*HEADER    TRANSFERASE                             17-JUN-05   1VRV              
*TITLE     STRUCTURE OF PHOSPHORYLATED IIB (C384(SEP)) DOMAIN OF THE             
*TITLE    2 MANNITOL-SPECIFIC PERMEASE ENZYME II                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MANNITOL-SPECIFIC PTS SYSTEM ENZYME IIABC                  
*COMPND   3 COMPONENTS;                                                          
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 FRAGMENT: IIB DOMAIN;                                                
*COMPND   6 SYNONYM: IIBMTL PHOSPHOTRANSFERASE ENZYME II, B COMPONENT,           
*COMPND   7 EIIB-MTL;                                                            
*COMPND   8 ENGINEERED: YES;                                                     
*COMPND   9 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI O157:H7;                       
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA                                   
*KEYWDS    PHOSPHOTRANSFERASE, TRANSFERASE, KINASE, SUGAR TRANSPORT              
*EXPDTA    NMR, RESTRAINED REGULARIZED MEAN STRUCTURE                            
*AUTHOR    J.Y.SUH, C.TANG, M.CAI, G.M.CLORE                                     
*REVDAT   1   08-NOV-05 1VRV    0                                                



1. NOE-derived interproton distance restraints


assign (resid 20 and name HB#)(resid 20 and name HN) 4.0 2.2 1.5
assign (resid 22 and name HB#)(resid 22 and name HN) 3.0 1.2 0.5
assign (resid 24 and name HB#)(resid 24 and name HN) 4.0 2.2 1.0
assign (resid 24 and name HG#)(resid 24 and name HN) 3.0 1.2 0.5
assign (resid 27 and name HB#)(resid 27 and name HN) 4.0 2.2 1.0
assign (resid 28 and name HB#)(resid 28 and name HN) 2.5 0.7 0.4
assign (resid 29 and name HB#)(resid 29 and name HN) 3.0 1.2 0.5
assign (resid 29 and name HG#)(resid 29 and name HN) 3.0 1.2 0.5
assign (resid 19 and name HN)(resid 20 and name HN) 4.0 2.2 1.0
assign (resid 19 and name HA)(resid 20 and name HN) 2.5 0.7 0.4
assign (resid 19 and name HB#)(resid 20 and name HN) 2.5 0.7 0.9
assign (resid 20 and name HA)(resid 21 and name HN) 3.0 1.2 0.5
assign (resid 20 and name HB#)(resid 21 and name HN) 3.0 1.2 0.5
assign (resid 22 and name HB#)(resid 23 and name HN) 3.0 1.2 0.8
assign (resid 23 and name HA#)(resid 24 and name HN) 4.0 2.2 1.0
assign (resid 27 and name hn)(resid 28 and name hn) 3.0 1.2 0.5
assign (resid 27 and name HA)(resid 28 and name HN) 4.0 2.2 1.0
assign (resid 28 and name HB#)(resid 29 and name HG#) 3.0 1.2 0.8
assign (resid 28 and name HB#)(resid 29 and name HN) 2.5 0.7 0.4
assign (resid 28 and name hn)(resid 27 and name hn) 4.0 2.2 1.0
assign (resid 28 and name hn)(resid 29 and name hn) 3.0 1.2 0.5
assign (resid 28 and name HA)(resid 29 and name HN) 4.0 2.2 1.0
assign (resid 29 and name HA)(resid 30 and name HN) 3.0 1.2 0.5
assign (resid 29 and name HN)(resid 30 and name HN) 3.0 1.2 0.5
assign (resid 29 and name HB#)(resid 30 and name HN) 3.0 1.2 0.5
assign (resid 22 and name HB#)(resid 24 and name HN) 3.0 1.2 1.0
assign (resid 24 and name HA)(resid 28 and name HB#) 3.0 1.2 1.0
assign (resid 24 and name HB#)(resid 28 and name HB#) 4.0 2.2 2.0
assign (resid 24 and name ha)(resid 28 and name hn) 4.0 2.2 1.0
assign (resid 25 and name HA#)(resid 28 and name HB#) 4.0 2.2 1.0
assign (resid 25 and name ha#)(resid 28 and name hn) 4.0 2.2 1.0
assign (resid 26 and name HA)(resid 29 and name HB#) 3.0 1.2 0.8
assign (resid 26 and name ha)(resid 28 and name hn) 4.0 2.2 1.0
assign (resid 26 and name ha)(resid 29 and name hn) 4.0 2.2 1.0
assign (resid 26 and name ha)(resid 30 and name hn) 4.0 2.2 1.5
assign (resid 26 and name ha)(resid 28 and name hb#) 4.0 2.2 1.5
assign (resid 27 and name HA)(resid 30 and name HN) 4.0 2.2 1.0
assign (resid 27 and name ha)(resid 30 and name hn) 4.0 2.2 1.0
assign (resid 27 and name HA)(resid 31 and name HN) 4.0 2.2 1.0
assign (resid 28 and name HB#)(resid 31 and name HB#) 3.0 1.2 1.3
assign (resid 28 and name HA)(resid 31 and name HN) 3.0 1.2 1.0
assign (resid 28 and name HA)(resid 31 and name HB#) 3.0 1.2 0.8
assign (resid 28 and name hn)(resid 30 and name hn) 4.0 2.2 1.0
assign (resid 29 and name HA)(resid 32 and name HN) 3.0 1.2 0.5
assign (resid 29 and name HN)(resid 31 and name HN) 4.0 2.2 1.0
assign (resid 18 and name HG1#)(resid 27 and name HA) 3.0 1.2 0.8
assign (resid 18 and name HG1#)(resid 27 and name HA) 3.0 1.2 0.8
assign (resid 18 and name HG1#)(resid 27 and name HB#) 3.0 1.2 0.8
assign (resid 18 and name hb)(resid 27 and name hb#) 4.0 2.2 1.0
assign (resid 18 and name hb)(resid 27 and name ha) 4.0 2.2 1.0
assign (resid 20 and name HN)(resid 53 and name HG1#) 4.0 2.2 1.0
assign (resid 20 and name HB#)(resid 27 and name HB#) 3.0 1.2 0.3
assign (resid 20 and name HN)(resid 27 and name HB#) 4.0 2.2 1.0
assign (resid 20 and name HA)(resid 53 and name HD1#) 3.0 1.2 0.8
assign (resid 20 and name HA)(resid 69 and name HG) 4.0 2.2 1.5
assign (resid 20 and name HA)(resid 69 and name HD*) 3.0 1.2 1.3
assign (resid 20 and name HN)(resid 52 and name HB#) 4.0 2.2 1.5
assign (resid 20 and name HN)(resid 52 and name HA) 3.0 1.2 0.5
assign (resid 20 and name HA)(resid 53 and name HG1#) 4.0 2.2 2.0
assign (resid 20 and name HA)(resid 53 and name HG1#) 4.0 2.2 1.0
assign (resid 20 and name HN)(resid 51 and name HN) 4.0 2.2 1.0
assign (resid 20 and name HN)(resid 53 and name HN) 4.0 2.2 1.0
assign (resid 21 and name HA)(resid 53 and name HD1#) 3.0 1.2 0.8
assign (resid 21 and name HA)(resid 69 and name HD*) 3.0 1.2 1.3
assign (resid 21 and name HB#)(resid 53 and name HD1#) 3.0 1.2 1.3
assign (resid 21 and name HB#)(resid 69 and name HD1#) 3.0 1.2 1.3
assign (resid 21 and name HB#)(resid 69 and name HD2#) 3.0 1.2 1.3
assign (resid 21 and name HA)(resid 53 and name HD1#) 3.0 1.2 0.8
assign (resid 21 and name HA)(resid 53 and name HB) 4.0 2.2 1.0
assign (resid 21 and name HA)(resid 53 and name HG1#) 4.0 2.2 1.0
assign (resid 22 and name HA)(resid 52 and name HB#) 3.0 1.2 0.8
assign (resid 23 and name HA#)(resid 52 and name HA) 3.0 1.2 0.3
assign (resid 23 and name HA#)(resid 52 and name HB#) 3.0 1.2 0.8
assign (resid 23 and name HA#)(resid 51 and name HA) 3.0 1.2 0.8
assign (resid 23 and name HA#)(resid 52 and name HN) 4.0 2.2 1.0
assign (resid 24 and name HA)(resid 50 and name HD2#) 4.0 2.2 1.0
assign (resid 26 and name HB#)(resid 88 and name HB#) 4.0 2.2 1.0
assign (resid 26 and name HB#)(resid 88 and name HD#) 3.0 1.2 0.3
assign (resid 27 and name HA)(resid 50 and name HB#) 4.0 2.2 1.0
assign (resid 27 and name ha)(resid 50 and name hd2#) 4.0 2.2 2.0
assign (resid 28 and name HA)(resid 50 and name HB#) 4.0 2.2 1.0
assign (resid 28 and name HB#)(resid 50 and name HD2#) 4.0 2.2 1.0
assign (resid 28 and name HA)(resid 50 and name HD2#) 4.0 2.2 1.0

2. TORSION ANGLE RESTRAINTS


!Backbone

! A19 
assign (resid  18 and name c)  (resid  19 and name n)
       (resid  19 and name ca) (resid  19 and name c)  1.0 -120.0  30.0 2      
assign (resid  19 and name n)  (resid  19 and name ca)
       (resid  19 and name c) (resid  20 and name n)  1.0  140.0   30.0 2      

! S20 
assign (resid  19 and name c)  (resid  20 and name n)
       (resid  20 and name ca) (resid  20 and name c)  1.0  -145.0  15.0 2      
assign (resid  20 and name n)  (resid  20 and name ca)
       (resid  20 and name c) (resid  21 and name n)  1.0  160.0  40.0 2      

! D21 
assign (resid  20 and name c)  (resid  21 and name n)
       (resid  21 and name ca) (resid  21 and name c)  1.0  -60.0  20.0 2      
assign (resid  21 and name n)  (resid  21 and name ca)
       (resid  21 and name c) (resid  22 and name n)  1.0  -40.0   30.0 2      

! A22
assign (resid  21 and name c)  (resid  22 and name n)
       (resid  22 and name ca) (resid  22 and name c)  1.0  -100.0  20.0 2      
assign (resid  22 and name n)  (resid  22 and name ca)
       (resid  22 and name c) (resid  23 and name n)  1.0   -20.0  30.0 2      

! G23 Dihedrals
assign (resid  22 and name c)  (resid  23 and name n)
       (resid  23 and name ca) (resid  23 and name c)  1.0  65.0  40.0 2      
assign (resid  23 and name n)  (resid  23 and name ca)
       (resid  23 and name c) (resid  24 and name n)  1.0  30.0  50.0 2      


! G25 
assign (resid  24 and name c)  (resid  25 and name n)
       (resid  25 and name ca) (resid  25 and name c)  1.0 -90.0 80.0 2 


! S26 
assign (resid  25 and name c)  (resid  26 and name n)
       (resid  26 and name ca) (resid  26 and name c)  1.0  -70.0  25.0 2   
assign (resid  26 and name n)  (resid  26 and name ca)
       (resid  26 and name c) (resid  27 and name n)  1.0  -20.0 45.0 2 


! S27 
assign (resid  26 and name c)  (resid  27 and name n)
       (resid  27 and name ca) (resid  27 and name c)  1.0  -60.0  20.0 2      
assign (resid  27 and name n)  (resid  27 and name ca)
       (resid  27 and name c) (resid  28 and name n)  1.0  -40.0  20.0 2      

! A28 
assign (resid  27 and name c)  (resid  28 and name n)
       (resid  28 and name ca) (resid  28 and name c)  1.0  -60.0  20.0 2      
assign (resid  28 and name n)  (resid  28 and name ca)
       (resid  28 and name c) (resid  29 and name n)  1.0  -40.0   20.0 2      

! M29 
assign (resid  28 and name c)  (resid  29 and name n)
       (resid  29 and name ca) (resid  29 and name c)  1.0  -60.0   20.0 2      
assign (resid  29 and name n)  (resid  29 and name ca)
       (resid  29 and name c) (resid  30 and name n)  1.0  -40.0   20.0 2      


!Side-chains
!S20 
!chi1
assign (resid 20 and name N)  (resid 20 and name CA)
      (resid 20 and name CB) (resid 20 and name OG) 1.0   60.0 20.00  2

!S26
assign (resid 26 and name n) (resid 26 and name ca)
       (resid 26 and name cb) (resid 26 and name og) 1.0 60.0 20.0 2



3. Backbone H-bonds

assign (resid 49 and name O )(resid 18 and name HN  ) 2.0 0.5 0.3 
assign (resid 49 and name O )(resid 18 and name N  ) 3.0 0.5 0.3
assign (resid 18 and name O )(resid 51 and name HN  ) 2.0 0.5 0.3 
assign (resid 18 and name O )(resid 51 and name N  ) 3.0 0.5 0.3

assign (resid 20 and name o) (resid 53 and name n) 3.0 0.5 0.5
assign (resid 20 and name o) (resid 53 and name hn) 2.0 0.5 0.5



!helix 1

assign (resid 27 and name O )(resid 31 and name HN  ) 2.0 0.5 0.3
assign (resid 27 and name O )(resid 31 and name N  ) 3.0 0.5 0.3
assign (resid 28 and name O )(resid 32 and name HN  ) 2.0 0.5 0.5
assign (resid 28 and name O )(resid 32 and name N  ) 3.0 0.5 0.5
assign (resid 29 and name O )(resid 33 and name HN  ) 2.0 0.5 0.3 
assign (resid 29 and name O )(resid 33 and name N  ) 3.0 0.5 0.3

