG       GLN  35  -7.190   4.747   7.131
  232   2HG   GLN  35          1HG       GLN  35  -8.723   3.875   7.172
  233   1HE2  GLN  35          1HE2      GLN  35  -8.564   1.433   7.166
  234   2HE2  GLN  35          2HE2      GLN  35  -7.185   0.700   7.831
  235    H    THR  36           H        THR  36  -5.685   5.226   5.155
  236    HA   THR  36           HA       THR  36  -5.156   6.836   2.675
  237    HB   THR  36           HB       THR  36  -3.400   7.951   4.057
  238    HG1  THR  36           1HG      THR  36  -2.973   6.401   5.565
  239   1HG2  THR  36          1HG2      THR  36  -5.424   8.601   5.885
  240   2HG2  THR  36          2HG2      THR  36  -6.274   8.113   4.419
  241   3HG2  THR  36          3HG2      THR  36  -5.084   9.413   4.357
  242    H    THR  37           H        THR  37  -2.411   6.794   2.688
  243    HA   THR  37           HA       THR  37  -1.722   4.260   1.606
  244    HB   THR  37           HB       THR  37   0.541   5.143   1.618
  245    HG1  THR  37           1HG      THR  37   1.017   5.930   3.520
  246   1HG2  THR  37          1HG2      THR  37  -1.500   6.413   0.434
  247   2HG2  THR  37          2HG2      THR  37   0.155   7.015   0.344
  248   3HG2  THR  37          3HG2      THR  37  -0.973   7.708   1.508
  249    H    THR  38           H        THR  38  -1.162   2.349   2.588
  250    HA   THR  38           HA       THR  38  -1.145   2.200   5.527
  251    HB   THR  38           HB       THR  38  -0.635  -0.302   4.709
  252    HG1  THR  38           1HG      THR  38  -1.592  -0.547   2.631
  253   1HG2  THR  38          1HG2      THR  38  -3.288   1.089   4.268
  254   2HG2  THR  38          2HG2      THR  38  -2.693   0.518   5.826
  255   3HG2  THR  38          3HG2      THR  38  -3.050  -0.637   4.543
  256    H    TRP  39           H        TRP  39   1.131   1.211   2.931
  257    HA   TRP  39           HA       TRP  39   3.482   0.946   2.999
  258   1HB   TRP  39          2HB       TRP  39   2.877   3.433   3.707
  259   2HB   TRP  39          1HB       TRP  39   3.498   2.907   5.271
  260    HD1  TRP  39           HD       TRP  39   6.053   1.941   5.293
  261    HE1  TRP  39           1HE      TRP  39   8.073   2.593   3.830
  262    HE3  TRP  39           3HE      TRP  39   3.635   4.243   1.432
  263    HZ2  TRP  39           2HZ      TRP  39   8.593   3.918   1.346
  264    HZ3  TRP  39           3HZ      TRP  39   4.913   5.188  -0.468
  265    HH2  TRP  39           HH       TRP  39   7.387   5.030  -0.516
  266    H    GLN  40           H        GLN  40   1.680  -0.609   4.926
  267    HA   GLN  40           HA       GLN  40   3.822  -1.852   6.453
  268   1HB   GLN  40          1HB       GLN  40   3.407   0.207   7.747
  269   2HB   GLN  40          2HB       GLN  40   1.702  -0.224   7.880
  270   1HG   GLN  40          1HG       GLN  40   2.869  -2.511   8.790
  271   2HG   GLN  40          2HG       GLN  40   4.045  -1.312   9.326
  272   1HE2  GLN  40          1HE2      GLN  40   2.807  -2.444  11.421
  273   2HE2  GLN  40          2HE2      GLN  40   1.572  -1.467  12.054
  274    H    ASP  41           H        ASP  41   0.328  -1.459   6.010
  275    HA   ASP  41           HA       ASP  41  -0.511  -3.842   7.308
  276   1HB   ASP  41          2HB       ASP  41  -1.559  -1.860   5.422
  277   2HB   ASP  41          1HB       ASP  41  -2.267  -3.458   5.194
  278    HA   PRO  42           HA       PRO  42  -0.117  -6.300   3.296
  279   1HB   PRO  42          2HB       PRO  42   0.663  -5.084   0.978
  280   2HB   PRO  42          1HB       PRO  42  -1.028  -5.178   1.495
  281   1HG   PRO  42          1HG       PRO  42   0.878  -2.908   1.651
  282   2HG   PRO  42          2HG       PRO  42  -0.860  -2.899   1.324
  283   1HD   PRO  42          1HD       PRO  42   0.285  -2.257   3.745
  284   2HD   PRO  42          2HD       PRO  42  -1.384  -2.817   3.524
  285    H    ARG  43           H        ARG  43   1.922  -6.511   1.381
  286    HA   ARG  43           HA       ARG  43   4.457  -5.529   2.487
  287   1HB   ARG  43          2HB       ARG  43   3.691  -7.416   3.983
  288   2HB   ARG  43          1HB       ARG  43   3.795  -8.488   2.585
  289   1HG   ARG  43          1HG       ARG  43   5.989  -8.758   3.020
  290   2HG   ARG  43          2HG       ARG  43   6.231  -7.049   2.661
  291   1HD   ARG  43          2HD       ARG  43   5.869  -6.441   4.982
  292   2HD   ARG  43          1HD       ARG  43   5.383  -8.101   5.385
  293    HE   ARG  43           HE       ARG  43   7.929  -8.243   4.143
  294   1HH1  ARG  43          1HH2      ARG  43   6.476  -6.950   7.030
  295   2HH1  ARG  43          2HH2      ARG  43   7.924  -7.108   7.962
  296   1HH2  ARG  43          1HH1      ARG  43   9.796  -8.437   5.373
  297   2HH2  ARG  43          2HH1      ARG  43   9.791  -7.942   7.034
  298    H    LYS  44           H        LYS  44   4.642  -4.803   0.245
  299    HA   LYS  44           HA       LYS  44   5.993  -6.697  -1.483
  300   1HB   LYS  44          2HB       LYS  44   3.712  -7.486  -1.802
  301   2HB   LYS  44          1HB       LYS  44   3.148  -5.845  -2.108
  302   1HG   LYS  44          1HG       LYS  44   3.406  -6.942  -4.247
  303   2HG   LYS  44          2HG       LYS  44   4.710  -5.765  -4.089
  304   1HD   LYS  44          1HD       LYS  44   6.124  -7.690  -3.154
  305   2HD   LYS  44          2HD       LYS  44   4.856  -8.765  -3.742
  306   1HE   LYS  44          2HE       LYS  44   6.002  -6.707  -5.616
  307   2HE   LYS  44          1HE       LYS  44   6.900  -8.208  -5.314
  308   1HZ   LYS  44          1HZ       LYS  44   4.727  -9.387  -5.695
  309   2HZ   LYS  44          2HZ       LYS  44   5.404  -8.670  -7.078
  310   3HZ   LYS  44          3HZ       LYS  44   4.104  -7.921  -6.278
  311   1HN   NH2  45          1HN       NH2  45   7.030  -5.544  -3.260
  312   2HN   NH2  45          2HN       NH2  45   6.930  -3.856  -3.424
  313    H    GLY  45           H        GLY  45  10.980  12.895  10.854
  314   1HA   GLY  45          2HA       GLY  45  12.531  11.307   9.122
  315   2HA   GLY  45          1HA       GLY  45  12.072  10.816  10.753
  316    H    THR  46           H        THR  46  12.050   9.590   7.817
  317    HA   THR  46           HA       THR  46  10.733   7.974   6.701
  318    HB   THR  46           HB       THR  46   9.474   7.653   9.434
  319    HG1  THR  46           1HG      THR  46  11.622   7.724   9.845
  320   1HG2  THR  46          1HG2      THR  46   8.496   6.146   7.906
  321   2HG2  THR  46          2HG2      THR  46   9.762   5.194   8.681
  322   3HG2  THR  46          3HG2      THR  46  10.025   5.867   7.072
  323    HA   PRO  47           HA       PRO  47   7.058  10.928   6.906
  324   1HB   PRO  47          1HB       PRO  47   7.463  12.195   4.514
  325   2HB   PRO  47          2HB       PRO  47   8.136  12.781   6.046
  326   1HG   PRO  47          2HG       PRO  47   9.446  11.234   3.860
  327   2HG   PRO  47          1HG       PRO  47  10.088  12.556   4.846
  328   1HD   PRO  47          2HD       PRO  47  10.674   9.921   5.274
  329   2HD   PRO  47          1HD       PRO  47  10.689  11.152   6.554
  330    HA   PRO  48           HA       PRO  48   5.498   7.622   4.224
  331   1HB   PRO  48          1HB       PRO  48   2.922   7.718   5.146
  332   2HB   PRO  48          2HB       PRO  48   4.222   6.859   5.994
  333   1HG   PRO  48          1HG       PRO  48   3.045   9.544   6.535
  334   2HG   PRO  48          2HG       PRO  48   3.564   8.292   7.673
  335   1HD   PRO  48          2HD       PRO  48   5.044  10.510   7.088
  336   2HD   PRO  48          1HD       PRO  48   5.754   8.967   7.607
  337    HA   PRO  49           HA       PRO  49   3.647  10.086   1.076
  338   1HB   PRO  49          2HB       PRO  49   2.018   8.288  -0.186
  339   2HB   PRO  49          1HB       PRO  49   3.785   8.256  -0.330
  340   1HG   PRO  49          2HG       PRO  49   1.995   6.581   1.352
  341   2HG   PRO  49          1HG       PRO  49   3.458   6.130   0.467
  342   1HD   PRO  49          2HD       PRO  49   3.386   6.575   3.164
  343   2HD   PRO  49          1HD       PRO  49   4.838   6.806   2.168
  344    HA   PRO  50           HA       PRO  50  -0.172  11.088   3.304
  345   1HB   PRO  50          2HB       PRO  50  -0.363  13.657   2.378
  346   2HB   PRO  50          1HB       PRO  50   0.695  13.192   3.725
  347   1HG   PRO  50          2HG       PRO  50   1.373  13.693   0.872
  348   2HG   PRO  50          1HG       PRO  50   2.273  14.113   2.336
  349   1HD   PRO  50          1HD       PRO  50   2.891  11.986   0.743
  350   2HD   PRO  50          2HD       PRO  50   3.256  12.055   2.479
  351    H    TYR  51           H        TYR  51  -2.315  12.137   2.413
  352    HA   TYR  51           HA       TYR  51  -3.332  10.629   0.263
  353   1HB   TYR  51          1HB       TYR  51  -4.105  12.814   1.994
  354   2HB   TYR  51          2HB       TYR  51  -4.727  13.088   0.367
  355    HD1  TYR  51           1HD      TYR  51  -5.429  11.554   3.432
  356    HD2  TYR  51           2HD      TYR  51  -5.669  10.839  -0.796
  357    HE1  TYR  51           1HE      TYR  51  -7.191   9.854   3.821
  358    HE2  TYR  51           2HE      TYR  51  -7.431   9.137  -0.408
  359    HH   TYR  51           HH       TYR  51  -8.869   8.671   2.756
  360    H    THR  52           H        THR  52  -3.347  10.923  -1.961
  361    HA   THR  52           HA       THR  52  -2.623  13.516  -3.159
  362    HB   THR  52           HB       THR  52  -0.872  11.063  -3.527
  363    HG1  THR  52           1HG      THR  52  -0.210  11.716  -1.630
  364   1HG2  THR  52          1HG2      THR  52  -0.243  12.206  -5.370
  365   2HG2  THR  52          2HG2      THR  52   0.516  13.350  -4.263
  366   3HG2  THR  52          3HG2      THR  52  -1.115  13.653  -4.862
  367    H    VAL  53           H        VAL  53  -4.652  13.292  -4.267
  368    HA   VAL  53           HA       VAL  53  -6.072  12.580  -6.015
  369    HB   VAL  53           HB       VAL  53  -3.443  11.429  -7.010
  370   1HG1  VAL  53          1HG2      VAL  53  -4.567  12.071  -9.246
  371   2HG1  VAL  53          2HG2      VAL  53  -6.066  12.146  -8.320
  372   3HG1  VAL  53          3HG2      VAL  53  -5.170  10.631  -8.422
  373   1HG2  VAL  53          1HG1      VAL  53  -3.741  13.799  -8.297
  374   2HG2  VAL  53          2HG1      VAL  53  -2.814  13.620  -6.808
  375   3HG2  VAL  53          3HG1      VAL  53  -4.479  14.198  -6.746
  376    H    GLY  54           H        GLY  54  -6.835  10.508  -7.180
  377   1HA   GLY  54          1HA       GLY  54  -5.999   7.931  -6.196
  378   2HA   GLY  54          2HA       GLY  54  -7.449   8.473  -5.351
  Start of MODEL    3
    1    H    PHE   5           H        PHE   5  -1.441 -10.093 -11.393
    2    HA   PHE   5           HA       PHE   5   0.719 -10.796 -10.735
    3   1HB   PHE   5          2HB       PHE   5   0.467  -7.878 -10.481
    4   2HB   PHE   5          1HB       PHE   5   1.770  -8.552  -9.500
    5    HD1  PHE   5           1HD      PHE   5   3.503 -10.032 -10.599
    6    HD2  PHE   5           2HD      PHE   5   0.650  -7.745 -12.851
    7    HE1  PHE   5           1HE      PHE   5   4.904 -10.282 -12.630
    8    HE2  PHE   5           2HE      PHE   5   2.051  -7.995 -14.881
    9    HZ   PHE   5           HZ       PHE   5   4.178  -9.264 -14.771
   10    H    GLU   6           H        GLU   6  -1.345 -11.473  -8.888
   11    HA   GLU   6           HA       GLU   6  -0.995 -10.718  -6.199
   12   1HB   GLU   6          2HB       GLU   6  -1.670 -13.377  -7.498
   13   2HB   GLU   6          1HB       GLU   6  -1.886 -13.050  -5.776
   14   1HG   GLU   6          2HG       GLU   6  -3.623 -11.558  -6.134
   15   2HG   GLU   6          1HG       GLU   6  -3.053 -11.122  -7.746
   16    H    ILE   7           H        ILE   7   0.601 -11.124  -4.692
   17    HA   ILE   7           HA       ILE   7   3.040 -12.516  -5.580
   18    HB   ILE   7           HB       ILE   7   2.235 -11.014  -3.071
   19   1HG1  ILE   7          1HG1      ILE   7   4.010 -10.260  -5.417
   20   2HG1  ILE   7          2HG1      ILE   7   2.370  -9.668  -5.151
   21   1HG2  ILE   7          1HG2      ILE   7   4.954 -12.036  -3.952
   22   2HG2  ILE   7          2HG2      ILE   7   4.014 -12.652  -2.593
   23   3HG2  ILE   7          3HG2      ILE   7   4.654 -11.010  -2.549
   24   1HD1  ILE   7          1HD1      ILE   7   2.994  -8.381  -3.305
   25   2HD1  ILE   7          2HD1      ILE   7   4.421  -8.234  -4.334
   26   3HD1  ILE   7          3HD1      ILE   7   4.423  -9.361  -2.978
   27    HA   PRO   8           HA       PRO   8   1.573 -16.237  -3.545
   28   1HB   PRO   8          2HB       PRO   8   3.751 -17.793  -4.100
   29   2HB   PRO   8          1HB       PRO   8   2.492 -17.432  -5.296
   30   1HG   PRO   8          2HG       PRO   8   5.200 -16.243  -4.962
   31   2HG   PRO   8          1HG       PRO   8   4.306 -16.615  -6.444
   32   1HD   PRO   8          1HD       PRO   8   4.538 -14.099  -5.373
   33   2HD   PRO   8          2HD       PRO   8   3.214 -14.618  -6.436
   34    H    ASP   9           H        ASP   9   4.527 -14.506  -2.899
   35    HA   ASP   9           HA       ASP   9   5.773 -15.920  -0.850
   36   1HB   ASP   9          2HB       ASP   9   5.166 -12.956  -1.062
   37   2HB   ASP   9          1HB       ASP   9   6.411 -13.652  -0.025
   38    H    ASP  10           H        ASP  10   2.679 -14.230  -0.707
   39    HA   ASP  10           HA       ASP  10   1.912 -15.592   1.723
   40   1HB   ASP  10          1HB       ASP  10   3.380 -13.070   1.858
   41   2HB   ASP  10          2HB       ASP  10   1.836 -12.994   2.708
   42    H    VAL  11           H        VAL  11   1.138 -12.221   1.060
   43    HA   VAL  11           HA       VAL  11  -1.571 -13.094   0.110
   44    HB   VAL  11           HB       VAL  11  -0.738 -10.810   1.929
   45   1HG1  VAL  11          1HG2      VAL  11  -3.547 -11.638   1.166
   46   2HG1  VAL  11          2HG2      VAL  11  -2.675 -10.355   0.326
   47   3HG1  VAL  11          3HG2      VAL  11  -3.046 -10.191   2.042
   48   1HG2  VAL  11          1HG1      VAL  11  -0.792 -13.182   2.855
   49   2HG2  VAL  11          2HG1      VAL  11  -2.523 -13.186   2.513
   50   3HG2  VAL  11          3HG1      VAL  11  -1.854 -12.031   3.667
   51    HA   PRO  12           HA       PRO  12  -0.663 -10.495  -3.352
   52   1HB   PRO  12          2HB       PRO  12  -3.204 -10.124  -4.293
   53   2HB   PRO  12          1HB       PRO  12  -2.311 -11.642  -4.497
   54   1HG   PRO  12          1HG       PRO  12  -4.436 -10.935  -2.532
   55   2HG   PRO  12          2HG       PRO  12  -4.157 -12.455  -3.394
   56   1HD   PRO  12          1HD       PRO  12  -3.454 -12.027  -0.784
   57   2HD   PRO  12          2HD       PRO  12  -2.641 -13.193  -1.848
   58    H    LEU  13           H        LEU  13  -2.253  -8.423  -4.322
   59    HA   LEU  13           HA       LEU  13  -1.671  -6.265  -2.514
   60   1HB   LEU  13          1HB       LEU  13  -2.401  -6.684  -5.194
   61   2HB   LEU  13          2HB       LEU  13  -3.708  -5.710  -4.520
   62    HG   LEU  13           HG       LEU  13  -1.221  -4.678  -3.540
   63   1HD1  LEU  13          1HD1      LEU  13  -1.362  -4.808  -6.564
   64   2HD1  LEU  13          2HD1      LEU  13  -0.320  -5.849  -5.596
   65   3HD1  LEU  13          3HD1      LEU  13  -0.078  -4.103  -5.585
   66   1HD2  LEU  13          1HD2      LEU  13  -3.376  -3.463  -3.845
   67   2HD2  LEU  13          2HD2      LEU  13  -3.166  -3.577  -5.592
   68   3HD2  LEU  13          3HD2      LEU  13  -2.027  -2.637  -4.627
   69    HA   PRO  14           HA       PRO  14  -5.253  -6.204   0.044
   70   1HB   PRO  14          2HB       PRO  14  -5.598  -3.510   0.401
   71   2HB   PRO  14          1HB       PRO  14  -4.330  -4.447   1.206
   72   1HG   PRO  14          1HG       PRO  14  -4.158  -2.754  -1.255
   73   2HG   PRO  14          2HG       PRO  14  -3.046  -2.852   0.119
   74   1HD   PRO  14          2HD       PRO  14  -2.546  -4.105  -2.207
   75   2HD   PRO  14          1HD       PRO  14  -2.080  -4.812  -0.645
   76    H    ALA  15           H        ALA  15  -7.475  -6.162  -0.227
   77    HA   ALA  15           HA       ALA  15  -8.534  -5.690  -2.895
   78   1HB   ALA  15          1HB       ALA  15  -9.399  -7.504  -1.675
   79   2HB   ALA  15          2HB       ALA  15 -10.676  -6.294  -1.562
   80   3HB   ALA  15          3HB       ALA  15  -9.576  -6.544  -0.207
   81    H    GLY  16           H        GLY  16  -9.446  -3.832  -3.645
   82   1HA   GLY  16          1HA       GLY  16 -10.805  -1.875  -3.570
   83   2HA   GLY  16          2HA       GLY  16 -10.877  -2.025  -1.811
   84    H    TRP  17           H        TRP  17  -7.882  -2.202  -3.603
   85    HA   TRP  17           HA       TRP  17  -7.080   0.437  -2.425
   86   1HB   TRP  17          2HB       TRP  17  -5.736  -2.248  -2.698
   87   2HB   TRP  17          1HB       TRP  17  -4.776  -0.783  -2.480
   88    HD1  TRP  17           HD       TRP  17  -7.945  -2.281  -0.802
   89    HE1  TRP  17           1HE      TRP  17  -7.735  -1.920   1.743
   90    HE3  TRP  17           3HE      TRP  17  -3.430   0.082  -0.624
   91    HZ2  TRP  17           2HZ      TRP  17  -5.873  -0.787   3.605
   92    HZ3  TRP  17           3HZ      TRP  17  -2.458   0.773   1.541
   93    HH2  TRP  17           HH       TRP  17  -3.671   0.344   3.657
   94    H    GLU  18           H        GLU  18  -4.797   0.969  -3.651
   95    HA   GLU  18           HA       GLU  18  -4.653   0.358  -6.474
   96   1HB   GLU  18          2HB       GLU  18  -6.776   1.782  -6.156
   97   2HB   GLU  18          1HB       GLU  18  -5.685   3.116  -5.769
   98   1HG   GLU  18          1HG       GLU  18  -5.623   3.488  -8.004
   99   2HG   GLU  18          2HG       GLU  18  -4.574   2.072  -8.076
  100    H    MET  19           H        MET  19  -2.462   0.147  -5.351
  101    HA   MET  19           HA       MET  19  -0.900   2.089  -4.176
  102   1HB   MET  19          2HB       MET  19   0.942   0.815  -4.961
  103   2HB   MET  19          1HB       MET  19  -0.404  -0.306  -4.868
  104   1HG   MET  19          1HG       MET  19   0.376   1.115  -7.432
  105   2HG   MET  19          2HG       MET  19   1.020  -0.458  -6.976
  106   1HE   MET  19          1HE       MET  19  -1.901  -2.809  -6.856
  107   2HE   MET  19          2HE       MET  19  -0.603  -2.156  -5.862
  108   3HE   MET  19          3HE       MET  19  -0.249  -2.745  -7.484
  109    H    ALA  20           H        ALA  20   0.572   3.751  -5.002
  110    HA   ALA  20           HA       ALA  20   0.146   4.616  -7.822
  111   1HB   ALA  20          1HB       ALA  20  -1.445   5.536  -5.839
  112   2HB   ALA  20          2HB       ALA  20  -0.996   6.520  -7.232
  113   3HB   ALA  20          3HB       ALA  20  -0.119   6.690  -5.710
  114    H    LYS  21           H        LYS  21   2.387   3.812  -5.691
  115    HA   LYS  21           HA       LYS  21   4.643   4.418  -5.338
  116   1HB   LYS  21          1HB       LYS  21   4.113   5.960  -7.899
  117   2HB   LYS  21          2HB       LYS  21   5.687   5.434  -7.307
  118   1HG   LYS  21          1HG       LYS  21   5.403   3.372  -8.177
  119   2HG   LYS  21          2HG       LYS  21   3.820   3.210  -7.417
  120   1HD   LYS  21          1HD       LYS  21   3.060   4.864  -9.320
  121   2HD   LYS  21          2HD       LYS  21   4.519   4.294 -10.130
  122   1HE   LYS  21          1HE       LYS  21   2.668   2.255  -8.930
  123   2HE   LYS  21          2HE       LYS  21   2.229   3.001 -10.478
  124   1HZ   LYS  21          1HZ       LYS  21   3.616   1.142 -10.963
  125   2HZ   LYS  21          2HZ       LYS  21   4.761   1.602  -9.794
  126   3HZ   LYS  21          3HZ       LYS  21   4.561   2.529 -11.203
  127    H    THR  22           H        THR  22   6.101   6.478  -5.132
  128    HA   THR  22           HA       THR  22   4.408   8.686  -4.012
  129    HB   THR  22           HB       THR  22   6.595   9.054  -2.675
  130    HG1  THR  22           1HG      THR  22   8.134   7.830  -3.395
  131   1HG2  THR  22          1HG2      THR  22   5.027   8.169  -1.277
  132   2HG2  THR  22          2HG2      THR  22   6.005   6.710  -1.432
  133   3HG2  THR  22          3HG2      THR  22   4.564   6.916  -2.428
  134    H    SER  23           H        SER  23   4.610   9.168  -6.578
  135    HA   SER  23           HA       SER  23   5.509  10.578  -8.249
  136   1HB   SER  23          1HB       SER  23   5.955  12.704  -7.388
  137   2HB   SER  23          2HB       SER  23   5.090  11.965  -6.040
  138    HG   SER  23           HG       SER  23   7.141  13.035  -5.538
  139    H    ESD  24           H        ESD  24   7.062   8.288  -7.947
  140   1HG   ESD  24          1HG       ESD  24   9.421   9.395  -6.241
  141   2HG   ESD  24          2HG       ESD  24  10.939   8.967  -7.026
  142   2HD   ESD  24          2HD       ESD  24   9.641   9.165  -8.928
  143   1HD   ESD  24          1HD       ESD  24   9.205   7.491  -8.520
  144   2HA   ESD  24          2HA       ESD  24  12.220   7.897  -5.933
  145   1HA   ESD  24          1HA       ESD  24  12.030   6.274  -6.688
  146    H    GLY  25           H        GLY  25  11.025   4.400  -5.832
  147   1HA   GLY  25          2HA       GLY  25  12.222   2.504  -4.949
  148   2HA   GLY  25          1HA       GLY  25  13.305   3.612  -4.107
  149    H    GLN  26           H        GLN  26   9.745   3.590  -4.115
  150    HA   GLN  26           HA       GLN  26   9.787   2.805  -1.231
  151   1HB   GLN  26          2HB       GLN  26   9.675   5.398  -2.044
  152   2HB   GLN  26          1HB       GLN  26   7.957   4.997  -2.050
  153   1HG   GLN  26          1HG       GLN  26   8.313   5.722   0.159
  154   2HG   GLN  26          2HG       GLN  26   8.436   3.967   0.301
  155   1HE2  GLN  26          1HE2      GLN  26  10.544   3.048   0.732
  156   2HE2  GLN  26          2HE2      GLN  26  11.884   4.011   1.131
  157    H    ARG  27           H        ARG  27   7.426   3.901  -3.701
  158    HA   ARG  27           HA       ARG  27   5.421   2.905  -4.452
  159   1HB   ARG  27          1HB       ARG  27   7.411   1.031  -4.515
  160   2HB   ARG  27          2HB       ARG  27   6.227   0.230  -3.481
  161   1HG   ARG  27          1HG       ARG  27   4.495   0.517  -5.175
  162   2HG   ARG  27          2HG       ARG  27   5.601   1.442  -6.190
  163   1HD   ARG  27          2HD       ARG  27   6.641  -0.441  -6.962
  164   2HD   ARG  27          1HD       ARG  27   6.614  -1.218  -5.368
  165    HE   ARG  27           HE       ARG  27   3.951  -1.162  -6.080
  166   1HH1  ARG  27          1HH2      ARG  27   6.851  -2.266  -7.659
  167   2HH1  ARG  27          2HH2      ARG  27   6.027  -3.498  -8.550
  168   1HH2  ARG  27          1HH1      ARG  27   2.906  -2.772  -7.247
  169   2HH2  ARG  27          2HH1      ARG  27   3.811  -3.784  -8.319
  170    H    TYR  28           H        TYR  28   3.390   2.065  -3.609
  171    HA   TYR  28           HA       TYR  28   3.144   1.034  -0.926
  172   1HB   TYR  28          2HB       TYR  28   2.456   2.974   0.254
  173   2HB   TYR  28          1HB       TYR  28   3.857   3.498  -0.667
  174    HD1  TYR  28           1HD      TYR  28   2.338   3.667  -3.420
  175    HD2  TYR  28           2HD      TYR  28   1.433   5.149   0.515
  176    HE1  TYR  28           1HE      TYR  28   1.063   5.532  -4.404
  177    HE2  TYR  28           2HE      TYR  28   0.159   7.011  -0.492
  178    HH   TYR  28           HH       TYR  28  -0.167   8.164  -2.449
  179    H    PHE  29           H        PHE  29   0.972   0.563  -0.367
  180    HA   PHE  29           HA       PHE  29  -0.823   0.446  -2.713
  181   1HB   PHE  29          1HB       PHE  29  -1.051  -0.681   0.100
  182   2HB   PHE  29          2HB       PHE  29  -2.061  -1.125  -1.281
  183    HD1  PHE  29           1HD      PHE  29  -0.682  -1.797  -3.471
  184    HD2  PHE  29           2HD      PHE  29   0.809  -1.981   0.549
  185    HE1  PHE  29           1HE      PHE  29   1.075  -3.392  -4.192
  186    HE2  PHE  29           2HE      PHE  29   2.562  -3.582  -0.165
  187    HZ   PHE  29           HZ       PHE  29   2.693  -4.292  -2.541
  188    H    LEU  30           H        LEU  30  -2.373   1.916  -2.968
  189    HA   LEU  30           HA       LEU  30  -3.025   3.734  -0.695
  190   1HB   LEU  30          2HB       LEU  30  -2.137   4.057  -3.331
  191   2HB   LEU  30          1HB       LEU  30  -3.843   4.438  -3.420
  192    HG   LEU  30           HG       LEU  30  -1.769   5.768  -1.681
  193   1HD1  LEU  30          1HD2      LEU  30  -2.093   6.488  -4.075
  194   2HD1  LEU  30          2HD2      LEU  30  -2.416   7.757  -2.895
  195   3HD1  LEU  30          3HD2      LEU  30  -3.756   6.906  -3.666
  196   1HD2  LEU  30          1HD1      LEU  30  -3.709   7.165  -0.850
  197   2HD2  LEU  30          2HD1      LEU  30  -3.706   5.503  -0.260
  198   3HD2  LEU  30          3HD1      LEU  30  -4.792   5.973  -1.568
  199    H    ASN  31           H        ASN  31  -5.422   4.394  -0.620
  200    HA   ASN  31           HA       ASN  31  -7.272   2.528  -1.985
  201   1HB   ASN  31          2HB       ASN  31  -8.143   1.754   0.238
  202   2HB   ASN  31          1HB       ASN  31  -6.481   1.270  -0.072
  203   1HD2  ASN  31          1HD2      ASN  31  -6.945   1.222   2.535
  204   2HD2  ASN  31          2HD2      ASN  31  -6.373   2.602   3.339
  205    H    HIS  32           H        HIS  32  -9.333   3.345  -2.167
  206    HA   HIS  32           HA       HIS  32  -9.806   6.092  -1.116
  207   1HB   HIS  32          1HB       HIS  32 -10.087   5.643  -3.520
  208   2HB   HIS  32          2HB       HIS  32 -11.226   4.346  -3.159
  209    HD1  HIS  32           1HD      HIS  32 -11.373   7.467  -1.122
  210    HD2  HIS  32           2HD      HIS  32 -13.351   5.838  -4.410
  211    HE1  HIS  32           1HE      HIS  32 -13.450   8.873  -1.477
  212    H    ILE  33           H        ILE  33  -9.974   3.459   0.435
  213    HA   ILE  33           HA       ILE  33 -12.860   3.544   1.242
  214    HB   ILE  33           HB       ILE  33 -11.104   1.419   2.340
  215   1HG1  ILE  33          1HG1      ILE  33 -11.748   1.368  -0.626
  216   2HG1  ILE  33          2HG1      ILE  33 -10.137   1.612   0.047
  217   1HG2  ILE  33          1HG2      ILE  33 -13.577   1.510   2.555
  218   2HG2  ILE  33          2HG2      ILE  33 -13.020   0.024   1.784
  219   3HG2  ILE  33          3HG2      ILE  33 -13.714   1.319   0.807
  220   1HD1  ILE  33          1HD1      ILE  33  -9.906  -0.625   0.085
  221   2HD1  ILE  33          2HD1      ILE  33 -11.607  -0.866  -0.310
  222   3HD1  ILE  33          3HD1      ILE  33 -11.114  -0.650   1.369
  223    H    ASP  34           H        ASP  34  -9.752   2.753   2.750
  224    HA   ASP  34           HA       ASP  34 -10.565   3.992   5.294
  225   1HB   ASP  34          1HB       ASP  34  -9.346   1.900   5.289
  226   2HB   ASP  34          2HB       ASP  34  -8.091   2.577   4.255
  227    H    GLN  35           H        GLN  35  -9.225   5.131   2.398
  228    HA   GLN  35           HA       GLN  35  -8.122   7.127   1.822
  229   1HB   GLN  35          2HB       GLN  35  -9.574   7.600   4.395
  230   2HB   GLN  35          1HB       GLN  35  -8.484   8.861   3.820
  231   1HG   GLN  35          1HG       GLN  35 -10.048   9.533   2.351
  232   2HG   GLN  35          2HG       GLN  35 -10.000   7.946   1.584
  233   1HE2  GLN  35          1HE2      GLN  35 -12.393   9.709   2.160
  234   2HE2  GLN  35          2HE2      GLN  35 -13.435   8.749   3.094
  235    H    THR  36           H        THR  36  -6.319   5.210   2.712
  236    HA   THR  36           HA       THR  36  -4.148   6.866   3.712
  237    HB   THR  36           HB       THR  36  -4.060   5.057   5.754
  238    HG1  THR  36           1HG      THR  36  -6.147   4.280   5.100
  239   1HG2  THR  36          1HG2      THR  36  -5.780   7.417   6.268
  240   2HG2  THR  36          2HG2      THR  36  -4.215   7.746   5.526
  241   3HG2  THR  36          3HG2      THR  36  -4.299   6.903   7.074
  242    H    THR  37           H        THR  37  -2.116   5.647   3.795
  243    HA   THR  37           HA       THR  37  -2.251   3.127   2.184
  244    HB   THR  37           HB       THR  37   0.001   3.753   1.459
  245    HG1  THR  37           1HG      THR  37  -0.263   6.014   3.142
  246   1HG2  THR  37          1HG2      THR  37  -2.325   5.460   1.167
  247   2HG2  THR  37          2HG2      THR  37  -1.110   5.016  -0.029
  248   3HG2  THR  37          3HG2      THR  37  -0.838   6.397   1.034
  249    H    THR  38           H        THR  38  -1.682   1.285   3.217
