*HEADER    HIV-INACTIVATING PROTEIN                06-MAY-98   2EZM              
*TITLE     SOLUTION NMR STRUCTURE OF CYANOVIRIN-N, RESTRAINED                    
*TITLE    2 REGULARIZED MEAN COORDINATES                                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CYANOVIRIN-N;                                              
*COMPND   3 CHAIN: NULL                                                          
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: NOSTOC ELLIPSOSPORUM;                           
*SOURCE   3 ORGANISM_COMMON: CYANOBACTERIUM                                      
*KEYWDS    HIV-INACTIVATING PROTEIN                                              
*EXPDTA    NMR, RESTRAINED REGULARIZED MEAN STRUCTURE                            
*AUTHOR    C.A.BEWLEY, A.M.GRONENBORN, G.M.CLORE                                 
*REVDAT   1   11-MAY-99 2EZM    0       

A. DISTANCE RESTRAINTS

assign (resid 1 and name HB#)(resid 2 and name HA#) 4.0 2.2 2.0
assign (resid 1 and name HB#)(resid 2 and name HN) 3.0 1.2 1.0
assign (resid 1 and name HA)(resid 2 and name HN) 3.0 1.2 0.5
assign (resid 1 and name HD1#)(resid 2 and name HN) 4.0 2.2 1.5
assign (resid 1 and name HD2#)(resid 2 and name HN) 4.0 2.2 1.5
assign (resid 1 and name HG)(resid 2 and name HN) 4.0 2.2 1.0
assign (resid 2 and name HA#)(resid 3 and name HN) 4.0 2.2 1.0
assign (resid 3 and name HN)(resid 4 and name HN) 4.0 2.2 1.0
assign (resid 3 and name HA)(resid 4 and name HN) 4.0 2.2 1.0
assign (resid 4 and name HN)(resid 5 and name HN) 4.0 2.2 1.0
assign (resid 4 and name HA)(resid 5 and name HN) 4.0 2.2 1.0
assign (resid 4 and name HN)(resid 5 and name HB#) 4.0 2.2 2.0
assign (resid 4 and name HE#)(resid 5 and name HN) 4.0 2.2 2.0
assign (resid 5 and name HB#)(resid 6 and name HN) 4.0 2.2 2.0
assign (resid 5 and name HN)(resid 6 and name HN) 4.0 2.2 2.0
assign (resid 6 and name HB#)(resid 7 and name HG2#) 4.0 2.2 1.0
assign (resid 6 and name HA)(resid 7 and name HG2#) 4.0 2.2 2.5
assign (resid 6 and name HN)(resid 7 and name HN) 4.0 2.2 1.0
assign (resid 6 and name HA)(resid 7 and name HN) 4.0 2.2 2.0
assign (resid 6 and name HG#)(resid 7 and name HN) 4.0 2.2 1.0
assign (resid 6 and name HB#)(resid 7 and name HN) 4.0 2.2 1.0
assign (resid 6 and name HB#)(resid 7 and name HG2#) 4.0 2.2 1.5
assign (resid 6 and name HG#)(resid 7 and name HG2#) 4.0 2.2 2.5
assign (resid 7 and name HN)(resid 8 and name HN) 3.0 1.2 0.5
assign (resid 7 and name HA)(resid 8 and name HN) 4.0 2.2 1.0
assign (resid 7 and name HG2#)(resid 8 and name HN) 4.0 2.2 2.5
assign (resid 8 and name HB#)(resid 9 and name HN) 4.0 2.2 1.0
assign (resid 8 and name HN)(resid 9 and name HN) 4.0 2.2 1.0
assign (resid 8 and name HA)(resid 9 and name HN) 3.0 1.2 0.5
assign (resid 8 and name HA)(resid 9 and name HD#) 4.0 2.2 1.0