4. Backbone amide-phosphoryl H-bond (from 3JNP coupling)

assign (resid 200 and name o*p) (resid 27 and name n)  2.8 1.2 0.001
assign (resid 200 and name o*p) (resid 27 and name hn) 1.8 1.2 0.001



5. RDCs (NOTE N-C' AND HN-C' RDCs ARE NORMALIZED TO THE N-H RDCs)

!Phage pf1

!N-H
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 13   and name N   )
       ( resid 13   and name HN  )  -1.3100  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 14   and name N   )
       ( resid 14   and name HN  )  -0.3500  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 16   and name N   )
       ( resid 16   and name HN  )  5.9800  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 18   and name N   )
       ( resid 18   and name HN  )  8.9500  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 19   and name N   )
       ( resid 19   and name HN  )  4.6600  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 20   and name N   )
       ( resid 20   and name HN  )  13.5900  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 21   and name N   )
       ( resid 21   and name HN  )  14.0500  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 22   and name N   )
       ( resid 22   and name HN  )  13.0900  0.2000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 23   and name N   )
       ( resid 23   and name HN  )  13.0100  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 24   and name N   )
       ( resid 24   and name HN  )  2.4200  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 25   and name N   )
       ( resid 25   and name HN  )  4.1300  0.2000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 26   and name N   )
       ( resid 26   and name HN  )  -11.9400  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 27   and name N   )
       ( resid 27   and name HN  )  -17.3300  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 28   and name N   )
       ( resid 28   and name HN  )  -19.8500  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 29   and name N   )
       ( resid 29   and name HN  )  -14.2100  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 30   and name N   )
       ( resid 30   and name HN  )  -16.4900  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 31   and name N   )
       ( resid 31   and name HN  )  -22.8500  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 32   and name N   )
       ( resid 32   and name HN  )  -20.0900  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 33   and name N   )
       ( resid 33   and name HN  )  -14.6800  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 34   and name N   )
       ( resid 34   and name HN  )  -19.0500  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 35   and name N   )
       ( resid 35   and name HN  )  -21.5600  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 36   and name N   )
       ( resid 36   and name HN  )  -15.3400  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 37   and name N   )
       ( resid 37   and name HN  )  -16.8700  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 38   and name N   )
       ( resid 38   and name HN  )  -21.3800  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 39   and name N   )
       ( resid 39   and name HN  )  -18.9600  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 41   and name N   )
       ( resid 41   and name HN  )  -15.7800  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 42   and name N   )
       ( resid 42   and name HN  )  -12.0500  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 43   and name N   )
       ( resid 43   and name HN  )  0.6300  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 44   and name N   )
       ( resid 44   and name HN  )  -15.9500  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 45   and name N   )
       ( resid 45   and name HN  )  -4.7600  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 46   and name N   )
       ( resid 46   and name HN  )  3.9900  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 48   and name N   )
       ( resid 48   and name HN  )  6.3400  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 49   and name N   )
       ( resid 49   and name HN  )  6.8100  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 50   and name N   )
       ( resid 50   and name HN  )  9.0700  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 53   and name N   )
       ( resid 53   and name HN  )  4.8500  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 54   and name N   )
       ( resid 54   and name HN  )  -3.3500  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 55   and name N   )
       ( resid 55   and name HN  )  14.9100  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 56   and name N   )
       ( resid 56   and name HN  )  -0.1500  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 59   and name N   )
       ( resid 59   and name HN  )  -1.0000  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 60   and name N   )
       ( resid 60   and name HN  )  -15.4800  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 61   and name N   )
       ( resid 61   and name HN  )  1.6200  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 62   and name N   )
       ( resid 62   and name HN  )  7.7900  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 63   and name N   )
       ( resid 63   and name HN  )  5.5100  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 64   and name N   )
       ( resid 64   and name HN  )  8.8000  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 65   and name N   )
       ( resid 65   and name HN  )  -0.3400  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 66   and name N   )
       ( resid 66   and name HN  )  -1.9900  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 68   and name N   )
       ( resid 68   and name HN  )  7.9100  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 69   and name N   )
       ( resid 69   and name HN  )  -5.7600  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 70   and name N   )
       ( resid 70   and name HN  )  13.7800  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 71   and name N   )
       ( resid 71   and name HN  )  8.4600  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 73   and name N   )
       ( resid 73   and name HN  )  15.8900  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 74   and name N   )
       ( resid 74   and name HN  )  11.1200  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 75   and name N   )
       ( resid 75   and name HN  )  3.8700  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 76   and name N   )
       ( resid 76   and name HN  )  13.2400  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 77   and name N   )
       ( resid 77   and name HN  )  14.8200  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 79   and name N   )
       ( resid 79   and name HN  )  1.2500  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 80   and name N   )
       ( resid 80   and name HN  )  -20.0000  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 81   and name N   )
       ( resid 81   and name HN  )  5.6000  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 82   and name N   )
       ( resid 82   and name HN  )  3.7700  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 83   and name N   )
       ( resid 83   and name HN  )  4.6100  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 84   and name N   )
       ( resid 84   and name HN  )  -3.8100  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 85   and name N   )
       ( resid 85   and name HN  )  -4.5700  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 86   and name N   )
       ( resid 86   and name HN  )  -12.3000  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 89   and name N   )
       ( resid 89   and name HN  )  -0.2900  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 92   and name N   )
       ( resid 92   and name HN  )  -8.0600  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 93   and name N   )
       ( resid 93   and name HN  )  -13.6500  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 94   and name N   )
       ( resid 94   and name HN  )  -4.9900  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 95   and name N   )
       ( resid 95   and name HN  )  0.2000  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 96   and name N   )
       ( resid 96   and name HN  )  -10.6900  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 98   and name N   )
       ( resid 98   and name HN  )  0.2500  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 100  and name N   )
       ( resid 100  and name HN  )  -15.5100  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 102  and name N   )
       ( resid 102  and name HN  )  2.1200  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 103  and name N   )
       ( resid 103  and name HN  )  -6.7600  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 105  and name N   )
       ( resid 105  and name HN  )  4.5200  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 106  and name N   )
       ( resid 106  and name HN  )  2.9200  0.2000





!N-C'

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 12   and name C   )
       ( resid 13   and name N   )  7.8605  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 15   and name C   )
       ( resid 16   and name N   )  5.4210  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 17   and name C   )
       ( resid 18   and name N   )  -0.3614  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 18   and name C   )
       ( resid 19   and name N   )  -2.1684  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 19   and name C   )
       ( resid 20   and name N   )  -18.0701  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 20   and name C   )
       ( resid 21   and name N   )  -13.3719  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 21   and name C   )
       ( resid 22   and name N   )  5.5114  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 22   and name C   )
       ( resid 23   and name N   )  -9.5772  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 23   and name C   )
       ( resid 24   and name N   )  -0.5421  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 24   and name C   )
       ( resid 25   and name N   )  5.3307  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 25   and name C   )
       ( resid 26   and name N   )  9.3061  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 26   and name C   )
       ( resid 27   and name N   )  10.3903  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 27   and name C   )
       ( resid 28   and name N   )  -2.1684  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 28   and name C   )
       ( resid 29   and name N   )  9.3965  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 29   and name C   )
       ( resid 30   and name N   )  4.8789  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 31   and name C   )
       ( resid 32   and name N   )  0.9035  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 32   and name C   )
       ( resid 33   and name N   )  12.4684  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 33   and name C   )
       ( resid 34   and name N   )  5.6017  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 34   and name C   )
       ( resid 35   and name N   )  1.5360  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 35   and name C   )
       ( resid 36   and name N   )  8.0412  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 36   and name C   )
       ( resid 37   and name N   )  7.2280  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 38   and name C   )
       ( resid 39   and name N   )  -0.1807  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 41   and name C   )
       ( resid 42   and name N   )  7.4088  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 43   and name C   )
       ( resid 44   and name N   )  6.3245  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 44   and name C   )
       ( resid 45   and name N   )  -0.5421  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 48   and name C   )
       ( resid 49   and name N   )  -9.5772  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 49   and name C   )
       ( resid 50   and name N   )  -16.8956  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 50   and name C   )
       ( resid 51   and name N   )  -1.7167  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 52   and name C   )
       ( resid 53   and name N   )  5.6921  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 53   and name C   )
       ( resid 54   and name N   )  -20.6903  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 58   and name C   )
       ( resid 59   and name N   )  0.9939  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 59   and name C   )
       ( resid 60   and name N   )  -0.9035  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 61   and name C   )
       ( resid 62   and name N   )  3.1623  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 63   and name C   )
       ( resid 64   and name N   )  3.5237  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 64   and name C   )
       ( resid 65   and name N   )  2.8009  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 65   and name C   )
       ( resid 66   and name N   )  -17.1666  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 68   and name C   )
       ( resid 69   and name N   )  -0.6325  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 70   and name C   )
       ( resid 71   and name N   )  -5.0596  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 73   and name C   )
       ( resid 74   and name N   )  7.4088  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 75   and name C   )
       ( resid 76   and name N   )  5.3307  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 76   and name C   )
       ( resid 77   and name N   )  -6.0535  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 78   and name C   )
       ( resid 79   and name N   )  5.7824  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 79   and name C   )
       ( resid 80   and name N   )  -0.9939  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 80   and name C   )
       ( resid 81   and name N   )  -2.9816  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 82   and name C   )
       ( resid 83   and name N   )  4.8789  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 84   and name C   )
       ( resid 85   and name N   )  -9.3061  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 85   and name C   )
       ( resid 86   and name N   )  10.3903  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 88   and name C   )
       ( resid 89   and name N   )  12.3780  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 89   and name C   )
       ( resid 90   and name N   )  3.7947  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 92   and name C   )
       ( resid 93   and name N   )  -11.8359  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 93   and name C   )
       ( resid 94   and name N   )  1.8974  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 94   and name C   )
       ( resid 95   and name N   )  10.3903  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 95   and name C   )
       ( resid 96   and name N   )  4.3368  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 97   and name C   )
       ( resid 98   and name N   )  5.4210  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 99   and name C   )
       ( resid 100  and name N   )  -6.0535  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 101  and name C   )
       ( resid 102  and name N   )  8.3123  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 102  and name C   )
       ( resid 103  and name N   )  9.3061  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 104  and name C   )
       ( resid 105  and name N   )  3.0719  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 105  and name C   )
       ( resid 106  and name N   )  5.9631  0.2000


!HN-C'

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 12   and name C   )
       ( resid 13   and name HN  )  9.6049  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 15   and name C   )
       ( resid 16   and name HN  )  6.2614  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 17   and name C   )
       ( resid 18   and name HN  )  4.3161  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 18   and name C   )
       ( resid 19   and name HN  )  7.2644  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 19   and name C   )
       ( resid 20   and name HN  )  -7.0517  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 20   and name C   )
       ( resid 21   and name HN  )  -0.3040  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 21   and name C   )
       ( resid 22   and name HN  )  9.8176  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 22   and name C   )
       ( resid 23   and name HN  )  2.0061  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 23   and name C   )
       ( resid 24   and name HN  )  -0.8815  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 24   and name C   )
       ( resid 25   and name HN  )  3.7690  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 25   and name C   )
       ( resid 26   and name HN  )  5.9271  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 26   and name C   )
       ( resid 27   and name HN  )  -0.3343  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 27   and name C   )
       ( resid 28   and name HN  )  -11.7629  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 28   and name C   )
       ( resid 29   and name HN  )  -1.3678  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 29   and name C   )
       ( resid 30   and name HN  )  -3.0699  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 31   and name C   )
       ( resid 32   and name HN  )  -10.2432  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 32   and name C   )
       ( resid 33   and name HN  )  0.3040  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 33   and name C   )
       ( resid 34   and name HN  )  -3.9210  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 34   and name C   )
       ( resid 35   and name HN  )  -10.2432  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 35   and name C   )
       ( resid 36   and name HN  )  -1.2766  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 36   and name C   )
       ( resid 37   and name HN  )  -1.4894  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 38   and name C   )
       ( resid 39   and name HN  )  -10.6687  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 41   and name C   )
       ( resid 42   and name HN  )  -1.4894  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 43   and name C   )
       ( resid 44   and name HN  )  -6.4742  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 44   and name C   )
       ( resid 45   and name HN  )  2.0669  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 48   and name C   )
       ( resid 49   and name HN  )  2.0669  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 49   and name C   )
       ( resid 50   and name HN  )  -5.3191  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 50   and name C   )
       ( resid 51   and name HN  )  3.0091  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 52   and name C   )
       ( resid 53   and name HN  )  6.9301  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 53   and name C   )
       ( resid 54   and name HN  )  -11.3678  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 58   and name C   )
       ( resid 59   and name HN  )  6.8997  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 59   and name C   )
       ( resid 60   and name HN  )  -12.5228  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 61   and name C   )
       ( resid 62   and name HN  )  4.7720  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 63   and name C   )
       ( resid 64   and name HN  )  5.6839  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 64   and name C   )
       ( resid 65   and name HN  )  6.6261  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 65   and name C   )
       ( resid 66   and name HN  )  -7.7812  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 68   and name C   )
       ( resid 69   and name HN  )  -7.0213  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 70   and name C   )
       ( resid 71   and name HN  )  -0.3647  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 73   and name C   )
       ( resid 74   and name HN  )  11.1246  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 75   and name C   )
       ( resid 76   and name HN  )  8.6930  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 76   and name C   )
       ( resid 77   and name HN  )  6.8389  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 78   and name C   )
       ( resid 79   and name HN  )  9.9696  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 79   and name C   )
       ( resid 80   and name HN  )  -10.4559  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 80   and name C   )
       ( resid 81   and name HN  )  -2.3100  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 82   and name C   )
       ( resid 83   and name HN  )  3.3131  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 84   and name C   )
       ( resid 85   and name HN  )  -9.1185  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 85   and name C   )
       ( resid 86   and name HN  )  3.4346  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 88   and name C   )
       ( resid 89   and name HN  )  9.8176  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 89   and name C   )
       ( resid 90   and name HN  )  5.9574  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 93   and name C   )
       ( resid 94   and name HN  )  -3.9514  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 94   and name C   )
       ( resid 95   and name HN  )  11.7021  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 95   and name C   )
       ( resid 96   and name HN  )  -2.4316  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 97   and name C   )
       ( resid 98   and name HN  )  4.8328  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 99   and name C   )
       ( resid 100  and name HN  )  -13.4043  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 101  and name C   )
       ( resid 102  and name HN  )  8.9058  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 102  and name C   )
       ( resid 103  and name HN  )  4.3769  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 104  and name C   )
       ( resid 105  and name HN  )  5.0456  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 105  and name C   )
       ( resid 106  and name HN  )  8.7538  0.2000