  250    HA   THR  38           HA       THR  38  -0.856   1.325   6.007
  251    HB   THR  38           HB       THR  38  -2.368  -0.367   5.144
  252    HG1  THR  38           1HG      THR  38   0.188  -1.467   5.689
  253   1HG2  THR  38          1HG2      THR  38  -2.101  -1.282   3.112
  254   2HG2  THR  38          2HG2      THR  38  -0.539  -1.950   3.580
  255   3HG2  THR  38          3HG2      THR  38  -0.637  -0.322   2.910
  256    H    TRP  39           H        TRP  39   0.886   1.468   3.056
  257    HA   TRP  39           HA       TRP  39   3.210   1.455   2.634
  258   1HB   TRP  39          2HB       TRP  39   2.896   2.497   5.101
  259   2HB   TRP  39          1HB       TRP  39   3.805   1.052   5.532
  260    HD1  TRP  39           HD       TRP  39   6.265   1.604   5.704
  261    HE1  TRP  39           1HE      TRP  39   7.938   3.049   4.379
  262    HE3  TRP  39           3HE      TRP  39   3.123   3.627   2.223
  263    HZ2  TRP  39           2HZ      TRP  39   7.943   4.826   2.138
  264    HZ3  TRP  39           3HZ      TRP  39   3.989   5.190   0.507
  265    HH2  TRP  39           HH       TRP  39   6.392   5.792   0.460
  266    H    GLN  40           H        GLN  40   2.970  -0.683   5.502
  267    HA   GLN  40           HA       GLN  40   3.911  -2.945   3.770
  268   1HB   GLN  40          2HB       GLN  40   4.793  -1.930   6.470
  269   2HB   GLN  40          1HB       GLN  40   5.065  -3.613   6.018
  270   1HG   GLN  40          2HG       GLN  40   6.544  -3.056   4.309
  271   2HG   GLN  40          1HG       GLN  40   5.857  -1.446   4.100
  272   1HE2  GLN  40          1HE2      GLN  40   8.356  -3.239   5.679
  273   2HE2  GLN  40          2HE2      GLN  40   8.947  -1.979   6.651
  274    H    ASP  41           H        ASP  41   2.437  -4.604   3.813
  275    HA   ASP  41           HA       ASP  41   1.241  -5.617   6.221
  276   1HB   ASP  41          1HB       ASP  41   0.037  -3.295   5.019
  277   2HB   ASP  41          2HB       ASP  41  -1.080  -4.654   4.886
  278    HA   PRO  42           HA       PRO  42  -0.912  -7.718   2.517
  279   1HB   PRO  42          2HB       PRO  42  -0.520  -6.684   0.008
  280   2HB   PRO  42          1HB       PRO  42  -1.862  -6.203   1.063
  281   1HG   PRO  42          1HG       PRO  42   0.723  -4.819   0.528
  282   2HG   PRO  42          2HG       PRO  42  -0.897  -4.140   0.725
  283   1HD   PRO  42          2HD       PRO  42   0.983  -4.096   2.683
  284   2HD   PRO  42          1HD       PRO  42  -0.760  -4.139   3.013
  285    H    ARG  43           H        ARG  43   1.990  -6.199   1.010
  286    HA   ARG  43           HA       ARG  43   3.684  -8.481   1.453
  287   1HB   ARG  43          2HB       ARG  43   1.726  -8.709  -0.606
  288   2HB   ARG  43          1HB       ARG  43   3.299  -8.575  -1.390
  289   1HG   ARG  43          2HG       ARG  43   2.571 -10.539   0.804
  290   2HG   ARG  43          1HG       ARG  43   2.789 -10.931  -0.902
  291   1HD   ARG  43          2HD       ARG  43   5.040 -11.060  -0.641
  292   2HD   ARG  43          1HD       ARG  43   5.088  -9.471   0.143
  293    HE   ARG  43           HE       ARG  43   3.933 -11.207   2.021
  294   1HH1  ARG  43          1HH2      ARG  43   6.932 -10.972   0.270
  295   2HH1  ARG  43          2HH2      ARG  43   7.846 -11.750   1.515
  296   1HH2  ARG  43          1HH1      ARG  43   5.140 -12.212   3.623
  297   2HH2  ARG  43          2HH1      ARG  43   6.842 -12.447   3.400
  298    H    LYS  44           H        LYS  44   4.043  -5.669   1.635
  299    HA   LYS  44           HA       LYS  44   6.492  -5.318   0.152
  300   1HB   LYS  44          1HB       LYS  44   3.947  -4.593  -1.087
  301   2HB   LYS  44          2HB       LYS  44   5.049  -3.219  -0.994
  302   1HG   LYS  44          1HG       LYS  44   6.276  -4.057  -2.685
  303   2HG   LYS  44          2HG       LYS  44   6.530  -5.552  -1.783
  304   1HD   LYS  44          1HD       LYS  44   5.304  -6.530  -3.424
  305   2HD   LYS  44          2HD       LYS  44   3.914  -5.808  -2.614
  306   1HE   LYS  44          1HE       LYS  44   3.724  -5.092  -4.885
  307   2HE   LYS  44          2HE       LYS  44   4.441  -3.700  -4.052
  308   1HZ   LYS  44          1HZ       LYS  44   6.650  -4.648  -4.601
  309   2HZ   LYS  44          2HZ       LYS  44   5.762  -4.205  -5.981
  310   3HZ   LYS  44          3HZ       LYS  44   5.885  -5.840  -5.535
  311   1HN   NH2  45          1HN       NH2  45   7.667  -3.903   1.475
  312   2HN   NH2  45          2HN       NH2  45   6.995  -2.686   2.448
  313    H    GLY  45           H        GLY  45  14.268   9.570   7.331
  314   1HA   GLY  45          2HA       GLY  45  12.457  11.892   7.733
  315   2HA   GLY  45          1HA       GLY  45  13.601  11.953   6.389
  316    H    THR  46           H        THR  46  10.911  10.045   7.724
  317    HA   THR  46           HA       THR  46  10.260   9.213   4.917
  318    HB   THR  46           HB       THR  46   9.469   7.058   6.128
  319    HG1  THR  46           1HG      THR  46  10.133   6.786   8.137
  320   1HG2  THR  46          1HG2      THR  46  12.260   7.949   5.559
  321   2HG2  THR  46          2HG2      THR  46  11.312   6.670   4.800
  322   3HG2  THR  46          3HG2      THR  46  12.044   6.404   6.382
  323    HA   PRO  47           HA       PRO  47   6.635  11.210   7.010
  324   1HB   PRO  47          1HB       PRO  47   5.902  12.756   4.875
  325   2HB   PRO  47          2HB       PRO  47   7.087  13.279   6.085
  326   1HG   PRO  47          1HG       PRO  47   7.521  12.168   3.353
  327   2HG   PRO  47          2HG       PRO  47   8.386  13.462   4.193
  328   1HD   PRO  47          1HD       PRO  47   9.336  10.912   3.951
  329   2HD   PRO  47          2HD       PRO  47   9.764  11.997   5.289
  330    HA   PRO  48           HA       PRO  48   3.860   8.393   5.051
  331   1HB   PRO  48          2HB       PRO  48   1.450   9.479   5.763
  332   2HB   PRO  48          1HB       PRO  48   2.491   8.603   6.901
  333   1HG   PRO  48          1HG       PRO  48   2.124  11.538   6.528
  334   2HG   PRO  48          2HG       PRO  48   2.327  10.609   8.021
  335   1HD   PRO  48          1HD       PRO  48   4.332  12.043   6.841
  336   2HD   PRO  48          2HD       PRO  48   4.612  10.614   7.859
  337    HA   PRO  49           HA       PRO  49   2.912  10.379   1.201
  338   1HB   PRO  49          2HB       PRO  49   1.450   8.378   0.042
  339   2HB   PRO  49          1HB       PRO  49   3.216   8.313   0.207
  340   1HG   PRO  49          2HG       PRO  49   1.116   6.988   1.838
  341   2HG   PRO  49          1HG       PRO  49   2.694   6.383   1.323
  342   1HD   PRO  49          2HD       PRO  49   2.162   7.338   3.835
  343   2HD   PRO  49          1HD       PRO  49   3.776   7.352   3.091
  344    HA   PRO  50           HA       PRO  50  -1.188  11.786   2.530
  345   1HB   PRO  50          2HB       PRO  50  -1.132  14.147   1.150
  346   2HB   PRO  50          1HB       PRO  50  -0.327  13.926   2.717
  347   1HG   PRO  50          2HG       PRO  50   0.829  13.915  -0.022
  348   2HG   PRO  50          1HG       PRO  50   1.491  14.572   1.481
  349   1HD   PRO  50          1HD       PRO  50   2.275  12.192   0.388
  350   2HD   PRO  50          2HD       PRO  50   2.375  12.568   2.121
  351    H    TYR  51           H        TYR  51  -1.540   9.825   0.844
  352    HA   TYR  51           HA       TYR  51  -2.741   9.043  -1.037
  353   1HB   TYR  51          2HB       TYR  51  -4.100  11.065   0.254
  354   2HB   TYR  51          1HB       TYR  51  -4.083  11.640  -1.414
  355    HD1  TYR  51           1HD      TYR  51  -4.916   8.689   0.717
  356    HD2  TYR  51           2HD      TYR  51  -5.496  10.672  -3.050
  357    HE1  TYR  51           1HE      TYR  51  -6.706   7.073   0.142
  358    HE2  TYR  51           2HE      TYR  51  -7.286   9.055  -3.624
  359    HH   TYR  51           HH       TYR  51  -8.775   7.525  -2.607
  360    H    THR  52           H        THR  52  -3.564  10.178  -3.368
  361    HA   THR  52           HA       THR  52  -1.014  11.214  -4.548
  362    HB   THR  52           HB       THR  52  -2.312  10.362  -6.669
  363    HG1  THR  52           1HG      THR  52  -4.240   9.763  -6.076
  364   1HG2  THR  52          1HG2      THR  52  -0.700   8.814  -6.447
  365   2HG2  THR  52          2HG2      THR  52  -1.760   7.910  -5.367
  366   3HG2  THR  52          3HG2      THR  52  -0.632   9.095  -4.706
  367    H    VAL  53           H        VAL  53  -1.357  13.475  -4.231
  368    HA   VAL  53           HA       VAL  53  -3.887  14.686  -5.187
  369    HB   VAL  53           HB       VAL  53  -2.858  16.726  -4.216
  370   1HG1  VAL  53          1HG2      VAL  53  -3.674  14.414  -2.867
  371   2HG1  VAL  53          2HG2      VAL  53  -3.526  16.029  -2.175
  372   3HG1  VAL  53          3HG2      VAL  53  -2.183  14.892  -2.055
  373   1HG2  VAL  53          1HG1      VAL  53  -0.620  16.889  -4.049
  374   2HG2  VAL  53          2HG1      VAL  53  -0.466  15.251  -4.682
  375   3HG2  VAL  53          3HG1      VAL  53  -0.590  15.516  -2.942
  376    H    GLY  54           H        GLY  54  -2.713  13.558  -7.366
  377   1HA   GLY  54          2HA       GLY  54  -0.966  15.561  -8.664
  378   2HA   GLY  54          1HA       GLY  54  -1.402  13.986  -9.329
  Start of MODEL    4
    1    H    PHE   5           H        PHE   5   3.408 -13.431   7.950
    2    HA   PHE   5           HA       PHE   5   2.031 -10.769   7.911
    3   1HB   PHE   5          2HB       PHE   5   3.881 -12.041   9.955
    4   2HB   PHE   5          1HB       PHE   5   2.992 -10.533  10.160
    5    HD1  PHE   5           1HD      PHE   5   0.735 -10.532  10.887
    6    HD2  PHE   5           2HD      PHE   5   2.566 -14.195   9.589
    7    HE1  PHE   5           1HE      PHE   5  -1.237 -11.803  11.693
    8    HE2  PHE   5           2HE      PHE   5   0.595 -15.465  10.394
    9    HZ   PHE   5           HZ       PHE   5  -1.307 -14.270  11.445
   10    H    GLU   6           H        GLU   6   3.570  -8.884   8.234
   11    HA   GLU   6           HA       GLU   6   5.400  -7.617   7.433
   12   1HB   GLU   6          2HB       GLU   6   6.387 -10.191   8.536
   13   2HB   GLU   6          1HB       GLU   6   7.540  -9.295   7.546
   14   1HG   GLU   6          2HG       GLU   6   7.932  -8.357   9.641
   15   2HG   GLU   6          1HG       GLU   6   6.728  -7.244   8.993
   16    H    ILE   7           H        ILE   7   4.856  -7.327   5.228
   17    HA   ILE   7           HA       ILE   7   5.060  -9.350   3.206
   18    HB   ILE   7           HB       ILE   7   5.164  -6.319   3.122
   19   1HG1  ILE   7          2HG1      ILE   7   2.882  -8.276   2.700
   20   2HG1  ILE   7          1HG1      ILE   7   3.128  -7.308   4.152
   21   1HG2  ILE   7          1HG2      ILE   7   4.038  -7.289   0.758
   22   2HG2  ILE   7          2HG2      ILE   7   5.430  -8.336   1.034
   23   3HG2  ILE   7          3HG2      ILE   7   5.646  -6.588   0.933
   24   1HD1  ILE   7          1HD1      ILE   7   1.572  -6.487   2.104
   25   2HD1  ILE   7          2HD1      ILE   7   3.122  -5.839   1.566
   26   3HD1  ILE   7          3HD1      ILE   7   2.463  -5.363   3.132
   27    HA   PRO   8           HA       PRO   8   9.539  -9.267   2.983
   28   1HB   PRO   8          2HB       PRO   8   9.800 -11.037   0.911
   29   2HB   PRO   8          1HB       PRO   8   9.466 -11.542   2.578
   30   1HG   PRO   8          2HG       PRO   8   7.610 -11.266   0.265
   31   2HG   PRO   8          1HG       PRO   8   7.644 -12.490   1.542
   32   1HD   PRO   8          1HD       PRO   8   5.895 -10.393   1.501
   33   2HD   PRO   8          2HD       PRO   8   6.428 -11.207   2.986
   34    H    ASP   9           H        ASP   9   7.671  -9.304  -0.081
   35    HA   ASP   9           HA       ASP   9   8.758  -6.753  -0.946
   36   1HB   ASP   9          2HB       ASP   9  10.153  -9.273  -1.512
   37   2HB   ASP   9          1HB       ASP   9   9.807  -8.338  -2.966
   38    H    ASP  10           H        ASP  10   7.308  -9.856  -1.915
   39    HA   ASP  10           HA       ASP  10   5.772  -8.482  -4.066
   40   1HB   ASP  10          1HB       ASP  10   6.342 -11.356  -3.324
   41   2HB   ASP  10          2HB       ASP  10   5.214 -10.915  -4.604
   42    H    VAL  11           H        VAL  11   4.814 -11.241  -2.093
   43    HA   VAL  11           HA       VAL  11   2.848 -11.650  -0.871
   44    HB   VAL  11           HB       VAL  11   4.096  -9.244  -0.060
   45   1HG1  VAL  11          1HG2      VAL  11   1.092  -8.920  -0.235
   46   2HG1  VAL  11          2HG2      VAL  11   2.336  -7.811  -0.809
   47   3HG1  VAL  11          3HG2      VAL  11   2.079  -8.027   0.922
   48   1HG2  VAL  11          1HG1      VAL  11   2.571 -11.448   1.048
   49   2HG2  VAL  11          2HG1      VAL  11   2.255  -9.951   1.924
   50   3HG2  VAL  11          3HG1      VAL  11   3.907 -10.546   1.759
   51    HA   PRO  12           HA       PRO  12  -0.587 -10.738  -3.448
   52   1HB   PRO  12          2HB       PRO  12  -2.696 -10.582  -1.710
   53   2HB   PRO  12          1HB       PRO  12  -1.897 -12.109  -2.128
   54   1HG   PRO  12          2HG       PRO  12  -1.584 -10.398   0.291
   55   2HG   PRO  12          1HG       PRO  12  -1.615 -12.161   0.154
   56   1HD   PRO  12          1HD       PRO  12   0.675 -10.697   0.443
   57   2HD   PRO  12          2HD       PRO  12   0.614 -12.282  -0.355
   58    H    LEU  13           H        LEU  13  -2.860  -9.181  -3.054
   59    HA   LEU  13           HA       LEU  13  -1.882  -6.467  -2.270
   60   1HB   LEU  13          1HB       LEU  13  -1.681  -7.248  -4.797
   61   2HB   LEU  13          2HB       LEU  13  -3.405  -6.881  -4.824
   62    HG   LEU  13           HG       LEU  13  -1.558  -4.871  -3.605
   63   1HD1  LEU  13          1HD2      LEU  13  -2.023  -4.561  -6.504
   64   2HD1  LEU  13          2HD2      LEU  13  -0.915  -5.863  -6.074
   65   3HD1  LEU  13          3HD2      LEU  13  -0.580  -4.212  -5.553
   66   1HD2  LEU  13          1HD1      LEU  13  -3.696  -4.140  -5.513
   67   2HD2  LEU  13          2HD1      LEU  13  -3.339  -3.480  -3.917
   68   3HD2  LEU  13          3HD1      LEU  13  -4.248  -4.982  -4.066
   69    HA   PRO  14           HA       PRO  14  -5.943  -6.355  -0.525
   70   1HB   PRO  14          2HB       PRO  14  -6.227  -3.657  -0.230
   71   2HB   PRO  14          1HB       PRO  14  -5.210  -4.644   0.823
   72   1HG   PRO  14          1HG       PRO  14  -4.435  -2.942  -1.507
   73   2HG   PRO  14          2HG       PRO  14  -3.647  -3.119   0.068
   74   1HD   PRO  14          2HD       PRO  14  -2.748  -4.363  -2.160
   75   2HD   PRO  14          1HD       PRO  14  -2.587  -5.073  -0.538
   76    H    ALA  15           H        ALA  15  -8.040  -6.211  -1.313
   77    HA   ALA  15           HA       ALA  15  -8.395  -5.597  -4.157
   78   1HB   ALA  15          1HB       ALA  15  -9.378  -7.441  -2.543
   79   2HB   ALA  15          2HB       ALA  15 -10.352  -6.811  -3.873
   80   3HB   ALA  15          3HB       ALA  15 -10.602  -6.210  -2.233
   81    H    GLY  16           H        GLY  16  -9.223  -3.727  -4.990
   82   1HA   GLY  16          1HA       GLY  16 -10.618  -1.786  -5.075
   83   2HA   GLY  16          2HA       GLY  16 -11.000  -2.018  -3.364
   84    H    TRP  17           H        TRP  17  -7.720  -2.147  -4.532
   85    HA   TRP  17           HA       TRP  17  -7.155   0.413  -3.085
   86   1HB   TRP  17          2HB       TRP  17  -5.752  -2.242  -3.375
   87   2HB   TRP  17          1HB       TRP  17  -4.873  -0.807  -2.847
   88    HD1  TRP  17           HD       TRP  17  -8.315  -2.349  -1.896
   89    HE1  TRP  17           1HE      TRP  17  -8.515  -2.299   0.674
   90    HE3  TRP  17           3HE      TRP  17  -3.812  -0.321  -0.735
   91    HZ2  TRP  17           2HZ      TRP  17  -6.919  -1.508   2.938
   92    HZ3  TRP  17           3HZ      TRP  17  -3.147   0.057   1.616
   93    HH2  TRP  17           HH       TRP  17  -4.699  -0.537   3.460
   94    H    GLU  18           H        GLU  18  -6.074   1.985  -4.231
   95    HA   GLU  18           HA       GLU  18  -5.100   1.285  -6.981
   96   1HB   GLU  18          2HB       GLU  18  -7.047   2.933  -6.538
   97   2HB   GLU  18          1HB       GLU  18  -5.808   4.025  -5.914
   98   1HG   GLU  18          1HG       GLU  18  -5.622   4.693  -8.081
   99   2HG   GLU  18          2HG       GLU  18  -4.675   3.217  -8.273
  100    H    MET  19           H        MET  19  -3.070   0.601  -5.676
  101    HA   MET  19           HA       MET  19  -1.473   2.356  -4.184
  102   1HB   MET  19          2HB       MET  19   0.361   0.890  -4.861
  103   2HB   MET  19          1HB       MET  19  -1.089  -0.025  -4.485
  104   1HG   MET  19          1HG       MET  19  -1.527   0.278  -7.099
  105   2HG   MET  19          2HG       MET  19   0.229   0.439  -7.115
  106   1HE   MET  19          1HE       MET  19  -1.745  -2.659  -4.652
  107   2HE   MET  19          2HE       MET  19  -2.633  -2.657  -6.173
  108   3HE   MET  19          3HE       MET  19  -2.438  -1.158  -5.272
  109    H    ALA  20           H        ALA  20  -1.004   4.413  -4.821
  110    HA   ALA  20           HA       ALA  20  -0.697   5.166  -7.625
  111   1HB   ALA  20          1HB       ALA  20   0.124   6.901  -5.335
  112   2HB   ALA  20          2HB       ALA  20  -1.563   6.394  -5.414
  113   3HB   ALA  20          3HB       ALA  20  -0.853   7.300  -6.749
  114    H    LYS  21           H        LYS  21   1.419   3.699  -5.442
  115    HA   LYS  21           HA       LYS  21   3.753   3.369  -5.489
  116   1HB   LYS  21          1HB       LYS  21   2.823   3.604  -8.100
  117   2HB   LYS  21          2HB       LYS  21   4.167   4.745  -8.043
  118   1HG   LYS  21          1HG       LYS  21   5.687   3.034  -7.295
  119   2HG   LYS  21          2HG       LYS  21   4.366   1.893  -7.042
  120   1HD   LYS  21          2HD       LYS  21   5.551   1.418  -9.155
  121   2HD   LYS  21          1HD       LYS  21   3.884   1.910  -9.463
  122   1HE   LYS  21          2HE       LYS  21   5.515   4.274  -9.370
  123   2HE   LYS  21          1HE       LYS  21   6.261   3.111 -10.483
  124   1HZ   LYS  21          1HZ       LYS  21   3.906   2.722 -11.314
  125   2HZ   LYS  21          2HZ       LYS  21   4.624   4.199 -11.750
  126   3HZ   LYS  21          3HZ       LYS  21   3.481   4.144 -10.494
  127    H    THR  22           H        THR  22   5.677   4.563  -5.002
  128    HA   THR  22           HA       THR  22   5.196   7.417  -4.381
  129    HB   THR  22           HB       THR  22   7.512   7.027  -3.287
  130    HG1  THR  22           1HG      THR  22   8.004   5.181  -4.544
  131   1HG2  THR  22          1HG2      THR  22   6.498   6.035  -1.373
  132   2HG2  THR  22          2HG2      THR  22   5.317   5.170  -2.357
  133   3HG2  THR  22          3HG2      THR  22   5.207   6.921  -2.183
  134    H    SER  23           H        SER  23   6.530   9.103  -5.217
  135    HA   SER  23           HA       SER  23   7.326   9.014  -7.910
  136   1HB   SER  23          1HB       SER  23   7.487  10.765  -5.617
  137   2HB   SER  23          2HB       SER  23   8.975  10.874  -6.556
  138    HG   SER  23           HG       SER  23   7.864  11.524  -8.293
  139    H    ESD  24           H        ESD  24   9.799   9.496  -5.398
  140   1HG   ESD  24          1HG       ESD  24  11.710   9.994  -4.879
  141   2HG   ESD  24          2HG       ESD  24  13.198   9.176  -5.352
  142   2HD   ESD  24          2HD       ESD  24  11.874   8.278  -7.003
  143   1HD   ESD  24          1HD       ESD  24  11.342   7.179  -5.716
  144   2HA   ESD  24          2HA       ESD  24  14.099   6.596  -3.521
  145   1HA   ESD  24          1HA       ESD  24  13.057   6.609  -4.989
  146    H    GLY  25           H        GLY  25  13.781   4.233  -3.710
  147   1HA   GLY  25          2HA       GLY  25  11.479   2.979  -4.955
  148   2HA   GLY  25          1HA       GLY  25  12.769   2.140  -4.094
  149    H    GLN  26           H        GLN  26   9.527   3.095  -3.934
  150    HA   GLN  26           HA       GLN  26   9.407   2.256  -1.070
  151   1HB   GLN  26          2HB       GLN  26   9.185   4.892  -2.039
  152   2HB   GLN  26          1HB       GLN  26   7.533   4.385  -1.688
  153   1HG   GLN  26          1HG       GLN  26   8.306   5.247   0.374
  154   2HG   GLN  26          2HG       GLN  26   8.498   3.503   0.550
  155   1HE2  GLN  26          1HE2      GLN  26  10.355   6.432  -0.429
  156   2HE2  GLN  26          2HE2      GLN  26  11.857   5.836   0.094
  157    H    ARG  27           H        ARG  27   7.068   3.533  -3.459
  158    HA   ARG  27           HA       ARG  27   5.099   2.585  -4.346
  159   1HB   ARG  27          1HB       ARG  27   6.909   0.877  -4.963
  160   2HB   ARG  27          2HB       ARG  27   6.355  -0.060  -3.575
  161   1HG   ARG  27          2HG       ARG  27   4.422  -0.688  -4.610
  162   2HG   ARG  27          1HG       ARG  27   4.211   0.883  -5.384
  163   1HD   ARG  27          2HD       ARG  27   5.174   0.140  -7.305
  164   2HD   ARG  27          1HD       ARG  27   6.553  -0.541  -6.419
  165    HE   ARG  27           HE       ARG  27   4.104  -2.070  -6.020
  166   1HH1  ARG  27          1HH2      ARG  27   6.820  -1.538  -8.131
  167   2HH1  ARG  27          2HH2      ARG  27   6.747  -3.128  -8.806
  168   1HH2  ARG  27          1HH1      ARG  27   4.029  -4.128  -6.912
  169   2HH2  ARG  27          2HH1      ARG  27   5.178  -4.585  -8.124
  170    H    TYR  28           H        TYR  28   3.132   2.536  -3.320
  171    HA   TYR  28           HA       TYR  28   2.833   0.890  -0.855
  172   1HB   TYR  28          2HB       TYR  28   1.961   2.819   0.381
  173   2HB   TYR  28          1HB       TYR  28   3.561   3.220  -0.239
  174    HD1  TYR  28           1HD      TYR  28   3.558   4.320  -2.673
  175    HD2  TYR  28           2HD      TYR  28   0.201   4.355   0.012
  176    HE1  TYR  28           1HE      TYR  28   2.634   6.281  -3.857
  177    HE2  TYR  28           2HE      TYR  28  -0.714   6.322  -1.178
  178    HH   TYR  28           HH       TYR  28   0.237   8.217  -2.608
  179    H    PHE  29           H        PHE  29   0.588   0.488  -0.329
  180    HA   PHE  29           HA       PHE  29  -1.140   0.693  -2.723
  181   1HB   PHE  29          2HB       PHE  29  -1.413  -0.937  -0.185
  182   2HB   PHE  29          1HB       PHE  29  -2.376  -1.124  -1.651
  183    HD1  PHE  29           1HD      PHE  29   0.401  -0.354  -3.284
  184    HD2  PHE  29           2HD      PHE  29  -0.882  -3.407  -0.554
  185    HE1  PHE  29           1HE      PHE  29   2.113  -1.867  -4.204
  186    HE2  PHE  29           2HE      PHE  29   0.843  -4.930  -1.475
  187    HZ   PHE  29           HZ       PHE  29   2.339  -4.171  -3.299
  188    H    LEU  30           H        LEU  30  -1.469   2.897  -2.398
  189    HA   LEU  30           HA       LEU  30  -2.437   4.413  -0.338
  190   1HB   LEU  30          2HB       LEU  30  -2.076   4.610  -2.997
  191   2HB   LEU  30          1HB       LEU  30  -3.831   4.543  -2.959
  192    HG   LEU  30           HG       LEU  30  -2.619   6.356  -0.965
  193   1HD1  LEU  30          1HD2      LEU  30  -1.665   7.858  -2.387
  194   2HD1  LEU  30          2HD2      LEU  30  -2.874   7.578  -3.640
  195   3HD1  LEU  30          3HD2      LEU  30  -1.513   6.473  -3.467
  196   1HD2  LEU  30          1HD1      LEU  30  -5.099   5.947  -2.391
  197   2HD2  LEU  30          2HD1      LEU  30  -4.559   7.616  -2.571
  198   3HD2  LEU  30          3HD1      LEU  30  -4.791   6.933  -0.961
  199    H    ASN  31           H        ASN  31  -3.840   3.322   1.161
  200    HA   ASN  31           HA       ASN  31  -6.185   1.831   0.343
  201   1HB   ASN  31          2HB       ASN  31  -4.814   1.723   2.510
  202   2HB   ASN  31          1HB       ASN  31  -5.664   3.184   2.999
  203   1HD2  ASN  31          1HD2      ASN  31  -6.466   1.587   4.769
  204   2HD2  ASN  31          2HD2      ASN  31  -7.862   0.694   4.407
  205    H    HIS  32           H        HIS  32  -7.074   3.525  -1.182
  206    HA   HIS  32           HA       HIS  32  -8.224   5.935   0.090
  207   1HB   HIS  32          2HB       HIS  32  -8.745   6.527  -2.227
  208   2HB   HIS  32          1HB       HIS  32  -7.085   5.940  -2.137
  209    HD1  HIS  32           1HD      HIS  32  -8.291   5.700  -4.847
  210    HD2  HIS  32           2HD      HIS  32  -8.836   2.737  -1.967
  211    HE1  HIS  32           1HE      HIS  32  -8.896   3.586  -6.102
  212    H    ILE  33           H        ILE  33  -9.196   2.940   0.396
  213    HA   ILE  33           HA       ILE  33 -12.016   3.325  -0.494
  214    HB   ILE  33           HB       ILE  33 -12.143   0.886   0.405
  215   1HG1  ILE  33          1HG1      ILE  33  -9.211   0.757  -0.110
  216   2HG1  ILE  33          2HG1      ILE  33  -9.746   1.308   1.475
  217   1HG2  ILE  33          1HG2      ILE  33 -12.206   1.378  -1.958
  218   2HG2  ILE  33          2HG2      ILE  33 -11.085   0.040  -1.710
  219   3HG2  ILE  33          3HG2      ILE  33 -10.467   1.667  -1.989
  220   1HD1  ILE  33          1HD1      ILE  33  -9.641  -0.999   1.803
  221   2HD1  ILE  33          2HD1      ILE  33 -10.176  -1.353   0.160
  222   3HD1  ILE  33          3HD1      ILE  33 -11.333  -0.780   1.360
  223    H    ASP  34           H        ASP  34 -10.057   2.937   2.407
  224    HA   ASP  34           HA       ASP  34 -12.205   4.140   4.027
  225   1HB   ASP  34          1HB       ASP  34 -12.707   1.693   3.859
  226   2HB   ASP  34          2HB       ASP  34 -11.135   1.354   4.581
  227    H    GLN  35           H        GLN  35  -9.305   4.660   3.266
  228    HA   GLN  35           HA       GLN  35  -8.388   5.578   5.846
  229   1HB   GLN  35          2HB       GLN  35  -8.062   2.869   5.399
  230   2HB   GLN  35          1HB       GLN  35  -6.495   3.528   4.931
  231   1HG   GLN  35          2HG       GLN  35  -6.277   4.653   7.084
  232   2HG   GLN  35          1HG       GLN  35  -7.899   4.139   7.550
  233   1HE2  GLN  35          1HE2      GLN  35  -8.142   2.016   8.401
  234   2HE2  GLN  35          2HE2      GLN  35  -6.856   0.921   8.565
  235    H    THR  36           H        THR  36  -5.536   5.236   5.190
  236    HA   THR  36           HA       THR  36  -5.335   6.957   2.739
  237    HB   THR  36           HB       THR  36  -3.679   8.270   3.962
  238    HG1  THR  36           1HG      THR  36  -4.146   6.386   6.028
  239   1HG2  THR  36          1HG2      THR  36  -5.627   8.120   6.146
  240   2HG2  THR  36          2HG2      THR  36  -6.382   8.197   4.554
  241   3HG2  THR  36          3HG2      THR  36  -5.258   9.459   5.058
  242    H    THR  37           H        THR  37  -2.516   7.112   2.757
  243    HA   THR  37           HA       THR  37  -1.735   4.719   1.439
  244    HB   THR  37           HB       THR  37   0.487   5.687   1.524
  245    HG1  THR  37           1HG      THR  37   0.822   6.218   3.583
  246   1HG2  THR  37          1HG2      THR  37  -1.731   7.052   0.614
  247   2HG2  THR  37          2HG2      THR  37  -0.058   7.505   0.290
  248   3HG2  THR  37          3HG2      THR  37  -0.934   8.256   1.625
  249    H    THR  38           H        THR  38  -1.091   2.753   2.237
  250    HA   THR  38           HA       THR  38  -1.210   2.192   5.074
  251    HB   THR  38           HB       THR  38  -0.080  -0.003   4.040
  252    HG1  THR  38           1HG      THR  38  -1.355   0.909   1.734
  253   1HG2  THR  38          1HG2      THR  38  -2.403  -0.664   3.269
  254   2HG2  THR  38          2HG2      THR  38  -2.897   1.002   3.573
  255   3HG2  THR  38          3HG2      THR  38  -2.321  -0.005   4.902
  256    H    TRP  39           H        TRP  39   1.465   2.540   2.740
  257    HA   TRP  39           HA       TRP  39   3.761   2.963   3.094
  258   1HB   TRP  39          1HB       TRP  39   2.293   4.296   5.090
  259   2HB   TRP  39          2HB       TRP  39   3.611   3.499   5.947
  260    HD1  TRP  39           HD       TRP  39   5.238   5.452   6.330
  261    HE1  TRP  39           1HE      TRP  39   6.526   7.062   4.782
  262    HE3  TRP  39           3HE      TRP  39   3.024   4.346   1.862
  263    HZ2  TRP  39           2HZ      TRP  39   6.608   7.786   2.017
  264    HZ3  TRP  39           3HZ      TRP  39   3.727   5.510  -0.210
  265    HH2  TRP  39           HH       TRP  39   5.514   7.225  -0.140
  266    H    GLN  40           H        GLN  40   2.905   1.742   6.344
  267    HA   GLN  40           HA       GLN  40   5.115  -0.049   6.519