assign (resid 8 and name HN)(resid 9 and name HD#) 4.0 2.2 2.0
assign (resid 9 and name HD#)(resid 10 and name HB#) 4.0 2.2 2.0
assign (resid 9 and name HD#)(resid 10 and name HA) 4.0 2.2 2.0
assign (resid 9 and name HA)(resid 10 and name HN) 3.0 1.2 0.5
assign (resid 9 and name HB#)(resid 10 and name HN) 3.0 1.2 0.5
assign (resid 9 and name HN)(resid 10 and name HN) 4.0 2.2 2.0
assign (resid 9 and name hd#)(resid 10 and name hn) 2.5 0.7 0.2
assign (resid 9 and name hd#)(resid 8 and name ha) 4.0 2.2 1.0
assign (resid 10 and name HN)(resid 11 and name HN) 3.0 1.2 0.5
assign (resid 10 and name HA)(resid 11 and name HN) 3.0 1.2 0.5
assign (resid 10 and name HB#)(resid 11 and name HN) 4.0 2.2 1.0
assign (resid 11 and name HA)(resid 12 and name HB#) 4.0 2.2 1.5
assign (resid 11 and name HN)(resid 12 and name HN) 4.0 2.2 2.0
assign (resid 11 and name HA)(resid 12 and name HN) 3.0 1.2 0.5
assign (resid 11 and name HB#)(resid 12 and name HN) 4.0 2.2 1.0
assign (resid 12 and name HA)(resid 13 and name HG#) 4.0 2.2 2.0
assign (resid 12 and name HB#)(resid 13 and name HG2#) 4.0 2.2 2.0
assign (resid 12 and name HB#)(resid 13 and name HA) 4.0 2.2 1.5
assign (resid 12 and name HN)(resid 13 and name HN) 4.0 2.2 2.0
assign (resid 12 and name HA)(resid 13 and name HN) 2.5 0.7 0.4
assign (resid 12 and name HB#)(resid 13 and name HN) 3.0 1.2 1.0
assign (resid 13 and name HG2#)(resid 14 and name HA) 4.0 2.2 1.5
assign (resid 13 and name HB)(resid 14 and name HN) 4.0 2.2 2.0
assign (resid 13 and name HA)(resid 14 and name HN) 2.5 0.7 0.4
assign (resid 13 and name HG2#)(resid 14 and name HN) 3.0 1.2 1.0
assign (resid 13 and name HG#)(resid 14 and name HN) 4.0 2.2 2.0
assign (resid 13 and name HD#)(resid 14 and name HN) 4.0 2.2 1.5
assign (resid 13 and name HD1#)(resid 14 and name HN) 4.0 2.2 1.5
assign (resid 14 and name HA)(resid 15 and name HN) 3.0 1.2 0.5
assign (resid 14 and name HB#)(resid 15 and name HN) 4.0 2.2 2.0
assign (resid 14 and name HG#)(resid 15 and name HA#) 4.0 2.2 2.5
assign (resid 14 and name HG#)(resid 15 and name HN) 4.0 2.2 1.5
assign (resid 14 and name HN)(resid 15 and name HN) 4.0 2.2 1.0
assign (resid 15 and name HN)(resid 16 and name HN) 4.0 2.2 2.0
assign (resid 15 and name HA#)(resid 16 and name HN) 2.5 0.7 0.4
assign (resid 16 and name HN)(resid 17 and name HN) 3.0 1.2 0.8
assign (resid 16 and name HN)(resid 17 and name HG#) 4.0 2.2 1.5
assign (resid 16 and name HN)(resid 17 and name HB) 4.0 2.2 2.0
assign (resid 16 and name HA)(resid 17 and name HN) 4.0 2.2 1.0
assign (resid 17 and name HN)(resid 18 and name HN) 4.0 2.2 2.0
assign (resid 17 and name HG#)(resid 18 and name HN) 3.0 1.2 1.0
assign (resid 17 and name HA)(resid 18 and name HN) 3.0 1.2 0.5
assign (resid 17 and name HB)(resid 18 and name HN) 4.0 2.2 2.0
assign (resid 18 and name HA)(resid 19 and name HN) 2.5 0.7 0.4