!Neutral gel

!N-H
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 14   and name N   )
       ( resid 14   and name HN  )  -2.5600  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 16   and name N   )
       ( resid 16   and name HN  )  5.5200  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 18   and name N   )
       ( resid 18   and name HN  )  9.8400  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 19   and name N   )
       ( resid 19   and name HN  )  10.2600  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 20   and name N   )
       ( resid 20   and name HN  )  8.1000  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 21   and name N   )
       ( resid 21   and name HN  )  2.6100  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 22   and name N   )
       ( resid 22   and name HN  )  0.6300  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 23   and name N   )
       ( resid 23   and name HN  )  8.3100  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 24   and name N   )
       ( resid 24   and name HN  )  0.7600  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 25   and name N   )
       ( resid 25   and name HN  )  3.3200  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 26   and name N   )
       ( resid 26   and name HN  )  -9.7100  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 27   and name N   )
       ( resid 27   and name HN  )  -6.8800  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 28   and name N   )
       ( resid 28   and name HN  )  -9.6700  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 29   and name N   )
       ( resid 29   and name HN  )  -7.9700  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 30   and name N   )
       ( resid 30   and name HN  )  -7.8200  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 32   and name N   )
       ( resid 32   and name HN  )  -10.6300  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 34   and name N   )
       ( resid 34   and name HN  )  -9.3100  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 35   and name N   )
       ( resid 35   and name HN  )  -8.5400  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 36   and name N   )
       ( resid 36   and name HN  )  -9.3400  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 37   and name N   )
       ( resid 37   and name HN  )  -7.9800  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 39   and name N   )
       ( resid 39   and name HN  )  -8.8600  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 42   and name N   )
       ( resid 42   and name HN  )  -1.9600  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 43   and name N   )
       ( resid 43   and name HN  )  -4.6800  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 44   and name N   )
       ( resid 44   and name HN  )  -8.0300  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 49   and name N   )
       ( resid 49   and name HN  )  7.2700  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 50   and name N   )
       ( resid 50   and name HN  )  10.1500  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 51   and name N   )
       ( resid 51   and name HN  )  9.6900  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 53   and name N   )
       ( resid 53   and name HN  )  -3.2800  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 54   and name N   )
       ( resid 54   and name HN  )  -5.0700  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 56   and name N   )
       ( resid 56   and name HN  )  -2.4000  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 59   and name N   )
       ( resid 59   and name HN  )  7.0000  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 60   and name N   )
       ( resid 60   and name HN  )  -7.0600  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 64   and name N   )
       ( resid 64   and name HN  )  11.0100  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 65   and name N   )
       ( resid 65   and name HN  )  7.5800  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 66   and name N   )
       ( resid 66   and name HN  )  4.5000  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 68   and name N   )
       ( resid 68   and name HN  )  1.2600  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 69   and name N   )
       ( resid 69   and name HN  )  -4.2300  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 71   and name N   )
       ( resid 71   and name HN  )  -1.4500  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 74   and name N   )
       ( resid 74   and name HN  )  -0.1100  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 76   and name N   )
       ( resid 76   and name HN  )  0.0300  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 77   and name N   )
       ( resid 77   and name HN  )  1.2500  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 79   and name N   )
       ( resid 79   and name HN  )  6.5500  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 80   and name N   )
       ( resid 80   and name HN  )  -8.4200  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 81   and name N   )
       ( resid 81   and name HN  )  5.1900  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 82   and name N   )
       ( resid 82   and name HN  )  7.6700  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 83   and name N   )
       ( resid 83   and name HN  )  9.3200  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 85   and name N   )
       ( resid 85   and name HN  )  1.5500  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 89   and name N   )
       ( resid 89   and name HN  )  -2.8100  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 93   and name N   )
       ( resid 93   and name HN  )  -7.5600  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 94   and name N   )
       ( resid 94   and name HN  )  -5.6700  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 95   and name N   )
       ( resid 95   and name HN  )  -4.5000  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 96   and name N   )
       ( resid 96   and name HN  )  -7.8100  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 98   and name N   )
       ( resid 98   and name HN  )  -4.3900  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100  and name N   )
       ( resid 100  and name HN  )  -8.0500  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 102  and name N   )
       ( resid 102  and name HN  )  -4.8700  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 103  and name N   )
       ( resid 103  and name HN  )  -7.0100  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 105  and name N   )
       ( resid 105  and name HN  )  -3.0800  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 106  and name N   )
       ( resid 106  and name HN  )  -1.5400  0.2000


!N-C'
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 15   and name C   )
       ( resid 16   and name N   )  -1.7427  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 17   and name C   )
       ( resid 18   and name N   )  0.0830  0.2000


assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 22   and name C   )
       ( resid 23   and name N   )  1.6598  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 23   and name C   )
       ( resid 24   and name N   )  -3.6515  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 24   and name C   )
       ( resid 25   and name N   )  10.3734  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 26   and name C   )
       ( resid 27   and name N   )  -2.5726  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 27   and name C   )
       ( resid 28   and name N   )  1.2448  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 28   and name C   )
       ( resid 29   and name N   )  0.4149  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 29   and name C   )
       ( resid 30   and name N   )  6.3071  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 31   and name C   )
       ( resid 32   and name N   )  2.4896  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 33   and name C   )
       ( resid 34   and name N   )  3.7344  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 34   and name C   )
       ( resid 35   and name N   )  8.6307  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 35   and name C   )
       ( resid 36   and name N   )  -1.9917  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 38   and name C   )
       ( resid 39   and name N   )  3.7344  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 41   and name C   )
       ( resid 42   and name N   )  9.5436  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 49   and name C   )
       ( resid 50   and name N   )  -2.3237  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 50   and name C   )
       ( resid 51   and name N   )  -2.0747  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 52   and name C   )
       ( resid 53   and name N   )  2.7386  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 53   and name C   )
       ( resid 54   and name N   )  -5.1452  0.2000


assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 59   and name C   )
       ( resid 60   and name N   )  -4.9793  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 61   and name C   )
       ( resid 62   and name N   )  0.2490  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 63   and name C   )
       ( resid 64   and name N   )  -1.5768  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 64   and name C   )
       ( resid 65   and name N   )  3.2365  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 65   and name C   )
       ( resid 66   and name N   )  -9.8755  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 68   and name C   )
       ( resid 69   and name N   )  -0.4149  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 70   and name C   )
       ( resid 71   and name N   )  -2.9876  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 73   and name C   )
       ( resid 74   and name N   )  9.7095  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 75   and name C   )
       ( resid 76   and name N   )  4.3983  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 78   and name C   )
       ( resid 79   and name N   )  0.6639  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 79   and name C   )
       ( resid 80   and name N   )  1.6598  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 82   and name C   )
       ( resid 83   and name N   )  2.1577  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 84   and name C   )
       ( resid 85   and name N   )  -1.3278  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 88   and name C   )
       ( resid 89   and name N   )  1.6598  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 89   and name C   )
       ( resid 90   and name N   )  2.3237  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 94   and name C   )
       ( resid 95   and name N   )  0.4979  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 97   and name C   )
       ( resid 98   and name N   )  5.2282  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 99   and name C   )
       ( resid 100  and name N   )  -9.0456  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100  and name C   )
       ( resid 101  and name N   )  5.3112  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 101  and name C   )
       ( resid 102  and name N   )  -1.5768  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 102  and name C   )
       ( resid 103  and name N   )  6.3071  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 105  and name C   )
       ( resid 106  and name N   )  2.5726  0.2000



!HN-C'



assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 15   and name C   )
       ( resid 16   and name HN  )  4.4648  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 17   and name C   )
       ( resid 18   and name HN  )  6.2691  0.2000


assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 22   and name C   )
       ( resid 23   and name HN  )  5.7187  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 23   and name C   )
       ( resid 24   and name HN  )  -3.8226  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 24   and name C   )
       ( resid 25   and name HN  )  8.4098  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 26   and name C   )
       ( resid 27   and name HN  )  -1.5596  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 27   and name C   )
       ( resid 28   and name HN  )  0.0917  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 28   and name C   )
       ( resid 29   and name HN  )  -2.6911  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 29   and name C   )
       ( resid 30   and name HN  )  -0.0306  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 31   and name C   )
       ( resid 32   and name HN  )  -1.8960  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 33   and name C   )
       ( resid 34   and name HN  )  -1.2844  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 34   and name C   )
       ( resid 35   and name HN  )  1.0092  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 35   and name C   )
       ( resid 36   and name HN  )  -5.8410  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 38   and name C   )
       ( resid 39   and name HN  )  1.6514  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 41   and name C   )
       ( resid 42   and name HN  )  7.2477  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 49   and name C   )
       ( resid 50   and name HN  )  5.6575  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 50   and name C   )
       ( resid 51   and name HN  )  4.0673  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 52   and name C   )
       ( resid 53   and name HN  )  1.4373  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 53   and name C   )
       ( resid 54   and name HN  )  -4.6483  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 59   and name C   )
       ( resid 60   and name HN  )  -7.7676  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 61   and name C   )
       ( resid 62   and name HN  )  5.5046  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 63   and name C   )
       ( resid 64   and name HN  )  8.2263  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 64   and name C   )
       ( resid 65   and name HN  )  9.7553  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 65   and name C   )
       ( resid 66   and name HN  )  -6.0245  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 68   and name C   )
       ( resid 69   and name HN  )  -4.6789  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 70   and name C   )
       ( resid 71   and name HN  )  -1.6208  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 73   and name C   )
       ( resid 74   and name HN  )  8.0122  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 78   and name C   )
       ( resid 79   and name HN  )  9.0826  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 79   and name C   )
       ( resid 80   and name HN  )  -4.8930  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 82   and name C   )
       ( resid 83   and name HN  )  3.9449  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 84   and name C   )
       ( resid 85   and name HN  )  0.2446  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 88   and name C   )
       ( resid 89   and name HN  )  0.6422  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 89   and name C   )
       ( resid 90   and name HN  )  2.0795  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 94   and name C   )
       ( resid 95   and name HN  )  2.0183  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 97   and name C   )
       ( resid 98   and name HN  )  0.7339  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 99   and name C   )
       ( resid 100  and name HN  )  -7.3089  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100  and name C   )
       ( resid 101  and name HN  )  0.5505  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 101  and name C   )
       ( resid 102  and name HN  )  -0.9786  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 102  and name C   )
       ( resid 103  and name HN  )  2.9358  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 105  and name C   )
       ( resid 106  and name HN  )  4.1284  0.2000