  268   1HB   GLN  40          2HB       GLN  40   2.681   0.662   7.970
  269   2HB   GLN  40          1HB       GLN  40   3.093  -1.043   8.154
  270   1HG   GLN  40          2HG       GLN  40   4.746  -0.506   9.585
  271   2HG   GLN  40          1HG       GLN  40   5.501   0.503   8.351
  272   1HE2  GLN  40          1HE2      GLN  40   5.125   2.804   8.441
  273   2HE2  GLN  40          2HE2      GLN  40   4.316   3.544   9.737
  274    H    ASP  41           H        ASP  41   1.810  -1.271   6.626
  275    HA   ASP  41           HA       ASP  41   2.038  -2.889   4.222
  276   1HB   ASP  41          1HB       ASP  41   2.280  -5.048   5.422
  277   2HB   ASP  41          2HB       ASP  41   3.664  -3.994   5.715
  278    HA   PRO  42           HA       PRO  42  -2.307  -2.731   5.180
  279   1HB   PRO  42          2HB       PRO  42  -3.209  -4.285   3.117
  280   2HB   PRO  42          1HB       PRO  42  -2.689  -2.603   2.903
  281   1HG   PRO  42          1HG       PRO  42  -1.234  -5.133   2.315
  282   2HG   PRO  42          2HG       PRO  42  -1.257  -3.611   1.414
  283   1HD   PRO  42          1HD       PRO  42   0.784  -4.381   3.070
  284   2HD   PRO  42          2HD       PRO  42   0.399  -2.690   2.693
  285    H    ARG  43           H        ARG  43  -4.088  -4.844   4.761
  286    HA   ARG  43           HA       ARG  43  -3.568  -6.570   6.996
  287   1HB   ARG  43          2HB       ARG  43  -5.700  -5.811   5.412
  288   2HB   ARG  43          1HB       ARG  43  -5.478  -7.501   4.962
  289   1HG   ARG  43          2HG       ARG  43  -6.823  -7.803   6.809
  290   2HG   ARG  43          1HG       ARG  43  -5.256  -7.771   7.619
  291   1HD   ARG  43          2HD       ARG  43  -5.528  -5.385   8.123
  292   2HD   ARG  43          1HD       ARG  43  -7.060  -5.352   7.229
  293    HE   ARG  43           HE       ARG  43  -7.258  -7.463   9.094
  294   1HH1  ARG  43          1HH2      ARG  43  -6.853  -4.006   9.116
  295   2HH1  ARG  43          2HH2      ARG  43  -7.648  -3.812  10.640
  296   1HH2  ARG  43          1HH1      ARG  43  -8.286  -7.186  11.069
  297   2HH2  ARG  43          2HH1      ARG  43  -8.455  -5.598  11.740
  298    H    LYS  44           H        LYS  44  -2.611  -6.739   3.668
  299    HA   LYS  44           HA       LYS  44  -1.471  -8.410   2.448
  300   1HB   LYS  44          2HB       LYS  44  -0.874  -9.309   5.288
  301   2HB   LYS  44          1HB       LYS  44   0.058  -9.737   3.853
  302   1HG   LYS  44          1HG       LYS  44   0.873  -7.552   3.575
  303   2HG   LYS  44          2HG       LYS  44  -0.410  -6.847   4.558
  304   1HD   LYS  44          2HD       LYS  44   1.801  -8.645   5.601
  305   2HD   LYS  44          1HD       LYS  44   1.752  -6.890   5.774
  306   1HE   LYS  44          1HE       LYS  44  -0.642  -7.385   6.819
  307   2HE   LYS  44          2HE       LYS  44   0.079  -8.974   7.135
  308   1HZ   LYS  44          1HZ       LYS  44   1.811  -8.030   8.348
  309   2HZ   LYS  44          2HZ       LYS  44   0.469  -7.115   8.845
  310   3HZ   LYS  44          3HZ       LYS  44   1.562  -6.480   7.708
  311   1HN   NH2  45          1HN       NH2  45  -4.355  -8.957   3.610
  312   2HN   NH2  45          2HN       NH2  45  -4.529 -10.637   3.427
  313    H    GLY  45           H        GLY  45  14.204  15.267   5.845
  314   1HA   GLY  45          2HA       GLY  45  12.668  15.978   3.459
  315   2HA   GLY  45          1HA       GLY  45  13.695  14.556   3.644
  316    H    THR  46           H        THR  46  12.675  12.624   3.924
  317    HA   THR  46           HA       THR  46  10.894  11.090   4.184
  318    HB   THR  46           HB       THR  46   9.991  13.205   6.164
  319    HG1  THR  46           1HG      THR  46  11.768  11.045   6.595
  320   1HG2  THR  46          1HG2      THR  46   8.430  11.305   5.717
  321   2HG2  THR  46          2HG2      THR  46   9.039  11.319   7.372
  322   3HG2  THR  46          3HG2      THR  46   9.708  10.189   6.195
  323    HA   PRO  47           HA       PRO  47   8.113  13.949   1.712
  324   1HB   PRO  47          1HB       PRO  47   8.412  12.703  -0.707
  325   2HB   PRO  47          2HB       PRO  47   9.464  14.023  -0.161
  326   1HG   PRO  47          2HG       PRO  47   9.944  11.082  -0.159
  327   2HG   PRO  47          1HG       PRO  47  11.061  12.405  -0.524
  328   1HD   PRO  47          2HD       PRO  47  11.015  11.068   1.860
  329   2HD   PRO  47          1HD       PRO  47  11.568  12.746   1.684
  330    HA   PRO  48           HA       PRO  48   5.327  10.464   2.515
  331   1HB   PRO  48          2HB       PRO  48   3.057  11.979   2.731
  332   2HB   PRO  48          1HB       PRO  48   4.215  11.779   4.059
  333   1HG   PRO  48          2HG       PRO  48   3.885  14.045   2.151
  334   2HG   PRO  48          1HG       PRO  48   4.238  14.075   3.884
  335   1HD   PRO  48          2HD       PRO  48   6.133  14.439   1.957
  336   2HD   PRO  48          1HD       PRO  48   6.486  13.755   3.558
  337    HA   PRO  49           HA       PRO  49   3.618   9.933  -1.507
  338   1HB   PRO  49          2HB       PRO  49   1.309   8.546  -1.015
  339   2HB   PRO  49          1HB       PRO  49   2.921   7.822  -0.864
  340   1HG   PRO  49          1HG       PRO  49   1.107   8.854   1.254
  341   2HG   PRO  49          2HG       PRO  49   2.157   7.430   1.263
  342   1HD   PRO  49          2HD       PRO  49   2.782   9.789   2.498
  343   2HD   PRO  49          1HD       PRO  49   3.999   8.644   1.891
  344    HA   PRO  50           HA       PRO  50   0.724  13.202  -2.152
  345   1HB   PRO  50          2HB       PRO  50  -0.234  12.551  -4.630
  346   2HB   PRO  50          1HB       PRO  50   1.391  13.217  -4.367
  347   1HG   PRO  50          2HG       PRO  50   0.553  10.400  -4.839
  348   2HG   PRO  50          1HG       PRO  50   1.978  11.270  -5.430
  349   1HD   PRO  50          2HD       PRO  50   2.039   9.514  -3.340
  350   2HD   PRO  50          1HD       PRO  50   3.178  10.862  -3.530
  351    H    TYR  51           H        TYR  51  -1.007  12.932  -0.715
  352    HA   TYR  51           HA       TYR  51  -3.511  11.917  -1.727
  353   1HB   TYR  51          1HB       TYR  51  -2.360   9.781  -1.379
  354   2HB   TYR  51          2HB       TYR  51  -1.971  10.236   0.280
  355    HD1  TYR  51           1HD      TYR  51  -3.552   9.958   2.037
  356    HD2  TYR  51           2HD      TYR  51  -4.789   9.525  -2.053
  357    HE1  TYR  51           1HE      TYR  51  -5.741   9.070   2.792
  358    HE2  TYR  51           2HE      TYR  51  -6.977   8.637  -1.297
  359    HH   TYR  51           HH       TYR  51  -7.556   7.504   1.724
  360    H    THR  52           H        THR  52  -2.119  11.697   1.559
  361    HA   THR  52           HA       THR  52  -3.442  14.166   2.433
  362    HB   THR  52           HB       THR  52  -4.436  11.417   3.248
  363    HG1  THR  52           1HG      THR  52  -5.601  13.587   1.847
  364   1HG2  THR  52          1HG2      THR  52  -5.912  12.507   4.777
  365   2HG2  THR  52          2HG2      THR  52  -5.487  14.101   4.156
  366   3HG2  THR  52          3HG2      THR  52  -4.311  13.178   5.089
  367    H    VAL  53           H        VAL  53  -2.543  14.874   4.394
  368    HA   VAL  53           HA       VAL  53  -0.120  13.568   5.319
  369    HB   VAL  53           HB       VAL  53  -0.477  16.010   5.269
  370   1HG1  VAL  53          1HG1      VAL  53  -2.983  15.347   6.304
  371   2HG1  VAL  53          2HG1      VAL  53  -2.341  16.977   6.101
  372   3HG1  VAL  53          3HG1      VAL  53  -2.163  16.144   7.645
  373   1HG2  VAL  53          1HG2      VAL  53  -0.301  15.127   8.157
  374   2HG2  VAL  53          2HG2      VAL  53   0.491  16.505   7.395
  375   3HG2  VAL  53          3HG2      VAL  53   1.014  14.866   7.010
  376    H    GLY  54           H        GLY  54  -0.263  11.714   6.538
  377   1HA   GLY  54          2HA       GLY  54  -1.905  11.774   8.986
  378   2HA   GLY  54          1HA       GLY  54  -2.308  10.506   7.829
  Start of MODEL    5
    1    H    PHE   5           H        PHE   5  14.501 -12.613  -3.358
    2    HA   PHE   5           HA       PHE   5  14.164 -10.077  -1.790
    3   1HB   PHE   5          2HB       PHE   5  15.867  -9.146  -3.366
    4   2HB   PHE   5          1HB       PHE   5  16.500 -10.484  -2.408
    5    HD1  PHE   5           1HD      PHE   5  17.131 -12.567  -3.424
    6    HD2  PHE   5           2HD      PHE   5  15.189  -9.515  -5.741
    7    HE1  PHE   5           1HE      PHE   5  17.667 -13.804  -5.505
    8    HE2  PHE   5           2HE      PHE   5  15.726 -10.753  -7.821
    9    HZ   PHE   5           HZ       PHE   5  16.965 -12.898  -7.703
   10    H    GLU   6           H        GLU   6  13.359  -8.254  -3.156
   11    HA   GLU   6           HA       GLU   6  11.746  -7.377  -4.647
   12   1HB   GLU   6          2HB       GLU   6  13.734  -8.241  -6.069
   13   2HB   GLU   6          1HB       GLU   6  12.675  -9.593  -6.478
   14   1HG   GLU   6          2HG       GLU   6  11.164  -8.242  -7.628
   15   2HG   GLU   6          1HG       GLU   6  11.642  -6.788  -6.748
   16    H    ILE   7           H        ILE   7   9.841  -8.193  -6.170
   17    HA   ILE   7           HA       ILE   7   8.484 -10.438  -4.724
   18    HB   ILE   7           HB       ILE   7   7.459  -8.040  -6.279
   19   1HG1  ILE   7          2HG1      ILE   7   7.362  -8.742  -3.326
   20   2HG1  ILE   7          1HG1      ILE   7   8.421  -7.533  -4.052
   21   1HG2  ILE   7          1HG2      ILE   7   5.843 -10.022  -4.659
   22   2HG2  ILE   7          2HG2      ILE   7   6.043 -10.159  -6.407
   23   3HG2  ILE   7          3HG2      ILE   7   5.241  -8.747  -5.718
   24   1HD1  ILE   7          1HD1      ILE   7   6.740  -6.011  -4.269
   25   2HD1  ILE   7          2HD1      ILE   7   5.945  -6.982  -3.030
   26   3HD1  ILE   7          3HD1      ILE   7   5.561  -7.236  -4.733
   27    HA   PRO   8           HA       PRO   8   8.630 -12.707  -8.515
   28   1HB   PRO   8          2HB       PRO   8   6.629 -14.520  -8.012
   29   2HB   PRO   8          1HB       PRO   8   8.200 -14.583  -7.218
   30   1HG   PRO   8          2HG       PRO   8   5.617 -13.484  -6.224
   31   2HG   PRO   8          1HG       PRO   8   6.820 -14.471  -5.382
   32   1HD   PRO   8          1HD       PRO   8   6.626 -11.780  -5.065
   33   2HD   PRO   8          2HD       PRO   8   8.154 -12.670  -4.896
   34    H    ASP   9           H        ASP   9   5.771 -13.807  -9.284
   35    HA   ASP   9           HA       ASP   9   4.715 -11.215 -10.349
   36   1HB   ASP   9          1HB       ASP   9   5.006 -13.945 -11.640
   37   2HB   ASP   9          2HB       ASP   9   4.148 -12.593 -12.380
   38    H    ASP  10           H        ASP  10   3.835 -12.611  -7.923
   39    HA   ASP  10           HA       ASP  10   0.978 -12.855  -8.585
   40   1HB   ASP  10          1HB       ASP  10   0.879 -15.180  -7.671
   41   2HB   ASP  10          2HB       ASP  10   1.861 -15.076  -9.132
   42    H    VAL  11           H        VAL  11   0.948 -11.036  -7.055
   43    HA   VAL  11           HA       VAL  11   1.618 -11.736  -4.227
   44    HB   VAL  11           HB       VAL  11   1.448  -9.264  -3.938
   45   1HG1  VAL  11          1HG1      VAL  11   3.165  -9.257  -6.277
   46   2HG1  VAL  11          2HG1      VAL  11   3.400 -10.730  -5.337
   47   3HG1  VAL  11          3HG1      VAL  11   3.610  -9.154  -4.571
   48   1HG2  VAL  11          1HG2      VAL  11   1.411  -8.643  -6.781
   49   2HG2  VAL  11          2HG2      VAL  11   0.438  -7.959  -5.477
   50   3HG2  VAL  11          3HG2      VAL  11  -0.080  -9.444  -6.278
   51    HA   PRO  12           HA       PRO  12  -2.645 -11.925  -3.153
   52   1HB   PRO  12          2HB       PRO  12  -2.648 -10.852  -0.635
   53   2HB   PRO  12          1HB       PRO  12  -1.994 -12.460  -1.000
   54   1HG   PRO  12          2HG       PRO  12  -0.572  -9.881  -0.566
   55   2HG   PRO  12          1HG       PRO  12  -0.115 -11.518  -0.075
   56   1HD   PRO  12          1HD       PRO  12   0.948 -10.201  -2.235
   57   2HD   PRO  12          2HD       PRO  12   0.882 -11.969  -2.081
   58    H    LEU  13           H        LEU  13  -1.197  -8.798  -2.162
   59    HA   LEU  13           HA       LEU  13  -1.966  -6.587  -2.446
   60   1HB   LEU  13          1HB       LEU  13  -2.912  -8.181  -4.728
   61   2HB   LEU  13          2HB       LEU  13  -3.906  -6.759  -4.422
   62    HG   LEU  13           HG       LEU  13  -0.883  -6.668  -4.599
   63   1HD1  LEU  13          1HD1      LEU  13  -2.413  -5.454  -6.782
   64   2HD1  LEU  13          2HD1      LEU  13  -2.612  -7.205  -6.702
   65   3HD1  LEU  13          3HD1      LEU  13  -1.000  -6.506  -6.854
   66   1HD2  LEU  13          1HD2      LEU  13  -3.092  -4.603  -4.527
   67   2HD2  LEU  13          2HD2      LEU  13  -1.453  -4.219  -5.046
   68   3HD2  LEU  13          3HD2      LEU  13  -1.744  -4.786  -3.403
   69    HA   PRO  14           HA       PRO  14  -5.718  -6.578  -0.116
   70   1HB   PRO  14          2HB       PRO  14  -5.995  -3.866   0.160
   71   2HB   PRO  14          1HB       PRO  14  -4.808  -4.825   1.052
   72   1HG   PRO  14          1HG       PRO  14  -4.396  -2.938  -1.139
   73   2HG   PRO  14          2HG       PRO  14  -3.243  -3.563   0.034
   74   1HD   PRO  14          1HD       PRO  14  -3.639  -4.359  -2.690
   75   2HD   PRO  14          2HD       PRO  14  -2.429  -4.949  -1.534
   76    H    ALA  15           H        ALA  15  -7.917  -6.524  -0.554
   77    HA   ALA  15           HA       ALA  15  -8.793  -6.048  -3.283
   78   1HB   ALA  15          1HB       ALA  15 -11.041  -6.454  -1.830
   79   2HB   ALA  15          2HB       ALA  15  -9.829  -7.067  -0.704
   80   3HB   ALA  15          3HB       ALA  15  -9.959  -7.759  -2.321
   81    H    GLY  16           H        GLY  16  -9.653  -4.200  -4.116
   82   1HA   GLY  16          1HA       GLY  16 -10.947  -2.204  -4.163
   83   2HA   GLY  16          2HA       GLY  16 -11.163  -2.337  -2.414
   84    H    TRP  17           H        TRP  17  -8.136  -2.429  -4.237
   85    HA   TRP  17           HA       TRP  17  -7.309   0.108  -2.869
   86   1HB   TRP  17          1HB       TRP  17  -6.080  -2.625  -3.095
   87   2HB   TRP  17          2HB       TRP  17  -5.029  -1.225  -2.886
   88    HD1  TRP  17           HD       TRP  17  -8.238  -2.654  -1.231
   89    HE1  TRP  17           1HE      TRP  17  -8.090  -2.214   1.309
   90    HE3  TRP  17           3HE      TRP  17  -3.790  -0.198  -1.027
   91    HZ2  TRP  17           2HZ      TRP  17  -6.289  -0.975   3.176
   92    HZ3  TRP  17           3HZ      TRP  17  -2.866   0.593   1.122
   93    HH2  TRP  17           HH       TRP  17  -4.113   0.203   3.228
   94    H    GLU  18           H        GLU  18  -5.830   1.416  -4.062
   95    HA   GLU  18           HA       GLU  18  -5.362   0.611  -6.915
   96   1HB   GLU  18          1HB       GLU  18  -5.770   3.048  -7.438
   97   2HB   GLU  18          2HB       GLU  18  -7.192   2.210  -6.818
   98   1HG   GLU  18          1HG       GLU  18  -6.631   3.086  -4.529
   99   2HG   GLU  18          2HG       GLU  18  -5.335   4.033  -5.256
  100    H    MET  19           H        MET  19  -3.275  -0.043  -5.689
  101    HA   MET  19           HA       MET  19  -1.473   1.647  -4.448
  102   1HB   MET  19          1HB       MET  19   0.232   0.111  -5.274
  103   2HB   MET  19          2HB       MET  19  -1.228  -0.773  -4.858
  104   1HG   MET  19          1HG       MET  19  -1.655  -0.142  -7.512
  105   2HG   MET  19          2HG       MET  19   0.084  -0.444  -7.454
  106   1HE   MET  19          1HE       MET  19  -3.473  -1.799  -6.811
  107   2HE   MET  19          2HE       MET  19  -2.766  -1.891  -5.200
  108   3HE   MET  19          3HE       MET  19  -3.183  -3.373  -6.056
  109    H    ALA  20           H        ALA  20  -0.522   3.486  -4.991
  110    HA   ALA  20           HA       ALA  20  -0.196   4.182  -7.889
  111   1HB   ALA  20          1HB       ALA  20  -0.644   6.432  -7.214
  112   2HB   ALA  20          2HB       ALA  20  -0.347   6.057  -5.517
  113   3HB   ALA  20          3HB       ALA  20  -1.799   5.452  -6.311
  114    H    LYS  21           H        LYS  21   1.471   6.536  -6.805
  115    HA   LYS  21           HA       LYS  21   3.849   5.119  -5.739
  116   1HB   LYS  21          1HB       LYS  21   3.631   6.486  -8.436
  117   2HB   LYS  21          2HB       LYS  21   5.181   6.134  -7.674
  118   1HG   LYS  21          1HG       LYS  21   4.494   3.724  -7.527
  119   2HG   LYS  21          2HG       LYS  21   3.041   4.126  -8.441
  120   1HD   LYS  21          1HD       LYS  21   5.589   5.071  -9.623
  121   2HD   LYS  21          2HD       LYS  21   5.369   3.321  -9.599
  122   1HE   LYS  21          1HE       LYS  21   3.133   5.110 -10.555
  123   2HE   LYS  21          2HE       LYS  21   4.441   4.637 -11.655
  124   1HZ   LYS  21          1HZ       LYS  21   4.052   2.328 -11.088
  125   2HZ   LYS  21          2HZ       LYS  21   2.607   3.018 -11.656
  126   3HZ   LYS  21          3HZ       LYS  21   2.833   2.762  -9.992
  127    H    THR  22           H        THR  22   4.957   6.457  -4.362
  128    HA   THR  22           HA       THR  22   3.990   8.987  -3.546
  129    HB   THR  22           HB       THR  22   6.107   9.091  -2.324
  130    HG1  THR  22           1HG      THR  22   7.701   7.474  -2.877
  131   1HG2  THR  22          1HG2      THR  22   4.422   6.754  -2.442
  132   2HG2  THR  22          2HG2      THR  22   5.223   7.471  -1.043
  133   3HG2  THR  22          3HG2      THR  22   6.071   6.282  -2.034
  134    H    SER  23           H        SER  23   6.000  10.830  -3.558
  135    HA   SER  23           HA       SER  23   5.886  11.933  -6.233
  136   1HB   SER  23          2HB       SER  23   7.802  12.795  -4.078
  137   2HB   SER  23          1HB       SER  23   6.873  13.794  -5.197
  138    HG   SER  23           HG       SER  23   6.211  12.910  -2.741
  139    H    ESD  24           H        ESD  24   8.142   9.872  -4.552
  140   1HG   ESD  24          1HG       ESD  24   9.895   7.966  -7.245
  141   2HG   ESD  24          2HG       ESD  24   8.396   8.070  -6.319
  142   2HD   ESD  24          2HD       ESD  24  10.561   9.692  -5.166
  143   1HD   ESD  24          1HD       ESD  24  10.095  10.203  -6.800
  144   2HA   ESD  24          2HA       ESD  24   8.518   5.891  -6.381
  145   1HA   ESD  24          1HA       ESD  24   8.579   5.393  -4.652
  146    H    GLY  25           H        GLY  25  10.392   4.714  -3.419
  147   1HA   GLY  25          1HA       GLY  25  11.077   2.176  -4.820
  148   2HA   GLY  25          2HA       GLY  25  11.909   2.805  -3.397
  149    H    GLN  26           H        GLN  26  10.242   3.128  -1.463
  150    HA   GLN  26           HA       GLN  26   9.401   0.604  -0.549
  151   1HB   GLN  26          2HB       GLN  26   9.746   2.737   0.745
  152   2HB   GLN  26          1HB       GLN  26   8.199   3.309   0.118
  153   1HG   GLN  26          2HG       GLN  26   7.687   2.362   2.240
  154   2HG   GLN  26          1HG       GLN  26   7.202   1.136   1.067
  155   1HE2  GLN  26          1HE2      GLN  26   7.936  -0.919   1.607
  156   2HE2  GLN  26          2HE2      GLN  26   9.349  -1.257   2.484
  157    H    ARG  27           H        ARG  27   7.639   2.998  -2.474
  158    HA   ARG  27           HA       ARG  27   5.553   2.857  -3.576
  159   1HB   ARG  27          1HB       ARG  27   6.701   0.099  -3.438
  160   2HB   ARG  27          2HB       ARG  27   5.038   0.265  -4.001
  161   1HG   ARG  27          1HG       ARG  27   5.664   1.589  -5.844
  162   2HG   ARG  27          2HG       ARG  27   7.218   2.015  -5.127
  163   1HD   ARG  27          2HD       ARG  27   7.368  -0.747  -5.269
  164   2HD   ARG  27          1HD       ARG  27   6.505  -0.322  -6.760
  165    HE   ARG  27           HE       ARG  27   8.625   1.543  -6.418
  166   1HH1  ARG  27          1HH2      ARG  27   8.146  -1.849  -7.035
  167   2HH1  ARG  27          2HH2      ARG  27   9.623  -2.010  -7.919
  168   1HH2  ARG  27          1HH1      ARG  27  10.539   1.310  -7.569
  169   2HH2  ARG  27          2HH1      ARG  27  10.970  -0.237  -8.219
  170    H    TYR  28           H        TYR  28   3.275   1.830  -3.315
  171    HA   TYR  28           HA       TYR  28   2.609   0.618  -0.753
  172   1HB   TYR  28          2HB       TYR  28   1.528   2.579   0.220
  173   2HB   TYR  28          1HB       TYR  28   3.196   2.989  -0.166
  174    HD1  TYR  28           1HD      TYR  28   3.491   3.917  -2.725
  175    HD2  TYR  28           2HD      TYR  28  -0.103   4.128  -0.376
  176    HE1  TYR  28           1HE      TYR  28   2.703   5.818  -4.088
  177    HE2  TYR  28           2HE      TYR  28  -0.881   6.029  -1.748
  178    HH   TYR  28           HH       TYR  28   0.955   7.149  -4.568
  179    H    PHE  29           H        PHE  29   0.149   0.486  -0.522
  180    HA   PHE  29           HA       PHE  29  -0.971   0.232  -3.230
  181   1HB   PHE  29          2HB       PHE  29  -1.717  -0.991  -0.584
  182   2HB   PHE  29          1HB       PHE  29  -2.557  -1.336  -2.101
  183    HD1  PHE  29           1HD      PHE  29  -1.394  -2.466  -3.953
  184    HD2  PHE  29           2HD      PHE  29   0.536  -1.791  -0.181
  185    HE1  PHE  29           1HE      PHE  29   0.424  -4.009  -4.614
  186    HE2  PHE  29           2HE      PHE  29   2.350  -3.345  -0.834
  187    HZ   PHE  29           HZ       PHE  29   2.295  -4.463  -3.048
  188    H    LEU  30           H        LEU  30  -0.967   2.575  -1.141
  189    HA   LEU  30           HA       LEU  30  -2.416   4.397  -0.687
  190   1HB   LEU  30          2HB       LEU  30  -2.231   3.743  -3.335
  191   2HB   LEU  30          1HB       LEU  30  -3.973   3.704  -3.098
  192    HG   LEU  30           HG       LEU  30  -2.804   6.016  -1.784
  193   1HD1  LEU  30          1HD2      LEU  30  -1.327   5.449  -3.949
  194   2HD1  LEU  30          2HD2      LEU  30  -1.748   7.108  -3.520
  195   3HD1  LEU  30          3HD2      LEU  30  -2.672   6.254  -4.755
  196   1HD2  LEU  30          1HD1      LEU  30  -5.121   5.242  -3.352
  197   2HD2  LEU  30          2HD1      LEU  30  -4.489   6.798  -3.885
  198   3HD2  LEU  30          3HD1      LEU  30  -4.948   6.565  -2.198
  199    H    ASN  31           H        ASN  31  -3.685   3.764   1.144
  200    HA   ASN  31           HA       ASN  31  -5.982   1.952   0.841
  201   1HB   ASN  31          1HB       ASN  31  -4.355   2.422   2.864
  202   2HB   ASN  31          2HB       ASN  31  -5.448   3.763   3.185
  203   1HD2  ASN  31          1HD2      ASN  31  -7.952   2.571   2.499
  204   2HD2  ASN  31          2HD2      ASN  31  -8.252   1.287   3.563
  205    H    HIS  32           H        HIS  32  -6.472   3.900  -0.983
  206    HA   HIS  32           HA       HIS  32  -7.821   6.243   0.044
  207   1HB   HIS  32          1HB       HIS  32  -6.837   6.088  -2.199
  208   2HB   HIS  32          2HB       HIS  32  -7.938   4.775  -2.614
  209    HD1  HIS  32           1HD      HIS  32  -9.927   5.542  -3.889
  210    HD2  HIS  32           2HD      HIS  32  -8.523   8.520  -1.330
  211    HE1  HIS  32           1HE      HIS  32 -11.424   7.554  -4.241
  212    H    ILE  33           H        ILE  33  -8.815   2.941  -0.612
  213    HA   ILE  33           HA       ILE  33 -11.570   3.108  -0.963
  214    HB   ILE  33           HB       ILE  33 -10.368   1.031  -0.961
  215   1HG1  ILE  33          2HG1      ILE  33 -11.803   0.196   1.362
  216   2HG1  ILE  33          1HG1      ILE  33 -12.746   1.436   0.536
  217   1HG2  ILE  33          1HG2      ILE  33  -9.979   1.106   2.003
  218   2HG2  ILE  33          2HG2      ILE  33  -8.779   1.812   0.924
  219   3HG2  ILE  33          3HG2      ILE  33  -9.169   0.098   0.806
  220   1HD1  ILE  33          1HD1      ILE  33 -11.489  -0.772  -1.068
  221   2HD1  ILE  33          2HD1      ILE  33 -12.932   0.178  -1.422
  222   3HD1  ILE  33          3HD1      ILE  33 -12.987  -1.084  -0.191
  223    H    ASP  34           H        ASP  34  -9.908   3.045   2.178
  224    HA   ASP  34           HA       ASP  34 -11.941   4.820   3.352
  225   1HB   ASP  34          1HB       ASP  34 -12.991   2.588   3.377
  226   2HB   ASP  34          2HB       ASP  34 -11.589   1.932   4.221
  227    H    GLN  35           H        GLN  35  -9.137   5.180   3.063
  228    HA   GLN  35           HA       GLN  35  -8.368   5.787   5.773
  229   1HB   GLN  35          2HB       GLN  35  -8.073   3.117   5.017
  230   2HB   GLN  35          1HB       GLN  35  -6.452   3.788   4.842
  231   1HG   GLN  35          2HG       GLN  35  -7.418   4.870   7.242
  232   2HG   GLN  35          1HG       GLN  35  -7.930   3.183   7.268
  233   1HE2  GLN  35          1HE2      GLN  35  -6.362   1.742   8.003
  234   2HE2  GLN  35          2HE2      GLN  35  -4.689   2.033   7.993
  235    H    THR  36           H        THR  36  -5.483   5.411   5.258
  236    HA   THR  36           HA       THR  36  -5.120   7.411   3.050
  237    HB   THR  36           HB       THR  36  -3.267   8.276   4.528
  238    HG1  THR  36           1HG      THR  36  -4.473   6.680   6.518
  239   1HG2  THR  36          1HG2      THR  36  -6.111   8.504   4.870
  240   2HG2  THR  36          2HG2      THR  36  -4.868   9.727   5.137
  241   3HG2  THR  36          3HG2      THR  36  -5.325   8.633   6.444
  242    H    THR  37           H        THR  37  -2.779   7.391   2.239
  243    HA   THR  37           HA       THR  37  -2.035   4.920   1.146
  244    HB   THR  37           HB       THR  37   0.087   6.052   0.673
  245    HG1  THR  37           1HG      THR  37   0.243   8.216   1.736
  246   1HG2  THR  37          1HG2      THR  37  -1.757   8.377   0.660
  247   2HG2  THR  37          2HG2      THR  37  -2.355   6.911  -0.116
  248   3HG2  THR  37          3HG2      THR  37  -0.851   7.648  -0.667
  249    H    THR  38           H        THR  38  -1.060   3.122   1.982
  250    HA   THR  38           HA       THR  38   0.366   3.370   4.612
  251    HB   THR  38           HB       THR  38  -1.808   2.323   4.911
  252    HG1  THR  38           1HG      THR  38  -0.769   1.002   6.138
  253   1HG2  THR  38          1HG2      THR  38  -2.220   0.136   3.614
  254   2HG2  THR  38          2HG2      THR  38  -0.958   0.693   2.517
  255   3HG2  THR  38          3HG2      THR  38  -2.428   1.646   2.729
  256    H    TRP  39           H        TRP  39   2.332   2.253   4.734
  257    HA   TRP  39           HA       TRP  39   3.681   1.569   2.296
  258   1HB   TRP  39          1HB       TRP  39   4.226   1.109   5.236
  259   2HB   TRP  39          2HB       TRP  39   5.390   0.693   3.977
  260    HD1  TRP  39           HD       TRP  39   5.002   3.284   6.293
  261    HE1  TRP  39           1HE      TRP  39   5.797   5.577   5.423
  262    HE3  TRP  39           3HE      TRP  39   5.134   2.332   1.273
  263    HZ2  TRP  39           2HZ      TRP  39   6.408   6.839   2.932
  264    HZ3  TRP  39           3HZ      TRP  39   5.825   4.096  -0.322
  265    HH2  TRP  39           HH       TRP  39   6.462   6.347   0.500
  266    H    GLN  40           H        GLN  40   3.620  -0.769   4.958
  267    HA   GLN  40           HA       GLN  40   2.862  -2.870   2.958
  268   1HB   GLN  40          2HB       GLN  40   4.956  -2.541   4.910
  269   2HB   GLN  40          1HB       GLN  40   4.007  -3.972   5.312
  270   1HG   GLN  40          1HG       GLN  40   4.661  -5.093   3.429
  271   2HG   GLN  40          2HG       GLN  40   4.659  -3.634   2.439
  272   1HE2  GLN  40          1HE2      GLN  40   6.427  -4.054   5.521
  273   2HE2  GLN  40          2HE2      GLN  40   7.974  -3.905   4.841
  274    H    ASP  41           H        ASP  41   0.542  -2.171   3.535
  275    HA   ASP  41           HA       ASP  41  -0.468  -2.776   6.200
  276   1HB   ASP  41          1HB       ASP  41  -1.319  -1.572   3.743
  277   2HB   ASP  41          2HB       ASP  41  -2.509  -2.789   4.202
  278    HA   PRO  42           HA       PRO  42  -2.242  -6.679   4.105
  279   1HB   PRO  42          2HB       PRO  42  -1.519  -7.245   1.527
  280   2HB   PRO  42          1HB       PRO  42  -2.931  -6.253   1.939
  281   1HG   PRO  42          1HG       PRO  42  -0.222  -5.420   1.030
  282   2HG   PRO  42          2HG       PRO  42  -1.804  -4.741   0.625
  283   1HD   PRO  42          2HD       PRO  42  -0.079  -3.632   2.437
  284   2HD   PRO  42          1HD       PRO  42  -1.840  -3.407   2.481
  285    H    ARG  43           H        ARG  43  -0.990  -8.728   2.674
  286    HA   ARG  43           HA       ARG  43   1.666  -8.901   4.056