assign (resid 18 and name HB#)(resid 19 and name HN) 4.0 2.2 2.5
assign (resid 18 and name HG)(resid 19 and name HG2#) 4.0 2.2 2.5
assign (resid 18 and name HD1#)(resid 19 and name HN) 4.0 2.2 2.5
assign (resid 18 and name HN)(resid 19 and name HN) 4.0 2.2 2.0
assign (resid 19 and name HN)(resid 20 and name HN) 4.0 2.2 1.0
assign (resid 19 and name HG2#)(resid 20 and name HN) 3.0 1.2 1.2
assign (resid 19 and name HA)(resid 20 and name HN) 2.5 0.7 0.4
assign (resid 20 and name HB#)(resid 21 and name HN) 4.0 2.2 1.0
assign (resid 20 and name HA)(resid 21 and name HN) 3.0 1.2 0.5
assign (resid 21 and name HN)(resid 22 and name HB#) 4.0 2.2 2.0
assign (resid 21 and name HN)(resid 22 and name HN) 4.0 2.2 2.0
assign (resid 21 and name HG2#)(resid 22 and name HN) 3.0 1.2 1.0
assign (resid 21 and name HB)(resid 22 and name HN) 4.0 2.2 2.0
assign (resid 21 and name HA)(resid 22 and name HN) 3.0 1.2 0.5
assign (resid 22 and name HA)(resid 23 and name HN) 3.0 1.2 0.5
assign (resid 22 and name HB#)(resid 23 and name HN) 4.0 2.2 1.0
assign (resid 23 and name HG#)(resid 24 and name HN) 3.0 1.2 0.5
assign (resid 24 and name HN)(resid 25 and name HN) 4.0 2.2 2.0
assign (resid 24 and name HD#)(resid 25 and name HN) 4.0 2.2 2.5
assign (resid 24 and name HA)(resid 25 and name HN) 3.0 1.2 0.5
assign (resid 24 and name HB#)(resid 25 and name HN) 3.0 1.2 0.5
assign (resid 24 and name HB#)(resid 25 and name HN) 4.0 2.2 1.0
assign (resid 25 and name HN)(resid 26 and name HN) 4.0 2.2 1.0
assign (resid 25 and name HB)(resid 26 and name HN) 3.0 1.2 0.5
assign (resid 25 and name HG2#)(resid 26 and name HN) 4.0 2.2 1.5
assign (resid 25 and name HA)(resid 26 and name HN) 3.0 1.2 0.5
assign (resid 26 and name HN)(resid 27 and name HN) 4.0 2.2 2.0
assign (resid 26 and name HN)(resid 27 and name HN) 4.0 2.2 2.0
assign (resid 26 and name HA)(resid 27 and name HN) 4.0 2.2 1.0
assign (resid 27 and name HN)(resid 28 and name HN) 4.0 2.2 1.0
assign (resid 27 and name HA#)(resid 28 and name HN) 3.0 1.2 0.5
assign (resid 28 and name HA#)(resid 29 and name HD#) 4.0 2.2 1.0
assign (resid 28 and name HN)(resid 29 and name HN) 4.0 2.2 1.0
assign (resid 28 and name HN)(resid 29 and name HD#) 4.0 2.2 2.0
assign (resid 28 and name HN)(resid 29 and name HE#) 4.0 2.2 2.0
assign (resid 28 and name HA#)(resid 29 and name HN) 2.5 0.7 0.4
assign (resid 29 and name HD#)(resid 30 and name HN) 4.0 2.2 1.5
assign (resid 29 and name HB#)(resid 30 and name HN) 4.0 2.2 1.0
assign (resid 29 and name HN)(resid 30 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 30 and name HA)(resid 31 and name HN) 4.0 2.2 1.5
assign (resid 30 and name HN)(resid 31 and name HN) 4.0 2.2 2.0
assign (resid 30 and name HB#)(resid 31 and name HN) 4.0 2.2 2.0
assign (resid 30 and name HB#)(resid 31 and name HN) 4.0 2.2 1.0
assign (resid 31 and name HA)(resid 32 and name HN) 3.0 1.2 0.5