!Positive gel

!N-H
assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 14   and name N   )
       ( resid 14   and name HN  )  -5.2700  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 16   and name N   )
       ( resid 16   and name HN  )  -1.0700  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 18   and name N   )
       ( resid 18   and name HN  )  1.6800  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 19   and name N   )
       ( resid 19   and name HN  )  4.9700  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 20   and name N   )
       ( resid 20   and name HN  )  -1.4800  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 21   and name N   )
       ( resid 21   and name HN  )  -4.3700  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 22   and name N   )
       ( resid 22   and name HN  )  -4.0200  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 23   and name N   )
       ( resid 23   and name HN  )  0.5800  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 24   and name N   )
       ( resid 24   and name HN  )  -1.7100  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 25   and name N   )
       ( resid 25   and name HN  )  0.6400  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 27   and name N   )
       ( resid 27   and name HN  )  0.8000  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 28   and name N   )
       ( resid 28   and name HN  )  3.1700  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 29   and name N   )
       ( resid 29   and name HN  )  -0.7400  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 30   and name N   )
       ( resid 30   and name HN  )  -1.3900  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 32   and name N   )
       ( resid 32   and name HN  )  2.5700  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 33   and name N   )
       ( resid 33   and name HN  )  -0.5400  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 34   and name N   )
       ( resid 34   and name HN  )  -0.2700  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 35   and name N   )
       ( resid 35   and name HN  )  4.7700  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 36   and name N   )
       ( resid 36   and name HN  )  2.1300  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 37   and name N   )
       ( resid 37   and name HN  )  0.4900  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 38   and name N   )
       ( resid 38   and name HN  )  3.6100  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 39   and name N   )
       ( resid 39   and name HN  )  4.0400  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 42   and name N   )
       ( resid 42   and name HN  )  6.1100  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 49   and name N   )
       ( resid 49   and name HN  )  2.0400  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 50   and name N   )
       ( resid 50   and name HN  )  2.7200  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 51   and name N   )
       ( resid 51   and name HN  )  0.8000  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 53   and name N   )
       ( resid 53   and name HN  )  -0.9700  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 54   and name N   )
       ( resid 54   and name HN  )  1.9800  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 59   and name N   )
       ( resid 59   and name HN  )  6.1000  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 60   and name N   )
       ( resid 60   and name HN  )  -0.9100  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 62   and name N   )
       ( resid 62   and name HN  )  3.2700  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 64   and name N   )
       ( resid 64   and name HN  )  3.8700  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 65   and name N   )
       ( resid 65   and name HN  )  6.3700  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 66   and name N   )
       ( resid 66   and name HN  )  2.6700  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 68   and name N   )
       ( resid 68   and name HN  )  -2.7700  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 69   and name N   )
       ( resid 69   and name HN  )  -5.2800  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 71   and name N   )
       ( resid 71   and name HN  )  -0.4700  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 74   and name N   )
       ( resid 74   and name HN  )  -2.4000  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 76   and name N   )
       ( resid 76   and name HN  )  -4.6100  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 77   and name N   )
       ( resid 77   and name HN  )  -3.3200  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 79   and name N   )
       ( resid 79   and name HN  )  4.1200  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 80   and name N   )
       ( resid 80   and name HN  )  1.4800  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 81   and name N   )
       ( resid 81   and name HN  )  -1.0400  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 82   and name N   )
       ( resid 82   and name HN  )  3.4100  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 83   and name N   )
       ( resid 83   and name HN  )  4.3800  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 85   and name N   )
       ( resid 85   and name HN  )  3.4800  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 89   and name N   )
       ( resid 89   and name HN  )  0.5700  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 94   and name N   )
       ( resid 94   and name HN  )  3.7100  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 95   and name N   )
       ( resid 95   and name HN  )  1.6200  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 96   and name N   )
       ( resid 96   and name HN  )  3.5300  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 98   and name N   )
       ( resid 98   and name HN  )  1.3700  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 100  and name N   )
       ( resid 100  and name HN  )  5.0800  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 102  and name N   )
       ( resid 102  and name HN  )  0.3900  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 103  and name N   )
       ( resid 103  and name HN  )  2.4200  0.2000

assign ( resid 700  and name OO  )
       ( resid 700  and name Z   )
       ( resid 700  and name X   )
       ( resid 700  and name Y   )
       ( resid 105  and name N   )
       ( resid 105  and name HN  )  -1.6700  0.2000