  287   1HB   ARG  43          2HB       ARG  43   1.192 -11.344   4.016
  288   2HB   ARG  43          1HB       ARG  43  -0.089 -10.445   4.829
  289   1HG   ARG  43          1HG       ARG  43  -1.625 -10.976   3.241
  290   2HG   ARG  43          2HG       ARG  43  -0.483 -10.713   1.924
  291   1HD   ARG  43          1HD       ARG  43   0.371 -12.910   2.061
  292   2HD   ARG  43          2HD       ARG  43  -0.237 -13.137   3.713
  293    HE   ARG  43           HE       ARG  43  -2.402 -12.556   1.888
  294   1HH1  ARG  43          1HH2      ARG  43  -0.226 -15.069   2.923
  295   2HH1  ARG  43          2HH2      ARG  43  -1.316 -16.340   2.494
  296   1HH2  ARG  43          1HH1      ARG  43  -3.801 -14.224   1.341
  297   2HH2  ARG  43          2HH1      ARG  43  -3.326 -15.869   1.605
  298    H    LYS  44           H        LYS  44   2.109  -7.624   1.808
  299    HA   LYS  44           HA       LYS  44   2.443  -9.508  -0.462
  300   1HB   LYS  44          2HB       LYS  44   1.744  -6.869  -0.230
  301   2HB   LYS  44          1HB       LYS  44   3.458  -6.733  -0.614
  302   1HG   LYS  44          2HG       LYS  44   2.382  -8.748  -2.308
  303   2HG   LYS  44          1HG       LYS  44   1.280  -7.373  -2.375
  304   1HD   LYS  44          1HD       LYS  44   3.638  -6.061  -2.520
  305   2HD   LYS  44          2HD       LYS  44   4.107  -7.585  -3.275
  306   1HE   LYS  44          1HE       LYS  44   2.472  -7.360  -4.995
  307   2HE   LYS  44          2HE       LYS  44   1.604  -6.091  -4.109
  308   1HZ   LYS  44          1HZ       LYS  44   4.260  -5.952  -5.410
  309   2HZ   LYS  44          2HZ       LYS  44   3.829  -4.861  -4.183
  310   3HZ   LYS  44          3HZ       LYS  44   2.930  -4.924  -5.622
  311   1HN   NH2  45          1HN       NH2  45   4.626  -9.792  -1.449
  312   2HN   NH2  45          2HN       NH2  45   6.028  -9.603  -0.510
  313    H    GLY  45           H        GLY  45  14.782  12.723   2.224
  314   1HA   GLY  45          2HA       GLY  45  15.350  11.317   4.023
  315   2HA   GLY  45          1HA       GLY  45  14.294  12.292   5.045
  316    H    THR  46           H        THR  46  11.907  11.889   4.767
  317    HA   THR  46           HA       THR  46  11.241   9.185   3.712
  318    HB   THR  46           HB       THR  46  11.940   8.872   6.037
  319    HG1  THR  46           1HG      THR  46  10.321   7.544   5.933
  320   1HG2  THR  46          1HG2      THR  46  11.753  10.912   7.124
  321   2HG2  THR  46          2HG2      THR  46  10.328  10.081   7.751
  322   3HG2  THR  46          3HG2      THR  46  10.163  11.250   6.439
  323    HA   PRO  47           HA       PRO  47   7.985  12.562   3.303
  324   1HB   PRO  47          2HB       PRO  47   7.957  12.705   0.571
  325   2HB   PRO  47          1HB       PRO  47   9.012  13.710   1.582
  326   1HG   PRO  47          2HG       PRO  47   9.641  11.227   0.057
  327   2HG   PRO  47          1HG       PRO  47  10.613  12.690   0.278
  328   1HD   PRO  47          1HD       PRO  47  11.027  10.372   1.662
  329   2HD   PRO  47          2HD       PRO  47  11.448  11.978   2.290
  330    HA   PRO  48           HA       PRO  48   5.554   8.813   2.545
  331   1HB   PRO  48          2HB       PRO  48   3.279   9.710   3.774
  332   2HB   PRO  48          1HB       PRO  48   4.656   9.031   4.664
  333   1HG   PRO  48          2HG       PRO  48   3.879  11.878   4.241
  334   2HG   PRO  48          1HG       PRO  48   4.535  11.091   5.684
  335   1HD   PRO  48          1HD       PRO  48   6.025  12.618   3.976
  336   2HD   PRO  48          2HD       PRO  48   6.699  11.306   4.964
  337    HA   PRO  49           HA       PRO  49   3.336  10.213  -1.000
  338   1HB   PRO  49          2HB       PRO  49   1.433   8.259  -1.243
  339   2HB   PRO  49          1HB       PRO  49   3.141   8.000  -1.643
  340   1HG   PRO  49          1HG       PRO  49   1.633   7.224   0.802
  341   2HG   PRO  49          2HG       PRO  49   2.885   6.338  -0.081
  342   1HD   PRO  49          2HD       PRO  49   3.347   7.708   2.238
  343   2HD   PRO  49          1HD       PRO  49   4.589   7.434   0.996
  344    HA   PRO  50           HA       PRO  50  -0.076  12.472   0.698
  345   1HB   PRO  50          2HB       PRO  50  -1.136  13.458  -1.624
  346   2HB   PRO  50          1HB       PRO  50   0.356  14.089  -0.899
  347   1HG   PRO  50          2HG       PRO  50   0.007  12.212  -3.180
  348   2HG   PRO  50          1HG       PRO  50   1.186  13.514  -2.958
  349   1HD   PRO  50          2HD       PRO  50   1.762  10.869  -2.586
  350   2HD   PRO  50          1HD       PRO  50   2.620  12.191  -1.770
  351    H    TYR  51           H        TYR  51  -2.593  12.759  -0.151
  352    HA   TYR  51           HA       TYR  51  -3.593   9.954  -0.462
  353   1HB   TYR  51          2HB       TYR  51  -4.069  11.423   1.590
  354   2HB   TYR  51          1HB       TYR  51  -5.083  12.396   0.524
  355    HD1  TYR  51           1HD      TYR  51  -7.327  11.927   0.989
  356    HD2  TYR  51           2HD      TYR  51  -4.504   8.698   0.758
  357    HE1  TYR  51           1HE      TYR  51  -9.173  10.293   1.255
  358    HE2  TYR  51           2HE      TYR  51  -6.350   7.064   1.024
  359    HH   TYR  51           HH       TYR  51  -9.626   8.101   1.770
  360    H    THR  52           H        THR  52  -4.146  13.308  -1.557
  361    HA   THR  52           HA       THR  52  -5.227  14.125  -3.495
  362    HB   THR  52           HB       THR  52  -4.520  11.394  -4.593
  363    HG1  THR  52           1HG      THR  52  -2.570  11.850  -4.008
  364   1HG2  THR  52          1HG2      THR  52  -4.634  14.186  -5.764
  365   2HG2  THR  52          2HG2      THR  52  -5.711  12.839  -6.135
  366   3HG2  THR  52          3HG2      THR  52  -4.018  12.773  -6.624
  367    H    VAL  53           H        VAL  53  -7.364  13.997  -2.423
  368    HA   VAL  53           HA       VAL  53  -9.028  11.646  -2.552
  369    HB   VAL  53           HB       VAL  53 -10.788  13.287  -1.944
  370   1HG1  VAL  53          1HG1      VAL  53  -9.935  13.616   0.161
  371   2HG1  VAL  53          2HG1      VAL  53  -8.429  14.303  -0.446
  372   3HG1  VAL  53          3HG1      VAL  53  -8.663  12.556  -0.443
  373   1HG2  VAL  53          1HG2      VAL  53  -9.207  15.028  -3.475
  374   2HG2  VAL  53          2HG2      VAL  53  -9.051  15.612  -1.818
  375   3HG2  VAL  53          3HG2      VAL  53 -10.647  15.454  -2.552
  376    H    GLY  54           H        GLY  54  -8.390  11.253  -4.964
  377   1HA   GLY  54          2HA       GLY  54 -10.617  12.251  -6.623
  378   2HA   GLY  54          1HA       GLY  54  -8.995  12.637  -7.201
  Start of MODEL    6
    1    H    PHE   5           H        PHE   5  10.002 -10.882 -12.451
    2    HA   PHE   5           HA       PHE   5   7.661 -12.155 -13.638
    3   1HB   PHE   5          2HB       PHE   5   7.763 -14.144 -12.126
    4   2HB   PHE   5          1HB       PHE   5   9.109 -14.100 -13.267
    5    HD1  PHE   5           1HD      PHE   5   8.115 -13.838  -9.756
    6    HD2  PHE   5           2HD      PHE   5  11.371 -13.406 -12.525
    7    HE1  PHE   5           1HE      PHE   5   9.721 -13.847  -7.868
    8    HE2  PHE   5           2HE      PHE   5  12.977 -13.414 -10.636
    9    HZ   PHE   5           HZ       PHE   5  12.153 -13.636  -8.307
   10    H    GLU   6           H        GLU   6   9.370 -11.278 -10.646
   11    HA   GLU   6           HA       GLU   6   8.555 -10.488  -8.565
   12   1HB   GLU   6          2HB       GLU   6   7.492  -8.341  -8.902
   13   2HB   GLU   6          1HB       GLU   6   8.653  -8.586 -10.205
   14   1HG   GLU   6          2HG       GLU   6   6.920  -9.150 -11.763
   15   2HG   GLU   6          1HG       GLU   6   5.716  -9.267 -10.478
   16    H    ILE   7           H        ILE   7   6.044  -9.369  -7.914
   17    HA   ILE   7           HA       ILE   7   4.544 -11.616  -7.094
   18    HB   ILE   7           HB       ILE   7   3.798  -8.719  -7.597
   19   1HG1  ILE   7          1HG1      ILE   7   4.585 -10.252  -5.099
   20   2HG1  ILE   7          2HG1      ILE   7   5.598  -9.093  -5.955
   21   1HG2  ILE   7          1HG2      ILE   7   2.295 -10.954  -6.218
   22   2HG2  ILE   7          2HG2      ILE   7   1.720  -9.894  -7.505
   23   3HG2  ILE   7          3HG2      ILE   7   1.972  -9.252  -5.882
   24   1HD1  ILE   7          1HD1      ILE   7   3.497  -8.609  -4.003
   25   2HD1  ILE   7          2HD1      ILE   7   3.183  -7.739  -5.505
   26   3HD1  ILE   7          3HD1      ILE   7   4.701  -7.491  -4.643
   27    HA   PRO   8           HA       PRO   8   2.710 -12.629 -11.043
   28   1HB   PRO   8          2HB       PRO   8   1.104 -14.666 -10.164
   29   2HB   PRO   8          1HB       PRO   8   2.845 -14.851 -10.442
   30   1HG   PRO   8          2HG       PRO   8   1.355 -14.481  -7.892
   31   2HG   PRO   8          1HG       PRO   8   2.785 -15.464  -8.231
   32   1HD   PRO   8          1HD       PRO   8   2.860 -13.028  -6.981
   33   2HD   PRO   8          2HD       PRO   8   4.220 -13.732  -7.880
   34    H    ASP   9           H        ASP   9   0.030 -13.532  -8.924
   35    HA   ASP   9           HA       ASP   9  -1.388 -11.023  -9.035
   36   1HB   ASP   9          2HB       ASP   9  -1.160 -12.207 -11.471
   37   2HB   ASP   9          1HB       ASP   9  -2.649 -12.963 -10.900
   38    H    ASP  10           H        ASP  10  -0.902 -13.356  -7.226
   39    HA   ASP  10           HA       ASP  10  -3.472 -14.740  -6.977
   40   1HB   ASP  10          1HB       ASP  10  -0.847 -14.641  -5.507
   41   2HB   ASP  10          2HB       ASP  10  -2.227 -15.476  -4.795
   42    H    VAL  11           H        VAL  11  -2.037 -13.501  -4.042
   43    HA   VAL  11           HA       VAL  11  -3.895 -11.238  -3.809
   44    HB   VAL  11           HB       VAL  11  -5.313 -13.215  -3.453
   45   1HG1  VAL  11          1HG1      VAL  11  -4.631 -15.001  -2.221
   46   2HG1  VAL  11          2HG1      VAL  11  -3.980 -13.979  -0.939
   47   3HG1  VAL  11          3HG1      VAL  11  -3.019 -14.304  -2.383
   48   1HG2  VAL  11          1HG2      VAL  11  -6.385 -12.287  -1.644
   49   2HG2  VAL  11          2HG2      VAL  11  -5.225 -10.992  -1.942
   50   3HG2  VAL  11          3HG2      VAL  11  -4.907 -12.190  -0.687
   51    HA   PRO  12           HA       PRO  12  -0.104 -11.519  -0.950
   52   1HB   PRO  12          2HB       PRO  12   1.536  -9.778  -2.280
   53   2HB   PRO  12          1HB       PRO  12   1.535 -11.525  -2.585
   54   1HG   PRO  12          2HG       PRO  12   0.247  -9.324  -4.131
   55   2HG   PRO  12          1HG       PRO  12   1.070 -10.776  -4.714
   56   1HD   PRO  12          2HD       PRO  12  -1.656 -10.530  -4.593
   57   2HD   PRO  12          1HD       PRO  12  -0.806 -12.080  -4.480
   58    H    LEU  13           H        LEU  13  -1.067  -8.645  -2.862
   59    HA   LEU  13           HA       LEU  13  -0.878  -6.947  -0.451
   60   1HB   LEU  13          1HB       LEU  13  -0.723  -5.213  -2.013
   61   2HB   LEU  13          2HB       LEU  13  -0.104  -6.559  -2.951
   62    HG   LEU  13           HG       LEU  13  -2.798  -6.739  -3.459
   63   1HD1  LEU  13          1HD2      LEU  13  -2.023  -3.852  -3.019
   64   2HD1  LEU  13          2HD2      LEU  13  -3.452  -4.701  -2.430
   65   3HD1  LEU  13          3HD2      LEU  13  -3.311  -4.299  -4.140
   66   1HD2  LEU  13          1HD1      LEU  13  -1.443  -6.921  -5.317
   67   2HD2  LEU  13          2HD1      LEU  13  -0.418  -5.571  -4.829
   68   3HD2  LEU  13          3HD1      LEU  13  -1.997  -5.262  -5.550
   69    HA   PRO  14           HA       PRO  14  -5.149  -6.718   0.503
   70   1HB   PRO  14          2HB       PRO  14  -5.847  -4.086   0.349
   71   2HB   PRO  14          1HB       PRO  14  -4.884  -4.770   1.665
   72   1HG   PRO  14          1HG       PRO  14  -3.984  -3.282  -0.766
   73   2HG   PRO  14          2HG       PRO  14  -3.436  -3.128   0.908
   74   1HD   PRO  14          2HD       PRO  14  -2.041  -4.482  -0.936
   75   2HD   PRO  14          1HD       PRO  14  -2.087  -4.990   0.760
   76    H    ALA  15           H        ALA  15  -7.387  -6.085  -0.275
   77    HA   ALA  15           HA       ALA  15  -7.531  -6.412  -3.235
   78   1HB   ALA  15          1HB       ALA  15  -9.616  -6.665  -1.054
   79   2HB   ALA  15          2HB       ALA  15  -8.581  -7.989  -1.592
   80   3HB   ALA  15          3HB       ALA  15  -9.744  -7.268  -2.706
   81    H    GLY  16           H        GLY  16  -8.818  -4.998  -4.526
   82   1HA   GLY  16          1HA       GLY  16  -9.687  -2.886  -5.131
   83   2HA   GLY  16          2HA       GLY  16 -10.664  -3.066  -3.672
   84    H    TRP  17           H        TRP  17  -7.198  -3.036  -3.496
   85    HA   TRP  17           HA       TRP  17  -7.316  -0.484  -1.965
   86   1HB   TRP  17          1HB       TRP  17  -5.990  -3.066  -1.815
   87   2HB   TRP  17          2HB       TRP  17  -4.814  -1.755  -1.743
   88    HD1  TRP  17           HD       TRP  17  -8.089  -2.870  -0.002
   89    HE1  TRP  17           1HE      TRP  17  -8.045  -1.955   2.415
   90    HE3  TRP  17           3HE      TRP  17  -3.730  -0.245  -0.143
   91    HZ2  TRP  17           2HZ      TRP  17  -6.349  -0.336   4.075
   92    HZ3  TRP  17           3HZ      TRP  17  -2.901   0.959   1.855
   93    HH2  TRP  17           HH       TRP  17  -4.208   0.916   3.969
   94    H    GLU  18           H        GLU  18  -6.934   1.207  -3.413
   95    HA   GLU  18           HA       GLU  18  -5.410   1.042  -5.821
   96   1HB   GLU  18          2HB       GLU  18  -7.009   2.873  -4.578
   97   2HB   GLU  18          1HB       GLU  18  -5.421   3.599  -4.318
   98   1HG   GLU  18          1HG       GLU  18  -5.828   4.475  -6.398
   99   2HG   GLU  18          2HG       GLU  18  -5.164   2.924  -6.914
  100    H    MET  19           H        MET  19  -3.200   1.517  -6.220
  101    HA   MET  19           HA       MET  19  -1.534   1.937  -3.789
  102   1HB   MET  19          1HB       MET  19   0.024   0.283  -4.621
  103   2HB   MET  19          2HB       MET  19  -1.590  -0.407  -4.527
  104   1HG   MET  19          1HG       MET  19  -0.784   0.861  -7.111
  105   2HG   MET  19          2HG       MET  19  -0.084  -0.704  -6.709
  106   1HE   MET  19          1HE       MET  19  -1.298  -2.595  -5.850
  107   2HE   MET  19          2HE       MET  19  -2.937  -3.081  -6.279
  108   3HE   MET  19          3HE       MET  19  -2.676  -1.988  -4.922
  109    H    ALA  20           H        ALA  20   0.303   3.248  -4.080
  110    HA   ALA  20           HA       ALA  20   0.996   4.237  -6.771
  111   1HB   ALA  20          1HB       ALA  20  -0.756   5.606  -4.815
  112   2HB   ALA  20          2HB       ALA  20  -0.662   5.803  -6.565
  113   3HB   ALA  20          3HB       ALA  20   0.505   6.618  -5.521
  114    H    LYS  21           H        LYS  21   2.974   5.520  -6.709
  115    HA   LYS  21           HA       LYS  21   4.636   4.959  -4.313
  116   1HB   LYS  21          1HB       LYS  21   5.208   4.512  -6.804
  117   2HB   LYS  21          2HB       LYS  21   5.480   6.251  -6.909
  118   1HG   LYS  21          2HG       LYS  21   6.760   4.867  -4.614
  119   2HG   LYS  21          1HG       LYS  21   7.420   4.500  -6.207
  120   1HD   LYS  21          2HD       LYS  21   8.242   6.614  -6.500
  121   2HD   LYS  21          1HD       LYS  21   6.881   7.366  -5.668
  122   1HE   LYS  21          2HE       LYS  21   8.582   7.719  -4.101
  123   2HE   LYS  21          1HE       LYS  21   7.975   6.147  -3.548
  124   1HZ   LYS  21          1HZ       LYS  21   9.619   5.033  -4.848
  125   2HZ   LYS  21          2HZ       LYS  21  10.428   6.219  -3.940
  126   3HZ   LYS  21          3HZ       LYS  21  10.113   6.476  -5.590
  127    H    THR  22           H        THR  22   6.130   6.786  -3.609
  128    HA   THR  22           HA       THR  22   4.551   9.268  -3.287
  129    HB   THR  22           HB       THR  22   6.247   9.736  -1.573
  130    HG1  THR  22           1HG      THR  22   8.141   9.030  -2.177
  131   1HG2  THR  22          1HG2      THR  22   5.245   8.283  -0.180
  132   2HG2  THR  22          2HG2      THR  22   6.020   6.906  -0.963
  133   3HG2  THR  22          3HG2      THR  22   4.504   7.545  -1.599
  134    H    SER  23           H        SER  23   5.470   8.906  -5.940
  135    HA   SER  23           HA       SER  23   6.858  11.382  -6.423
  136   1HB   SER  23          1HB       SER  23   8.845  10.414  -5.657
  137   2HB   SER  23          2HB       SER  23   8.399   8.809  -6.236
  138    HG   SER  23           HG       SER  23   9.786  10.745  -7.483
  139    H    ESD  24           H        ESD  24   7.213   8.197  -8.013
  140   1HG   ESD  24          1HG       ESD  24   4.868   6.915 -10.354
  141   2HG   ESD  24          2HG       ESD  24   5.657   6.773  -8.784
  142   2HD   ESD  24          2HD       ESD  24   7.072   8.585 -10.623
  143   1HD   ESD  24          1HD       ESD  24   5.433   9.128 -10.210
  144   2HA   ESD  24          2HA       ESD  24   7.329   6.034  -8.115
  145   1HA   ESD  24          1HA       ESD  24   8.821   5.601  -9.023
  146    H    GLY  25           H        GLY  25   9.204   4.398  -7.113
  147   1HA   GLY  25          1HA       GLY  25   8.733   1.632  -8.112
  148   2HA   GLY  25          2HA       GLY  25  10.384   2.159  -7.786
  149    H    GLN  26           H        GLN  26   7.279   2.568  -6.046
  150    HA   GLN  26           HA       GLN  26   8.010   0.852  -3.845
  151   1HB   GLN  26          2HB       GLN  26   9.602   2.938  -3.825
  152   2HB   GLN  26          1HB       GLN  26   8.193   3.786  -3.185
  153   1HG   GLN  26          2HG       GLN  26   9.501   2.961  -1.314
  154   2HG   GLN  26          1HG       GLN  26   8.017   2.014  -1.411
  155   1HE2  GLN  26          1HE2      GLN  26  11.485   1.928  -2.342
  156   2HE2  GLN  26          2HE2      GLN  26  11.598   0.234  -2.356
  157    H    ARG  27           H        ARG  27   5.639   1.104  -5.268
  158    HA   ARG  27           HA       ARG  27   3.673   2.901  -4.373
  159   1HB   ARG  27          1HB       ARG  27   3.741   0.063  -5.344
  160   2HB   ARG  27          2HB       ARG  27   2.208   0.732  -4.789
  161   1HG   ARG  27          1HG       ARG  27   2.104   2.280  -6.507
  162   2HG   ARG  27          2HG       ARG  27   3.856   2.369  -6.671
  163   1HD   ARG  27          1HD       ARG  27   2.626  -0.271  -7.291
  164   2HD   ARG  27          2HD       ARG  27   2.312   1.037  -8.448
  165    HE   ARG  27           HE       ARG  27   5.068   1.129  -7.730
  166   1HH1  ARG  27          1HH2      ARG  27   2.818  -0.912  -9.429
  167   2HH1  ARG  27          2HH2      ARG  27   4.027  -1.554 -10.486
  168   1HH2  ARG  27          1HH1      ARG  27   6.621   0.281  -9.113
  169   2HH2  ARG  27          2HH1      ARG  27   6.165  -0.885 -10.309
  170    H    TYR  28           H        TYR  28   2.467   3.074  -2.488
  171    HA   TYR  28           HA       TYR  28   3.073   1.093  -0.320
  172   1HB   TYR  28          2HB       TYR  28   2.378   3.051   1.158
  173   2HB   TYR  28          1HB       TYR  28   3.840   3.319   0.212
  174    HD1  TYR  28           1HD      TYR  28   3.924   4.983  -1.519
  175    HD2  TYR  28           2HD      TYR  28   0.201   4.078   0.427
  176    HE1  TYR  28           1HE      TYR  28   2.899   6.986  -2.552
  177    HE2  TYR  28           2HE      TYR  28  -0.820   6.083  -0.610
  178    HH   TYR  28           HH       TYR  28   0.471   7.690  -3.177
  179    H    PHE  29           H        PHE  29   0.984   0.873  -2.429
  180    HA   PHE  29           HA       PHE  29  -1.287   0.301  -2.604
  181   1HB   PHE  29          1HB       PHE  29  -0.879  -0.255   0.348
  182   2HB   PHE  29          2HB       PHE  29  -2.070  -1.007  -0.710
  183    HD1  PHE  29           1HD      PHE  29  -1.143  -2.121  -2.885
  184    HD2  PHE  29           2HD      PHE  29   1.218  -1.297   0.605
  185    HE1  PHE  29           1HE      PHE  29   0.551  -3.750  -3.654
  186    HE2  PHE  29           2HE      PHE  29   2.914  -2.932  -0.160
  187    HZ   PHE  29           HZ       PHE  29   2.583  -4.167  -2.286
  188    H    LEU  30           H        LEU  30  -0.973   2.990  -2.430
  189    HA   LEU  30           HA       LEU  30  -2.110   4.649  -0.579
  190   1HB   LEU  30          1HB       LEU  30  -1.318   5.388  -2.711
  191   2HB   LEU  30          2HB       LEU  30  -2.446   4.336  -3.574
  192    HG   LEU  30           HG       LEU  30  -4.316   5.758  -2.514
  193   1HD1  LEU  30          1HD2      LEU  30  -1.856   7.301  -1.714
  194   2HD1  LEU  30          2HD2      LEU  30  -3.270   6.895  -0.742
  195   3HD1  LEU  30          3HD2      LEU  30  -3.384   8.136  -1.987
  196   1HD2  LEU  30          1HD1      LEU  30  -4.226   7.348  -4.268
  197   2HD2  LEU  30          2HD1      LEU  30  -3.326   5.963  -4.886
  198   3HD2  LEU  30          3HD1      LEU  30  -2.463   7.371  -4.266
  199    H    ASN  31           H        ASN  31  -3.733   3.563   0.728
  200    HA   ASN  31           HA       ASN  31  -5.973   2.116  -0.164
  201   1HB   ASN  31          1HB       ASN  31  -4.979   2.652   2.193
  202   2HB   ASN  31          2HB       ASN  31  -6.086   4.023   2.161
  203   1HD2  ASN  31          1HD2      ASN  31  -6.846   2.426   4.109
  204   2HD2  ASN  31          2HD2      ASN  31  -8.099   1.365   3.676
  205    H    HIS  32           H        HIS  32  -7.495   2.786  -1.604
  206    HA   HIS  32           HA       HIS  32  -8.299   5.665  -1.638
  207   1HB   HIS  32          1HB       HIS  32  -7.452   4.650  -3.723
  208   2HB   HIS  32          2HB       HIS  32  -8.678   3.389  -3.613
  209    HD1  HIS  32           1HD      HIS  32 -10.682   3.866  -5.002
  210    HD2  HIS  32           2HD      HIS  32  -8.883   7.384  -3.675
  211    HE1  HIS  32           1HE      HIS  32 -12.039   5.773  -5.970
  212    H    ILE  33           H        ILE  33  -9.215   3.353   0.216
  213    HA   ILE  33           HA       ILE  33 -12.158   3.561  -0.358
  214    HB   ILE  33           HB       ILE  33 -11.273   1.457   1.515
  215   1HG1  ILE  33          2HG1      ILE  33 -10.508   1.116  -1.402
  216   2HG1  ILE  33          1HG1      ILE  33  -9.346   1.446  -0.119
  217   1HG2  ILE  33          1HG2      ILE  33 -13.525   1.902   0.244
  218   2HG2  ILE  33          2HG2      ILE  33 -12.979   0.246   0.507
  219   3HG2  ILE  33          3HG2      ILE  33 -12.740   1.016  -1.062
  220   1HD1  ILE  33          1HD1      ILE  33  -9.308  -0.897  -0.255
  221   2HD1  ILE  33          2HD1      ILE  33 -11.047  -1.002  -0.532
  222   3HD1  ILE  33          3HD1      ILE  33 -10.432  -0.601   1.071
  223    H    ASP  34           H        ASP  34  -9.984   2.859   2.371
  224    HA   ASP  34           HA       ASP  34 -11.777   4.308   4.227
  225   1HB   ASP  34          2HB       ASP  34 -10.843   2.140   4.836
  226   2HB   ASP  34          1HB       ASP  34  -9.208   2.721   4.531
  227    H    GLN  35           H        GLN  35  -9.801   5.553   2.078
  228    HA   GLN  35           HA       GLN  35  -8.439   7.481   1.964
  229   1HB   GLN  35          2HB       GLN  35 -10.642   7.892   3.587
  230   2HB   GLN  35          1HB       GLN  35  -9.308   8.440   4.603
  231   1HG   GLN  35          2HG       GLN  35  -8.649   9.511   2.150
  232   2HG   GLN  35          1HG       GLN  35 -10.408   9.632   2.147
  233   1HE2  GLN  35          1HE2      GLN  35  -7.842  11.502   2.843
  234   2HE2  GLN  35          2HE2      GLN  35  -8.437  12.384   4.165
  235    H    THR  36           H        THR  36  -6.588   5.883   2.420
  236    HA   THR  36           HA       THR  36  -4.910   6.947   4.561
  237    HB   THR  36           HB       THR  36  -4.769   4.381   5.391
  238    HG1  THR  36           1HG      THR  36  -7.094   3.776   5.491
  239   1HG2  THR  36          1HG2      THR  36  -5.726   5.164   7.319
  240   2HG2  THR  36          2HG2      THR  36  -7.103   5.870   6.473
  241   3HG2  THR  36          3HG2      THR  36  -5.550   6.710   6.489
  242    H    THR  37           H        THR  37  -2.883   5.256   4.702
  243    HA   THR  37           HA       THR  37  -2.321   4.007   2.076
  244    HB   THR  37           HB       THR  37  -0.281   5.456   1.821
  245    HG1  THR  37           1HG      THR  37   0.173   6.390   3.663
  246   1HG2  THR  37          1HG2      THR  37  -2.743   7.185   2.030
  247   2HG2  THR  37          2HG2      THR  37  -2.609   5.926   0.803
  248   3HG2  THR  37          3HG2      THR  37  -1.450   7.255   0.833
  249    H    THR  38           H        THR  38  -1.095   2.203   2.448
  250    HA   THR  38           HA       THR  38   0.029   1.743   5.139
  251    HB   THR  38           HB       THR  38   0.339  -0.529   4.259
  252    HG1  THR  38           1HG      THR  38  -0.119  -0.922   2.073
  253   1HG2  THR  38          1HG2      THR  38  -1.878  -0.308   4.940
  254   2HG2  THR  38          2HG2      THR  38  -2.073  -0.819   3.264
  255   3HG2  THR  38          3HG2      THR  38  -2.252   0.882   3.693
  256    H    TRP  39           H        TRP  39   2.183   0.002   4.027
  257    HA   TRP  39           HA       TRP  39   3.980   1.861   2.611
  258   1HB   TRP  39          1HB       TRP  39   4.099   1.193   5.526
  259   2HB   TRP  39          2HB       TRP  39   5.621   1.390   4.657
  260    HD1  TRP  39           HD       TRP  39   3.754   3.389   6.778
  261    HE1  TRP  39           1HE      TRP  39   3.728   5.884   6.130
  262    HE3  TRP  39           3HE      TRP  39   5.309   3.060   1.922
  263    HZ2  TRP  39           2HZ      TRP  39   4.290   7.522   3.854
  264    HZ3  TRP  39           3HZ      TRP  39   5.550   5.096   0.540
  265    HH2  TRP  39           HH       TRP  39   5.047   7.327   1.499
  266    H    GLN  40           H        GLN  40   4.850  -0.773   4.817
  267    HA   GLN  40           HA       GLN  40   5.531  -2.458   2.432
  268   1HB   GLN  40          1HB       GLN  40   7.131  -1.594   4.830
  269   2HB   GLN  40          2HB       GLN  40   7.507  -3.126   4.040
  270   1HG   GLN  40          2HG       GLN  40   7.813  -1.976   1.898
  271   2HG   GLN  40          1HG       GLN  40   7.361  -0.440   2.636
  272   1HE2  GLN  40          1HE2      GLN  40   8.779  -0.439   5.022
  273   2HE2  GLN  40          2HE2      GLN  40  10.446  -0.537   4.722
  274    H    ASP  41           H        ASP  41   3.249  -2.449   4.496
  275    HA   ASP  41           HA       ASP  41   3.731  -4.819   6.134
  276   1HB   ASP  41          1HB       ASP  41   1.764  -2.713   5.810
  277   2HB   ASP  41          2HB       ASP  41   0.975  -4.281   5.965
  278    HA   PRO  42           HA       PRO  42   0.922  -7.027   3.051
  279   1HB   PRO  42          1HB       PRO  42  -0.217  -5.674   0.970
  280   2HB   PRO  42          2HB       PRO  42  -0.967  -5.780   2.573
  281   1HG   PRO  42          2HG       PRO  42   0.518  -3.542   1.312
  282   2HG   PRO  42          1HG       PRO  42  -0.854  -3.503   2.427
  283   1HD   PRO  42          2HD       PRO  42   1.784  -3.036   3.123
  284   2HD   PRO  42          1HD       PRO  42   0.489  -3.494   4.247
  285    H    ARG  43           H        ARG  43   3.589  -6.869   2.745
  286    HA   ARG  43           HA       ARG  43   4.555  -6.032   0.165
  287   1HB   ARG  43          1HB       ARG  43   5.462  -7.449   2.569
  288   2HB   ARG  43          2HB       ARG  43   6.236  -8.032   1.095
  289   1HG   ARG  43          1HG       ARG  43   6.955  -5.787   0.520
  290   2HG   ARG  43          2HG       ARG  43   6.045  -5.107   1.870
  291   1HD   ARG  43          2HD       ARG  43   7.488  -6.231   3.479
  292   2HD   ARG  43          1HD       ARG  43   8.328  -7.091   2.176
  293    HE   ARG  43           HE       ARG  43   8.712  -4.286   2.901
  294   1HH1  ARG  43          1HH2      ARG  43   8.834  -6.640   0.339
  295   2HH1  ARG  43          2HH2      ARG  43   9.978  -5.732  -0.588
  296   1HH2  ARG  43          1HH1      ARG  43  10.195  -3.126   1.679
  297   2HH2  ARG  43          2HH1      ARG  43  10.744  -3.758   0.162
  298    H    LYS  44           H        LYS  44   4.747  -9.413   1.218
  299    HA   LYS  44           HA       LYS  44   3.198 -10.298  -1.161
  300   1HB   LYS  44          1HB       LYS  44   6.018 -10.040  -1.065
  301   2HB   LYS  44          2HB       LYS  44   5.678 -11.767  -0.969
  302   1HG   LYS  44          2HG       LYS  44   4.055 -11.372  -2.933
  303   2HG   LYS  44          1HG       LYS  44   4.860  -9.816  -3.125
  304   1HD   LYS  44          2HD       LYS  44   6.285 -12.492  -3.096