assign (resid 31 and name HG2#)(resid 32 and name HN) 3.0 1.2 1.0
assign (resid 31 and name HB)(resid 32 and name HN) 4.0 2.2 1.0
assign (resid 31 and name HG2#)(resid 32 and name HA) 4.0 2.2 2.5
assign (resid 32 and name HN)(resid 33 and name HN) 4.0 2.2 2.0
assign (resid 32 and name HB#)(resid 33 and name HN) 4.0 2.2 1.0
assign (resid 32 and name HA)(resid 33 and name HN) 3.0 1.2 0.5
assign (resid 32 and name HB#)(resid 33 and name HN) 3.0 1.2 0.5
assign (resid 33 and name HA)(resid 34 and name HG2#) 4.0 2.2 2.5
assign (resid 33 and name HA)(resid 34 and name HN) 3.0 1.2 0.5
assign (resid 33 and name HN)(resid 34 and name HN) 4.0 2.2 2.0
assign (resid 33 and name HB#)(resid 34 and name HN) 4.0 2.2 1.0
assign (resid 34 and name HA)(resid 35 and name HN) 2.5 0.7 0.4
assign (resid 34 and name HD#)(resid 35 and name HN) 4.0 2.2 1.5
assign (resid 34 and name HB)(resid 35 and name HN) 4.0 2.2 1.0
assign (resid 34 and name HG#)(resid 35 and name HN) 3.0 1.2 1.0
assign (resid 35 and name HA)(resid 36 and name HN) 3.0 1.2 0.5
assign (resid 36 and name HN)(resid 37 and name HN) 4.0 2.2 1.0
assign (resid 36 and name HA)(resid 37 and name HN) 4.0 2.2 1.0
assign (resid 36 and name HG)(resid 37 and name HN) 4.0 2.2 2.0
assign (resid 37 and name HN)(resid 38 and name HN) 4.0 2.2 1.0
assign (resid 37 and name HB#)(resid 38 and name HN) 4.0 2.2 2.0
assign (resid 37 and name HA)(resid 38 and name HN) 4.0 2.2 1.0
assign (resid 38 and name HA)(resid 39 and name HG#) 4.0 2.2 2.5
assign (resid 38 and name HB#)(resid 39 and name HG#) 3.0 1.2 0.8
assign (resid 38 and name HN)(resid 39 and name HN) 4.0 2.2 2.0
assign (resid 38 and name HN)(resid 39 and name HG#) 4.0 2.2 2.5
assign (resid 38 and name HB#)(resid 39 and name HG#) 4.0 2.2 1.5
assign (resid 38 and name HB#)(resid 39 and name HN) 4.0 2.2 1.0
assign (resid 39 and name HG2#)(resid 40 and name HG1#) 3.0 1.2 0.3
assign (resid 39 and name HG2#)(resid 40 and name HG2#) 4.0 2.2 2.5
assign (resid 39 and name HG2#)(resid 40 and name HD#) 4.0 2.2 1.5
assign (resid 39 and name HG2#)(resid 40 and name HB) 4.0 2.2 1.5
assign (resid 39 and name HA)(resid 40 and name HN) 4.0 2.2 2.0
assign (resid 39 and name HN)(resid 40 and name HN) 4.0 2.2 1.0
assign (resid 39 and name HG2#)(resid 40 and name HN) 4.0 2.2 1.5
assign (resid 39 and name HG2#)(resid 40 and name HN) 4.0 2.2 1.5
assign (resid 40 and name HA)(resid 41 and name HN) 3.0 1.2 0.5
assign (resid 40 and name HN)(resid 41 and name HN) 4.0 2.2 2.0
assign (resid 40 and name HN)(resid 41 and name HA) 4.0 2.2 2.0
assign (resid 40 and name HG2#)(resid 41 and name HA) 3.0 1.2 0.8
assign (resid 40 and name HG2#)(resid 41 and name HN) 3.0 1.2 1.0
assign (resid 40 and name HG#)(resid 41 and name HN) 4.0 2.2 2.5
assign (resid 41 and name HN)(resid 42 and name HN) 4.0 2.2 2.0