  Entry H atom name         Submitted Coord H atom name
    1   1H    SER 375           HN       SER 375 113.941   7.258 -38.714
    2    HA   SER 375           HA       SER 375 113.916   6.766 -36.283
    3   1HB   SER 375          HB2       SER 375 116.158   6.193 -38.071
    4   2HB   SER 375          HB1       SER 375 116.614   6.137 -36.370
    5    HG   SER 375           HG       SER 375 114.226   4.989 -36.676
    6    H    HIS 376           HN       HIS 376 113.567   8.763 -35.201
    7    HA   HIS 376           HA       HIS 376 116.008  10.211 -34.358
    8   1HB   HIS 376          HB2       HIS 376 113.376  11.041 -35.231
    9   2HB   HIS 376          HB1       HIS 376 113.674  11.642 -33.608
   10    HD1  HIS 376           HD1      HIS 376 115.811  13.151 -33.270
   11    HD2  HIS 376           HD2      HIS 376 114.803  12.367 -37.237
   12    HE1  HIS 376           HE1      HIS 376 117.036  14.867 -34.670
   13    H    VAL 377           HN       VAL 377 116.662   9.982 -32.236
   14    HA   VAL 377           HA       VAL 377 115.169   8.500 -30.339
   15    HB   VAL 377           HB       VAL 377 117.442  10.459 -29.924
   16   1HG1  VAL 377          HG11      VAL 377 116.143   8.380 -28.156
   17   2HG1  VAL 377          HG12      VAL 377 116.405  10.090 -27.814
   18   3HG1  VAL 377          HG13      VAL 377 117.774   8.979 -27.856
   19   1HG2  VAL 377          HG21      VAL 377 117.772   7.484 -29.872
   20   2HG2  VAL 377          HG22      VAL 377 118.926   8.733 -30.339
   21   3HG2  VAL 377          HG23      VAL 377 117.634   8.271 -31.445
   22    H    ARG 378           HN       ARG 378 113.281   9.212 -29.504
   23    HA   ARG 378           HA       ARG 378 113.231  11.910 -28.347
   24   1HB   ARG 378          HB2       ARG 378 110.619  11.497 -29.440
   25   2HB   ARG 378          HB1       ARG 378 111.783  12.753 -29.853
   26   1HG   ARG 378          HG2       ARG 378 112.877  11.148 -31.417
   27   2HG   ARG 378          HG1       ARG 378 111.582   9.998 -31.090
   28   1HD   ARG 378          HD2       ARG 378 110.696  12.718 -31.860
   29   2HD   ARG 378          HD1       ARG 378 111.534  11.834 -33.112
   30    HE   ARG 378           HE       ARG 378 109.642  10.090 -32.024
   31   1HH1  ARG 378          HH21      ARG 378 109.817  13.137 -33.632
   32   2HH1  ARG 378          HH22      ARG 378 108.254  13.012 -34.368
   33   1HH2  ARG 378          HH11      ARG 378 107.566   9.897 -32.995
   34   2HH2  ARG 378          HH12      ARG 378 106.979  11.176 -34.006
   35    H    LYS 379           HN       LYS 379 112.696   8.657 -27.999
   36    HA   LYS 379           HA       LYS 379 110.519   9.084 -26.059
   37   1HB   LYS 379          HB2       LYS 379 110.509   7.442 -28.187
   38   2HB   LYS 379          HB1       LYS 379 111.208   6.349 -26.992
   39   1HG   LYS 379          HG2       LYS 379 109.330   6.665 -25.503
   40   2HG   LYS 379          HG1       LYS 379 108.671   7.939 -26.528
   41   1HD   LYS 379          HD2       LYS 379 108.281   6.355 -28.331
   42   2HD   LYS 379          HD1       LYS 379 109.029   5.061 -27.392
   43   1HE   LYS 379          HE2       LYS 379 107.237   4.878 -25.952
   44   2HE   LYS 379          HE1       LYS 379 106.789   6.576 -26.114
   45   1HZ   LYS 379          HZ1       LYS 379 106.573   5.039 -28.547
   46   2HZ   LYS 379          HZ2       LYS 379 105.488   6.148 -27.856
   47   3HZ   LYS 379          HZ3       LYS 379 105.520   4.539 -27.315
   48    H    ILE 380           HN       ILE 380 110.929   8.976 -24.049
   49    HA   ILE 380           HA       ILE 380 113.161   7.306 -23.070
   50    HB   ILE 380           HB       ILE 380 112.290  10.044 -22.107
   51   1HG1  ILE 380          HG12      ILE 380 115.033   9.198 -23.021
   52   2HG1  ILE 380          HG11      ILE 380 113.811   9.734 -24.168
   53   1HG2  ILE 380          HG21      ILE 380 114.122   9.795 -20.472
   54   2HG2  ILE 380          HG22      ILE 380 114.320   8.117 -20.981
   55   3HG2  ILE 380          HG23      ILE 380 112.820   8.638 -20.211
   56   1HD1  ILE 380          HD11      ILE 380 113.760  11.855 -23.340
   57   2HD1  ILE 380          HD12      ILE 380 115.460  11.441 -23.150
   58   3HD1  ILE 380          HD13      ILE 380 114.377  11.389 -21.754
   59    H    ILE 381           HN       ILE 381 112.540   5.831 -21.693
   60    HA   ILE 381           HA       ILE 381 110.086   6.234 -20.115
   61    HB   ILE 381           HB       ILE 381 109.725   4.800 -22.192
   62   1HG1  ILE 381          HG12      ILE 381 109.250   3.355 -19.575
   63   2HG1  ILE 381          HG11      ILE 381 108.345   4.794 -20.035
   64   1HG2  ILE 381          HG21      ILE 381 110.973   2.539 -20.688
   65   2HG2  ILE 381          HG22      ILE 381 112.052   3.616 -21.576
   66   3HG2  ILE 381          HG23      ILE 381 110.768   2.759 -22.426
   67   1HD1  ILE 381          HD11      ILE 381 106.968   3.540 -21.287
   68   2HD1  ILE 381          HD12      ILE 381 107.864   2.096 -20.823
   69   3HD1  ILE 381          HD13      ILE 381 108.328   2.991 -22.269
   70    H    VAL 382           HN       VAL 382 110.161   5.526 -18.044
   71    HA   VAL 382           HA       VAL 382 112.728   4.358 -17.177
   72    HB   VAL 382           HB       VAL 382 110.647   5.956 -15.667
   73   1HG1  VAL 382          HG11      VAL 382 111.607   4.224 -14.220
   74   2HG1  VAL 382          HG12      VAL 382 112.242   5.802 -13.766
   75   3HG1  VAL 382          HG13      VAL 382 113.235   4.693 -14.710
   76   1HG2  VAL 382          HG21      VAL 382 112.727   6.833 -17.307
   77   2HG2  VAL 382          HG22      VAL 382 113.438   6.892 -15.695
   78   3HG2  VAL 382          HG23      VAL 382 111.954   7.779 -16.036
   79    H    ALA 383           HN       ALA 383 112.720   2.346 -16.285
   80    HA   ALA 383           HA       ALA 383 110.075   1.193 -15.626
   81   1HB   ALA 383          HB1       ALA 383 112.399  -0.079 -17.055
   82   2HB   ALA 383          HB2       ALA 383 110.763   0.181 -17.652
   83   3HB   ALA 383          HB3       ALA 383 111.052  -0.998 -16.381
   84    H    SEP 384           HN       SEP 384 110.038  -0.488 -14.086
   85    HA   SEP 384           HA       SEP 384 112.382  -0.899 -12.404
   86   1HB   SEP 384          HB1       SEP 384 111.037   1.199 -11.630
   87   2HB   SEP 384          HB2       SEP 384 111.518   0.006 -10.429
   88    H    ASP 385           HN       ASP 385 111.483  -2.277 -10.369
   89    HA   ASP 385           HA       ASP 385 110.690  -4.766 -11.322
   90   1HB   ASP 385          HB2       ASP 385 111.741  -4.446  -9.139
   91   2HB   ASP 385          HB1       ASP 385 110.314  -3.586  -8.563
   92    H    ALA 386           HN       ALA 386 108.691  -2.449  -9.481
   93    HA   ALA 386           HA       ALA 386 106.298  -3.792 -10.534
   94   1HB   ALA 386          HB1       ALA 386 105.123  -2.937  -8.686
   95   2HB   ALA 386          HB2       ALA 386 106.315  -1.670  -8.398
   96   3HB   ALA 386          HB3       ALA 386 106.702  -3.347  -8.015
   97    H    GLY 387           HN       GLY 387 108.189  -0.919 -10.876
   98   1HA   GLY 387          HA2       GLY 387 107.899   0.949 -12.188
   99   2HA   GLY 387          HA1       GLY 387 106.639   0.047 -13.025
  100    H    MET 388           HN       MET 388 106.595   0.707  -9.580
  101    HA   MET 388           HA       MET 388 104.479   2.728 -10.016
  102   1HB   MET 388          HB2       MET 388 104.351   0.402  -8.091
  103   2HB   MET 388          HB1       MET 388 103.187   1.723  -8.192
  104   1HG   MET 388          HG2       MET 388 102.478   1.068 -10.372
  105   2HG   MET 388          HG1       MET 388 103.846  -0.027 -10.560
  106   1HE   MET 388          HE1       MET 388 102.136   0.327  -7.108
  107   2HE   MET 388          HE2       MET 388 100.894  -0.912  -7.087
  108   3HE   MET 388          HE3       MET 388 100.646   0.550  -8.040
  109    H    GLY 389           HN       GLY 389 107.427   2.371  -8.829
  110   1HA   GLY 389          HA2       GLY 389 106.877   4.081  -6.476
  111   2HA   GLY 389          HA1       GLY 389 108.055   2.774  -6.401
  112    H    SER 390           HN       SER 390 110.101   3.128  -7.109
  113    HA   SER 390           HA       SER 390 111.156   5.659  -7.305
  114   1HB   SER 390          HB2       SER 390 113.166   4.607  -8.118
  115   2HB   SER 390          HB1       SER 390 112.418   3.533  -6.940
  116    HG   SER 390           HG       SER 390 111.352   2.604  -8.906
  117    H    SER 391           HN       SER 391 109.850   3.634  -9.884
  118    HA   SER 391           HA       SER 391 110.860   5.010 -12.093
  119   1HB   SER 391          HB2       SER 391 108.918   4.083 -13.311
  120   2HB   SER 391          HB1       SER 391 109.706   2.874 -12.307
  121    HG   SER 391           HG       SER 391 107.207   3.455 -12.271
  122    H    ALA 392           HN       ALA 392 108.163   5.769  -9.974
  123    HA   ALA 392           HA       ALA 392 106.897   7.682 -11.623
  124   1HB   ALA 392          HB1       ALA 392 106.602   8.216  -8.776
  125   2HB   ALA 392          HB2       ALA 392 106.425   6.500  -9.135
  126   3HB   ALA 392          HB3       ALA 392 105.395   7.679  -9.945
  127    H    MET 393           HN       MET 393 109.373   8.011  -9.086
  128    HA   MET 393           HA       MET 393 109.404  10.871  -9.217
  129   1HB   MET 393          HB2       MET 393 111.528   9.020  -8.125
  130   2HB   MET 393          HB1       MET 393 111.305  10.728  -7.738
  131   1HG   MET 393          HG2       MET 393 109.178  10.283  -6.681
  132   2HG   MET 393          HG1       MET 393 109.193   8.618  -7.252
  133   1HE   MET 393          HE1       MET 393 110.322  11.280  -5.130
  134   2HE   MET 393          HE2       MET 393 111.785  10.757  -4.306
  135   3HE   MET 393          HE3       MET 393 110.212  10.400  -3.601
  136    H    GLY 394           HN       GLY 394 111.577   8.345 -10.436
  137   1HA   GLY 394          HA2       GLY 394 113.508   9.921 -11.672
  138   2HA   GLY 394          HA1       GLY 394 113.012   8.331 -12.249
  139    H    ALA 395           HN       ALA 395 110.431   8.734 -12.975
  140    HA   ALA 395           HA       ALA 395 110.638   9.832 -15.546
  141   1HB   ALA 395          HB1       ALA 395 108.133   9.665 -15.537
  142   2HB   ALA 395          HB2       ALA 395 108.237   9.202 -13.836
  143   3HB   ALA 395          HB3       ALA 395 108.981   8.194 -15.073
  144    H    GLY 396           HN       GLY 396 109.102  11.196 -12.634
  145   1HA   GLY 396          HA2       GLY 396 108.050  13.499 -13.815
  146   2HA   GLY 396          HA1       GLY 396 108.454  13.335 -12.112
  147    H    VAL 397           HN       VAL 397 111.169  13.115 -12.110
  148    HA   VAL 397           HA       VAL 397 111.967  15.804 -12.387
  149    HB   VAL 397           HB       VAL 397 113.532  13.253 -11.997
  150   1HG1  VAL 397          HG11      VAL 397 115.037  14.818 -13.046
  151   2HG1  VAL 397          HG12      VAL 397 115.409  14.788 -11.325
  152   3HG1  VAL 397          HG13      VAL 397 114.485  16.129 -12.003
  153   1HG2  VAL 397          HG21      VAL 397 111.954  14.924 -10.274
  154   2HG2  VAL 397          HG22      VAL 397 113.641  15.133  -9.810
  155   3HG2  VAL 397          HG23      VAL 397 112.927  13.523  -9.830
  156    H    LEU 398           HN       LEU 398 112.828  12.951 -14.349
  157    HA   LEU 398           HA       LEU 398 114.470  14.290 -16.202
  158   1HB   LEU 398          HB2       LEU 398 112.771  11.806 -16.386
  159   2HB   LEU 398          HB1       LEU 398 113.673  12.392 -17.781
  160    HG   LEU 398           HG       LEU 398 115.003  11.944 -15.108
  161   1HD1  LEU 398          HD11      LEU 398 114.658   9.985 -17.398
  162   2HD1  LEU 398          HD12      LEU 398 113.908   9.845 -15.809
  163   3HD1  LEU 398          HD13      LEU 398 115.660   9.717 -15.973
  164   1HD2  LEU 398          HD21      LEU 398 115.849  13.082 -17.552
  165   2HD2  LEU 398          HD22      LEU 398 116.535  11.460 -17.558
  166   3HD2  LEU 398          HD23      LEU 398 116.884  12.559 -16.230
  167    H    ARG 399           HN       ARG 399 111.028  13.609 -16.217
  168    HA   ARG 399           HA       ARG 399 110.355  14.594 -18.734
  169   1HB   ARG 399          HB2       ARG 399 108.856  13.330 -17.237
  170   2HB   ARG 399          HB1       ARG 399 108.761  14.730 -16.172
  171   1HG   ARG 399          HG2       ARG 399 107.854  16.063 -18.075
  172   2HG   ARG 399          HG1       ARG 399 107.844  14.592 -19.054
  173   1HD   ARG 399          HD2       ARG 399 106.388  13.527 -17.341
  174   2HD   ARG 399          HD1       ARG 399 106.383  15.022 -16.436
  175    HE   ARG 399           HE       ARG 399 105.591  15.320 -19.223
  176   1HH1  ARG 399          HH21      ARG 399 104.565  14.502 -16.034
  177   2HH1  ARG 399          HH22      ARG 399 102.877  14.696 -16.374
  178   1HH2  ARG 399          HH11      ARG 399 103.386  15.568 -19.700
  179   2HH2  ARG 399          HH12      ARG 399 102.209  15.298 -18.458
  180    H    LYS 400           HN       LYS 400 110.481  16.278 -15.605
  181    HA   LYS 400           HA       LYS 400 109.553  18.761 -16.519
  182   1HB   LYS 400          HB2       LYS 400 109.709  18.144 -14.131
  183   2HB   LYS 400          HB1       LYS 400 111.470  18.236 -14.239
  184   1HG   LYS 400          HG2       LYS 400 111.337  20.589 -14.891
  185   2HG   LYS 400          HG1       LYS 400 109.576  20.516 -14.872
  186   1HD   LYS 400          HD2       LYS 400 109.627  19.985 -12.461
  187   2HD   LYS 400          HD1       LYS 400 111.390  20.081 -12.482