  305   2HD   LYS  44          1HD       LYS  44   5.856 -11.608  -4.559
  306   1HE   LYS  44          2HE       LYS  44   7.374 -10.111  -2.460
  307   2HE   LYS  44          1HE       LYS  44   8.263 -11.307  -3.421
  308   1HZ   LYS  44          1HZ       LYS  44   6.710  -8.966  -4.361
  309   2HZ   LYS  44          2HZ       LYS  44   7.045 -10.272  -5.395
  310   3HZ   LYS  44          3HZ       LYS  44   8.317  -9.374  -4.716
  311   1HN   NH2  45          1HN       NH2  45   1.843 -11.927  -0.357
  312   2HN   NH2  45          2HN       NH2  45   2.242 -13.011   0.887
  313    H    GLY  45           H        GLY  45   6.527   5.756  12.293
  314   1HA   GLY  45          2HA       GLY  45   7.227   8.538  12.790
  315   2HA   GLY  45          1HA       GLY  45   8.366   7.206  12.589
  316    H    THR  46           H        THR  46   5.876   8.649  10.456
  317    HA   THR  46           HA       THR  46   7.843   9.706   8.596
  318    HB   THR  46           HB       THR  46   8.140   7.307   8.205
  319    HG1  THR  46           1HG      THR  46   7.284   7.295   5.970
  320   1HG2  THR  46          1HG2      THR  46   5.728   6.468   7.070
  321   2HG2  THR  46          2HG2      THR  46   5.249   7.333   8.531
  322   3HG2  THR  46          3HG2      THR  46   6.373   5.977   8.636
  323    HA   PRO  47           HA       PRO  47   4.152  11.874   7.511
  324   1HB   PRO  47          1HB       PRO  47   4.963  12.989   5.146
  325   2HB   PRO  47          2HB       PRO  47   5.511  13.572   6.729
  326   1HG   PRO  47          1HG       PRO  47   6.897  11.808   4.766
  327   2HG   PRO  47          2HG       PRO  47   7.556  13.100   5.782
  328   1HD   PRO  47          1HD       PRO  47   7.807  10.440   6.357
  329   2HD   PRO  47          2HD       PRO  47   7.804  11.717   7.592
  330    HA   PRO  48           HA       PRO  48   2.096   9.081   4.763
  331   1HB   PRO  48          1HB       PRO  48  -0.154  10.549   4.238
  332   2HB   PRO  48          2HB       PRO  48   0.117   9.714   5.780
  333   1HG   PRO  48          1HG       PRO  48   0.471  12.593   5.087
  334   2HG   PRO  48          2HG       PRO  48  -0.167  11.859   6.566
  335   1HD   PRO  48          1HD       PRO  48   2.369  12.850   6.336
  336   2HD   PRO  48          2HD       PRO  48   1.921  11.546   7.457
  337    HA   PRO  49           HA       PRO  49   3.210  10.564   0.749
  338   1HB   PRO  49          2HB       PRO  49   1.846   8.772  -0.802
  339   2HB   PRO  49          1HB       PRO  49   3.319   8.349   0.092
  340   1HG   PRO  49          2HG       PRO  49   0.476   7.800   0.766
  341   2HG   PRO  49          1HG       PRO  49   1.906   6.781   0.988
  342   1HD   PRO  49          2HD       PRO  49   0.724   8.214   2.999
  343   2HD   PRO  49          1HD       PRO  49   2.443   7.765   2.986
  344    HA   PRO  50           HA       PRO  50  -0.166  13.149  -0.454
  345   1HB   PRO  50          2HB       PRO  50   0.640  13.853  -2.972
  346   2HB   PRO  50          1HB       PRO  50   1.391  14.504  -1.501
  347   1HG   PRO  50          2HG       PRO  50   2.342  12.346  -3.315
  348   2HG   PRO  50          1HG       PRO  50   3.261  13.606  -2.479
  349   1HD   PRO  50          1HD       PRO  50   3.121  11.013  -1.628
  350   2HD   PRO  50          2HD       PRO  50   3.421  12.392  -0.551
  351    H    TYR  51           H        TYR  51  -2.168  12.761  -1.396
  352    HA   TYR  51           HA       TYR  51  -2.883  10.275  -2.507
  353   1HB   TYR  51          2HB       TYR  51  -4.080  12.690  -1.788
  354   2HB   TYR  51          1HB       TYR  51  -4.455  12.528  -3.504
  355    HD1  TYR  51           1HD      TYR  51  -5.741  11.856  -0.392
  356    HD2  TYR  51           2HD      TYR  51  -4.926   9.849  -4.103
  357    HE1  TYR  51           1HE      TYR  51  -7.468  10.159   0.146
  358    HE2  TYR  51           2HE      TYR  51  -6.655   8.154  -3.565
  359    HH   TYR  51           HH       TYR  51  -8.095   7.929  -0.432
  360    H    THR  52           H        THR  52  -2.409   9.386  -4.475
  361    HA   THR  52           HA       THR  52  -1.730   9.223  -6.734
  362    HB   THR  52           HB       THR  52  -3.011  11.924  -7.086
  363    HG1  THR  52           1HG      THR  52  -4.434   9.511  -6.693
  364   1HG2  THR  52          1HG2      THR  52  -4.106  10.357  -8.942
  365   2HG2  THR  52          2HG2      THR  52  -2.656   9.400  -8.643
  366   3HG2  THR  52          3HG2      THR  52  -2.513  11.075  -9.174
  367    H    VAL  53           H        VAL  53  -0.586  10.653  -8.542
  368    HA   VAL  53           HA       VAL  53   1.831  11.752  -7.342
  369    HB   VAL  53           HB       VAL  53   2.442  12.043  -9.736
  370   1HG1  VAL  53          1HG1      VAL  53   2.177   9.724  -8.400
  371   2HG1  VAL  53          2HG1      VAL  53   2.712   9.785 -10.080
  372   3HG1  VAL  53          3HG1      VAL  53   1.027   9.421  -9.703
  373   1HG2  VAL  53          1HG2      VAL  53  -0.461  11.984  -9.989
  374   2HG2  VAL  53          2HG2      VAL  53   0.311  10.830 -11.078
  375   3HG2  VAL  53          3HG2      VAL  53   0.750  12.536 -11.148
  376    H    GLY  54           H        GLY  54   2.594  13.962  -7.684
  377   1HA   GLY  54          1HA       GLY  54   2.296  16.283  -8.206
  378   2HA   GLY  54          2HA       GLY  54   0.601  15.959  -8.567
  Start of MODEL    7
    1    H    PHE   5           H        PHE   5   5.915 -18.649   3.141
    2    HA   PHE   5           HA       PHE   5   6.528 -17.867   0.996
    3   1HB   PHE   5          2HB       PHE   5   4.287 -19.713   0.813
    4   2HB   PHE   5          1HB       PHE   5   4.263 -18.559  -0.519
    5    HD1  PHE   5           1HD      PHE   5   6.885 -18.006  -1.302
    6    HD2  PHE   5           2HD      PHE   5   5.370 -21.700   0.280
    7    HE1  PHE   5           1HE      PHE   5   8.733 -19.236  -2.406
    8    HE2  PHE   5           2HE      PHE   5   7.220 -22.931  -0.823
    9    HZ   PHE   5           HZ       PHE   5   8.902 -21.698  -2.166
   10    H    GLU   6           H        GLU   6   5.686 -16.384  -0.853
   11    HA   GLU   6           HA       GLU   6   4.828 -14.258  -1.430
   12   1HB   GLU   6          2HB       GLU   6   2.766 -16.020  -0.510
   13   2HB   GLU   6          1HB       GLU   6   2.373 -14.388   0.033
   14   1HG   GLU   6          2HG       GLU   6   1.895 -13.705  -2.066
   15   2HG   GLU   6          1HG       GLU   6   3.369 -14.424  -2.713
   16    H    ILE   7           H        ILE   7   3.700 -12.228  -0.296
   17    HA   ILE   7           HA       ILE   7   5.400 -11.448   1.915
   18    HB   ILE   7           HB       ILE   7   4.538  -9.944   0.139
   19   1HG1  ILE   7          1HG1      ILE   7   3.565  -9.265   2.936
   20   2HG1  ILE   7          2HG1      ILE   7   5.182  -8.963   2.302
   21   1HG2  ILE   7          1HG2      ILE   7   2.186 -11.254   0.450
   22   2HG2  ILE   7          2HG2      ILE   7   2.308  -9.656  -0.287
   23   3HG2  ILE   7          3HG2      ILE   7   1.859  -9.811   1.412
   24   1HD1  ILE   7          1HD1      ILE   7   2.680  -7.471   1.846
   25   2HD1  ILE   7          2HD1      ILE   7   3.604  -7.793   0.390
   26   3HD1  ILE   7          3HD1      ILE   7   4.350  -6.921   1.721
   27    HA   PRO   8           HA       PRO   8   2.654 -12.838   5.101
   28   1HB   PRO   8          2HB       PRO   8   3.938 -11.707   7.232
   29   2HB   PRO   8          1HB       PRO   8   4.558 -13.127   6.375
   30   1HG   PRO   8          2HG       PRO   8   5.486 -10.332   6.309
   31   2HG   PRO   8          1HG       PRO   8   6.373 -11.825   5.983
   32   1HD   PRO   8          1HD       PRO   8   5.323 -10.006   4.079
   33   2HD   PRO   8          2HD       PRO   8   6.064 -11.587   3.762
   34    H    ASP   9           H        ASP   9   3.570  -9.875   6.764
   35    HA   ASP   9           HA       ASP   9   2.206  -8.112   7.549
   36   1HB   ASP   9          1HB       ASP   9   2.829  -7.504   5.232
   37   2HB   ASP   9          2HB       ASP   9   1.383  -8.318   4.636
   38    H    ASP  10           H        ASP  10   0.972 -10.913   7.584
   39    HA   ASP  10           HA       ASP  10  -1.079 -11.804   8.321
   40   1HB   ASP  10          1HB       ASP  10  -1.092  -9.335   9.294
   41   2HB   ASP  10          2HB       ASP  10  -2.359  -9.107   8.090
   42    H    VAL  11           H        VAL  11  -1.734  -9.211   5.987
   43    HA   VAL  11           HA       VAL  11  -3.174 -11.210   4.285
   44    HB   VAL  11           HB       VAL  11  -3.907  -8.357   5.020
   45   1HG1  VAL  11          1HG2      VAL  11  -4.384  -9.050   2.607
   46   2HG1  VAL  11          2HG2      VAL  11  -5.783  -8.542   3.550
   47   3HG1  VAL  11          3HG2      VAL  11  -5.484 -10.257   3.272
   48   1HG2  VAL  11          1HG1      VAL  11  -4.853 -11.082   5.814
   49   2HG2  VAL  11          2HG1      VAL  11  -6.048  -9.791   5.692
   50   3HG2  VAL  11          3HG1      VAL  11  -4.681  -9.625   6.794
   51    HA   PRO  12           HA       PRO  12  -0.503  -9.679   1.106
   52   1HB   PRO  12          2HB       PRO  12  -2.014 -10.347  -1.090
   53   2HB   PRO  12          1HB       PRO  12  -1.095 -11.533  -0.146
   54   1HG   PRO  12          1HG       PRO  12  -4.001 -10.849  -0.032
   55   2HG   PRO  12          2HG       PRO  12  -3.218 -12.436   0.011
   56   1HD   PRO  12          2HD       PRO  12  -4.132 -11.208   2.238
   57   2HD   PRO  12          1HD       PRO  12  -2.706 -12.264   2.253
   58    H    LEU  13           H        LEU  13  -1.448  -8.555  -1.360
   59    HA   LEU  13           HA       LEU  13  -1.748  -5.849  -0.877
   60   1HB   LEU  13          2HB       LEU  13  -1.721  -7.507  -3.034
   61   2HB   LEU  13          1HB       LEU  13  -3.391  -6.939  -3.087
   62    HG   LEU  13           HG       LEU  13  -1.168  -4.963  -2.671
   63   1HD1  LEU  13          1HD1      LEU  13  -0.894  -6.607  -4.750
   64   2HD1  LEU  13          2HD1      LEU  13  -0.580  -4.880  -4.910
   65   3HD1  LEU  13          3HD1      LEU  13  -2.120  -5.549  -5.446
   66   1HD2  LEU  13          1HD2      LEU  13  -3.967  -4.861  -2.925
   67   2HD2  LEU  13          2HD2      LEU  13  -3.341  -4.252  -4.455
   68   3HD2  LEU  13          3HD2      LEU  13  -2.856  -3.492  -2.941
   69    HA   PRO  14           HA       PRO  14  -5.740  -5.566   1.048
   70   1HB   PRO  14          2HB       PRO  14  -6.084  -2.869   0.851
   71   2HB   PRO  14          1HB       PRO  14  -5.011  -3.622   2.035
   72   1HG   PRO  14          1HG       PRO  14  -4.346  -2.360  -0.588
   73   2HG   PRO  14          2HG       PRO  14  -3.506  -2.235   0.965
   74   1HD   PRO  14          2HD       PRO  14  -2.652  -3.847  -1.040
   75   2HD   PRO  14          1HD       PRO  14  -2.414  -4.241   0.676
   76    H    ALA  15           H        ALA  15  -7.921  -5.364   0.377
   77    HA   ALA  15           HA       ALA  15  -8.355  -5.432  -2.531
   78   1HB   ALA  15          1HB       ALA  15 -10.356  -5.583  -0.275
   79   2HB   ALA  15          2HB       ALA  15  -9.331  -6.945  -0.726
   80   3HB   ALA  15          3HB       ALA  15 -10.488  -6.289  -1.885
   81    H    GLY  16           H        GLY  16  -9.128  -3.744  -3.728
   82   1HA   GLY  16          1HA       GLY  16 -10.381  -1.788  -4.221
   83   2HA   GLY  16          2HA       GLY  16 -10.862  -1.706  -2.524
   84    H    TRP  17           H        TRP  17  -7.592  -1.946  -3.853
   85    HA   TRP  17           HA       TRP  17  -6.995   0.747  -2.669
   86   1HB   TRP  17          1HB       TRP  17  -5.687  -1.950  -2.482
   87   2HB   TRP  17          2HB       TRP  17  -4.695  -0.502  -2.316
   88    HD1  TRP  17           HD       TRP  17  -8.063  -1.788  -0.857
   89    HE1  TRP  17           1HE      TRP  17  -8.143  -1.111   1.632
   90    HE3  TRP  17           3HE      TRP  17  -3.626   0.700  -0.478
   91    HZ2  TRP  17           2HZ      TRP  17  -6.523   0.297   3.530
   92    HZ3  TRP  17           3HZ      TRP  17  -2.909   1.684   1.674
   93    HH2  TRP  17           HH       TRP  17  -4.354   1.491   3.682
   94    H    GLU  18           H        GLU  18  -6.215   2.135  -4.203
   95    HA   GLU  18           HA       GLU  18  -5.122   1.024  -6.745
   96   1HB   GLU  18          2HB       GLU  18  -7.006   2.784  -6.531
   97   2HB   GLU  18          1HB       GLU  18  -5.728   3.907  -6.059
   98   1HG   GLU  18          1HG       GLU  18  -5.671   4.255  -8.337
   99   2HG   GLU  18          2HG       GLU  18  -4.568   2.882  -8.248
  100    H    MET  19           H        MET  19  -3.153   0.456  -5.257
  101    HA   MET  19           HA       MET  19  -1.456   2.308  -4.048
  102   1HB   MET  19          1HB       MET  19   0.109   0.590  -4.141
  103   2HB   MET  19          2HB       MET  19  -1.403  -0.277  -4.348
  104   1HG   MET  19          2HG       MET  19   0.463   0.560  -6.584
  105   2HG   MET  19          1HG       MET  19   0.296  -1.069  -5.945
  106   1HE   MET  19          1HE       MET  19  -3.246  -1.952  -6.358
  107   2HE   MET  19          2HE       MET  19  -1.698  -2.116  -5.535
  108   3HE   MET  19          3HE       MET  19  -1.914  -2.818  -7.136
  109    H    ALA  20           H        ALA  20  -0.377   4.060  -4.779
  110    HA   ALA  20           HA       ALA  20  -0.093   4.434  -7.730
  111   1HB   ALA  20          1HB       ALA  20   0.214   6.864  -6.832
  112   2HB   ALA  20          2HB       ALA  20  -0.383   6.202  -5.311
  113   3HB   ALA  20          3HB       ALA  20  -1.392   6.138  -6.756
  114    H    LYS  21           H        LYS  21   1.791   3.727  -4.969
  115    HA   LYS  21           HA       LYS  21   4.132   3.678  -4.641
  116   1HB   LYS  21          1HB       LYS  21   3.672   2.841  -7.139
  117   2HB   LYS  21          2HB       LYS  21   4.528   4.332  -7.533
  118   1HG   LYS  21          1HG       LYS  21   6.270   3.516  -5.772
  119   2HG   LYS  21          2HG       LYS  21   5.520   1.937  -6.002
  120   1HD   LYS  21          1HD       LYS  21   6.507   3.631  -8.307
  121   2HD   LYS  21          2HD       LYS  21   7.521   2.434  -7.504
  122   1HE   LYS  21          2HE       LYS  21   6.546   0.771  -8.697
  123   2HE   LYS  21          1HE       LYS  21   4.941   1.273  -8.131
  124   1HZ   LYS  21          1HZ       LYS  21   4.967   1.620 -10.465
  125   2HZ   LYS  21          2HZ       LYS  21   6.493   2.363 -10.419
  126   3HZ   LYS  21          3HZ       LYS  21   5.139   3.156  -9.767
  127    H    THR  22           H        THR  22   6.002   5.156  -4.557
  128    HA   THR  22           HA       THR  22   5.133   7.990  -4.627
  129    HB   THR  22           HB       THR  22   7.322   8.246  -3.377
  130    HG1  THR  22           1HG      THR  22   8.640   6.643  -3.540
  131   1HG2  THR  22          1HG2      THR  22   6.222   7.745  -1.456
  132   2HG2  THR  22          2HG2      THR  22   5.981   6.063  -1.927
  133   3HG2  THR  22          3HG2      THR  22   4.885   7.311  -2.523
  134    H    SER  23           H        SER  23   7.359   9.402  -5.131
  135    HA   SER  23           HA       SER  23   7.654   9.501  -7.922
  136   1HB   SER  23          1HB       SER  23   9.343  11.086  -7.440
  137   2HB   SER  23          2HB       SER  23   8.332  11.113  -5.996
  138    HG   SER  23           HG       SER  23  10.182  10.740  -5.059
  139    H    ESD  24           H        ESD  24   8.400   7.842  -9.195
  140   1HG   ESD  24          1HG       ESD  24   9.146   4.745  -9.832
  141   2HG   ESD  24          2HG       ESD  24   8.326   5.414  -8.421
  142   2HD   ESD  24          2HD       ESD  24  10.949   6.494  -8.377
  143   1HD   ESD  24          1HD       ESD  24  10.367   6.645 -10.047
  144   2HA   ESD  24          2HA       ESD  24   9.425   5.804  -6.249
  145   1HA   ESD  24          1HA       ESD  24  11.201   5.790  -6.534
  146    H    GLY  25           H        GLY  25  10.672   2.853  -5.500
  147   1HA   GLY  25          1HA       GLY  25  12.292   1.946  -3.967
  148   2HA   GLY  25          2HA       GLY  25  12.736   3.589  -3.506
  149    H    GLN  26           H        GLN  26   9.763   4.239  -3.288
  150    HA   GLN  26           HA       GLN  26   9.269   2.847  -0.673
  151   1HB   GLN  26          2HB       GLN  26   9.907   5.509  -1.158
  152   2HB   GLN  26          1HB       GLN  26   8.150   5.539  -0.999
  153   1HG   GLN  26          2HG       GLN  26   9.176   5.837   1.203
  154   2HG   GLN  26          1HG       GLN  26   8.354   4.277   1.140
  155   1HE2  GLN  26          1HE2      GLN  26   9.671   2.344   1.175
  156   2HE2  GLN  26          2HE2      GLN  26  11.340   2.393   1.480
  157    H    ARG  27           H        ARG  27   8.156   1.784  -3.004
  158    HA   ARG  27           HA       ARG  27   5.690   2.764  -3.925
  159   1HB   ARG  27          1HB       ARG  27   6.837   0.814  -4.839
  160   2HB   ARG  27          2HB       ARG  27   6.624  -0.061  -3.325
  161   1HG   ARG  27          2HG       ARG  27   4.454  -0.576  -3.784
  162   2HG   ARG  27          1HG       ARG  27   4.129   1.004  -4.495
  163   1HD   ARG  27          1HD       ARG  27   4.258   0.041  -6.545
  164   2HD   ARG  27          2HD       ARG  27   5.967  -0.315  -6.227
  165    HE   ARG  27           HE       ARG  27   4.624  -2.266  -4.796
  166   1HH1  ARG  27          1HH2      ARG  27   4.536  -1.167  -8.098
  167   2HH1  ARG  27          2HH2      ARG  27   4.098  -2.720  -8.720
  168   1HH2  ARG  27          1HH1      ARG  27   4.054  -4.274  -5.627
  169   2HH2  ARG  27          2HH1      ARG  27   3.827  -4.467  -7.333
  170    H    TYR  28           H        TYR  28   3.548   2.646  -3.122
  171    HA   TYR  28           HA       TYR  28   3.112   1.339  -0.489
  172   1HB   TYR  28          1HB       TYR  28   2.307   3.387   0.504
  173   2HB   TYR  28          2HB       TYR  28   3.860   3.766  -0.235
  174    HD1  TYR  28           1HD      TYR  28   0.234   4.345  -0.345
  175    HD2  TYR  28           2HD      TYR  28   3.953   5.020  -2.390
  176    HE1  TYR  28           1HE      TYR  28  -0.828   6.119  -1.707
  177    HE2  TYR  28           2HE      TYR  28   2.885   6.790  -3.749
  178    HH   TYR  28           HH       TYR  28   0.815   7.589  -4.423
  179    H    PHE  29           H        PHE  29   0.777   1.243   0.040
  180    HA   PHE  29           HA       PHE  29  -0.813   0.921  -2.445
  181   1HB   PHE  29          1HB       PHE  29  -1.097  -0.086   0.400
  182   2HB   PHE  29          2HB       PHE  29  -2.212  -0.491  -0.912
  183    HD1  PHE  29           1HD      PHE  29   1.310  -0.678   0.211
  184    HD2  PHE  29           2HD      PHE  29  -1.587  -2.047  -2.647
  185    HE1  PHE  29           1HE      PHE  29   2.950  -2.323  -0.647
  186    HE2  PHE  29           2HE      PHE  29   0.054  -3.699  -3.503
  187    HZ   PHE  29           HZ       PHE  29   2.316  -3.838  -2.509
  188    H    LEU  30           H        LEU  30  -2.780   1.977  -2.701
  189    HA   LEU  30           HA       LEU  30  -3.402   4.119  -0.699
  190   1HB   LEU  30          1HB       LEU  30  -2.099   4.938  -2.585
  191   2HB   LEU  30          2HB       LEU  30  -3.180   4.149  -3.728
  192    HG   LEU  30           HG       LEU  30  -4.901   5.724  -2.219
  193   1HD1  LEU  30          1HD2      LEU  30  -2.967   6.796  -1.119
  194   2HD1  LEU  30          2HD2      LEU  30  -3.827   7.948  -2.141
  195   3HD1  LEU  30          3HD2      LEU  30  -2.314   7.234  -2.698
  196   1HD2  LEU  30          1HD1      LEU  30  -5.387   6.026  -4.410
  197   2HD2  LEU  30          2HD1      LEU  30  -3.721   5.712  -4.897
  198   3HD2  LEU  30          3HD1      LEU  30  -4.196   7.327  -4.372
  199    H    ASN  31           H        ASN  31  -5.715   4.771  -0.729
  200    HA   ASN  31           HA       ASN  31  -7.624   3.320  -2.395
  201   1HB   ASN  31          2HB       ASN  31  -8.482   1.916  -0.547
  202   2HB   ASN  31          1HB       ASN  31  -6.786   1.582  -0.873
  203   1HD2  ASN  31          1HD2      ASN  31  -8.624   1.618   1.713
  204   2HD2  ASN  31          2HD2      ASN  31  -7.637   2.414   2.840
  205    H    HIS  32           H        HIS  32  -9.896   3.688  -1.616
  206    HA   HIS  32           HA       HIS  32 -10.138   6.311  -0.185
  207   1HB   HIS  32          1HB       HIS  32 -10.831   6.334  -2.537
  208   2HB   HIS  32          2HB       HIS  32 -11.854   4.923  -2.275
  209    HD1  HIS  32           1HD      HIS  32 -11.548   8.552  -1.187
  210    HD2  HIS  32           2HD      HIS  32 -14.403   5.516  -1.312
  211    HE1  HIS  32           1HE      HIS  32 -13.749   9.610  -0.516
  212    H    ILE  33           H        ILE  33 -11.325   3.002  -0.487
  213    HA   ILE  33           HA       ILE  33 -13.567   2.978   1.184
  214    HB   ILE  33           HB       ILE  33 -12.630   0.614   1.803
  215   1HG1  ILE  33          1HG1      ILE  33 -10.876   0.591  -0.494
  216   2HG1  ILE  33          2HG1      ILE  33 -10.283   1.735   0.705
  217   1HG2  ILE  33          1HG2      ILE  33 -13.315  -0.232  -0.337
  218   2HG2  ILE  33          2HG2      ILE  33 -12.911   1.291  -1.131
  219   3HG2  ILE  33          3HG2      ILE  33 -14.278   1.211  -0.019
  220   1HD1  ILE  33          1HD1      ILE  33  -9.890  -1.000   0.780
  221   2HD1  ILE  33          2HD1      ILE  33 -11.249  -0.774   1.881
  222   3HD1  ILE  33          3HD1      ILE  33  -9.734   0.084   2.161
  223    H    ASP  34           H        ASP  34 -10.145   2.964   2.148
  224    HA   ASP  34           HA       ASP  34 -11.024   3.430   4.976
  225   1HB   ASP  34          1HB       ASP  34  -9.335   1.478   3.779
  226   2HB   ASP  34          2HB       ASP  34  -8.297   2.547   4.722
  227    H    GLN  35           H        GLN  35  -9.387   4.741   2.251
  228    HA   GLN  35           HA       GLN  35  -8.139   6.718   1.961
  229   1HB   GLN  35          2HB       GLN  35  -9.922   7.065   4.320
  230   2HB   GLN  35          1HB       GLN  35  -8.662   8.279   4.103
  231   1HG   GLN  35          2HG       GLN  35  -9.547   8.143   1.567
  232   2HG   GLN  35          1HG       GLN  35 -11.030   7.675   2.398
  233   1HE2  GLN  35          1HE2      GLN  35 -10.931   9.241   4.716
  234   2HE2  GLN  35          2HE2      GLN  35 -10.946  10.887   4.302
  235    H    THR  36           H        THR  36  -6.344   4.914   2.607
  236    HA   THR  36           HA       THR  36  -4.544   6.306   4.494
  237    HB   THR  36           HB       THR  36  -4.253   4.017   5.691
  238    HG1  THR  36           1HG      THR  36  -6.273   2.843   5.622
  239   1HG2  THR  36          1HG2      THR  36  -5.535   6.215   6.414
  240   2HG2  THR  36          2HG2      THR  36  -5.699   4.734   7.357
  241   3HG2  THR  36          3HG2      THR  36  -6.958   5.192   6.210
  242    H    THR  37           H        THR  37  -2.322   5.517   4.287
  243    HA   THR  37           HA       THR  37  -1.912   3.815   1.857
  244    HB   THR  37           HB       THR  37   0.027   5.230   1.377
  245    HG1  THR  37           1HG      THR  37  -0.708   6.779   3.623
  246   1HG2  THR  37          1HG2      THR  37  -2.308   7.010   2.127
  247   2HG2  THR  37          2HG2      THR  37  -2.293   5.974   0.700
  248   3HG2  THR  37          3HG2      THR  37  -1.119   7.282   0.850
  249    H    THR  38           H        THR  38  -0.720   1.999   2.212
  250    HA   THR  38           HA       THR  38   0.496   1.570   4.874
  251    HB   THR  38           HB       THR  38   0.607  -0.745   4.102
  252    HG1  THR  38           1HG      THR  38  -0.207  -1.059   1.864
  253   1HG2  THR  38          1HG2      THR  38  -1.619   0.149   4.785
  254   2HG2  THR  38          2HG2      THR  38  -1.749  -1.146   3.595
  255   3HG2  THR  38          3HG2      THR  38  -1.952   0.534   3.096
  256    H    TRP  39           H        TRP  39   2.753   0.567   4.902
  257    HA   TRP  39           HA       TRP  39   4.476   1.915   2.853
  258   1HB   TRP  39          2HB       TRP  39   4.367   2.188   5.587
  259   2HB   TRP  39          1HB       TRP  39   5.664   1.009   5.392
  260    HD1  TRP  39           HD       TRP  39   7.776   2.428   5.693
  261    HE1  TRP  39           1HE      TRP  39   8.755   4.505   4.524
  262    HE3  TRP  39           3HE      TRP  39   3.814   3.733   2.742
  263    HZ2  TRP  39           2HZ      TRP  39   7.965   6.461   2.592
  264    HZ3  TRP  39           3HZ      TRP  39   3.956   5.702   1.248
  265    HH2  TRP  39           HH       TRP  39   6.025   7.068   1.170
  266    H    GLN  40           H        GLN  40   4.422   0.082   1.393
  267    HA   GLN  40           HA       GLN  40   5.145  -2.012   0.563
  268   1HB   GLN  40          1HB       GLN  40   7.281  -1.341   2.613
  269   2HB   GLN  40          2HB       GLN  40   7.470  -2.500   1.297
  270   1HG   GLN  40          1HG       GLN  40   8.175  -0.770   0.027
  271   2HG   GLN  40          2HG       GLN  40   6.508  -0.192   0.048
  272   1HE2  GLN  40          1HE2      GLN  40   6.115   1.772   1.127
  273   2HE2  GLN  40          2HE2      GLN  40   7.254   2.576   2.095
  274    H    ASP  41           H        ASP  41   3.382  -2.000   3.050
  275    HA   ASP  41           HA       ASP  41   4.346  -4.277   4.631
  276   1HB   ASP  41          1HB       ASP  41   2.557  -2.135   4.929
  277   2HB   ASP  41          2HB       ASP  41   1.541  -3.575   4.938
  278    HA   PRO  42           HA       PRO  42   1.020  -6.561   2.205
  279   1HB   PRO  42          1HB       PRO  42  -0.706  -5.181   0.605
  280   2HB   PRO  42          2HB       PRO  42  -0.924  -5.320   2.357
  281   1HG   PRO  42          2HG       PRO  42  -0.186  -2.996   0.764
  282   2HG   PRO  42          1HG       PRO  42  -0.720  -3.077   2.445
  283   1HD   PRO  42          1HD       PRO  42   1.983  -2.839   1.389
  284   2HD   PRO  42          2HD       PRO  42   1.409  -2.650   3.057
  285    H    ARG  43           H        ARG  43   1.179  -7.701   0.185
  286    HA   ARG  43           HA       ARG  43   2.218  -8.267  -1.853
  287   1HB   ARG  43          2HB       ARG  43   0.221  -6.965  -2.479
  288   2HB   ARG  43          1HB       ARG  43   1.164  -5.478  -2.399
  289   1HG   ARG  43          2HG       ARG  43   1.019  -6.227  -4.724
  290   2HG   ARG  43          1HG       ARG  43   2.682  -6.389  -4.158
  291   1HD   ARG  43          2HD       ARG  43   2.564  -8.721  -4.079
  292   2HD   ARG  43          1HD       ARG  43   0.803  -8.723  -3.869
  293    HE   ARG  43           HE       ARG  43   0.582  -8.552  -6.221
  294   1HH1  ARG  43          1HH2      ARG  43   3.805  -7.707  -5.211
  295   2HH1  ARG  43          2HH2      ARG  43   4.400  -7.591  -6.830
  296   1HH2  ARG  43          1HH1      ARG  43   1.378  -8.395  -8.314
  297   2HH2  ARG  43          2HH1      ARG  43   3.038  -7.976  -8.576
  298    H    LYS  44           H        LYS  44   4.419  -8.315  -1.284
  299    HA   LYS  44           HA       LYS  44   6.010  -5.810  -1.511
  300   1HB   LYS  44          1HB       LYS  44   6.174  -8.414  -0.185
  301   2HB   LYS  44          2HB       LYS  44   7.693  -7.960  -0.957
  302   1HG   LYS  44          2HG       LYS  44   7.539  -5.729   0.178
  303   2HG   LYS  44          1HG       LYS  44   6.112  -6.311   1.039
  304   1HD   LYS  44          2HD       LYS  44   7.469  -8.169   1.981
  305   2HD   LYS  44          1HD       LYS  44   8.893  -7.521   1.164
  306   1HE   LYS  44          1HE       LYS  44   7.835  -5.315   2.523
  307   2HE   LYS  44          2HE       LYS  44   7.666  -6.660   3.667
  308   1HZ   LYS  44          1HZ       LYS  44   9.942  -7.230   3.383
  309   2HZ   LYS  44          2HZ       LYS  44   9.904  -5.554   3.663
  310   3HZ   LYS  44          3HZ       LYS  44  10.131  -6.151   2.089
  311   1HN   NH2  45          1HN       NH2  45   6.631  -5.339  -3.648
  312   2HN   NH2  45          2HN       NH2  45   7.181  -6.484  -4.776
  313    H    GLY  45           H        GLY  45  15.146  12.409   3.391
  314   1HA   GLY  45          2HA       GLY  45  13.811  11.619   5.151
  315   2HA   GLY  45          1HA       GLY  45  12.782  13.025   4.871
  316    H    THR  46           H        THR  46  11.972  10.240   5.455
  317    HA   THR  46           HA       THR  46  11.063   8.755   3.257
  318    HB   THR  46           HB       THR  46   9.368   9.241   5.699
  319    HG1  THR  46           1HG      THR  46  11.136   8.976   6.800
  320   1HG2  THR  46          1HG2      THR  46  10.067   6.924   3.910
  321   2HG2  THR  46          2HG2      THR  46   8.473   7.538   4.352
  322   3HG2  THR  46          3HG2      THR  46   9.434   6.646   5.533
  323    HA   PRO  47           HA       PRO  47   8.343  12.008   1.646