assign (resid 41 and name HA)(resid 42 and name HN) 3.0 1.2 0.5
assign (resid 41 and name HG#)(resid 42 and name HN) 4.0 2.2 1.5
assign (resid 41 and name HB#)(resid 42 and name HN) 4.0 2.2 1.0
assign (resid 42 and name HB#)(resid 43 and name HN) 4.0 2.2 2.0
assign (resid 42 and name HA)(resid 43 and name HN) 3.0 1.2 0.5
assign (resid 42 and name HB#)(resid 43 and name HN) 4.0 2.2 2.0
assign (resid 42 and name HN)(resid 43 and name HN) 4.0 2.2 2.0
assign (resid 43 and name HA)(resid 44 and name HN) 2.5 0.7 0.4
assign (resid 43 and name HG1#)(resid 44 and name HN) 4.0 2.2 1.5
assign (resid 43 and name HB)(resid 44 and name HN) 4.0 2.2 2.0
assign (resid 43 and name HN)(resid 44 and name HN) 4.0 2.2 1.0
assign (resid 43 and name HG#)(resid 44 and name HB#) 3.0 1.2 0.8
assign (resid 44 and name HN)(resid 45 and name HN) 4.0 2.2 1.0
assign (resid 44 and name HA)(resid 45 and name HN) 3.0 1.2 0.5
assign (resid 45 and name HA#)(resid 46 and name HN) 4.0 2.2 2.0
assign (resid 45 and name HN)(resid 46 and name HN) 4.0 2.2 1.0
assign (resid 45 and name HA#)(resid 46 and name HN) 4.0 2.2 1.0
assign (resid 46 and name HA)(resid 47 and name HN) 3.0 1.2 0.5
assign (resid 46 and name HN)(resid 47 and name HN) 4.0 2.2 2.0
assign (resid 46 and name HB#)(resid 47 and name HN) 4.0 2.2 2.0
assign (resid 47 and name HD2#)(resid 48 and name HN) 4.0 2.2 1.5
assign (resid 47 and name HA)(resid 48 and name HN) 3.0 1.2 0.5
assign (resid 47 and name HB#)(resid 48 and name HN) 4.0 2.2 2.0
assign (resid 47 and name HN)(resid 48 and name HN) 4.0 2.2 2.0
assign (resid 48 and name HB#)(resid 49 and name HN) 3.0 1.2 0.8
assign (resid 48 and name HD#)(resid 49 and name HN) 4.0 2.2 2.0
assign (resid 48 and name HA)(resid 49 and name HN) 2.5 0.7 0.4
assign (resid 48 and name HB#)(resid 49 and name HN) 3.0 1.2 0.5
assign (resid 49 and name HB#)(resid 50 and name HN) 4.0 2.2 2.0
assign (resid 49 and name HE3)(resid 50 and name HN) 4.0 2.2 2.5
assign (resid 49 and name HA)(resid 50 and name HN) 2.5 0.7 0.4
assign (resid 49 and name HN)(resid 50 and name HN) 4.0 2.2 1.0
assign (resid 50 and name HA)(resid 51 and name HD#) 3.0 1.2 0.3
assign (resid 51 and name HA)(resid 52 and name HA) 4.0 2.2 1.0
assign (resid 51 and name HA)(resid 52 and name HB#) 4.0 2.2 1.0
assign (resid 51 and name HB#)(resid 52 and name HA) 4.0 2.2 1.0
assign (resid 51 and name HB#)(resid 52 and name HB#) 4.0 2.2 2.0
assign (resid 51 and name HB#)(resid 52 and name HN) 4.0 2.2 2.0
assign (resid 52 and name HA)(resid 53 and name HN) 3.0 1.2 0.5
assign (resid 52 and name HB#)(resid 53 and name HN) 4.0 2.2 1.0
assign (resid 53 and name HN)(resid 54 and name HN) 4.0 2.2 1.0
assign (resid 53 and name HA)(resid 54 and name HN) 4.0 2.2 1.0
assign (resid 54 and name HD#)(resid 55 and name HD1#) 4.0 2.2 2.5
assign (resid 54 and name HE#)(resid 55 and name HD1#) 4.0 2.2 2.5