  188   1HE   LYS 400          HE2       LYS 400 111.064  22.446 -13.461
  189   2HE   LYS 400          HE1       LYS 400 109.390  22.298 -12.929
  190   1HZ   LYS 400          HZ1       LYS 400 110.646  21.524 -10.735
  191   2HZ   LYS 400          HZ2       LYS 400 110.254  23.148 -11.046
  192   3HZ   LYS 400          HZ3       LYS 400 111.823  22.573 -11.359
  193    H    LYS 401           HN       LYS 401 112.862  17.508 -16.208
  194    HA   LYS 401           HA       LYS 401 114.162  19.903 -16.946
  195   1HB   LYS 401          HB2       LYS 401 115.038  17.029 -17.284
  196   2HB   LYS 401          HB1       LYS 401 116.063  18.446 -17.502
  197   1HG   LYS 401          HG2       LYS 401 115.704  19.129 -15.196
  198   2HG   LYS 401          HG1       LYS 401 114.604  17.773 -14.944
  199   1HD   LYS 401          HD2       LYS 401 116.429  16.184 -15.387
  200   2HD   LYS 401          HD1       LYS 401 117.535  17.524 -15.694
  201   1HE   LYS 401          HE2       LYS 401 116.546  18.208 -13.224
  202   2HE   LYS 401          HE1       LYS 401 116.557  16.450 -13.124
  203   1HZ   LYS 401          HZ1       LYS 401 118.697  16.709 -12.624
  204   2HZ   LYS 401          HZ2       LYS 401 118.759  18.296 -13.227
  205   3HZ   LYS 401          HZ3       LYS 401 118.925  16.976 -14.284
  206    H    ILE 402           HN       ILE 402 112.999  17.167 -18.854
  207    HA   ILE 402           HA       ILE 402 114.042  17.943 -21.352
  208    HB   ILE 402           HB       ILE 402 111.634  16.307 -20.561
  209   1HG1  ILE 402          HG12      ILE 402 114.319  15.473 -21.683
  210   2HG1  ILE 402          HG11      ILE 402 113.962  15.527 -19.959
  211   1HG2  ILE 402          HG21      ILE 402 112.900  16.629 -23.294
  212   2HG2  ILE 402          HG22      ILE 402 111.277  17.152 -22.842
  213   3HG2  ILE 402          HG23      ILE 402 111.675  15.438 -22.872
  214   1HD1  ILE 402          HD11      ILE 402 113.346  13.452 -21.821
  215   2HD1  ILE 402          HD12      ILE 402 111.831  14.134 -21.251
  216   3HD1  ILE 402          HD13      ILE 402 113.000  13.500 -20.095
  217    H    GLN 403           HN       GLN 403 110.910  18.582 -19.819
  218    HA   GLN 403           HA       GLN 403 109.782  20.020 -21.982
  219   1HB   GLN 403          HB2       GLN 403 109.176  20.260 -19.025
  220   2HB   GLN 403          HB1       GLN 403 108.133  20.781 -20.347
  221   1HG   GLN 403          HG2       GLN 403 108.891  18.013 -20.766
  222   2HG   GLN 403          HG1       GLN 403 108.247  18.198 -19.138
  223   1HE2  GLN 403          HE21      GLN 403 107.042  16.967 -21.687
  224   2HE2  GLN 403          HE22      GLN 403 105.535  17.734 -21.836
  225    H    ASP 404           HN       ASP 404 111.676  20.979 -19.167
  226    HA   ASP 404           HA       ASP 404 111.453  23.772 -19.477
  227   1HB   ASP 404          HB2       ASP 404 112.869  21.925 -17.806
  228   2HB   ASP 404          HB1       ASP 404 114.039  23.087 -18.414
  229    H    ALA 405           HN       ALA 405 113.635  21.393 -20.879
  230    HA   ALA 405           HA       ALA 405 115.397  23.298 -22.067
  231   1HB   ALA 405          HB1       ALA 405 115.014  20.352 -22.184
  232   2HB   ALA 405          HB2       ALA 405 116.472  21.290 -21.865
  233   3HB   ALA 405          HB3       ALA 405 115.891  21.101 -23.519
  234    H    GLY 406           HN       GLY 406 112.232  22.753 -22.780
  235   1HA   GLY 406          HA2       GLY 406 110.968  23.521 -24.550
  236   2HA   GLY 406          HA1       GLY 406 112.457  24.073 -25.308
  237    H    LEU 407           HN       LEU 407 112.241  20.748 -24.329
  238    HA   LEU 407           HA       LEU 407 112.246  19.976 -27.169
  239   1HB   LEU 407          HB2       LEU 407 112.907  18.380 -24.691
  240   2HB   LEU 407          HB1       LEU 407 113.067  17.792 -26.341
  241    HG   LEU 407           HG       LEU 407 114.508  20.272 -25.366
  242   1HD1  LEU 407          HD11      LEU 407 115.942  17.659 -25.643
  243   2HD1  LEU 407          HD12      LEU 407 115.008  17.922 -24.176
  244   3HD1  LEU 407          HD13      LEU 407 116.307  19.032 -24.603
  245   1HD2  LEU 407          HD21      LEU 407 114.160  19.423 -27.918
  246   2HD2  LEU 407          HD22      LEU 407 115.569  18.467 -27.500
  247   3HD2  LEU 407          HD23      LEU 407 115.631  20.223 -27.381
  248    H    SER 408           HN       SER 408 109.823  20.685 -26.791
  249    HA   SER 408           HA       SER 408 108.040  18.980 -25.470
  250   1HB   SER 408          HB2       SER 408 106.330  20.098 -26.641
  251   2HB   SER 408          HB1       SER 408 107.624  21.290 -26.552
  252    HG   SER 408           HG       SER 408 106.695  19.785 -28.721
  253    H    GLN 409           HN       GLN 409 109.902  18.471 -28.291
  254    HA   GLN 409           HA       GLN 409 108.147  16.634 -29.604
  255   1HB   GLN 409          HB2       GLN 409 111.134  17.031 -29.886
  256   2HB   GLN 409          HB1       GLN 409 110.112  16.116 -30.995
  257   1HG   GLN 409          HG2       GLN 409 108.731  18.222 -31.293
  258   2HG   GLN 409          HG1       GLN 409 109.984  19.079 -30.397
  259   1HE2  GLN 409          HE21      GLN 409 109.330  19.596 -33.191
  260   2HE2  GLN 409          HE22      GLN 409 110.703  19.200 -34.107
  261    H    ILE 410           HN       ILE 410 110.408  16.376 -27.006
  262    HA   ILE 410           HA       ILE 410 110.635  13.478 -27.272
  263    HB   ILE 410           HB       ILE 410 111.681  15.347 -25.133
  264   1HG1  ILE 410          HG12      ILE 410 113.124  13.928 -27.390
  265   2HG1  ILE 410          HG11      ILE 410 112.656  15.623 -27.430
  266   1HG2  ILE 410          HG21      ILE 410 111.397  12.470 -25.175
  267   2HG2  ILE 410          HG22      ILE 410 112.128  13.477 -23.930
  268   3HG2  ILE 410          HG23      ILE 410 113.112  12.870 -25.258
  269   1HD1  ILE 410          HD11      ILE 410 114.736  15.955 -26.557
  270   2HD1  ILE 410          HD12      ILE 410 114.855  14.304 -25.952
  271   3HD1  ILE 410          HD13      ILE 410 113.964  15.518 -25.033
  272    H    SER 411           HN       SER 411 109.463  12.022 -26.166
  273    HA   SER 411           HA       SER 411 107.391  13.057 -24.327
  274   1HB   SER 411          HB2       SER 411 106.225  11.988 -26.019
  275   2HB   SER 411          HB1       SER 411 107.491  10.792 -26.281
  276    HG   SER 411           HG       SER 411 105.960   9.709 -25.181
  277    H    VAL 412           HN       VAL 412 107.033  12.072 -22.344
  278    HA   VAL 412           HA       VAL 412 109.016  10.048 -21.495
  279    HB   VAL 412           HB       VAL 412 108.333  12.674 -20.205
  280   1HG1  VAL 412          HG11      VAL 412 108.050  11.419 -18.274
  281   2HG1  VAL 412          HG12      VAL 412 109.808  11.549 -18.271
  282   3HG1  VAL 412          HG13      VAL 412 109.035  10.083 -18.869
  283   1HG2  VAL 412          HG21      VAL 412 110.309  12.544 -21.632
  284   2HG2  VAL 412          HG22      VAL 412 110.877  11.129 -20.747
  285   3HG2  VAL 412          HG23      VAL 412 110.805  12.692 -19.944
  286    H    THR 413           HN       THR 413 108.243   8.369 -20.532
  287    HA   THR 413           HA       THR 413 105.842   8.569 -18.871
  288    HB   THR 413           HB       THR 413 104.565   6.928 -19.967
  289    HG1  THR 413           HG1      THR 413 106.667   6.443 -21.781
  290   1HG2  THR 413          HG21      THR 413 105.894   8.515 -22.179
  291   2HG2  THR 413          HG22      THR 413 104.614   9.128 -21.131
  292   3HG2  THR 413          HG23      THR 413 104.288   7.788 -22.230
  293    H    ASN 414           HN       ASN 414 105.418   6.317 -17.824
  294    HA   ASN 414           HA       ASN 414 107.948   4.855 -17.444
  295   1HB   ASN 414          HB2       ASN 414 107.628   4.816 -15.028
  296   2HB   ASN 414          HB1       ASN 414 107.747   6.472 -15.599
  297   1HD2  ASN 414          HD21      ASN 414 106.556   6.536 -13.272
  298   2HD2  ASN 414          HD22      ASN 414 104.862   6.587 -13.368
  299    H    SER 415           HN       SER 415 107.678   2.700 -16.735
  300    HA   SER 415           HA       SER 415 105.090   1.572 -16.294
  301   1HB   SER 415          HB2       SER 415 104.480   1.218 -18.436
  302   2HB   SER 415          HB1       SER 415 106.027   1.819 -19.023
  303    HG   SER 415           HG       SER 415 105.928  -0.712 -17.836
  304    H    ALA 416           HN       ALA 416 105.232  -0.837 -16.144
  305    HA   ALA 416           HA       ALA 416 107.470  -1.585 -14.579
  306   1HB   ALA 416          HB1       ALA 416 106.046  -3.224 -13.974
  307   2HB   ALA 416          HB2       ALA 416 106.064  -3.895 -15.604
  308   3HB   ALA 416          HB3       ALA 416 104.909  -2.633 -15.183
  309    H    ILE 417           HN       ILE 417 109.081  -3.202 -15.018
  310    HA   ILE 417           HA       ILE 417 110.393  -2.917 -17.491
  311    HB   ILE 417           HB       ILE 417 110.644  -5.061 -15.368
  312   1HG1  ILE 417          HG12      ILE 417 112.429  -2.715 -16.052
  313   2HG1  ILE 417          HG11      ILE 417 111.208  -2.671 -14.782
  314   1HG2  ILE 417          HG21      ILE 417 112.750  -5.682 -16.405
  315   2HG2  ILE 417          HG22      ILE 417 112.568  -4.432 -17.631
  316   3HG2  ILE 417          HG23      ILE 417 111.491  -5.827 -17.625
  317   1HD1  ILE 417          HD11      ILE 417 113.804  -4.095 -14.888
  318   2HD1  ILE 417          HD12      ILE 417 112.490  -4.940 -14.076
  319   3HD1  ILE 417          HD13      ILE 417 113.000  -3.351 -13.510
  320    H    ASN 418           HN       ASN 418 108.228  -5.467 -16.276
  321    HA   ASN 418           HA       ASN 418 108.457  -7.269 -18.370
  322   1HB   ASN 418          HB2       ASN 418 106.292  -6.574 -16.433
  323   2HB   ASN 418          HB1       ASN 418 105.859  -7.588 -17.805
  324   1HD2  ASN 418          HD21      ASN 418 108.563  -8.910 -17.898
  325   2HD2  ASN 418          HD22      ASN 418 108.593  -9.953 -16.561
  326    H    ASN 419           HN       ASN 419 107.133  -4.086 -18.370
  327    HA   ASN 419           HA       ASN 419 105.954  -4.554 -21.032
  328   1HB   ASN 419          HB2       ASN 419 104.813  -3.452 -18.634
  329   2HB   ASN 419          HB1       ASN 419 104.875  -2.185 -19.851
  330   1HD2  ASN 419          HD21      ASN 419 102.386  -3.183 -18.997
  331   2HD2  ASN 419          HD22      ASN 419 101.673  -4.067 -20.259
  332    H    LEU 420           HN       LEU 420 107.676  -3.920 -22.307
  333    HA   LEU 420           HA       LEU 420 108.236  -1.044 -22.253
  334   1HB   LEU 420          HB2       LEU 420 110.393  -3.140 -22.477
  335   2HB   LEU 420          HB1       LEU 420 110.627  -1.431 -22.794
  336    HG   LEU 420           HG       LEU 420 109.638  -2.541 -20.152
  337   1HD1  LEU 420          HD11      LEU 420 112.341  -1.296 -20.478
  338   2HD1  LEU 420          HD12      LEU 420 112.138  -2.962 -21.007
  339   3HD1  LEU 420          HD13      LEU 420 111.804  -2.522 -19.334
  340   1HD2  LEU 420          HD21      LEU 420 110.730  -0.013 -19.756
  341   2HD2  LEU 420          HD22      LEU 420 109.011  -0.371 -19.889
  342   3HD2  LEU 420          HD23      LEU 420 109.913   0.158 -21.308
  343    HA   PRO 421           HA       PRO 421 106.972  -2.173 -26.424
  344   1HB   PRO 421          HB2       PRO 421 107.393   0.511 -27.364
  345   2HB   PRO 421          HB1       PRO 421 105.860  -0.302 -27.024
  346   1HG   PRO 421          HG2       PRO 421 107.163   1.743 -25.504
  347   2HG   PRO 421          HG1       PRO 421 105.604   0.970 -25.199
  348   1HD   PRO 421          HD2       PRO 421 108.050   0.623 -23.746
  349   2HD   PRO 421          HD1       PRO 421 106.494  -0.183 -23.461
  350    HA   PRO 422           HA       PRO 422 111.095  -2.771 -28.039
  351   1HB   PRO 422          HB2       PRO 422 110.248  -3.284 -30.718
  352   2HB   PRO 422          HB1       PRO 422 110.642  -4.468 -29.466
  353   1HG   PRO 422          HG2       PRO 422 108.054  -3.703 -30.499
  354   2HG   PRO 422          HG1       PRO 422 108.476  -5.040 -29.424
  355   1HD   PRO 422          HD2       PRO 422 107.106  -2.659 -28.713
  356   2HD   PRO 422          HD1       PRO 422 107.720  -3.910 -27.614
  357    H    ASP 423           HN       ASP 423 108.869  -0.428 -29.301
  358    HA   ASP 423           HA       ASP 423 110.727   0.701 -31.205
  359   1HB   ASP 423          HB2       ASP 423 108.257   2.047 -30.126
  360   2HB   ASP 423          HB1       ASP 423 109.046   2.296 -31.681
  361    H    VAL 424           HN       VAL 424 110.575   0.860 -27.842
  362    HA   VAL 424           HA       VAL 424 111.024   3.603 -27.374
  363    HB   VAL 424           HB       VAL 424 110.432   1.894 -25.633
  364   1HG1  VAL 424          HG11      VAL 424 111.998   0.127 -26.292
  365   2HG1  VAL 424          HG12      VAL 424 112.296   0.608 -24.623
  366   3HG1  VAL 424          HG13      VAL 424 113.369   1.167 -25.902
  367   1HG2  VAL 424          HG21      VAL 424 112.541   3.977 -25.409
  368   2HG2  VAL 424          HG22      VAL 424 112.438   2.854 -24.054
  369   3HG2  VAL 424          HG23      VAL 424 111.028   3.801 -24.521
  370    H    ASP 425           HN       ASP 425 112.819   4.840 -27.357
  371    HA   ASP 425           HA       ASP 425 115.182   3.729 -28.692
  372   1HB   ASP 425          HB2       ASP 425 114.261   6.548 -28.138
  373   2HB   ASP 425          HB1       ASP 425 115.845   6.172 -28.816
  374    H    LEU 426           HN       LEU 426 114.267   5.426 -25.718
  375    HA   LEU 426           HA       LEU 426 116.898   4.682 -24.582