  324   1HB   PRO  47          1HB       PRO  47   7.965  10.849  -0.802
  325   2HB   PRO  47          2HB       PRO  47   9.397  11.816  -0.399
  326   1HG   PRO  47          1HG       PRO  47   9.066   8.855  -0.498
  327   2HG   PRO  47          2HG       PRO  47  10.436   9.854  -1.007
  328   1HD   PRO  47          1HD       PRO  47  10.363   8.463   1.343
  329   2HD   PRO  47          2HD       PRO  47  11.312   9.945   1.107
  330    HA   PRO  48           HA       PRO  48   4.856   9.350   2.802
  331   1HB   PRO  48          2HB       PRO  48   3.126  11.400   3.352
  332   2HB   PRO  48          1HB       PRO  48   4.355  10.836   4.500
  333   1HG   PRO  48          1HG       PRO  48   4.395  13.198   2.679
  334   2HG   PRO  48          2HG       PRO  48   4.970  13.052   4.347
  335   1HD   PRO  48          2HD       PRO  48   6.620  12.992   2.177
  336   2HD   PRO  48          1HD       PRO  48   6.986  12.162   3.705
  337    HA   PRO  49           HA       PRO  49   2.844   9.544  -1.133
  338   1HB   PRO  49          2HB       PRO  49   0.673   7.972  -0.600
  339   2HB   PRO  49          1HB       PRO  49   2.308   7.319  -0.828
  340   1HG   PRO  49          2HG       PRO  49   0.804   7.807   1.686
  341   2HG   PRO  49          1HG       PRO  49   1.895   6.481   1.260
  342   1HD   PRO  49          2HD       PRO  49   2.601   8.608   2.841
  343   2HD   PRO  49          1HD       PRO  49   3.757   7.657   1.882
  344    HA   PRO  50           HA       PRO  50  -0.011  12.863   0.043
  345   1HB   PRO  50          2HB       PRO  50  -0.051  14.073  -2.411
  346   2HB   PRO  50          1HB       PRO  50   1.252  14.322  -1.232
  347   1HG   PRO  50          2HG       PRO  50   1.188  12.576  -3.640
  348   2HG   PRO  50          1HG       PRO  50   2.510  13.557  -2.994
  349   1HD   PRO  50          2HD       PRO  50   2.329  10.856  -2.650
  350   2HD   PRO  50          1HD       PRO  50   3.165  11.940  -1.519
  351    H    TYR  51           H        TYR  51  -2.245  12.763  -0.096
  352    HA   TYR  51           HA       TYR  51  -3.503  11.560  -2.513
  353   1HB   TYR  51          2HB       TYR  51  -3.022   9.725  -0.942
  354   2HB   TYR  51          1HB       TYR  51  -3.852  10.599   0.346
  355    HD1  TYR  51           1HD      TYR  51  -4.715  10.089  -3.266
  356    HD2  TYR  51           2HD      TYR  51  -5.836   9.451   0.831
  357    HE1  TYR  51           1HE      TYR  51  -6.876   9.126  -4.008
  358    HE2  TYR  51           2HE      TYR  51  -7.998   8.489   0.089
  359    HH   TYR  51           HH       TYR  51  -9.100   8.734  -3.158
  360    H    THR  52           H        THR  52  -4.024  13.026   0.705
  361    HA   THR  52           HA       THR  52  -6.398  14.457  -0.448
  362    HB   THR  52           HB       THR  52  -5.926  13.307   2.322
  363    HG1  THR  52           1HG      THR  52  -6.898  11.658   1.503
  364   1HG2  THR  52          1HG2      THR  52  -8.159  14.097   2.863
  365   2HG2  THR  52          2HG2      THR  52  -8.365  14.737   1.234
  366   3HG2  THR  52          3HG2      THR  52  -7.187  15.466   2.326
  367    H    VAL  53           H        VAL  53  -6.619  16.654   0.190
  368    HA   VAL  53           HA       VAL  53  -4.232  17.814   1.592
  369    HB   VAL  53           HB       VAL  53  -6.075  18.928  -0.548
  370   1HG1  VAL  53          1HG2      VAL  53  -4.550  20.849  -0.580
  371   2HG1  VAL  53          2HG2      VAL  53  -3.593  20.131   0.715
  372   3HG1  VAL  53          3HG2      VAL  53  -5.246  20.660   1.029
  373   1HG2  VAL  53          1HG1      VAL  53  -4.026  18.821  -1.948
  374   2HG2  VAL  53          2HG1      VAL  53  -4.518  17.225  -1.385
  375   3HG2  VAL  53          3HG1      VAL  53  -3.170  18.055  -0.610
  376    H    GLY  54           H        GLY  54  -7.595  18.810   0.834
  377   1HA   GLY  54          1HA       GLY  54  -7.758  20.117   3.482
  378   2HA   GLY  54          2HA       GLY  54  -8.935  20.276   2.179
  Start of MODEL    8
    1    H    PHE   5           H        PHE   5  15.749  -8.739  -6.958
    2    HA   PHE   5           HA       PHE   5  14.886  -8.072  -4.161
    3   1HB   PHE   5          2HB       PHE   5  16.995  -7.088  -5.596
    4   2HB   PHE   5          1HB       PHE   5  15.735  -5.927  -6.019
    5    HD1  PHE   5           1HD      PHE   5  16.573  -7.838  -2.895
    6    HD2  PHE   5           2HD      PHE   5  15.886  -4.007  -4.712
    7    HE1  PHE   5           1HE      PHE   5  16.838  -6.743  -0.686
    8    HE2  PHE   5           2HE      PHE   5  16.152  -2.911  -2.502
    9    HZ   PHE   5           HZ       PHE   5  16.627  -4.278  -0.490
   10    H    GLU   6           H        GLU   6  13.251  -9.075  -6.509
   11    HA   GLU   6           HA       GLU   6  11.691  -6.773  -7.431
   12   1HB   GLU   6          2HB       GLU   6  11.596  -9.776  -7.679
   13   2HB   GLU   6          1HB       GLU   6  10.258  -8.792  -8.267
   14   1HG   GLU   6          2HG       GLU   6  11.683  -7.605  -9.788
   15   2HG   GLU   6          1HG       GLU   6  13.134  -8.298  -9.063
   16    H    ILE   7           H        ILE   7   9.913  -5.938  -6.390
   17    HA   ILE   7           HA       ILE   7   9.088  -7.076  -3.830
   18    HB   ILE   7           HB       ILE   7   9.364  -4.646  -4.313
   19   1HG1  ILE   7          2HG1      ILE   7   6.578  -5.544  -3.507
   20   2HG1  ILE   7          1HG1      ILE   7   7.968  -5.403  -2.433
   21   1HG2  ILE   7          1HG2      ILE   7   7.408  -3.563  -5.522
   22   2HG2  ILE   7          2HG2      ILE   7   6.961  -5.177  -6.079
   23   3HG2  ILE   7          3HG2      ILE   7   8.511  -4.477  -6.551
   24   1HD1  ILE   7          1HD1      ILE   7   7.854  -2.916  -3.675
   25   2HD1  ILE   7          2HD1      ILE   7   7.277  -3.284  -2.049
   26   3HD1  ILE   7          3HD1      ILE   7   6.158  -3.324  -3.413
   27    HA   PRO   8           HA       PRO   8   5.061  -7.859  -6.273
   28   1HB   PRO   8          1HB       PRO   8   5.297  -8.686  -8.866
   29   2HB   PRO   8          2HB       PRO   8   5.069  -6.989  -8.407
   30   1HG   PRO   8          2HG       PRO   8   7.525  -8.413  -9.262
   31   2HG   PRO   8          1HG       PRO   8   7.033  -6.738  -9.544
   32   1HD   PRO   8          2HD       PRO   8   8.876  -7.565  -7.659
   33   2HD   PRO   8          1HD       PRO   8   8.017  -6.014  -7.642
   34    H    ASP   9           H        ASP   9   6.653 -10.038  -8.539
   35    HA   ASP   9           HA       ASP   9   6.840 -12.394  -8.478
   36   1HB   ASP   9          2HB       ASP   9   8.306 -11.192  -6.463
   37   2HB   ASP   9          1HB       ASP   9   7.379 -12.410  -5.586
   38    H    ASP  10           H        ASP  10   4.255 -11.987  -8.539
   39    HA   ASP  10           HA       ASP  10   2.146 -12.823  -7.882
   40   1HB   ASP  10          2HB       ASP  10   4.084 -14.778  -7.540
   41   2HB   ASP  10          1HB       ASP  10   3.267 -14.759  -5.978
   42    H    VAL  11           H        VAL  11   1.629 -10.864  -6.678
   43    HA   VAL  11           HA       VAL  11   2.010 -11.092  -3.710
   44    HB   VAL  11           HB       VAL  11   1.567  -8.725  -5.559
   45   1HG1  VAL  11          1HG1      VAL  11   0.515  -8.536  -3.253
   46   2HG1  VAL  11          2HG1      VAL  11   1.732  -7.314  -3.620
   47   3HG1  VAL  11          3HG1      VAL  11   2.141  -8.682  -2.586
   48   1HG2  VAL  11          1HG2      VAL  11   3.936  -9.942  -4.183
   49   2HG2  VAL  11          2HG2      VAL  11   3.893  -8.196  -4.426
   50   3HG2  VAL  11          3HG2      VAL  11   3.811  -9.282  -5.812
   51    HA   PRO  12           HA       PRO  12  -2.389 -11.535  -3.467
   52   1HB   PRO  12          2HB       PRO  12  -2.745 -10.839  -0.845
   53   2HB   PRO  12          1HB       PRO  12  -2.066 -12.399  -1.345
   54   1HG   PRO  12          1HG       PRO  12  -0.686  -9.956  -0.346
   55   2HG   PRO  12          2HG       PRO  12  -0.333 -11.659  -0.029
   56   1HD   PRO  12          2HD       PRO  12   1.064 -10.107  -1.803
   57   2HD   PRO  12          1HD       PRO  12   0.932 -11.874  -1.922
   58    H    LEU  13           H        LEU  13  -0.954  -8.620  -1.976
   59    HA   LEU  13           HA       LEU  13  -1.624  -6.360  -2.054
   60   1HB   LEU  13          2HB       LEU  13  -1.879  -7.472  -4.566
   61   2HB   LEU  13          1HB       LEU  13  -3.484  -6.791  -4.299
   62    HG   LEU  13           HG       LEU  13  -1.587  -4.881  -3.366
   63   1HD1  LEU  13          1HD1      LEU  13  -0.847  -6.271  -5.915
   64   2HD1  LEU  13          2HD1      LEU  13   0.199  -5.601  -4.663
   65   3HD1  LEU  13          3HD1      LEU  13  -0.612  -4.526  -5.802
   66   1HD2  LEU  13          1HD2      LEU  13  -3.963  -4.863  -4.641
   67   2HD2  LEU  13          2HD2      LEU  13  -2.903  -4.551  -6.017
   68   3HD2  LEU  13          3HD2      LEU  13  -2.886  -3.466  -4.627
   69    HA   PRO  14           HA       PRO  14  -5.537  -6.312  -0.035
   70   1HB   PRO  14          2HB       PRO  14  -6.018  -3.633   0.037
   71   2HB   PRO  14          1HB       PRO  14  -4.795  -4.420   1.040
   72   1HG   PRO  14          1HG       PRO  14  -4.466  -2.753  -1.373
   73   2HG   PRO  14          2HG       PRO  14  -3.373  -2.995  -0.009
   74   1HD   PRO  14          1HD       PRO  14  -3.196  -4.181  -2.550
   75   2HD   PRO  14          2HD       PRO  14  -2.261  -4.622  -1.110
   76    H    ALA  15           H        ALA  15  -7.789  -6.170  -0.502
   77    HA   ALA  15           HA       ALA  15  -8.454  -5.965  -3.368
   78   1HB   ALA  15          1HB       ALA  15 -10.265  -7.264  -2.755
   79   2HB   ALA  15          2HB       ALA  15 -10.438  -6.461  -1.194
   80   3HB   ALA  15          3HB       ALA  15  -9.158  -7.650  -1.437
   81    H    GLY  16           H        GLY  16  -9.457  -4.225  -4.290
   82   1HA   GLY  16          1HA       GLY  16 -10.904  -2.345  -4.443
   83   2HA   GLY  16          2HA       GLY  16 -11.214  -2.482  -2.709
   84    H    TRP  17           H        TRP  17  -8.080  -2.307  -4.343
   85    HA   TRP  17           HA       TRP  17  -7.567   0.282  -2.914
   86   1HB   TRP  17          2HB       TRP  17  -6.028  -2.282  -3.226
   87   2HB   TRP  17          1HB       TRP  17  -5.158  -0.776  -2.935
   88    HD1  TRP  17           HD       TRP  17  -8.261  -2.549  -1.412
   89    HE1  TRP  17           1HE      TRP  17  -8.164  -2.243   1.146
   90    HE3  TRP  17           3HE      TRP  17  -3.987   0.186  -1.020
   91    HZ2  TRP  17           2HZ      TRP  17  -6.470  -0.999   3.103
   92    HZ3  TRP  17           3HZ      TRP  17  -3.144   0.913   1.181
   93    HH2  TRP  17           HH       TRP  17  -4.381   0.320   3.251
   94    H    GLU  18           H        GLU  18  -5.703   1.504  -3.946
   95    HA   GLU  18           HA       GLU  18  -5.411   0.987  -6.873
   96   1HB   GLU  18          2HB       GLU  18  -7.281   2.656  -6.119
   97   2HB   GLU  18          1HB       GLU  18  -5.936   3.743  -5.773
   98   1HG   GLU  18          2HG       GLU  18  -5.988   4.310  -7.959
   99   2HG   GLU  18          1HG       GLU  18  -5.337   2.705  -8.293
  100    H    MET  19           H        MET  19  -3.303   0.288  -5.551
  101    HA   MET  19           HA       MET  19  -1.492   2.004  -4.348
  102   1HB   MET  19          1HB       MET  19   0.124   0.364  -4.932
  103   2HB   MET  19          2HB       MET  19  -1.403  -0.504  -4.927
  104   1HG   MET  19          1HG       MET  19  -0.205   0.670  -7.455
  105   2HG   MET  19          2HG       MET  19   0.132  -0.969  -6.911
  106   1HE   MET  19          1HE       MET  19  -3.296  -2.423  -6.384
  107   2HE   MET  19          2HE       MET  19  -1.638  -2.226  -5.821
  108   3HE   MET  19          3HE       MET  19  -1.954  -3.103  -7.316
  109    H    ALA  20           H        ALA  20   0.169   3.429  -5.098
  110    HA   ALA  20           HA       ALA  20   0.154   4.143  -7.992
  111   1HB   ALA  20          1HB       ALA  20  -1.547   5.529  -6.921
  112   2HB   ALA  20          2HB       ALA  20  -0.154   6.538  -7.311
  113   3HB   ALA  20          3HB       ALA  20  -0.411   5.994  -5.653
  114    H    LYS  21           H        LYS  21   2.034   3.091  -5.665
  115    HA   LYS  21           HA       LYS  21   4.308   3.362  -5.074
  116   1HB   LYS  21          1HB       LYS  21   3.935   3.424  -7.804
  117   2HB   LYS  21          2HB       LYS  21   4.872   4.892  -7.528
  118   1HG   LYS  21          1HG       LYS  21   6.740   3.668  -7.253
  119   2HG   LYS  21          2HG       LYS  21   5.981   2.783  -5.930
  120   1HD   LYS  21          2HD       LYS  21   6.480   1.092  -7.494
  121   2HD   LYS  21          1HD       LYS  21   4.782   1.444  -7.810
  122   1HE   LYS  21          2HE       LYS  21   5.605   1.571  -9.981
  123   2HE   LYS  21          1HE       LYS  21   5.891   3.248  -9.478
  124   1HZ   LYS  21          1HZ       LYS  21   7.828   1.014  -9.135
  125   2HZ   LYS  21          2HZ       LYS  21   8.098   2.649  -8.762
  126   3HZ   LYS  21          3HZ       LYS  21   7.907   2.164 -10.378
  127    H    THR  22           H        THR  22   6.150   5.269  -5.258
  128    HA   THR  22           HA       THR  22   4.803   7.771  -4.284
  129    HB   THR  22           HB       THR  22   6.837   7.963  -2.839
  130    HG1  THR  22           1HG      THR  22   8.260   6.778  -4.113
  131   1HG2  THR  22          1HG2      THR  22   4.995   5.607  -2.738
  132   2HG2  THR  22          2HG2      THR  22   5.117   6.980  -1.639
  133   3HG2  THR  22          3HG2      THR  22   6.318   5.691  -1.576
  134    H    SER  23           H        SER  23   6.682   9.604  -4.331
  135    HA   SER  23           HA       SER  23   7.726   9.608  -7.141
  136   1HB   SER  23          1HB       SER  23   5.933  11.252  -6.230
  137   2HB   SER  23          2HB       SER  23   7.271  12.002  -5.359
  138    HG   SER  23           HG       SER  23   6.976  11.657  -8.153
  139    H    ESD  24           H        ESD  24   9.817   8.733  -6.752
  140   1HG   ESD  24          1HG       ESD  24  12.282   8.894  -7.506
  141   2HG   ESD  24          2HG       ESD  24  11.776   7.581  -6.443
  142   2HD   ESD  24          2HD       ESD  24  11.541   9.280  -4.582
  143   1HD   ESD  24          1HD       ESD  24  11.827  10.547  -5.792
  144   2HA   ESD  24          2HA       ESD  24  12.933   7.748  -3.713
  145   1HA   ESD  24          1HA       ESD  24  14.421   6.836  -4.155
  146    H    GLY  25           H        GLY  25  12.469   5.405  -3.131
  147   1HA   GLY  25          1HA       GLY  25  12.020   3.545  -5.337
  148   2HA   GLY  25          2HA       GLY  25  13.277   3.011  -4.221
  149    H    GLN  26           H        GLN  26  10.371   4.851  -3.364
  150    HA   GLN  26           HA       GLN  26   9.621   2.644  -1.502
  151   1HB   GLN  26          2HB       GLN  26   9.951   5.333  -1.159
  152   2HB   GLN  26          1HB       GLN  26   8.216   5.253  -1.465
  153   1HG   GLN  26          2HG       GLN  26   8.668   5.031   0.942
  154   2HG   GLN  26          1HG       GLN  26   7.997   3.530   0.305
  155   1HE2  GLN  26          1HE2      GLN  26   9.049   1.924   1.529
  156   2HE2  GLN  26          2HE2      GLN  26  10.734   1.796   1.690
  157    H    ARG  27           H        ARG  27   7.077   2.600  -1.194
  158    HA   ARG  27           HA       ARG  27   5.392   3.232  -3.454
  159   1HB   ARG  27          1HB       ARG  27   6.787   1.521  -4.507
  160   2HB   ARG  27          2HB       ARG  27   6.479   0.411  -3.173
  161   1HG   ARG  27          2HG       ARG  27   3.998   0.630  -3.745
  162   2HG   ARG  27          1HG       ARG  27   4.510   1.430  -5.230
  163   1HD   ARG  27          1HD       ARG  27   5.439  -0.516  -6.114
  164   2HD   ARG  27          2HD       ARG  27   5.759  -1.208  -4.512
  165    HE   ARG  27           HE       ARG  27   2.994  -0.955  -4.599
  166   1HH1  ARG  27          1HH2      ARG  27   5.400  -2.471  -6.607
  167   2HH1  ARG  27          2HH2      ARG  27   4.324  -3.712  -7.149
  168   1HH2  ARG  27          1HH1      ARG  27   1.616  -2.576  -5.318
  169   2HH2  ARG  27          2HH1      ARG  27   2.198  -3.773  -6.426
  170    H    TYR  28           H        TYR  28   3.183   2.565  -3.050
  171    HA   TYR  28           HA       TYR  28   2.664   1.082  -0.515
  172   1HB   TYR  28          2HB       TYR  28   1.071   2.949   0.112
  173   2HB   TYR  28          1HB       TYR  28   2.766   3.423   0.134
  174    HD1  TYR  28           1HD      TYR  28  -0.141   3.303  -2.303
  175    HD2  TYR  28           2HD      TYR  28   3.356   5.392  -0.930
  176    HE1  TYR  28           1HE      TYR  28  -0.583   5.117  -3.920
  177    HE2  TYR  28           2HE      TYR  28   2.908   7.205  -2.553
  178    HH   TYR  28           HH       TYR  28   1.423   7.134  -5.023
  179    H    PHE  29           H        PHE  29  -0.030   1.419  -0.367
  180    HA   PHE  29           HA       PHE  29  -1.000   0.480  -3.011
  181   1HB   PHE  29          1HB       PHE  29  -1.617  -0.421  -0.199
  182   2HB   PHE  29          2HB       PHE  29  -2.541  -0.967  -1.599
  183    HD1  PHE  29           1HD      PHE  29  -1.290  -2.085  -3.522
  184    HD2  PHE  29           2HD      PHE  29   0.491  -1.359   0.317
  185    HE1  PHE  29           1HE      PHE  29   0.514  -3.692  -4.057
  186    HE2  PHE  29           2HE      PHE  29   2.293  -2.973  -0.213
  187    HZ   PHE  29           HZ       PHE  29   2.305  -4.148  -2.400
  188    H    LEU  30           H        LEU  30  -1.227   2.879  -0.801
  189    HA   LEU  30           HA       LEU  30  -2.743   4.652  -0.476
  190   1HB   LEU  30          2HB       LEU  30  -2.532   3.858  -3.208
  191   2HB   LEU  30          1HB       LEU  30  -4.199   4.323  -2.912
  192    HG   LEU  30           HG       LEU  30  -1.841   6.017  -2.075
  193   1HD1  LEU  30          1HD2      LEU  30  -2.556   5.525  -4.678
  194   2HD1  LEU  30          2HD2      LEU  30  -1.800   7.017  -4.118
  195   3HD1  LEU  30          3HD2      LEU  30  -3.552   6.930  -4.298
  196   1HD2  LEU  30          1HD1      LEU  30  -4.766   6.722  -2.435
  197   2HD2  LEU  30          2HD1      LEU  30  -3.506   7.740  -1.740
  198   3HD2  LEU  30          3HD1      LEU  30  -4.046   6.297  -0.883
  199    H    ASN  31           H        ASN  31  -4.138   4.019   1.191
  200    HA   ASN  31           HA       ASN  31  -6.303   2.079   0.684
  201   1HB   ASN  31          1HB       ASN  31  -4.789   2.388   2.777
  202   2HB   ASN  31          2HB       ASN  31  -5.843   3.748   3.155
  203   1HD2  ASN  31          1HD2      ASN  31  -5.566   1.106   4.590
  204   2HD2  ASN  31          2HD2      ASN  31  -7.131   0.450   4.613
  205    H    HIS  32           H        HIS  32  -6.554   4.462  -0.890
  206    HA   HIS  32           HA       HIS  32  -8.151   6.527   0.191
  207   1HB   HIS  32          1HB       HIS  32  -8.863   6.807  -2.170
  208   2HB   HIS  32          2HB       HIS  32  -7.133   6.481  -2.064
  209    HD1  HIS  32           1HD      HIS  32 -10.334   5.066  -3.322
  210    HD2  HIS  32           2HD      HIS  32  -6.388   3.799  -2.869
  211    HE1  HIS  32           1HE      HIS  32 -10.105   2.939  -4.677
  212    H    ILE  33           H        ILE  33  -8.966   3.226  -0.658
  213    HA   ILE  33           HA       ILE  33 -11.731   3.272  -0.986
  214    HB   ILE  33           HB       ILE  33 -10.435   1.264  -1.162
  215   1HG1  ILE  33          1HG1      ILE  33 -11.892   0.486   1.278
  216   2HG1  ILE  33          2HG1      ILE  33 -12.849   1.339   0.067
  217   1HG2  ILE  33          1HG2      ILE  33  -8.925   2.061   0.871
  218   2HG2  ILE  33          2HG2      ILE  33  -9.025   0.370   0.392
  219   3HG2  ILE  33          3HG2      ILE  33  -9.984   0.961   1.748
  220   1HD1  ILE  33          1HD1      ILE  33 -12.939  -1.082  -0.339
  221   2HD1  ILE  33          2HD1      ILE  33 -11.177  -1.149  -0.410
  222   3HD1  ILE  33          3HD1      ILE  33 -12.079  -0.280  -1.653
  223    H    ASP  34           H        ASP  34 -10.041   3.030   2.141
  224    HA   ASP  34           HA       ASP  34 -12.405   4.336   3.422
  225   1HB   ASP  34          1HB       ASP  34 -12.655   1.926   3.633
  226   2HB   ASP  34          2HB       ASP  34 -11.005   1.773   4.235
  227    H    GLN  35           H        GLN  35  -8.957   3.422   3.729
  228    HA   GLN  35           HA       GLN  35  -8.706   5.545   5.839
  229   1HB   GLN  35          2HB       GLN  35  -6.944   3.141   5.271
  230   2HB   GLN  35          1HB       GLN  35  -6.826   4.219   6.658
  231   1HG   GLN  35          2HG       GLN  35  -9.361   3.545   7.000
  232   2HG   GLN  35          1HG       GLN  35  -8.895   2.137   6.047
  233   1HE2  GLN  35          1HE2      GLN  35  -9.363   1.011   8.239
  234   2HE2  GLN  35          2HE2      GLN  35  -8.087   0.927   9.355
  235    H    THR  36           H        THR  36  -5.703   5.309   5.521
  236    HA   THR  36           HA       THR  36  -5.457   6.962   3.031
  237    HB   THR  36           HB       THR  36  -3.699   8.153   4.295
  238    HG1  THR  36           1HG      THR  36  -3.176   7.528   6.322
  239   1HG2  THR  36          1HG2      THR  36  -5.731   9.224   4.644
  240   2HG2  THR  36          2HG2      THR  36  -5.270   8.837   6.302
  241   3HG2  THR  36          3HG2      THR  36  -6.445   7.830   5.454
  242    H    THR  37           H        THR  37  -2.975   7.021   2.397
  243    HA   THR  37           HA       THR  37  -2.172   4.567   1.346
  244    HB   THR  37           HB       THR  37   0.012   5.679   1.091
  245    HG1  THR  37           1HG      THR  37   0.031   7.857   2.163
  246   1HG2  THR  37          1HG2      THR  37  -2.272   6.478  -0.020
  247   2HG2  THR  37          2HG2      THR  37  -0.770   7.363  -0.283
  248   3HG2  THR  37          3HG2      THR  37  -1.936   7.937   0.909
  249    H    THR  38           H        THR  38  -0.733   2.935   2.008
  250    HA   THR  38           HA       THR  38   0.280   2.999   4.810
  251    HB   THR  38           HB       THR  38  -1.851   1.917   5.019
  252    HG1  THR  38           1HG      THR  38   0.060  -0.138   4.630
  253   1HG2  THR  38          1HG2      THR  38  -1.159   0.850   2.341
  254   2HG2  THR  38          2HG2      THR  38  -2.728   1.287   3.013
  255   3HG2  THR  38          3HG2      THR  38  -2.009  -0.273   3.405
  256    H    TRP  39           H        TRP  39   2.445   2.603   4.555
  257    HA   TRP  39           HA       TRP  39   3.758   1.609   2.288
  258   1HB   TRP  39          2HB       TRP  39   4.414   1.435   5.242
  259   2HB   TRP  39          1HB       TRP  39   5.577   1.068   3.969
  260    HD1  TRP  39           HD       TRP  39   5.028   3.718   6.157
  261    HE1  TRP  39           1HE      TRP  39   5.559   6.031   5.149
  262    HE3  TRP  39           3HE      TRP  39   5.032   2.543   1.180
  263    HZ2  TRP  39           2HZ      TRP  39   5.934   7.224   2.580
  264    HZ3  TRP  39           3HZ      TRP  39   5.478   4.287  -0.519
  265    HH2  TRP  39           HH       TRP  39   5.928   6.624   0.173
  266    H    GLN  40           H        GLN  40   3.680  -0.381   5.240
  267    HA   GLN  40           HA       GLN  40   3.364  -2.792   3.499
  268   1HB   GLN  40          2HB       GLN  40   4.406  -3.945   5.421
  269   2HB   GLN  40          1HB       GLN  40   5.390  -2.572   4.911
  270   1HG   GLN  40          1HG       GLN  40   4.608  -1.222   6.726
  271   2HG   GLN  40          2HG       GLN  40   3.324  -2.367   7.114
  272   1HE2  GLN  40          1HE2      GLN  40   6.479  -1.443   7.965
  273   2HE2  GLN  40          2HE2      GLN  40   6.927  -2.846   8.808
  274    H    ASP  41           H        ASP  41   1.747  -4.323   3.985
  275    HA   ASP  41           HA       ASP  41   0.113  -4.335   6.338
  276   1HB   ASP  41          1HB       ASP  41  -0.428  -2.279   4.398
  277   2HB   ASP  41          2HB       ASP  41  -1.792  -3.398   4.437
  278    HA   PRO  42           HA       PRO  42  -1.988  -7.048   3.026
  279   1HB   PRO  42          2HB       PRO  42  -1.206  -6.802   0.415
  280   2HB   PRO  42          1HB       PRO  42  -2.513  -5.837   1.127
  281   1HG   PRO  42          1HG       PRO  42   0.320  -5.094   0.583
  282   2HG   PRO  42          2HG       PRO  42  -1.152  -4.129   0.409
  283   1HD   PRO  42          2HD       PRO  42   0.580  -3.901   2.511
  284   2HD   PRO  42          1HD       PRO  42  -1.147  -3.502   2.608
  285    H    ARG  43           H        ARG  43   1.408  -6.258   2.392
  286    HA   ARG  43           HA       ARG  43   2.322  -8.904   3.102
  287   1HB   ARG  43          2HB       ARG  43   1.272  -9.449   0.961
  288   2HB   ARG  43          1HB       ARG  43   2.161  -8.152   0.165
  289   1HG   ARG  43          1HG       ARG  43   4.247  -9.267   0.457
  290   2HG   ARG  43          2HG       ARG  43   3.561 -10.404   1.618
  291   1HD   ARG  43          2HD       ARG  43   2.105 -11.317  -0.216
  292   2HD   ARG  43          1HD       ARG  43   2.955 -10.260  -1.357
  293    HE   ARG  43           HE       ARG  43   4.043 -12.673  -0.131
  294   1HH1  ARG  43          1HH2      ARG  43   4.797  -9.518  -1.396
  295   2HH1  ARG  43          2HH2      ARG  43   6.432  -9.939  -1.770
  296   1HH2  ARG  43          1HH1      ARG  43   6.170 -13.193  -0.624
  297   2HH2  ARG  43          2HH1      ARG  43   7.206 -12.003  -1.336
  298    H    LYS  44           H        LYS  44   3.149  -6.219   0.867
  299    HA   LYS  44           HA       LYS  44   5.868  -6.138   2.132
  300   1HB   LYS  44          1HB       LYS  44   4.914  -6.283  -0.561
  301   2HB   LYS  44          2HB       LYS  44   5.713  -4.725  -0.353
  302   1HG   LYS  44          1HG       LYS  44   6.966  -7.313   0.585
  303   2HG   LYS  44          2HG       LYS  44   7.212  -6.688  -1.047
  304   1HD   LYS  44          1HD       LYS  44   8.021  -4.540  -0.044
  305   2HD   LYS  44          2HD       LYS  44   7.897  -5.282   1.551
  306   1HE   LYS  44          2HE       LYS  44   9.587  -6.908   1.023
  307   2HE   LYS  44          1HE       LYS  44   9.553  -6.475  -0.697
  308   1HZ   LYS  44          1HZ       LYS  44  10.485  -4.840   1.595
  309   2HZ   LYS  44          2HZ       LYS  44  10.081  -4.137   0.102
  310   3HZ   LYS  44          3HZ       LYS  44  11.347  -5.268   0.198
  311   1HN   NH2  45          1HN       NH2  45   6.563  -4.101   2.969
  312   2HN   NH2  45          2HN       NH2  45   5.604  -2.700   2.956
  313    H    GLY  45           H        GLY  45   9.350  11.286  11.858
  314   1HA   GLY  45          2HA       GLY  45   9.350  13.848  10.645
  315   2HA   GLY  45          1HA       GLY  45  11.031  13.322  10.765
  316    H    THR  46           H        THR  46   7.929  12.672   9.261
  317    HA   THR  46           HA       THR  46   9.162  11.463   6.945
  318    HB   THR  46           HB       THR  46   9.514   9.640   8.535
  319    HG1  THR  46           1HG      THR  46   8.015   8.082   7.494
  320   1HG2  THR  46          1HG2      THR  46   6.786   8.881   9.038
  321   2HG2  THR  46          2HG2      THR  46   7.035  10.543   9.571
  322   3HG2  THR  46          3HG2      THR  46   8.058   9.253  10.202
  323    HA   PRO  47           HA       PRO  47   4.912  13.036   6.300
  324   1HB   PRO  47          2HB       PRO  47   5.401  14.041   3.803
  325   2HB   PRO  47          1HB       PRO  47   5.748  14.938   5.293
  326   1HG   PRO  47          2HG       PRO  47   7.593  13.409   3.520
  327   2HG   PRO  47          1HG       PRO  47   7.853  14.946   4.356
  328   1HD   PRO  47          2HD       PRO  47   8.836  12.555   5.240
  329   2HD   PRO  47          1HD       PRO  47   8.455  13.919   6.314
  330    HA   PRO  48           HA       PRO  48   4.339   9.171   4.003
  331   1HB   PRO  48          2HB       PRO  48   1.687   8.882   4.616
  332   2HB   PRO  48          1HB       PRO  48   2.991   8.411   5.721
  333   1HG   PRO  48          2HG       PRO  48   1.296  10.864   5.713
  334   2HG   PRO  48          1HG       PRO  48   1.866   9.894   7.077
  335   1HD   PRO  48          1HD       PRO  48   3.001  12.260   6.331
  336   2HD   PRO  48          2HD       PRO  48   3.895  10.961   7.148
  337    HA   PRO  49           HA       PRO  49   2.498  10.762   0.331
  338   1HB   PRO  49          2HB       PRO  49   1.337   8.535  -0.764
  339   2HB   PRO  49          1HB       PRO  49   3.093   8.797  -0.734
  340   1HG   PRO  49          2HG       PRO  49   1.405   7.093   1.021
  341   2HG   PRO  49          1HG       PRO  49   3.022   6.793   0.373