  376   1HB   LEU 426          HB2       LEU 426 115.245   7.163 -24.056
  377   2HB   LEU 426          HB1       LEU 426 116.654   6.698 -23.110
  378    HG   LEU 426           HG       LEU 426 116.827   7.016 -26.105
  379   1HD1  LEU 426          HD11      LEU 426 117.098   9.126 -23.943
  380   2HD1  LEU 426          HD12      LEU 426 115.939   9.122 -25.271
  381   3HD1  LEU 426          HD13      LEU 426 117.657   9.340 -25.602
  382   1HD2  LEU 426          HD21      LEU 426 118.973   7.638 -24.088
  383   2HD2  LEU 426          HD22      LEU 426 119.134   7.073 -25.745
  384   3HD2  LEU 426          HD23      LEU 426 118.648   5.955 -24.482
  385    H    VAL 427           HN       VAL 427 116.894   3.570 -22.763
  386    HA   VAL 427           HA       VAL 427 114.381   3.398 -21.208
  387    HB   VAL 427           HB       VAL 427 116.361   1.218 -21.892
  388   1HG1  VAL 427          HG11      VAL 427 114.683  -0.127 -20.444
  389   2HG1  VAL 427          HG12      VAL 427 114.257   1.431 -19.750
  390   3HG1  VAL 427          HG13      VAL 427 115.910   0.828 -19.618
  391   1HG2  VAL 427          HG21      VAL 427 114.480   1.792 -23.498
  392   2HG2  VAL 427          HG22      VAL 427 113.350   1.342 -22.221
  393   3HG2  VAL 427          HG23      VAL 427 114.450   0.137 -22.891
  394    H    ILE 428           HN       ILE 428 114.609   3.982 -19.133
  395    HA   ILE 428           HA       ILE 428 117.354   4.146 -18.013
  396    HB   ILE 428           HB       ILE 428 114.964   5.939 -17.506
  397   1HG1  ILE 428          HG12      ILE 428 117.606   6.603 -18.823
  398   2HG1  ILE 428          HG11      ILE 428 116.172   6.156 -19.739
  399   1HG2  ILE 428          HG21      ILE 428 116.203   5.895 -15.493
  400   2HG2  ILE 428          HG22      ILE 428 116.830   7.304 -16.348
  401   3HG2  ILE 428          HG23      ILE 428 117.745   5.796 -16.343
  402   1HD1  ILE 428          HD11      ILE 428 114.972   8.020 -18.461
  403   2HD1  ILE 428          HD12      ILE 428 116.152   8.531 -19.667
  404   3HD1  ILE 428          HD13      ILE 428 116.573   8.558 -17.954
  405    H    THR 429           HN       THR 429 117.637   2.668 -16.418
  406    HA   THR 429           HA       THR 429 115.462   2.318 -14.454
  407    HB   THR 429           HB       THR 429 115.347   0.002 -14.573
  408    HG1  THR 429           HG1      THR 429 117.243  -0.788 -16.189
  409   1HG2  THR 429          HG21      THR 429 114.817   1.269 -16.905
  410   2HG2  THR 429          HG22      THR 429 114.605  -0.458 -16.684
  411   3HG2  THR 429          HG23      THR 429 116.069   0.156 -17.447
  412    H    HIS 430           HN       HIS 430 116.275   0.907 -12.585
  413    HA   HIS 430           HA       HIS 430 118.746   2.021 -11.620
  414   1HB   HIS 430          HB2       HIS 430 116.760   1.464 -10.161
  415   2HB   HIS 430          HB1       HIS 430 117.143  -0.240 -10.405
  416    HD1  HIS 430           HD1      HIS 430 119.491  -1.065  -9.487
  417    HD2  HIS 430           HD2      HIS 430 118.421   2.787  -8.318
  418    HE1  HIS 430           HE1      HIS 430 121.041  -0.441  -7.585
  419    H    ARG 431           HN       ARG 431 120.709   1.094 -11.548
  420    HA   ARG 431           HA       ARG 431 121.609  -0.659 -13.396
  421   1HB   ARG 431          HB2       ARG 431 123.016   0.698 -11.868
  422   2HB   ARG 431          HB1       ARG 431 122.702  -0.481 -10.593
  423   1HG   ARG 431          HG2       ARG 431 123.658  -2.261 -12.015
  424   2HG   ARG 431          HG1       ARG 431 124.006  -1.063 -13.264
  425   1HD   ARG 431          HD2       ARG 431 125.308   0.205 -11.464
  426   2HD   ARG 431          HD1       ARG 431 125.185  -1.263 -10.496
  427    HE   ARG 431           HE       ARG 431 126.160  -2.117 -12.913
  428   1HH1  ARG 431          HH21      ARG 431 127.016   0.177 -10.476
  429   2HH1  ARG 431          HH22      ARG 431 128.709   0.156 -10.846
  430   1HH2  ARG 431          HH11      ARG 431 128.378  -2.140 -13.433
  431   2HH2  ARG 431          HH12      ARG 431 129.480  -1.158 -12.527
  432    H    ASP 432           HN       ASP 432 120.178  -1.551 -10.287
  433    HA   ASP 432           HA       ASP 432 120.971  -4.246 -10.351
  434   1HB   ASP 432          HB2       ASP 432 119.018  -2.620  -8.839
  435   2HB   ASP 432          HB1       ASP 432 118.608  -4.325  -8.957
  436    H    LEU 433           HN       LEU 433 118.515  -2.565 -12.142
  437    HA   LEU 433           HA       LEU 433 117.445  -5.175 -13.032
  438   1HB   LEU 433          HB2       LEU 433 115.986  -2.529 -12.998
  439   2HB   LEU 433          HB1       LEU 433 115.323  -4.119 -13.349
  440    HG   LEU 433           HG       LEU 433 116.601  -3.445 -10.698
  441   1HD1  LEU 433          HD11      LEU 433 114.576  -2.018 -11.271
  442   2HD1  LEU 433          HD12      LEU 433 114.421  -2.995  -9.812
  443   3HD1  LEU 433          HD13      LEU 433 113.637  -3.510 -11.305
  444   1HD2  LEU 433          HD21      LEU 433 115.672  -5.888 -11.893
  445   2HD2  LEU 433          HD22      LEU 433 114.555  -5.476 -10.598
  446   3HD2  LEU 433          HD23      LEU 433 116.276  -5.640 -10.258
  447    H    THR 434           HN       THR 434 119.442  -2.758 -14.025
  448    HA   THR 434           HA       THR 434 118.456  -2.127 -16.601
  449    HB   THR 434           HB       THR 434 120.986  -1.788 -17.101
  450    HG1  THR 434           HG1      THR 434 122.071  -2.767 -15.579
  451   1HG2  THR 434          HG21      THR 434 119.228  -0.041 -16.421
  452   2HG2  THR 434          HG22      THR 434 120.913   0.358 -16.112
  453   3HG2  THR 434          HG23      THR 434 119.884  -0.189 -14.791
  454    H    GLU 435           HN       GLU 435 120.270  -4.894 -15.395
  455    HA   GLU 435           HA       GLU 435 121.081  -5.998 -17.852
  456   1HB   GLU 435          HB2       GLU 435 120.325  -7.256 -15.215
  457   2HB   GLU 435          HB1       GLU 435 120.845  -8.221 -16.595
  458   1HG   GLU 435          HG2       GLU 435 122.964  -7.009 -16.689
  459   2HG   GLU 435          HG1       GLU 435 122.445  -5.951 -15.377
  460    H    ARG 436           HN       ARG 436 118.063  -6.324 -16.023
  461    HA   ARG 436           HA       ARG 436 116.789  -8.185 -17.698
  462   1HB   ARG 436          HB2       ARG 436 115.902  -6.183 -15.681
  463   2HB   ARG 436          HB1       ARG 436 114.676  -6.840 -16.760
  464   1HG   ARG 436          HG2       ARG 436 115.370  -9.131 -16.122
  465   2HG   ARG 436          HG1       ARG 436 116.531  -8.440 -14.982
  466   1HD   ARG 436          HD2       ARG 436 114.739  -7.345 -13.760
  467   2HD   ARG 436          HD1       ARG 436 113.560  -7.855 -14.955
  468    HE   ARG 436           HE       ARG 436 114.794 -10.168 -14.000
  469   1HH1  ARG 436          HH21      ARG 436 112.935  -7.517 -12.787
  470   2HH1  ARG 436          HH22      ARG 436 112.226  -8.426 -11.494
  471   1HH2  ARG 436          HH11      ARG 436 113.869 -11.371 -12.315
  472   2HH2  ARG 436          HH12      ARG 436 112.757 -10.612 -11.227
  473    H    ALA 437           HN       ALA 437 116.635  -4.598 -17.723
  474    HA   ALA 437           HA       ALA 437 114.788  -4.459 -19.844
  475   1HB   ALA 437          HB1       ALA 437 115.525  -2.635 -18.185
  476   2HB   ALA 437          HB2       ALA 437 115.208  -2.165 -19.850
  477   3HB   ALA 437          HB3       ALA 437 116.868  -2.360 -19.298
  478    H    MET 438           HN       MET 438 118.325  -4.418 -19.779
  479    HA   MET 438           HA       MET 438 118.849  -3.880 -22.460
  480   1HB   MET 438          HB2       MET 438 120.239  -5.629 -20.428
  481   2HB   MET 438          HB1       MET 438 120.873  -5.416 -22.057
  482   1HG   MET 438          HG2       MET 438 121.065  -3.018 -21.720
  483   2HG   MET 438          HG1       MET 438 120.294  -3.146 -20.136
  484   1HE   MET 438          HE1       MET 438 123.213  -1.969 -19.055
  485   2HE   MET 438          HE2       MET 438 122.570  -1.687 -20.670
  486   3HE   MET 438          HE3       MET 438 124.196  -2.337 -20.478
  487    H    ARG 439           HN       ARG 439 118.058  -6.861 -20.792
  488    HA   ARG 439           HA       ARG 439 118.509  -8.652 -22.874
  489   1HB   ARG 439          HB2       ARG 439 117.877  -8.798 -20.240
  490   2HB   ARG 439          HB1       ARG 439 116.329  -9.248 -20.952
  491   1HG   ARG 439          HG2       ARG 439 117.412 -10.984 -22.279
  492   2HG   ARG 439          HG1       ARG 439 118.988 -10.504 -21.651
  493   1HD   ARG 439          HD2       ARG 439 117.480 -10.921 -19.352
  494   2HD   ARG 439          HD1       ARG 439 116.925 -12.185 -20.429
  495    HE   ARG 439           HE       ARG 439 119.839 -11.668 -20.263
  496   1HH1  ARG 439          HH21      ARG 439 117.157 -13.546 -19.196
  497   2HH1  ARG 439          HH22      ARG 439 118.141 -14.792 -18.502
  498   1HH2  ARG 439          HH11      ARG 439 121.136 -13.250 -19.364
  499   2HH2  ARG 439          HH12      ARG 439 120.408 -14.622 -18.596
  500    H    GLN 440           HN       GLN 440 115.514  -7.072 -21.823
  501    HA   GLN 440           HA       GLN 440 113.793  -8.345 -23.645
  502   1HB   GLN 440          HB2       GLN 440 113.187  -6.947 -21.622
  503   2HB   GLN 440          HB1       GLN 440 113.547  -5.524 -22.593
  504   1HG   GLN 440          HG2       GLN 440 111.816  -6.113 -24.189
  505   2HG   GLN 440          HG1       GLN 440 111.514  -7.639 -23.346
  506   1HE2  GLN 440          HE21      GLN 440 109.359  -7.141 -22.570
  507   2HE2  GLN 440          HE22      GLN 440 109.065  -5.880 -21.473
  508    H    VAL 441           HN       VAL 441 115.671  -5.354 -23.803
  509    HA   VAL 441           HA       VAL 441 115.680  -5.556 -26.718
  510    HB   VAL 441           HB       VAL 441 115.513  -2.975 -26.687
  511   1HG1  VAL 441          HG11      VAL 441 113.341  -5.008 -26.464
  512   2HG1  VAL 441          HG12      VAL 441 113.746  -3.931 -27.800
  513   3HG1  VAL 441          HG13      VAL 441 112.866  -3.309 -26.405
  514   1HG2  VAL 441          HG21      VAL 441 114.966  -1.925 -24.748
  515   2HG2  VAL 441          HG22      VAL 441 115.289  -3.440 -23.914
  516   3HG2  VAL 441          HG23      VAL 441 113.650  -3.051 -24.430
  517    HA   PRO 442           HA       PRO 442 119.828  -4.674 -24.960
  518   1HB   PRO 442          HB2       PRO 442 121.187  -6.493 -26.489
  519   2HB   PRO 442          HB1       PRO 442 120.426  -6.900 -24.941
  520   1HG   PRO 442          HG2       PRO 442 119.565  -7.540 -27.687
  521   2HG   PRO 442          HG1       PRO 442 119.249  -8.398 -26.172
  522   1HD   PRO 442          HD2       PRO 442 117.446  -6.705 -27.536
  523   2HD   PRO 442          HD1       PRO 442 117.254  -7.326 -25.884
  524    H    GLN 443           HN       GLN 443 118.216  -4.421 -27.855
  525    HA   GLN 443           HA       GLN 443 120.387  -3.259 -29.406
  526   1HB   GLN 443          HB2       GLN 443 117.437  -3.575 -30.021
  527   2HB   GLN 443          HB1       GLN 443 118.702  -3.127 -31.168
  528   1HG   GLN 443          HG2       GLN 443 119.842  -5.327 -30.582
  529   2HG   GLN 443          HG1       GLN 443 118.368  -5.762 -29.721
  530   1HE2  GLN 443          HE21      GLN 443 118.803  -7.485 -31.700
  531   2HE2  GLN 443          HE22      GLN 443 117.879  -7.148 -33.084
  532    H    ALA 444           HN       ALA 444 118.180  -2.347 -27.052
  533    HA   ALA 444           HA       ALA 444 117.719   0.355 -28.062
  534   1HB   ALA 444          HB1       ALA 444 116.902  -0.969 -25.466
  535   2HB   ALA 444          HB2       ALA 444 115.882  -0.747 -26.888
  536   3HB   ALA 444          HB3       ALA 444 116.431   0.653 -25.971
  537    H    GLN 445           HN       GLN 445 118.077   2.160 -26.430
  538    HA   GLN 445           HA       GLN 445 120.824   1.914 -25.412
  539   1HB   GLN 445          HB2       GLN 445 119.080   4.291 -26.037
  540   2HB   GLN 445          HB1       GLN 445 120.575   4.440 -25.107
  541   1HG   GLN 445          HG2       GLN 445 121.788   3.279 -26.961
  542   2HG   GLN 445          HG1       GLN 445 120.297   3.288 -27.897
  543   1HE2  GLN 445          HE21      GLN 445 122.229   4.587 -29.188
  544   2HE2  GLN 445          HE22      GLN 445 122.111   6.272 -29.025
  545    H    HIS 446           HN       HIS 446 121.205   1.640 -23.350
  546    HA   HIS 446           HA       HIS 446 119.010   2.127 -21.431
  547   1HB   HIS 446          HB2       HIS 446 121.209   0.046 -21.374
  548   2HB   HIS 446          HB1       HIS 446 119.996   0.284 -20.114
  549    HD1  HIS 446           HD1      HIS 446 117.453  -0.116 -20.852
  550    HD2  HIS 446           HD2      HIS 446 120.328  -1.449 -23.559
  551    HE1  HIS 446           HE1      HIS 446 116.255  -1.651 -22.472
  552    H    ILE 447           HN       ILE 447 119.396   3.249 -19.660
  553    HA   ILE 447           HA       ILE 447 122.168   4.105 -19.087
  554    HB   ILE 447           HB       ILE 447 119.629   5.715 -18.788
  555   1HG1  ILE 447          HG12      ILE 447 120.323   5.564 -21.130
  556   2HG1  ILE 447          HG11      ILE 447 120.657   7.183 -20.516
  557   1HG2  ILE 447          HG21      ILE 447 121.286   7.548 -18.275
  558   2HG2  ILE 447          HG22      ILE 447 122.507   6.288 -18.098
  559   3HG2  ILE 447          HG23      ILE 447 121.106   6.322 -17.024
  560   1HD1  ILE 447          HD11      ILE 447 123.021   6.040 -19.928
  561   2HD1  ILE 447          HD12      ILE 447 122.695   6.755 -21.503
  562   3HD1  ILE 447          HD13      ILE 447 122.558   5.012 -21.283
  563    H    SER 448           HN       SER 448 122.809   3.594 -17.096
  564    HA   SER 448           HA       SER 448 120.805   2.455 -15.272
  565   1HB   SER 448          HB2       SER 448 122.483   1.107 -14.438
  566   2HB   SER 448          HB1       SER 448 123.006   1.293 -16.106
  567    HG   SER 448           HG       SER 448 124.459   2.837 -15.454
  568    H    LEU 449           HN       LEU 449 120.463   3.144 -13.267
  569    HA   LEU 449           HA       LEU 449 121.788   5.645 -12.427
  570   1HB   LEU 449          HB2       LEU 449 119.177   4.420 -11.496
  571   2HB   LEU 449          HB1       LEU 449 119.838   5.970 -10.975
  572    HG   LEU 449           HG       LEU 449 119.131   5.273 -13.841
  573   1HD1  LEU 449          HD11      LEU 449 117.197   5.453 -12.214
  574   2HD1  LEU 449          HD12      LEU 449 117.161   6.619 -13.537
  575   3HD1  LEU 449          HD13      LEU 449 117.691   7.120 -11.933
  576   1HD2  LEU 449          HD21      LEU 449 120.535   7.533 -12.540
  577   2HD2  LEU 449          HD22      LEU 449 119.219   8.029 -13.601
  578   3HD2  LEU 449          HD23      LEU 449 120.529   7.035 -14.231
  579    H    THR 450           HN       THR 450 122.035   5.809  -9.961
  580    HA   THR 450           HA       THR 450 122.864   3.181  -8.878
  581    HB   THR 450           HB       THR 450 124.495   4.582  -7.510
  582    HG1  THR 450           HG1      THR 450 124.278   6.637  -7.755
  583   1HG2  THR 450          HG21      THR 450 124.693   3.568 -10.168
  584   2HG2  THR 450          HG22      THR 450 126.006   3.859  -9.029
  585   3HG2  THR 450          HG23      THR 450 125.518   5.126 -10.151
  586    H    ASN 451           HN       ASN 451 121.519   6.382  -8.184
  587    HA   ASN 451           HA       ASN 451 120.122   5.213  -5.873
  588   1HB   ASN 451          HB2       ASN 451 122.092   7.395  -5.833
  589   2HB   ASN 451          HB1       ASN 451 120.573   7.819  -5.052
  590   1HD2  ASN 451          HD21      ASN 451 122.893   7.579  -3.482
  591   2HD2  ASN 451          HD22      ASN 451 122.777   6.192  -2.510
  592    H    PHE 452           HN       PHE 452 118.191   6.224  -5.297
  593    HA   PHE 452           HA       PHE 452 116.561   6.931  -7.469
  594   1HB   PHE 452          HB2       PHE 452 116.064   7.353  -4.518
  595   2HB   PHE 452          HB1       PHE 452 114.837   7.326  -5.785
  596    HD1  PHE 452           HD1      PHE 452 116.180   5.394  -3.269
  597    HD2  PHE 452           HD2      PHE 452 115.257   5.141  -7.452
  598    HE1  PHE 452           HE1      PHE 452 116.064   2.922  -3.098
  599    HE2  PHE 452           HE2      PHE 452 115.128   2.676  -7.282
  600    HZ   PHE 452           HZ       PHE 452 115.534   1.563  -5.104
  601    H    LEU 453           HN       LEU 453 118.165   8.989  -5.041
  602    HA   LEU 453           HA       LEU 453 117.040  11.325  -6.459
  603   1HB   LEU 453          HB2       LEU 453 118.216  11.172  -3.672
  604   2HB   LEU 453          HB1       LEU 453 117.533  12.612  -4.420
  605    HG   LEU 453           HG       LEU 453 115.943  10.058  -4.024
  606   1HD1  LEU 453          HD11      LEU 453 116.467  12.374  -2.181
  607   2HD1  LEU 453          HD12      LEU 453 116.381  10.653  -1.807
  608   3HD1  LEU 453          HD13      LEU 453 114.904  11.560  -2.130
  609   1HD2  LEU 453          HD21      LEU 453 115.266  12.072  -5.654
  610   2HD2  LEU 453          HD22      LEU 453 114.772  12.825  -4.150
  611   3HD2  LEU 453          HD23      LEU 453 114.063  11.290  -4.640
  612    H    ASP 454           HN       ASP 454 119.487   9.621  -7.113
  613    HA   ASP 454           HA       ASP 454 121.812  11.169  -6.651
  614   1HB   ASP 454          HB2       ASP 454 121.656   8.783  -7.565
  615   2HB   ASP 454          HB1       ASP 454 121.319   9.520  -9.128
  616    H    SER 455           HN       SER 455 120.921  13.334  -6.959
  617    HA   SER 455           HA       SER 455 119.878  14.312  -9.359
  618   1HB   SER 455          HB2       SER 455 120.574  16.539  -8.509
  619   2HB   SER 455          HB1       SER 455 119.723  15.578  -7.303
  620    HG   SER 455           HG       SER 455 121.451  15.681  -6.127
  621    H    GLY 456           HN       GLY 456 123.245  13.897  -8.359
  622   1HA   GLY 456          HA2       GLY 456 124.456  15.462 -10.355
  623   2HA   GLY 456          HA1       GLY 456 125.209  14.093  -9.545
  624    H    LEU 457           HN       LEU 457 123.649  11.978 -10.345
  625    HA   LEU 457           HA       LEU 457 124.612  11.474 -12.969
  626   1HB   LEU 457          HB2       LEU 457 122.545  10.045 -11.292
  627   2HB   LEU 457          HB1       LEU 457 123.022   9.491 -12.894
  628    HG   LEU 457           HG       LEU 457 124.932   9.907 -10.574
  629   1HD1  LEU 457          HD11      LEU 457 123.621   7.424 -11.716
  630   2HD1  LEU 457          HD12      LEU 457 123.485   8.040 -10.071
  631   3HD1  LEU 457          HD13      LEU 457 125.016   7.374 -10.639
  632   1HD2  LEU 457          HD21      LEU 457 126.468   9.895 -12.255
  633   2HD2  LEU 457          HD22      LEU 457 125.284   9.380 -13.455
  634   3HD2  LEU 457          HD23      LEU 457 126.088   8.186 -12.442
  635    H    TYR 458           HN       TYR 458 121.373  12.295 -11.738
  636    HA   TYR 458           HA       TYR 458 120.020  12.129 -14.193
  637   1HB   TYR 458          HB2       TYR 458 119.511  13.656 -11.658
  638   2HB   TYR 458          HB1       TYR 458 118.504  13.946 -13.074
  639    HD1  TYR 458           HD1      TYR 458 118.920  11.909 -10.195
  640    HD2  TYR 458           HD2      TYR 458 117.586  11.793 -14.263
  641    HE1  TYR 458           HE1      TYR 458 117.582   9.885  -9.695
  642    HE2  TYR 458           HE2      TYR 458 116.239   9.779 -13.771
  643    HH   TYR 458           HH       TYR 458 115.245   8.871 -11.012
  644    H    THR 459           HN       THR 459 121.666  14.887 -12.670
  645    HA   THR 459           HA       THR 459 120.992  16.783 -14.631
  646    HB   THR 459           HB       THR 459 123.450  16.644 -12.872
  647    HG1  THR 459           HG1      THR 459 121.027  16.828 -12.163
  648   1HG2  THR 459          HG21      THR 459 123.455  19.128 -13.244
  649   2HG2  THR 459          HG22      THR 459 122.217  18.895 -14.478
  650   3HG2  THR 459          HG23      THR 459 123.821  18.194 -14.695
  651    H    SER 460           HN       SER 460 123.838  14.644 -14.351
  652    HA   SER 460           HA       SER 460 125.229  15.595 -16.601
  653   1HB   SER 460          HB2       SER 460 125.199  12.799 -15.448
  654   2HB   SER 460          HB1       SER 460 126.432  13.468 -16.513
  655    HG   SER 460           HG       SER 460 126.676  13.521 -14.061
  656    H    LEU 461           HN       LEU 461 122.876  12.946 -16.263
  657    HA   LEU 461           HA       LEU 461 123.052  12.002 -18.900
  658   1HB   LEU 461          HB2       LEU 461 120.792  11.918 -16.894
  659   2HB   LEU 461          HB1       LEU 461 120.805  11.006 -18.404
  660    HG   LEU 461           HG       LEU 461 123.029  10.838 -16.361
  661   1HD1  LEU 461          HD11      LEU 461 120.360   9.609 -16.327
  662   2HD1  LEU 461          HD12      LEU 461 121.569   9.719 -15.050
  663   3HD1  LEU 461          HD13      LEU 461 121.666   8.426 -16.237
  664   1HD2  LEU 461          HD21      LEU 461 123.912  10.003 -18.331
  665   2HD2  LEU 461          HD22      LEU 461 122.351   9.438 -18.922
  666   3HD2  LEU 461          HD23      LEU 461 123.197   8.542 -17.660
  667    H    THR 462           HN       THR 462 120.963  14.440 -17.430
  668    HA   THR 462           HA       THR 462 119.329  14.926 -19.662
  669    HB   THR 462           HB       THR 462 120.201  16.932 -17.583
  670    HG1  THR 462           HG1      THR 462 118.995  14.671 -17.219
  671   1HG2  THR 462          HG21      THR 462 117.514  17.216 -18.386
  672   2HG2  THR 462          HG22      THR 462 118.430  17.041 -19.869
  673   3HG2  THR 462          HG23      THR 462 118.837  18.321 -18.724
  674    H    GLU 463           HN       GLU 463 122.330  16.542 -18.614
  675    HA   GLU 463           HA       GLU 463 122.419  18.464 -20.648
  676   1HB   GLU 463          HB2       GLU 463 124.709  17.067 -19.238
  677   2HB   GLU 463          HB1       GLU 463 124.875  18.506 -20.242
  678   1HG   GLU 463          HG2       GLU 463 122.947  19.401 -18.610
  679   2HG   GLU 463          HG1       GLU 463 123.663  18.210 -17.532
  680    H    ARG 464           HN       ARG 464 123.545  15.129 -20.536
  681    HA   ARG 464           HA       ARG 464 124.946  15.051 -22.951
  682   1HB   ARG 464          HB2       ARG 464 124.124  13.310 -20.839
  683   2HB   ARG 464          HB1       ARG 464 123.725  12.523 -22.361
  684   1HG   ARG 464          HG2       ARG 464 126.063  12.977 -23.134
  685   2HG   ARG 464          HG1       ARG 464 126.429  13.574 -21.511
  686   1HD   ARG 464          HD2       ARG 464 125.817  11.421 -20.561
  687   2HD   ARG 464          HD1       ARG 464 125.271  10.841 -22.115
  688    HE   ARG 464           HE       ARG 464 128.077  11.821 -21.727
  689   1HH1  ARG 464          HH21      ARG 464 125.892   9.207 -22.272
  690   2HH1  ARG 464          HH22      ARG 464 127.146   8.050 -22.574
  691   1HH2  ARG 464          HH11      ARG 464 129.722  10.337 -22.109
  692   2HH2  ARG 464          HH12      ARG 464 129.321   8.693 -22.478
  693    H    LEU 465           HN       LEU 465 121.579  14.229 -22.190
  694    HA   LEU 465           HA       LEU 465 120.932  13.249 -24.756
  695   1HB   LEU 465          HB2       LEU 465 119.223  14.347 -22.515
  696   2HB   LEU 465          HB1       LEU 465 118.558  13.617 -23.980
  697    HG   LEU 465           HG       LEU 465 120.597  12.223 -22.227
  698   1HD1  LEU 465          HD11      LEU 465 118.600  12.611 -20.880
  699   2HD1  LEU 465          HD12      LEU 465 118.696  10.906 -21.326
  700   3HD1  LEU 465          HD13      LEU 465 117.577  11.979 -22.171
  701   1HD2  LEU 465          HD21      LEU 465 120.636  10.792 -23.974
  702   2HD2  LEU 465          HD22      LEU 465 119.310  11.625 -24.778
  703   3HD2  LEU 465          HD23      LEU 465 118.970  10.366 -23.593
  704    H    VAL 466           HN       VAL 466 120.741  16.429 -23.276
  705    HA   VAL 466           HA       VAL 466 119.439  17.794 -25.390
  706    HB   VAL 466           HB       VAL 466 121.460  18.744 -23.337
  707   1HG1  VAL 466          HG11      VAL 466 121.233  20.224 -25.435
  708   2HG1  VAL 466          HG12      VAL 466 120.899  20.993 -23.890
  709   3HG1  VAL 466          HG13      VAL 466 119.567  20.489 -24.927
  710   1HG2  VAL 466          HG21      VAL 466 119.281  17.835 -22.505
  711   2HG2  VAL 466          HG22      VAL 466 118.448  19.049 -23.474
  712   3HG2  VAL 466          HG23      VAL 466 119.497  19.548 -22.147
  713    H    ALA 467           HN       ALA 467 122.875  17.165 -24.698
  714    HA   ALA 467           HA       ALA 467 123.940  18.554 -26.900
  715   1HB   ALA 467          HB1       ALA 467 125.883  17.920 -25.947
  716   2HB   ALA 467          HB2       ALA 467 125.520  16.216 -26.220
  717   3HB   ALA 467          HB3       ALA 467 124.941  17.018 -24.762
  718    H    ALA 468           HN       ALA 468 122.846  15.193 -26.525
  719    HA   ALA 468           HA       ALA 468 123.637  14.366 -29.133
  720   1HB   ALA 468          HB1       ALA 468 121.660  12.600 -28.385
  721   2HB   ALA 468          HB2       ALA 468 122.216  13.214 -26.829
  722   3HB   ALA 468          HB3       ALA 468 123.361  12.461 -27.937
  723    H    GLN 469           HN       GLN 469 120.833  15.981 -27.860
  724    HA   GLN 469           HA       GLN 469 119.000  15.338 -29.934
  725   1HB   GLN 469          HB2       GLN 469 119.185  17.577 -27.934
  726   2HB   GLN 469          HB1       GLN 469 117.921  17.554 -29.164
  727   1HG   GLN 469          HG2       GLN 469 118.440  15.146 -27.435
  728   2HG   GLN 469          HG1       GLN 469 117.400  16.453 -26.880
  729   1HE2  GLN 469          HE21      GLN 469 116.856  13.547 -27.845
  730   2HE2  GLN 469          HE22      GLN 469 115.610  13.743 -28.981
  731    H    ARG 470           HN       ARG 470 121.126  18.126 -29.412
  732    HA   ARG 470           HA       ARG 470 120.464  19.480 -31.851
  733   1HB   ARG 470          HB2       ARG 470 122.951  19.520 -30.144
  734   2HB   ARG 470          HB1       ARG 470 122.704  20.563 -31.542
  735   1HG   ARG 470          HG2       ARG 470 120.598  21.385 -30.462
  736   2HG   ARG 470          HG1       ARG 470 121.058  20.479 -29.014
  737   1HD   ARG 470          HD2       ARG 470 123.139  21.728 -28.868
  738   2HD   ARG 470          HD1       ARG 470 122.819  22.520 -30.391
  739    HE   ARG 470           HE       ARG 470 120.766  22.785 -28.294
  740   1HH1  ARG 470          HH21      ARG 470 123.583  24.074 -29.795
  741   2HH1  ARG 470          HH22      ARG 470 123.417  25.642 -29.079
  742   1HH2  ARG 470          HH11      ARG 470 120.522  24.812 -27.337
  743   2HH2  ARG 470          HH12      ARG 470 121.674  26.060 -27.677
  744    H    HIS 471           HN       HIS 471 123.370  17.771 -30.867
  745    HA   HIS 471           HA       HIS 471 124.372  17.306 -33.470
  746   1HB   HIS 471          HB2       HIS 471 124.846  16.199 -30.737
  747   2HB   HIS 471          HB1       HIS 471 125.303  15.168 -32.077
  748    HD1  HIS 471           HD1      HIS 471 127.449  16.173 -30.245
  749    HD2  HIS 471           HD2      HIS 471 126.338  18.250 -33.689
  750    HE1  HIS 471           HE1      HIS 471 129.441  17.578 -30.910