  342   1HD   PRO  49          2HD       PRO  49   2.531   7.609   2.939
  343   2HD   PRO  49          1HD       PRO  49   4.046   7.938   2.071
  344    HA   PRO  50           HA       PRO  50  -1.678  11.385   1.977
  345   1HB   PRO  50          2HB       PRO  50  -2.141  13.749   0.685
  346   2HB   PRO  50          1HB       PRO  50  -1.195  13.639   2.182
  347   1HG   PRO  50          2HG       PRO  50  -0.266  13.915  -0.626
  348   2HG   PRO  50          1HG       PRO  50   0.391  14.624   0.858
  349   1HD   PRO  50          2HD       PRO  50   1.466  12.445  -0.412
  350   2HD   PRO  50          1HD       PRO  50   1.668  12.795   1.317
  351    H    TYR  51           H        TYR  51  -3.782  12.184   0.609
  352    HA   TYR  51           HA       TYR  51  -4.248  10.196  -1.410
  353   1HB   TYR  51          1HB       TYR  51  -5.670  12.747  -0.592
  354   2HB   TYR  51          2HB       TYR  51  -6.356  11.570  -1.711
  355    HD1  TYR  51           1HD      TYR  51  -6.038   9.007  -0.775
  356    HD2  TYR  51           2HD      TYR  51  -6.390  12.565   1.607
  357    HE1  TYR  51           1HE      TYR  51  -6.829   7.646   1.142
  358    HE2  TYR  51           2HE      TYR  51  -7.182  11.203   3.523
  359    HH   TYR  51           HH       TYR  51  -8.030   7.861   3.174
  360    H    THR  52           H        THR  52  -5.543  11.546  -3.479
  361    HA   THR  52           HA       THR  52  -5.075  12.528  -5.577
  362    HB   THR  52           HB       THR  52  -3.299  14.318  -3.899
  363    HG1  THR  52           1HG      THR  52  -5.017  14.942  -2.902
  364   1HG2  THR  52          1HG2      THR  52  -4.131  14.332  -6.615
  365   2HG2  THR  52          2HG2      THR  52  -3.223  15.577  -5.757
  366   3HG2  THR  52          3HG2      THR  52  -4.984  15.644  -5.803
  367    H    VAL  53           H        VAL  53  -3.855  10.922  -6.644
  368    HA   VAL  53           HA       VAL  53  -1.001  10.547  -6.053
  369    HB   VAL  53           HB       VAL  53  -2.886   9.477  -8.179
  370   1HG1  VAL  53          1HG1      VAL  53  -1.132   7.735  -8.500
  371   2HG1  VAL  53          2HG1      VAL  53  -0.076   8.632  -7.409
  372   3HG1  VAL  53          3HG1      VAL  53  -0.565   9.345  -8.947
  373   1HG2  VAL  53          1HG2      VAL  53  -3.473   7.871  -6.685
  374   2HG2  VAL  53          2HG2      VAL  53  -2.853   8.986  -5.468
  375   3HG2  VAL  53          3HG2      VAL  53  -1.822   7.696  -6.090
  376    H    GLY  54           H        GLY  54   0.222  12.337  -6.690
  377   1HA   GLY  54          1HA       GLY  54  -0.265  13.457  -9.406
  378   2HA   GLY  54          2HA       GLY  54   0.657  14.255  -8.132
  Start of MODEL    9
    1    H    PHE   5           H        PHE   5   9.460  -1.902 -14.379
    2    HA   PHE   5           HA       PHE   5   7.460  -3.455 -15.878
    3   1HB   PHE   5          2HB       PHE   5  10.067  -4.496 -15.047
    4   2HB   PHE   5          1HB       PHE   5   8.730  -5.448 -14.403
    5    HD1  PHE   5           1HD      PHE   5   7.013  -6.407 -15.959
    6    HD2  PHE   5           2HD      PHE   5  10.590  -4.502 -17.386
    7    HE1  PHE   5           1HE      PHE   5   6.682  -7.453 -18.182
    8    HE2  PHE   5           2HE      PHE   5  10.259  -5.549 -19.609
    9    HZ   PHE   5           HZ       PHE   5   8.305  -7.024 -20.008
   10    H    GLU   6           H        GLU   6   6.120  -2.126 -14.392
   11    HA   GLU   6           HA       GLU   6   6.280  -2.067 -11.581
   12   1HB   GLU   6          2HB       GLU   6   3.810  -1.657 -11.761
   13   2HB   GLU   6          1HB       GLU   6   4.747  -0.716 -12.923
   14   1HG   GLU   6          2HG       GLU   6   4.019  -3.355 -13.952
   15   2HG   GLU   6          1HG       GLU   6   2.609  -2.380 -13.539
   16    H    ILE   7           H        ILE   7   5.441  -3.441  -9.941
   17    HA   ILE   7           HA       ILE   7   5.553  -6.245 -10.329
   18    HB   ILE   7           HB       ILE   7   4.148  -4.540  -8.247
   19   1HG1  ILE   7          1HG1      ILE   7   6.891  -5.841  -8.301
   20   2HG1  ILE   7          2HG1      ILE   7   6.571  -4.115  -8.469
   21   1HG2  ILE   7          1HG2      ILE   7   4.302  -6.531  -6.804
   22   2HG2  ILE   7          2HG2      ILE   7   4.997  -7.452  -8.139
   23   3HG2  ILE   7          3HG2      ILE   7   3.333  -6.875  -8.237
   24   1HD1  ILE   7          1HD1      ILE   7   7.223  -4.808  -6.134
   25   2HD1  ILE   7          2HD1      ILE   7   5.738  -5.755  -6.060
   26   3HD1  ILE   7          3HD1      ILE   7   5.657  -4.001  -6.229
   27    HA   PRO   8           HA       PRO   8   1.533  -6.754 -12.222
   28   1HB   PRO   8          2HB       PRO   8   1.564  -9.490 -12.362
   29   2HB   PRO   8          1HB       PRO   8   2.436  -8.450 -13.502
   30   1HG   PRO   8          2HG       PRO   8   3.454 -10.014 -11.194
   31   2HG   PRO   8          1HG       PRO   8   4.230  -9.641 -12.738
   32   1HD   PRO   8          1HD       PRO   8   4.781  -8.367 -10.352
   33   2HD   PRO   8          2HD       PRO   8   5.117  -7.701 -11.963
   34    H    ASP   9           H        ASP   9   2.338  -9.289  -9.820
   35    HA   ASP   9           HA       ASP   9   0.532  -8.468  -7.801
   36   1HB   ASP   9          1HB       ASP   9  -1.231 -10.362  -8.383
   37   2HB   ASP   9          2HB       ASP   9  -1.361  -8.775  -9.134
   38    H    ASP  10           H        ASP  10   0.250 -11.827  -8.815
   39    HA   ASP  10           HA       ASP  10   1.010 -13.781  -7.721
   40   1HB   ASP  10          1HB       ASP  10   3.089 -12.194  -8.806
   41   2HB   ASP  10          2HB       ASP  10   3.692 -12.813  -7.269
   42    H    VAL  11           H        VAL  11   0.074 -11.455  -5.950
   43    HA   VAL  11           HA       VAL  11   1.104 -12.576  -3.412
   44    HB   VAL  11           HB       VAL  11   1.736 -10.254  -2.660
   45   1HG1  VAL  11          1HG2      VAL  11   3.245 -10.971  -5.172
   46   2HG1  VAL  11          2HG2      VAL  11   3.318 -11.995  -3.738
   47   3HG1  VAL  11          3HG2      VAL  11   3.877 -10.326  -3.658
   48   1HG2  VAL  11          1HG1      VAL  11   1.026  -8.526  -3.917
   49   2HG2  VAL  11          2HG1      VAL  11   0.506  -9.620  -5.198
   50   3HG2  VAL  11          3HG1      VAL  11   2.167  -9.027  -5.166
   51    HA   PRO  12           HA       PRO  12  -2.957 -11.576  -2.068
   52   1HB   PRO  12          1HB       PRO  12  -2.586 -10.886   0.554
   53   2HB   PRO  12          2HB       PRO  12  -2.472 -12.554  -0.035
   54   1HG   PRO  12          1HG       PRO  12  -0.304 -10.607   0.592
   55   2HG   PRO  12          2HG       PRO  12  -0.379 -12.348   0.900
   56   1HD   PRO  12          2HD       PRO  12   1.019 -11.238  -1.163
   57   2HD   PRO  12          1HD       PRO  12   0.338 -12.877  -1.212
   58    H    LEU  13           H        LEU  13  -2.230  -9.468  -3.562
   59    HA   LEU  13           HA       LEU  13  -1.840  -6.925  -2.365
   60   1HB   LEU  13          1HB       LEU  13  -2.131  -7.954  -4.870
   61   2HB   LEU  13          2HB       LEU  13  -3.693  -7.161  -4.680
   62    HG   LEU  13           HG       LEU  13  -1.428  -5.528  -3.759
   63   1HD1  LEU  13          1HD1      LEU  13  -1.417  -6.778  -6.445
   64   2HD1  LEU  13          2HD1      LEU  13  -0.083  -6.091  -5.516
   65   3HD1  LEU  13          3HD1      LEU  13  -1.167  -5.032  -6.420
   66   1HD2  LEU  13          1HD2      LEU  13  -2.972  -4.377  -5.876
   67   2HD2  LEU  13          2HD2      LEU  13  -3.025  -3.988  -4.158
   68   3HD2  LEU  13          3HD2      LEU  13  -4.072  -5.249  -4.809
   69    HA   PRO  14           HA       PRO  14  -5.646  -6.319  -0.210
   70   1HB   PRO  14          2HB       PRO  14  -5.814  -3.591  -0.279
   71   2HB   PRO  14          1HB       PRO  14  -4.710  -4.467   0.785
   72   1HG   PRO  14          1HG       PRO  14  -4.172  -3.169  -1.855
   73   2HG   PRO  14          2HG       PRO  14  -3.213  -3.126  -0.367
   74   1HD   PRO  14          2HD       PRO  14  -2.576  -4.735  -2.426
   75   2HD   PRO  14          1HD       PRO  14  -2.310  -5.224  -0.738
   76    H    ALA  15           H        ALA  15  -7.792  -6.307  -0.809
   77    HA   ALA  15           HA       ALA  15  -8.451  -5.948  -3.650
   78   1HB   ALA  15          1HB       ALA  15  -9.307  -7.841  -2.471
   79   2HB   ALA  15          2HB       ALA  15 -10.682  -6.770  -2.746
   80   3HB   ALA  15          3HB       ALA  15  -9.911  -6.829  -1.160
   81    H    GLY  16           H        GLY  16  -9.499  -4.208  -4.522
   82   1HA   GLY  16          1HA       GLY  16 -10.941  -2.319  -4.610
   83   2HA   GLY  16          2HA       GLY  16 -11.208  -2.479  -2.870
   84    H    TRP  17           H        TRP  17  -8.086  -2.390  -4.487
   85    HA   TRP  17           HA       TRP  17  -7.491   0.176  -3.053
   86   1HB   TRP  17          2HB       TRP  17  -6.038  -2.420  -3.472
   87   2HB   TRP  17          1HB       TRP  17  -5.116  -0.948  -3.169
   88    HD1  TRP  17           HD       TRP  17  -8.295  -2.540  -1.583
   89    HE1  TRP  17           1HE      TRP  17  -8.070  -2.341   0.981
   90    HE3  TRP  17           3HE      TRP  17  -3.776  -0.250  -1.293
   91    HZ2  TRP  17           2HZ      TRP  17  -6.154  -1.347   2.902
   92    HZ3  TRP  17           3HZ      TRP  17  -2.757   0.307   0.876
   93    HH2  TRP  17           HH       TRP  17  -3.949  -0.236   2.983
   94    H    GLU  18           H        GLU  18  -5.273   1.041  -4.103
   95    HA   GLU  18           HA       GLU  18  -5.084   0.692  -7.017
   96   1HB   GLU  18          2HB       GLU  18  -7.064   2.250  -6.420
   97   2HB   GLU  18          1HB       GLU  18  -5.831   3.407  -5.914
   98   1HG   GLU  18          1HG       GLU  18  -5.770   4.055  -8.082
   99   2HG   GLU  18          2HG       GLU  18  -4.909   2.545  -8.383
  100    H    MET  19           H        MET  19  -2.912   0.116  -5.951
  101    HA   MET  19           HA       MET  19  -1.264   1.899  -4.556
  102   1HB   MET  19          2HB       MET  19   0.548   0.520  -5.385
  103   2HB   MET  19          1HB       MET  19  -0.859  -0.500  -5.114
  104   1HG   MET  19          1HG       MET  19  -1.208   0.300  -7.733
  105   2HG   MET  19          2HG       MET  19   0.543   0.122  -7.608
  106   1HE   MET  19          1HE       MET  19  -2.733  -2.995  -7.225
  107   2HE   MET  19          2HE       MET  19  -2.852  -1.241  -7.344
  108   3HE   MET  19          3HE       MET  19  -2.466  -1.987  -5.795
  109    H    ALA  20           H        ALA  20  -0.190   3.739  -5.079
  110    HA   ALA  20           HA       ALA  20  -0.223   4.622  -7.945
  111   1HB   ALA  20          1HB       ALA  20  -0.492   6.871  -7.005
  112   2HB   ALA  20          2HB       ALA  20  -0.315   6.228  -5.372
  113   3HB   ALA  20          3HB       ALA  20  -1.727   5.801  -6.340
  114    H    LYS  21           H        LYS  21   1.840   3.561  -5.523
  115    HA   LYS  21           HA       LYS  21   4.157   3.767  -5.186
  116   1HB   LYS  21          2HB       LYS  21   4.443   3.053  -7.386
  117   2HB   LYS  21          1HB       LYS  21   3.650   4.464  -8.071
  118   1HG   LYS  21          1HG       LYS  21   5.618   5.841  -7.430
  119   2HG   LYS  21          2HG       LYS  21   6.397   4.402  -6.773
  120   1HD   LYS  21          2HD       LYS  21   7.223   4.825  -9.039
  121   2HD   LYS  21          1HD       LYS  21   6.269   3.341  -9.022
  122   1HE   LYS  21          2HE       LYS  21   5.706   4.841 -10.963
  123   2HE   LYS  21          1HE       LYS  21   4.316   4.560  -9.898
  124   1HZ   LYS  21          1HZ       LYS  21   4.583   6.623  -8.883
  125   2HZ   LYS  21          2HZ       LYS  21   4.909   6.975 -10.512
  126   3HZ   LYS  21          3HZ       LYS  21   6.185   6.799  -9.407
  127    H    THR  22           H        THR  22   5.955   5.461  -5.201
  128    HA   THR  22           HA       THR  22   4.747   8.128  -4.551
  129    HB   THR  22           HB       THR  22   6.654   8.350  -3.035
  130    HG1  THR  22           1HG      THR  22   7.463   5.821  -4.027
  131   1HG2  THR  22          1HG2      THR  22   5.740   5.503  -2.691
  132   2HG2  THR  22          2HG2      THR  22   4.600   6.837  -2.505
  133   3HG2  THR  22          3HG2      THR  22   6.016   6.735  -1.459
  134    H    SER  23           H        SER  23   6.139  10.034  -5.082
  135    HA   SER  23           HA       SER  23   7.307   9.766  -7.774
  136   1HB   SER  23          1HB       SER  23   7.270  12.259  -6.088
  137   2HB   SER  23          2HB       SER  23   7.036  12.097  -7.829
  138    HG   SER  23           HG       SER  23   5.218  12.010  -5.830
  139    H    ESD  24           H        ESD  24   9.455  10.942  -8.170
  140   1HG   ESD  24          1HG       ESD  24  12.357  10.198  -8.639
  141   2HG   ESD  24          2HG       ESD  24  11.120   9.021  -8.196
  142   2HD   ESD  24          2HD       ESD  24  11.341  10.493  -5.875
  143   1HD   ESD  24          1HD       ESD  24  11.585  11.728  -7.127
  144   2HA   ESD  24          2HA       ESD  24  10.972   7.550  -6.717
  145   1HA   ESD  24          1HA       ESD  24  11.702   7.961  -5.125
  146    H    GLY  25           H        GLY  25  10.720   5.481  -5.470
  147   1HA   GLY  25          1HA       GLY  25  12.341   3.437  -5.179
  148   2HA   GLY  25          2HA       GLY  25  13.014   4.431  -3.886
  149    H    GLN  26           H        GLN  26  10.225   5.507  -3.347
  150    HA   GLN  26           HA       GLN  26   9.428   3.355  -1.483
  151   1HB   GLN  26          2HB       GLN  26   9.516   6.136  -1.466
  152   2HB   GLN  26          1HB       GLN  26   7.795   5.783  -1.618
  153   1HG   GLN  26          1HG       GLN  26   7.887   5.557   0.646
  154   2HG   GLN  26          2HG       GLN  26   8.532   3.959   0.277
  155   1HE2  GLN  26          1HE2      GLN  26   9.961   3.888   2.132
  156   2HE2  GLN  26          2HE2      GLN  26  11.316   4.905   2.265
  157    H    ARG  27           H        ARG  27   6.936   3.037  -1.286
  158    HA   ARG  27           HA       ARG  27   5.250   3.470  -3.591
  159   1HB   ARG  27          2HB       ARG  27   5.292   1.142  -4.433
  160   2HB   ARG  27          1HB       ARG  27   6.892   1.877  -4.536
  161   1HG   ARG  27          1HG       ARG  27   7.448   0.819  -2.325
  162   2HG   ARG  27          2HG       ARG  27   5.901  -0.026  -2.393
  163   1HD   ARG  27          2HD       ARG  27   6.977  -1.649  -3.567
  164   2HD   ARG  27          1HD       ARG  27   7.086  -0.488  -4.905
  165    HE   ARG  27           HE       ARG  27   9.151   0.277  -3.241
  166   1HH1  ARG  27          1HH2      ARG  27   8.185  -2.751  -4.664
  167   2HH1  ARG  27          2HH2      ARG  27   9.802  -3.358  -4.736
  168   1HH2  ARG  27          1HH1      ARG  27  11.241  -0.536  -3.345
  169   2HH2  ARG  27          2HH1      ARG  27  11.521  -2.116  -3.995
  170    H    TYR  28           H        TYR  28   3.121   2.535  -3.261
  171    HA   TYR  28           HA       TYR  28   2.600   0.866  -0.911
  172   1HB   TYR  28          2HB       TYR  28   1.259   2.611   0.240
  173   2HB   TYR  28          1HB       TYR  28   2.939   3.111   0.076
  174    HD1  TYR  28           1HD      TYR  28  -0.398   4.175  -0.322
  175    HD2  TYR  28           2HD      TYR  28   3.451   4.444  -2.223
  176    HE1  TYR  28           1HE      TYR  28  -1.101   6.242  -1.486
  177    HE2  TYR  28           2HE      TYR  28   2.735   6.501  -3.379
  178    HH   TYR  28           HH       TYR  28   0.999   8.350  -2.934
  179    H    PHE  29           H        PHE  29   0.164   0.545  -0.683
  180    HA   PHE  29           HA       PHE  29  -0.932   0.348  -3.396
  181   1HB   PHE  29          1HB       PHE  29  -1.565  -0.926  -0.745
  182   2HB   PHE  29          2HB       PHE  29  -2.476  -1.276  -2.216
  183    HD1  PHE  29           1HD      PHE  29  -1.573  -2.729  -3.899
  184    HD2  PHE  29           2HD      PHE  29   0.927  -1.249  -0.742
  185    HE1  PHE  29           1HE      PHE  29   0.278  -4.181  -4.675
  186    HE2  PHE  29           2HE      PHE  29   2.776  -2.700  -1.506
  187    HZ   PHE  29           HZ       PHE  29   2.450  -4.180  -3.477
  188    H    LEU  30           H        LEU  30  -1.036   2.664  -1.283
  189    HA   LEU  30           HA       LEU  30  -2.564   4.404  -0.770
  190   1HB   LEU  30          2HB       LEU  30  -2.245   3.875  -3.438
  191   2HB   LEU  30          1HB       LEU  30  -3.996   3.797  -3.276
  192    HG   LEU  30           HG       LEU  30  -3.001   6.054  -1.785
  193   1HD1  LEU  30          1HD2      LEU  30  -2.533   6.464  -4.702
  194   2HD1  LEU  30          2HD2      LEU  30  -1.274   5.623  -3.794
  195   3HD1  LEU  30          3HD2      LEU  30  -1.769   7.250  -3.320
  196   1HD2  LEU  30          1HD1      LEU  30  -4.577   7.248  -3.319
  197   2HD2  LEU  30          2HD1      LEU  30  -5.299   5.834  -2.549
  198   3HD2  LEU  30          3HD1      LEU  30  -4.766   5.748  -4.229
  199    H    ASN  31           H        ASN  31  -3.818   3.524   0.977
  200    HA   ASN  31           HA       ASN  31  -6.055   1.703   0.494
  201   1HB   ASN  31          1HB       ASN  31  -4.514   2.052   2.580
  202   2HB   ASN  31          2HB       ASN  31  -5.603   3.385   2.956
  203   1HD2  ASN  31          1HD2      ASN  31  -5.852   1.643   4.885
  204   2HD2  ASN  31          2HD2      ASN  31  -7.158   0.577   4.688
  205    H    HIS  32           H        HIS  32  -6.619   3.714  -1.225
  206    HA   HIS  32           HA       HIS  32  -7.927   6.036  -0.304
  207   1HB   HIS  32          2HB       HIS  32  -9.024   5.974  -2.500
  208   2HB   HIS  32          1HB       HIS  32  -7.348   5.452  -2.656
  209    HD1  HIS  32           1HD      HIS  32 -10.779   4.382  -3.315
  210    HD2  HIS  32           2HD      HIS  32  -7.101   2.494  -2.775
  211    HE1  HIS  32           1HE      HIS  32 -11.044   2.029  -4.213
  212    H    ILE  33           H        ILE  33  -9.185   2.722  -0.646
  213    HA   ILE  33           HA       ILE  33 -11.925   3.124  -0.207
  214    HB   ILE  33           HB       ILE  33 -11.686   0.861   1.086
  215   1HG1  ILE  33          1HG1      ILE  33  -9.110   0.363  -0.159
  216   2HG1  ILE  33          2HG1      ILE  33  -8.990   1.616   1.074
  217   1HG2  ILE  33          1HG2      ILE  33 -11.233  -0.317  -1.061
  218   2HG2  ILE  33          2HG2      ILE  33 -10.718   1.218  -1.759
  219   3HG2  ILE  33          3HG2      ILE  33 -12.389   1.002  -1.237
  220   1HD1  ILE  33          1HD1      ILE  33  -8.701  -0.758   1.930
  221   2HD1  ILE  33          2HD1      ILE  33 -10.397  -1.027   1.531
  222   3HD1  ILE  33          3HD1      ILE  33  -9.956   0.175   2.744
  223    H    ASP  34           H        ASP  34  -9.308   3.158   2.184
  224    HA   ASP  34           HA       ASP  34 -11.258   3.723   4.355
  225   1HB   ASP  34          1HB       ASP  34  -9.554   2.034   4.752
  226   2HB   ASP  34          2HB       ASP  34  -8.278   3.155   4.275
  227    H    GLN  35           H        GLN  35  -8.011   5.083   4.443
  228    HA   GLN  35           HA       GLN  35  -8.593   7.705   3.425
  229   1HB   GLN  35          1HB       GLN  35  -8.867   8.815   5.675
  230   2HB   GLN  35          2HB       GLN  35 -10.212   7.763   5.243
  231   1HG   GLN  35          1HG       GLN  35  -9.642   6.163   6.814
  232   2HG   GLN  35          2HG       GLN  35  -7.925   6.565   6.753
  233   1HE2  GLN  35          1HE2      GLN  35  -7.545   9.024   7.538
  234   2HE2  GLN  35          2HE2      GLN  35  -8.363   9.441   8.966
  235    H    THR  36           H        THR  36  -6.364   5.852   3.460
  236    HA   THR  36           HA       THR  36  -4.180   7.623   4.058
  237    HB   THR  36           HB       THR  36  -3.530   5.718   5.976
  238    HG1  THR  36           1HG      THR  36  -5.548   4.873   6.125
  239   1HG2  THR  36          1HG2      THR  36  -4.698   7.794   7.405
  240   2HG2  THR  36          2HG2      THR  36  -4.281   8.530   5.859
  241   3HG2  THR  36          3HG2      THR  36  -3.034   7.743   6.825
  242    H    THR  37           H        THR  37  -2.190   5.668   4.634
  243    HA   THR  37           HA       THR  37  -2.524   3.715   2.389
  244    HB   THR  37           HB       THR  37  -0.259   4.242   1.681
  245    HG1  THR  37           1HG      THR  37   0.834   4.777   3.452
  246   1HG2  THR  37          1HG2      THR  37  -2.160   5.692   0.908
  247   2HG2  THR  37          2HG2      THR  37  -0.595   6.508   0.894
  248   3HG2  THR  37          3HG2      THR  37  -1.747   6.831   2.190
  249    H    THR  38           H        THR  38  -2.200   1.684   3.119
  250    HA   THR  38           HA       THR  38  -1.354   1.042   5.768
  251    HB   THR  38           HB       THR  38  -2.727  -0.452   4.438
  252    HG1  THR  38           1HG      THR  38  -0.209  -1.701   4.672
  253   1HG2  THR  38          1HG2      THR  38  -0.428  -1.165   2.654
  254   2HG2  THR  38          2HG2      THR  38  -1.393   0.251   2.256
  255   3HG2  THR  38          3HG2      THR  38  -2.156  -1.333   2.364
  256    H    TRP  39           H        TRP  39   0.499   1.879   2.988
  257    HA   TRP  39           HA       TRP  39   2.824   1.985   2.640
  258   1HB   TRP  39          1HB       TRP  39   2.251   2.837   5.135
  259   2HB   TRP  39          2HB       TRP  39   3.302   1.479   5.534
  260    HD1  TRP  39           HD       TRP  39   5.555   2.551   6.066
  261    HE1  TRP  39           1HE      TRP  39   7.152   4.157   4.835
  262    HE3  TRP  39           3HE      TRP  39   2.636   3.815   2.064
  263    HZ2  TRP  39           2HZ      TRP  39   7.190   5.761   2.470
  264    HZ3  TRP  39           3HZ      TRP  39   3.480   5.380   0.340
  265    HH2  TRP  39           HH       TRP  39   5.751   6.356   0.538
  266    H    GLN  40           H        GLN  40   4.841   0.653   4.233
  267    HA   GLN  40           HA       GLN  40   5.183  -1.770   2.868
  268   1HB   GLN  40          2HB       GLN  40   6.680  -0.257   4.442
  269   2HB   GLN  40          1HB       GLN  40   6.183  -1.420   5.672
  270   1HG   GLN  40          2HG       GLN  40   7.741  -2.850   4.902
  271   2HG   GLN  40          1HG       GLN  40   6.883  -2.916   3.361
  272   1HE2  GLN  40          1HE2      GLN  40   9.908  -2.698   4.148
  273   2HE2  GLN  40          2HE2      GLN  40  10.470  -1.436   3.161
  274    H    ASP  41           H        ASP  41   3.624  -3.358   2.888
  275    HA   ASP  41           HA       ASP  41   3.324  -5.067   5.149
  276   1HB   ASP  41          1HB       ASP  41   1.721  -2.703   5.187
  277   2HB   ASP  41          2HB       ASP  41   0.644  -4.074   4.915
  278    HA   PRO  42           HA       PRO  42   0.589  -6.525   1.631
  279   1HB   PRO  42          1HB       PRO  42  -0.545  -4.734  -0.093
  280   2HB   PRO  42          2HB       PRO  42  -1.233  -5.106   1.496
  281   1HG   PRO  42          1HG       PRO  42   0.064  -2.672   0.573
  282   2HG   PRO  42          2HG       PRO  42  -0.895  -2.947   2.027
  283   1HD   PRO  42          2HD       PRO  42   2.000  -2.858   1.732
  284   2HD   PRO  42          1HD       PRO  42   1.021  -2.859   3.208
  285    H    ARG  43           H        ARG  43   3.374  -4.998   1.237
  286    HA   ARG  43           HA       ARG  43   3.875  -4.424  -1.448
  287   1HB   ARG  43          1HB       ARG  43   5.351  -5.355   0.923
  288   2HB   ARG  43          2HB       ARG  43   6.139  -5.749  -0.604
  289   1HG   ARG  43          1HG       ARG  43   6.175  -3.451  -1.281
  290   2HG   ARG  43          2HG       ARG  43   5.091  -2.982   0.030
  291   1HD   ARG  43          1HD       ARG  43   7.264  -2.353   0.796
  292   2HD   ARG  43          2HD       ARG  43   6.947  -3.896   1.610
  293    HE   ARG  43           HE       ARG  43   8.180  -4.206  -1.025
  294   1HH1  ARG  43          1HH2      ARG  43   8.733  -3.700   2.374
  295   2HH1  ARG  43          2HH2      ARG  43  10.334  -4.352   2.324
  296   1HH2  ARG  43          1HH1      ARG  43  10.261  -5.049  -1.066
  297   2HH2  ARG  43          2HH1      ARG  43  11.194  -5.111   0.392
  298    H    LYS  44           H        LYS  44   5.153  -7.503  -0.251
  299    HA   LYS  44           HA       LYS  44   3.616  -9.094  -2.183
  300   1HB   LYS  44          1HB       LYS  44   6.396  -8.087  -2.647
  301   2HB   LYS  44          2HB       LYS  44   6.012  -9.719  -3.194
  302   1HG   LYS  44          1HG       LYS  44   3.820  -8.334  -4.073
  303   2HG   LYS  44          2HG       LYS  44   5.084  -7.114  -4.233
  304   1HD   LYS  44          1HD       LYS  44   5.645  -9.892  -5.206
  305   2HD   LYS  44          2HD       LYS  44   4.624  -8.843  -6.191
  306   1HE   LYS  44          1HE       LYS  44   6.375  -7.465  -6.749
  307   2HE   LYS  44          2HE       LYS  44   7.117  -7.599  -5.144
  308   1HZ   LYS  44          1HZ       LYS  44   8.503  -8.859  -6.530
  309   2HZ   LYS  44          2HZ       LYS  44   7.200  -9.535  -7.387
  310   3HZ   LYS  44          3HZ       LYS  44   7.514 -10.022  -5.790
  311   1HN   NH2  45          1HN       NH2  45   3.225 -10.264  -0.077
  312   2HN   NH2  45          2HN       NH2  45   4.418 -11.301   0.543
  313    H    GLY  45           H        GLY  45  15.982   9.325   3.742
  314   1HA   GLY  45          2HA       GLY  45  14.003  11.283   2.896
  315   2HA   GLY  45          1HA       GLY  45  14.937  10.232   1.830
  316    H    THR  46           H        THR  46  12.497   9.701   4.405
  317    HA   THR  46           HA       THR  46  11.012   7.965   2.457
  318    HB   THR  46           HB       THR  46  11.526   7.595   5.427
  319    HG1  THR  46           1HG      THR  46  12.447   6.309   3.082
  320   1HG2  THR  46          1HG2      THR  46  10.483   5.268   4.740
  321   2HG2  THR  46          2HG2      THR  46   9.720   6.224   3.469
  322   3HG2  THR  46          3HG2      THR  46   9.434   6.623   5.163
  323    HA   PRO  47           HA       PRO  47   8.321  11.285   4.385
  324   1HB   PRO  47          2HB       PRO  47   7.450  12.399   2.042
  325   2HB   PRO  47          1HB       PRO  47   8.913  12.939   2.885
  326   1HG   PRO  47          2HG       PRO  47   8.634  11.151   0.517
  327   2HG   PRO  47          1HG       PRO  47   9.838  12.403   0.845
  328   1HD   PRO  47          2HD       PRO  47  10.305   9.730   1.160
  329   2HD   PRO  47          1HD       PRO  47  11.148  10.990   2.086
  330    HA   PRO  48           HA       PRO  48   4.788   8.740   3.668
  331   1HB   PRO  48          1HB       PRO  48   2.764  10.461   4.328
  332   2HB   PRO  48          2HB       PRO  48   3.826   9.709   5.533
  333   1HG   PRO  48          2HG       PRO  48   3.906  12.454   4.377
  334   2HG   PRO  48          1HG       PRO  48   4.207  11.922   6.037
  335   1HD   PRO  48          1HD       PRO  48   6.187  12.540   4.260
  336   2HD   PRO  48          2HD       PRO  48   6.393  11.397   5.603
  337    HA   PRO  49           HA       PRO  49   3.260   9.686  -0.357
  338   1HB   PRO  49          2HB       PRO  49   0.838   8.411  -0.360
  339   2HB   PRO  49          1HB       PRO  49   2.385   7.544  -0.438
  340   1HG   PRO  49          2HG       PRO  49   0.582   7.987   1.887
  341   2HG   PRO  49          1HG       PRO  49   1.519   6.554   1.442
  342   1HD   PRO  49          2HD       PRO  49   2.281   8.326   3.378
  343   2HD   PRO  49          1HD       PRO  49   3.426   7.342   2.442
  344    HA   PRO  50           HA       PRO  50   0.689  13.243   0.158
  345   1HB   PRO  50          2HB       PRO  50  -0.053  13.658  -2.444
  346   2HB   PRO  50          1HB       PRO  50   1.571  14.030  -1.829
  347   1HG   PRO  50          2HG       PRO  50   0.633  11.680  -3.394
  348   2HG   PRO  50          1HG       PRO  50   2.152  12.582  -3.514
  349   1HD   PRO  50          1HD       PRO  50   1.928  10.176  -2.251
  350   2HD   PRO  50          2HD       PRO  50   3.140  11.401  -1.824
  351    H    TYR  51           H        TYR  51  -1.381  13.216   0.944
  352    HA   TYR  51           HA       TYR  51  -3.655  12.337  -0.603
  353   1HB   TYR  51          2HB       TYR  51  -2.322  10.218   0.154
  354   2HB   TYR  51          1HB       TYR  51  -3.016  10.551   1.739
  355    HD1  TYR  51           1HD      TYR  51  -4.769   9.051   2.122
  356    HD2  TYR  51           2HD      TYR  51  -4.392  10.911  -1.732
  357    HE1  TYR  51           1HE      TYR  51  -6.902   8.004   1.409
  358    HE2  TYR  51           2HE      TYR  51  -6.525   9.865  -2.444
  359    HH   TYR  51           HH       TYR  51  -8.034   8.227  -1.918
  360    H    THR  52           H        THR  52  -5.606  12.005   1.111
  361    HA   THR  52           HA       THR  52  -6.047  14.444   2.442
  362    HB   THR  52           HB       THR  52  -7.839  13.101   3.613
  363    HG1  THR  52           1HG      THR  52  -7.702  11.005   3.621
  364   1HG2  THR  52          1HG2      THR  52  -8.134  12.023   0.943
  365   2HG2  THR  52          2HG2      THR  52  -7.506  13.671   0.880
  366   3HG2  THR  52          3HG2      THR  52  -9.024  13.336   1.716
  367    H    VAL  53           H        VAL  53  -6.414  14.595   4.920
  368    HA   VAL  53           HA       VAL  53  -3.957  13.586   6.278
  369    HB   VAL  53           HB       VAL  53  -4.374  16.007   6.206
  370   1HG1  VAL  53          1HG1      VAL  53  -6.523  16.445   7.898
  371   2HG1  VAL  53          2HG1      VAL  53  -7.075  15.098   6.901
  372   3HG1  VAL  53          3HG1      VAL  53  -6.558  16.604   6.142
  373   1HG2  VAL  53          1HG2      VAL  53  -4.333  16.456   8.647
  374   2HG2  VAL  53          2HG2      VAL  53  -3.290  15.101   8.216
  375   3HG2  VAL  53          3HG2      VAL  53  -4.867  14.801   8.948
  376    H    GLY  54           H        GLY  54  -4.204  12.809   8.533
  377   1HA   GLY  54          1HA       GLY  54  -6.802  12.183   9.628
  378   2HA   GLY  54          2HA       GLY  54  -6.076  10.759   8.882
  Start of MODEL   10
    1    H    PHE   5           H        PHE   5   6.316 -13.453   0.842
    2    HA   PHE   5           HA       PHE   5   4.731 -15.515  -0.578
    3   1HB   PHE   5          2HB       PHE   5   4.437 -12.544  -0.043
    4   2HB   PHE   5          1HB       PHE   5   3.259 -13.478  -0.965
    5    HD1  PHE   5           1HD      PHE   5   4.996 -13.311   2.337
    6    HD2  PHE   5           2HD      PHE   5   1.615 -14.779   0.130
    7    HE1  PHE   5           1HE      PHE   5   3.952 -14.082   4.449
    8    HE2  PHE   5           2HE      PHE   5   0.572 -15.550   2.241
    9    HZ   PHE   5           HZ       PHE   5   1.739 -15.202   4.402
   10    H    GLU   6           H        GLU   6   3.831 -14.327  -2.804
   11    HA   GLU   6           HA       GLU   6   6.298 -13.928  -4.445
   12   1HB   GLU   6          2HB       GLU   6   3.446 -14.727  -5.121
   13   2HB   GLU   6          1HB       GLU   6   4.764 -14.619  -6.291
   14   1HG   GLU   6          2HG       GLU   6   5.477 -16.213  -3.943
   15   2HG   GLU   6          1HG       GLU   6   4.096 -16.875  -4.818
   16    H    ILE   7           H        ILE   7   5.871 -12.429  -6.411
   17    HA   ILE   7           HA       ILE   7   3.888 -10.294  -6.031
   18    HB   ILE   7           HB       ILE   7   5.666  -9.846  -4.361
   19   1HG1  ILE   7          2HG1      ILE   7   6.424  -7.578  -5.718
   20   2HG1  ILE   7          1HG1      ILE   7   4.965  -8.045  -6.594
   21   1HG2  ILE   7          1HG2      ILE   7   7.331 -10.914  -6.186
   22   2HG2  ILE   7          2HG2      ILE   7   7.887  -9.846  -4.898
   23   3HG2  ILE   7          3HG2      ILE   7   7.601  -9.203  -6.516
   24   1HD1  ILE   7          1HD1      ILE   7   5.274  -7.304  -3.703
   25   2HD1  ILE   7          2HD1      ILE   7   3.964  -8.381  -4.190
   26   3HD1  ILE   7          3HD1      ILE   7   4.072  -6.758  -4.869
   27    HA   PRO   8           HA       PRO   8   5.997 -11.098 -10.283
   28   1HB   PRO   8          1HB       PRO   8   3.785 -12.227 -11.480
   29   2HB   PRO   8          2HB       PRO   8   5.062 -13.172 -10.690
   30   1HG   PRO   8          2HG       PRO   8   2.421 -12.264  -9.585
   31   2HG   PRO   8          1HG       PRO   8   3.177 -13.866  -9.496
   32   1HD   PRO   8          1HD       PRO   8   3.328 -12.201  -7.410
   33   2HD   PRO   8          2HD       PRO   8   4.720 -13.195  -7.885
   34    H    ASP   9           H        ASP   9   2.520 -10.828 -10.860
   35    HA   ASP   9           HA       ASP   9   2.828  -7.886 -11.304
   36   1HB   ASP   9          1HB       ASP   9   1.623  -8.246 -13.474
   37   2HB   ASP   9          2HB       ASP   9   3.193  -9.048 -13.422
   38    H    ASP  10           H        ASP  10   0.590 -10.656 -11.036
   39    HA   ASP  10           HA       ASP  10  -1.674  -8.847 -10.427
   40   1HB   ASP  10          1HB       ASP  10  -1.369 -11.859 -10.662
   41   2HB   ASP  10          2HB       ASP  10  -2.907 -11.028 -10.429
   42    H    VAL  11           H        VAL  11   0.171  -8.475  -8.453
   43    HA   VAL  11           HA       VAL  11   0.278 -10.213  -6.246
   44    HB   VAL  11           HB       VAL  11   0.079  -7.187  -6.389
   45   1HG1  VAL  11          1HG1      VAL  11  -0.333  -8.221  -4.104
   46   2HG1  VAL  11          2HG1      VAL  11   1.053  -7.133  -4.191
   47   3HG1  VAL  11          3HG1      VAL  11   1.301  -8.879  -4.194
   48   1HG2  VAL  11          1HG2      VAL  11   1.991  -7.654  -7.594
   49   2HG2  VAL  11          2HG2      VAL  11   2.251  -9.197  -6.782
   50   3HG2  VAL  11          3HG2      VAL  11   2.672  -7.691  -5.967
   51    HA   PRO  12           HA       PRO  12  -3.914 -10.304  -4.839
   52   1HB   PRO  12          2HB       PRO  12  -3.489 -11.127  -2.263
   53   2HB   PRO  12          1HB       PRO  12  -3.355 -12.213  -3.660
   54   1HG   PRO  12          2HG       PRO  12  -1.214 -10.850  -2.099
   55   2HG   PRO  12          1HG       PRO  12  -1.243 -12.479  -2.786
   56   1HD   PRO  12          1HD       PRO  12   0.074 -10.371  -3.926
   57   2HD   PRO  12          2HD       PRO  12  -0.552 -11.755  -4.847
   58    H    LEU  13           H        LEU  13  -3.374  -7.734  -4.996
   59    HA   LEU  13           HA       LEU  13  -2.853  -6.165  -2.716
   60   1HB   LEU  13          2HB       LEU  13  -4.686  -5.770  -5.099
   61   2HB   LEU  13          1HB       LEU  13  -4.248  -4.474  -3.984
   62    HG   LEU  13           HG       LEU  13  -2.043  -6.125  -5.138
   63   1HD1  LEU  13          1HD2      LEU  13  -3.278  -5.703  -7.148
   64   2HD1  LEU  13          2HD2      LEU  13  -1.999  -4.490  -7.094
   65   3HD1  LEU  13          3HD2      LEU  13  -3.648  -4.052  -6.651
   66   1HD2  LEU  13          1HD1      LEU  13  -1.427  -4.446  -3.555
   67   2HD2  LEU  13          2HD1      LEU  13  -2.458  -3.243  -4.325
   68   3HD2  LEU  13          3HD1      LEU  13  -0.996  -3.801  -5.138
   69    HA   PRO  14           HA       PRO  14  -6.300  -6.898  -0.087
   70   1HB   PRO  14          2HB       PRO  14  -6.440  -4.517   1.233
   71   2HB   PRO  14          1HB       PRO  14  -5.199  -5.740   1.560
   72   1HG   PRO  14          1HG       PRO  14  -5.025  -3.258  -0.095
   73   2HG   PRO  14          2HG       PRO  14  -3.847  -3.938   1.036
   74   1HD   PRO  14          2HD       PRO  14  -3.614  -4.206  -1.652
   75   2HD   PRO  14          1HD       PRO  14  -3.046  -5.450  -0.512
   76    H    ALA  15           H        ALA  15  -8.446  -6.835  -0.418
   77    HA   ALA  15           HA       ALA  15 -10.466  -6.290  -1.596
   78   1HB   ALA  15          1HB       ALA  15 -10.284  -3.588  -0.469
   79   2HB   ALA  15          2HB       ALA  15  -9.820  -4.855   0.666
   80   3HB   ALA  15          3HB       ALA  15 -11.412  -4.890  -0.092
   81    H    GLY  16           H        GLY  16 -11.298  -3.584  -2.204
   82   1HA   GLY  16          1HA       GLY  16 -10.104  -3.317  -4.876
   83   2HA   GLY  16          2HA       GLY  16 -11.469  -2.387  -4.249
   84    H    TRP  17           H        TRP  17  -8.085  -2.868  -3.235
   85    HA   TRP  17           HA       TRP  17  -7.849  -0.108  -2.316
   86   1HB   TRP  17          2HB       TRP  17  -6.264  -2.621  -2.419
   87   2HB   TRP  17          1HB       TRP  17  -5.352  -1.126  -2.291
   88    HD1  TRP  17           HD       TRP  17  -8.515  -2.556  -0.517
   89    HE1  TRP  17           1HE      TRP  17  -8.292  -1.999   1.997
   90    HE3  TRP  17           3HE      TRP  17  -4.073  -0.123  -0.575
   91    HZ2  TRP  17           2HZ      TRP  17  -6.419  -0.694   3.754
   92    HZ3  TRP  17           3HZ      TRP  17  -3.058   0.755   1.492
   93    HH2  TRP  17           HH       TRP  17  -4.229   0.477   3.671
   94    H    GLU  18           H        GLU  18  -6.260   1.392  -3.142
   95    HA   GLU  18           HA       GLU  18  -5.600   1.027  -6.049
   96   1HB   GLU  18          2HB       GLU  18  -7.197   2.923  -4.991
   97   2HB   GLU  18          1HB       GLU  18  -5.637   3.703  -4.703
   98   1HG   GLU  18          1HG       GLU  18  -6.063   4.478  -6.838
   99   2HG   GLU  18          2HG       GLU  18  -5.213   2.984  -7.231
  100    H    MET  19           H        MET  19  -3.372   1.260  -6.550
  101    HA   MET  19           HA       MET  19  -1.650   2.054  -4.246
  102   1HB   MET  19          2HB       MET  19  -0.042   0.400  -5.061
  103   2HB   MET  19          1HB       MET  19  -1.586  -0.327  -4.649
  104   1HG   MET  19          1HG       MET  19  -1.819   0.403  -7.353
  105   2HG   MET  19          2HG       MET  19  -0.200  -0.280  -7.191
  106   1HE   MET  19          1HE       MET  19  -3.789  -0.587  -6.107
  107   2HE   MET  19          2HE       MET  19  -3.146  -1.456  -4.718
  108   3HE   MET  19          3HE       MET  19  -4.108  -2.314  -5.915
  109    H    ALA  20           H        ALA  20  -0.360   3.733  -4.624
  110    HA   ALA  20           HA       ALA  20   0.209   4.507  -7.464
  111   1HB   ALA  20          1HB       ALA  20  -1.017   5.832  -5.173
  112   2HB   ALA  20          2HB       ALA  20  -1.015   6.320  -6.865
  113   3HB   ALA  20          3HB       ALA  20   0.330   6.768  -5.818
  114    H    LYS  21           H        LYS  21   2.099   6.396  -7.138
  115    HA   LYS  21           HA       LYS  21   4.261   5.057  -5.542
  116   1HB   LYS  21          1HB       LYS  21   3.972   5.748  -8.337
  117   2HB   LYS  21          2HB       LYS  21   5.358   6.596  -7.650
  118   1HG   LYS  21          2HG       LYS  21   6.510   4.651  -7.227
  119   2HG   LYS  21          1HG       LYS  21   5.041   3.726  -6.916
  120   1HD   LYS  21          1HD       LYS  21   5.014   2.972  -9.037
  121   2HD   LYS  21          2HD       LYS  21   5.067   4.621  -9.661
  122   1HE   LYS  21          1HE       LYS  21   7.429   4.640  -9.746
  123   2HE   LYS  21          2HE       LYS  21   7.568   3.282  -8.612
  124   1HZ   LYS  21          1HZ       LYS  21   7.809   2.783 -11.103
  125   2HZ   LYS  21          2HZ       LYS  21   6.126   3.003 -11.181
  126   3HZ   LYS  21          3HZ       LYS  21   6.782   1.783 -10.197
  127    H    THR  22           H        THR  22   5.589   6.425  -4.312
  128    HA   THR  22           HA       THR  22   4.544   9.041  -3.606
  129    HB   THR  22           HB       THR  22   6.454   9.019  -2.066
  130    HG1  THR  22           1HG      THR  22   8.082   7.569  -2.315
  131   1HG2  THR  22          1HG2      THR  22   5.835   6.140  -2.007
  132   2HG2  THR  22          2HG2      THR  22   4.416   7.182  -2.111
  133   3HG2  THR  22          3HG2      THR  22   5.559   7.378  -0.781
  134    H    SER  23           H        SER  23   5.325  11.065  -4.234
  135    HA   SER  23           HA       SER  23   6.766  11.304  -6.716
  136   1HB   SER  23          1HB       SER  23   6.700  13.741  -6.063
  137   2HB   SER  23          2HB       SER  23   5.132  12.939  -5.972
  138    HG   SER  23           HG       SER  23   5.178  13.027  -3.847
  139    H    ESD  24           H        ESD  24   8.950  11.764  -7.076
  140   1HG   ESD  24          1HG       ESD  24  10.101  10.167  -4.497
  141   2HG   ESD  24          2HG       ESD  24  11.819  10.564  -4.488
  142   2HD   ESD  24          2HD       ESD  24  10.772  12.634  -4.998
  143   1HD   ESD  24          1HD       ESD  24  11.243  12.015  -6.593
  144   2HA   ESD  24          2HA       ESD  24   9.205   7.901  -6.666
  145   1HA   ESD  24          1HA       ESD  24   9.662   8.260  -4.964
  146    H    GLY  25           H        GLY  25   9.649   5.574  -6.388
  147   1HA   GLY  25          2HA       GLY  25  10.714   3.585  -5.634
  148   2HA   GLY  25          1HA       GLY  25  11.701   4.561  -4.544
  149    H    GLN  26           H        GLN  26  10.664   2.296  -3.476
  150    HA   GLN  26           HA       GLN  26   9.307   1.492  -1.712
  151   1HB   GLN  26          2HB       GLN  26  10.424   3.804  -1.000
  152   2HB   GLN  26          1HB       GLN  26   8.747   4.348  -1.001
  153   1HG   GLN  26          2HG       GLN  26   8.833   3.554   1.156
  154   2HG   GLN  26          1HG       GLN  26   8.435   2.039   0.343
  155   1HE2  GLN  26          1HE2      GLN  26  11.134   1.778  -0.899
  156   2HE2  GLN  26          2HE2      GLN  26  12.188   1.349   0.361
  157    H    ARG  27           H        ARG  27   7.736   1.014  -3.625
  158    HA   ARG  27           HA       ARG  27   5.480   2.734  -4.119
  159   1HB   ARG  27          2HB       ARG  27   4.583   0.677  -5.174
  160   2HB   ARG  27          1HB       ARG  27   6.273   0.931  -5.610
  161   1HG   ARG  27          2HG       ARG  27   6.589  -0.540  -3.354
  162   2HG   ARG  27          1HG       ARG  27   5.049  -1.185  -3.925
  163   1HD   ARG  27          2HD       ARG  27   6.556  -1.063  -6.252
  164   2HD   ARG  27          1HD       ARG  27   7.741  -1.565  -5.031
  165    HE   ARG  27           HE       ARG  27   5.428  -3.119  -5.912
  166   1HH1  ARG  27          1HH2      ARG  27   7.613  -2.451  -3.287
  167   2HH1  ARG  27          2HH2      ARG  27   7.365  -3.993  -2.543
  168   1HH2  ARG  27          1HH1      ARG  27   5.123  -5.114  -4.929
  169   2HH2  ARG  27          2HH1      ARG  27   5.968  -5.491  -3.465
  170    H    TYR  28           H        TYR  28   3.167   1.790  -3.617
  171    HA   TYR  28           HA       TYR  28   2.833   0.300  -1.132
  172   1HB   TYR  28          2HB       TYR  28   2.028   2.231   0.188
  173   2HB   TYR  28          1HB       TYR  28   3.689   2.504  -0.339
  174    HD1  TYR  28           1HD      TYR  28   0.405   3.880  -0.241
  175    HD2  TYR  28           2HD      TYR  28   3.962   3.762  -2.645
  176    HE1  TYR  28           1HE      TYR  28  -0.294   5.962  -1.385
  177    HE2  TYR  28           2HE      TYR  28   3.260   5.843  -3.786
  178    HH   TYR  28           HH       TYR  28   1.691   7.879  -3.088
  179    H    PHE  29           H        PHE  29   0.428   0.506  -0.422
  180    HA   PHE  29           HA       PHE  29  -1.205   0.528  -2.910
  181   1HB   PHE  29          1HB       PHE  29  -1.625  -0.727  -0.183
  182   2HB   PHE  29          2HB       PHE  29  -2.702  -0.923  -1.560
  183    HD1  PHE  29           1HD      PHE  29  -0.044  -0.817  -3.475
  184    HD2  PHE  29           2HD      PHE  29  -1.403  -3.249  -0.206
  185    HE1  PHE  29           1HE      PHE  29   1.378  -2.653  -4.281
  186    HE2  PHE  29           2HE      PHE  29   0.034  -5.096  -1.015
  187    HZ   PHE  29           HZ       PHE  29   1.420  -4.814  -3.048
  188    H    LEU  30           H        LEU  30  -1.151   2.900  -2.702
  189    HA   LEU  30           HA       LEU  30  -2.190   4.616  -0.836
  190   1HB   LEU  30          1HB       LEU  30  -1.346   5.207  -3.031
  191   2HB   LEU  30          2HB       LEU  30  -2.672   4.354  -3.819
  192    HG   LEU  30           HG       LEU  30  -4.060   6.089  -2.223
  193   1HD1  LEU  30          1HD2      LEU  30  -2.038   7.146  -1.347
  194   2HD1  LEU  30          2HD2      LEU  30  -2.894   8.289  -2.383
  195   3HD1  LEU  30          3HD2      LEU  30  -1.462   7.453  -2.985
  196   1HD2  LEU  30          1HD1      LEU  30  -3.967   5.672  -4.820
  197   2HD2  LEU  30          2HD1      LEU  30  -2.965   7.122  -4.820
  198   3HD2  LEU  30          3HD1      LEU  30  -4.615   7.192  -4.202
  199    H    ASN  31           H        ASN  31  -3.854   3.426   0.447
  200    HA   ASN  31           HA       ASN  31  -6.210   2.261  -0.599
  201   1HB   ASN  31          1HB       ASN  31  -5.073   2.414   1.793
  202   2HB   ASN  31          2HB       ASN  31  -6.212   3.742   2.001
  203   1HD2  ASN  31          1HD2      ASN  31  -7.177   2.146   3.667
  204   2HD2  ASN  31          2HD2      ASN  31  -8.294   1.003   3.093
  205    H    HIS  32           H        HIS  32  -8.136   3.090  -1.270
  206    HA   HIS  32           HA       HIS  32  -8.611   6.035  -0.959
  207   1HB   HIS  32          1HB       HIS  32  -7.845   5.225  -3.251
  208   2HB   HIS  32          2HB       HIS  32  -9.341   4.295  -3.336
  209    HD1  HIS  32           1HD      HIS  32 -10.961   5.540  -4.759
  210    HD2  HIS  32           2HD      HIS  32  -8.782   8.120  -2.314
  211    HE1  HIS  32           1HE      HIS  32 -11.872   7.866  -5.179
  212    H    ILE  33           H        ILE  33  -9.552   3.416   0.418
  213    HA   ILE  33           HA       ILE  33 -12.503   3.837   0.048
  214    HB   ILE  33           HB       ILE  33 -11.654   1.356   1.394
  215   1HG1  ILE  33          2HG1      ILE  33 -10.983   1.579  -1.556
  216   2HG1  ILE  33          1HG1      ILE  33  -9.768   1.625  -0.279
  217   1HG2  ILE  33          1HG2      ILE  33 -13.533   0.561   0.400
  218   2HG2  ILE  33          2HG2      ILE  33 -13.141   1.283  -1.159
  219   3HG2  ILE  33          3HG2      ILE  33 -13.869   2.267   0.111
  220   1HD1  ILE  33          1HD1      ILE  33 -10.037  -0.596   0.255
  221   2HD1  ILE  33          2HD1      ILE  33 -10.487  -0.672  -1.450
  222   3HD1  ILE  33          3HD1      ILE  33 -11.738  -0.610  -0.208
  223    H    ASP  34           H        ASP  34 -10.125   2.648   2.420
  224    HA   ASP  34           HA       ASP  34 -11.810   3.627   4.654
  225   1HB   ASP  34          1HB       ASP  34 -10.850   1.402   4.772
  226   2HB   ASP  34          2HB       ASP  34  -9.239   2.034   4.440
  227    H    GLN  35           H        GLN  35  -8.280   3.846   3.984
  228    HA   GLN  35           HA       GLN  35  -8.422   6.726   4.777
  229   1HB   GLN  35          2HB       GLN  35  -6.707   4.489   5.861
  230   2HB   GLN  35          1HB       GLN  35  -6.241   6.178   6.052
  231   1HG   GLN  35          2HG       GLN  35  -9.029   5.838   6.734
  232   2HG   GLN  35          1HG       GLN  35  -8.039   4.713   7.664
  233   1HE2  GLN  35          1HE2      GLN  35  -7.498   5.654   9.635
  234   2HE2  GLN  35          2HE2      GLN  35  -7.072   7.281   9.858
  235    H    THR  36           H        THR  36  -5.203   5.598   4.499
  236    HA   THR  36           HA       THR  36  -5.072   5.915   1.570
  237    HB   THR  36           HB       THR  36  -3.409   7.838   1.960
  238    HG1  THR  36           1HG      THR  36  -3.353   8.714   3.906
  239   1HG2  THR  36          1HG2      THR  36  -5.118   9.408   1.703
  240   2HG2  THR  36          2HG2      THR  36  -6.181   8.583   2.845
  241   3HG2  THR  36          3HG2      THR  36  -5.926   7.913   1.233
  242    H    THR  37           H        THR  37  -3.074   5.283   0.724
  243    HA   THR  37           HA       THR  37  -1.296   3.713   0.624
  244    HB   THR  37           HB       THR  37   0.653   4.707   1.567
  245    HG1  THR  37           1HG      THR  37   0.381   4.960   3.651
  246   1HG2  THR  37          1HG2      THR  37  -0.733   7.266   1.634
  247   2HG2  THR  37          2HG2      THR  37  -1.269   6.276   0.276
  248   3HG2  THR  37          3HG2      THR  37   0.441   6.659   0.466
  249    H    THR  38           H        THR  38   0.527   2.966   2.678
  250    HA   THR  38           HA       THR  38  -1.131   1.617   4.752
  251    HB   THR  38           HB       THR  38   0.358  -0.476   3.965
  252    HG1  THR  38           1HG      THR  38   0.661  -0.438   1.772
  253   1HG2  THR  38          1HG2      THR  38  -1.819  -1.076   3.851
  254   2HG2  THR  38          2HG2      THR  38  -1.707  -0.645   2.144
  255   3HG2  THR  38          3HG2      THR  38  -2.320   0.527   3.311
  256    H    TRP  39           H        TRP  39   2.189   1.710   3.388
  257    HA   TRP  39           HA       TRP  39   4.276   1.914   4.477
  258   1HB   TRP  39          1HB       TRP  39   2.385   3.811   5.482
  259   2HB   TRP  39          2HB       TRP  39   3.385   3.279   6.833
  260    HD1  TRP  39           HD       TRP  39   5.099   5.163   7.092
  261    HE1  TRP  39           1HE      TRP  39   6.821   6.289   5.539
  262    HE3  TRP  39           3HE      TRP  39   3.773   3.056   2.633
  263    HZ2  TRP  39           2HZ      TRP  39   7.539   6.297   2.770
  264    HZ3  TRP  39           3HZ      TRP  39   4.991   3.640   0.557
  265    HH2  TRP  39           HH       TRP  39   6.871   5.256   0.618
  266    H    GLN  40           H        GLN  40   2.354  -0.351   5.220
  267    HA   GLN  40           HA       GLN  40   3.867  -1.246   7.614
  268   1HB   GLN  40          1HB       GLN  40   1.746  -1.770   8.782
  269   2HB   GLN  40          2HB       GLN  40   1.866  -0.046   8.430
  270   1HG   GLN  40          1HG       GLN  40   0.348  -0.208   6.605
  271   2HG   GLN  40          2HG       GLN  40   0.472  -1.967   6.558
  272   1HE2  GLN  40          1HE2      GLN  40  -0.077   0.252   9.348
  273   2HE2  GLN  40          2HE2      GLN  40  -1.535  -0.472   9.828
  274    H    ASP  41           H        ASP  41   3.275  -1.957   4.611
  275    HA   ASP  41           HA       ASP  41   3.020  -3.943   3.354
  276   1HB   ASP  41          2HB       ASP  41   4.790  -4.283   5.405
  277   2HB   ASP  41          1HB       ASP  41   3.646  -5.584   5.740
  278    HA   PRO  42           HA       PRO  42  -1.115  -4.803   5.212
  279   1HB   PRO  42          1HB       PRO  42  -2.500  -4.597   2.860
  280   2HB   PRO  42          2HB       PRO  42  -2.125  -3.200   3.886
  281   1HG   PRO  42          2HG       PRO  42  -0.780  -4.149   1.403
  282   2HG   PRO  42          1HG       PRO  42  -1.138  -2.498   1.929
  283   1HD   PRO  42          2HD       PRO  42   1.328  -3.651   2.136
  284   2HD   PRO  42          1HD       PRO  42   0.749  -2.373   3.224
  285    H    ARG  43           H        ARG  43   0.582  -6.072   2.401
  286    HA   ARG  43           HA       ARG  43  -0.248  -8.810   3.103
  287   1HB   ARG  43          2HB       ARG  43  -1.982  -7.507   1.576
  288   2HB   ARG  43          1HB       ARG  43  -0.830  -7.905   0.303
  289   1HG   ARG  43          1HG       ARG  43  -1.301 -10.142   0.397
  290   2HG   ARG  43          2HG       ARG  43  -1.531 -10.124   2.145
  291   1HD   ARG  43          2HD       ARG  43  -3.536  -8.740   0.368
  292   2HD   ARG  43          1HD       ARG  43  -3.629 -10.494   0.615
  293    HE   ARG  43           HE       ARG  43  -3.220  -9.245   3.149
  294   1HH1  ARG  43          1HH2      ARG  43  -5.631  -9.528   0.654
  295   2HH1  ARG  43          2HH2      ARG  43  -6.950  -9.318   1.753
  296   1HH2  ARG  43          1HH1      ARG  43  -4.948  -8.976   4.555
  297   2HH2  ARG  43          2HH1      ARG  43  -6.569  -9.008   3.945
  298    H    LYS  44           H        LYS  44   1.251  -6.780   0.559
  299    HA   LYS  44           HA       LYS  44   3.784  -8.209   0.771
  300   1HB   LYS  44          2HB       LYS  44   1.812  -9.467  -0.666
  301   2HB   LYS  44          1HB       LYS  44   2.635  -8.549  -1.929
  302   1HG   LYS  44          1HG       LYS  44   3.969 -10.431   0.044
  303   2HG   LYS  44          2HG       LYS  44   3.658 -10.779  -1.658
  304   1HD   LYS  44          1HD       LYS  44   4.978  -8.520  -2.036
  305   2HD   LYS  44          2HD       LYS  44   5.634  -8.878  -0.438
  306   1HE   LYS  44          2HE       LYS  44   5.588 -11.165  -2.336
  307   2HE   LYS  44          1HE       LYS  44   6.726  -9.862  -2.723
  308   1HZ   LYS  44          1HZ       LYS  44   6.451 -11.265  -0.112
  309   2HZ   LYS  44          2HZ       LYS  44   7.454  -9.921  -0.380
  310   3HZ   LYS  44          3HZ       LYS  44   7.760 -11.387  -1.183
  311   1HN   NH2  45          1HN       NH2  45   5.432  -6.893  -0.163
  312   2HN   NH2  45          2HN       NH2  45   5.123  -5.508  -1.093
  313    H    GLY  45           H        GLY  45  15.135  10.146   8.170
  314   1HA   GLY  45          2HA       GLY  45  12.756  10.512   8.798
  315   2HA   GLY  45          1HA       GLY  45  13.076  11.410   7.312
  316    H    THR  46           H        THR  46  10.543  10.162   8.221
  317    HA   THR  46           HA       THR  46  10.173   8.123   6.054
  318    HB   THR  46           HB       THR  46   8.321   7.330   7.461
  319    HG1  THR  46           1HG      THR  46   9.083   9.373   9.266
  320   1HG2  THR  46          1HG2      THR  46  10.635   6.558   7.954
  321   2HG2  THR  46          2HG2      THR  46   9.613   6.581   9.392
  322   3HG2  THR  46          3HG2      THR  46  10.795   7.865   9.128
  323    HA   PRO  47           HA       PRO  47   7.863  11.722   4.479
  324   1HB   PRO  47          2HB       PRO  47   7.923  10.924   1.861
  325   2HB   PRO  47          1HB       PRO  47   9.257  11.796   2.640
  326   1HG   PRO  47          1HG       PRO  47   8.962   8.885   2.069
  327   2HG   PRO  47          2HG       PRO  47  10.394   9.917   1.949
  328   1HD   PRO  47          2HD       PRO  47   9.922   8.214   4.033
  329   2HD   PRO  47          1HD       PRO  47  10.888   9.696   4.177
  330    HA   PRO  48           HA       PRO  48   4.241   9.000   4.597
  331   1HB   PRO  48          2HB       PRO  48   2.435  10.968   5.184
  332   2HB   PRO  48          1HB       PRO  48   3.462  10.199   6.409
  333   1HG   PRO  48          1HG       PRO  48   3.772  12.830   5.045
  334   2HG   PRO  48          2HG       PRO  48   4.093  12.389   6.728
  335   1HD   PRO  48          1HD       PRO  48   6.037  12.666   4.824
  336   2HD   PRO  48          2HD       PRO  48   6.195  11.624   6.252
  337    HA   PRO  49           HA       PRO  49   3.323  10.224   0.342
  338   1HB   PRO  49          2HB       PRO  49   2.020   7.919  -0.348
  339   2HB   PRO  49          1HB       PRO  49   3.790   8.054  -0.307
  340   1HG   PRO  49          2HG       PRO  49   1.938   6.860   1.694
  341   2HG   PRO  49          1HG       PRO  49   3.529   6.304   1.155
  342   1HD   PRO  49          2HD       PRO  49   3.108   7.630   3.503
  343   2HD   PRO  49          1HD       PRO  49   4.641   7.694   2.604
  344    HA   PRO  50           HA       PRO  50  -0.820  11.465   1.698
  345   1HB   PRO  50          2HB       PRO  50  -1.094  13.515  -0.094
  346   2HB   PRO  50          1HB       PRO  50  -0.184  13.672   1.421
  347   1HG   PRO  50          2HG       PRO  50   0.813  13.238  -1.348
  348   2HG   PRO  50          1HG       PRO  50   1.482  14.240  -0.050
  349   1HD   PRO  50          2HD       PRO  50   2.466  11.783  -0.721
  350   2HD   PRO  50          1HD       PRO  50   2.600  12.490   0.901
  351    H    TYR  51           H        TYR  51  -2.742  12.283  -0.070
  352    HA   TYR  51           HA       TYR  51  -3.518   9.887  -1.428
  353   1HB   TYR  51          1HB       TYR  51  -4.443  12.636  -0.998
  354   2HB   TYR  51          2HB       TYR  51  -4.934  11.991  -2.564
  355    HD1  TYR  51           1HD      TYR  51  -5.482   9.246  -2.246
  356    HD2  TYR  51           2HD      TYR  51  -6.109  12.394   0.609
  357    HE1  TYR  51           1HE      TYR  51  -7.237   7.891  -1.134
  358    HE2  TYR  51           2HE      TYR  51  -7.863  11.039   1.718
  359    HH   TYR  51           HH       TYR  51  -8.394   8.516   1.902
  360    H    THR  52           H        THR  52  -4.383  10.697  -3.950
  361    HA   THR  52           HA       THR  52  -1.805  11.257  -5.383
  362    HB   THR  52           HB       THR  52  -2.601   8.912  -5.504
  363    HG1  THR  52           1HG      THR  52  -2.963  10.385  -7.900
  364   1HG2  THR  52          1HG2      THR  52  -5.128  10.176  -5.682
  365   2HG2  THR  52          2HG2      THR  52  -4.790   8.445  -5.683
  366   3HG2  THR  52          3HG2      THR  52  -4.882   9.327  -7.207
  367    H    VAL  53           H        VAL  53  -1.970  12.578  -7.269
  368    HA   VAL  53           HA       VAL  53  -4.627  13.672  -8.012
  369    HB   VAL  53           HB       VAL  53  -3.805  15.985  -7.598
  370   1HG1  VAL  53          1HG2      VAL  53  -3.443  14.333  -5.092
  371   2HG1  VAL  53          2HG2      VAL  53  -5.022  14.554  -5.845
  372   3HG1  VAL  53          3HG2      VAL  53  -4.130  15.950  -5.240
  373   1HG2  VAL  53          1HG1      VAL  53  -1.311  14.775  -7.572
  374   2HG2  VAL  53          2HG1      VAL  53  -1.593  15.139  -5.869
  375   3HG2  VAL  53          3HG1      VAL  53  -1.648  16.431  -7.069
  376    H    GLY  54           H        GLY  54  -2.365  12.098  -9.282
  377   1HA   GLY  54          1HA       GLY  54  -2.382  12.717 -11.876
  378   2HA   GLY  54          2HA       GLY  54  -1.346  14.019 -11.294