assign (resid 54 and name HA)(resid 55 and name HN) 4.0 2.2 2.0
assign (resid 54 and name HN)(resid 55 and name HG2#) 4.0 2.2 2.5
assign (resid 55 and name HG1#)(resid 56 and name HA) 4.0 2.2 2.5
assign (resid 55 and name HG1#)(resid 56 and name HB#) 4.0 2.2 2.5
assign (resid 55 and name HG1#)(resid 56 and name HG#) 4.0 2.2 2.5
assign (resid 55 and name HG2#)(resid 56 and name HA) 4.0 2.2 1.5
assign (resid 55 and name HG2#)(resid 56 and name HB#) 3.0 1.2 0.8
assign (resid 55 and name HG2#)(resid 56 and name HG#) 4.0 2.2 1.5
assign (resid 55 and name HG#)(resid 56 and name HN) 3.0 1.2 1.0
assign (resid 55 and name HG#)(resid 56 and name HB#) 3.0 1.2 0.8
assign (resid 55 and name HG#)(resid 56 and name HA) 3.0 1.2 0.8
assign (resid 56 and name HA)(resid 57 and name HN) 4.0 2.2 1.0
assign (resid 56 and name HB#)(resid 57 and name HG2#) 3.0 1.2 1.0
assign (resid 56 and name HB#)(resid 57 and name HN) 3.0 1.2 0.5
assign (resid 56 and name HN)(resid 57 and name HN) 4.0 2.2 1.0
assign (resid 56 and name HN)(resid 57 and name HG2#) 4.0 2.2 2.5
assign (resid 56 and name HG#)(resid 57 and name HG2#) 4.0 2.2 1.5
assign (resid 57 and name HN)(resid 58 and name HN) 4.0 2.2 1.0
assign (resid 57 and name HA)(resid 58 and name HN) 4.0 2.2 1.0
assign (resid 57 and name HG2#)(resid 58 and name HN) 4.0 2.2 2.5
assign (resid 57 and name HB)(resid 58 and name HN) 4.0 2.2 2.0
assign (resid 58 and name HB#)(resid 59 and name HN) 4.0 2.2 1.0
assign (resid 58 and name HB#)(resid 59 and name HN) 4.0 2.2 1.0
assign (resid 58 and name HA)(resid 59 and name HN) 3.0 1.2 0.5
assign (resid 58 and name HA)(resid 59 and name HA) 4.0 2.2 2.0
assign (resid 59 and name HN)(resid 60 and name HN) 4.0 2.2 2.0
assign (resid 59 and name HG#)(resid 60 and name HN) 4.0 2.2 2.0
assign (resid 59 and name HB#)(resid 60 and name HN) 3.0 1.2 0.5
assign (resid 59 and name HA)(resid 60 and name HN) 3.0 1.2 0.5
assign (resid 60 and name HN)(resid 61 and name HN) 3.0 1.2 0.5
assign (resid 60 and name HA)(resid 61 and name HN) 3.0 1.2 0.5
assign (resid 60 and name HA)(resid 61 and name HG2#) 4.0 2.2 2.5
assign (resid 60 and name HB#)(resid 61 and name HN) 4.0 2.2 2.0
assign (resid 61 and name HG2#)(resid 62 and name HN) 4.0 2.2 1.5
assign (resid 61 and name HB)(resid 62 and name HN) 3.0 1.2 0.5
assign (resid 61 and name HA)(resid 62 and name HN) 2.5 0.7 0.4
assign (resid 61 and name HN)(resid 62 and name HN) 4.0 2.2 2.0
assign (resid 61 and name HB)(resid 62 and name HA) 4.0 2.2 2.0
assign (resid 61 and name HA)(resid 62 and name HA) 4.0 2.2 2.0
assign (resid 62 and name HA)(resid 63 and name HN) 2.5 0.7 0.4
assign (resid 62 and name HN)(resid 63 and name HN) 4.0 2.2 2.0
assign (resid 62 and name HB#)(resid 63 and name HN) 4.0 2.2 1.0
assign (resid 62 and name HB#)(resid 63 and name HN) 3.0 1.2 0.5
assign (resid 63 and name HN)(resid 64 and name HN) 4.0 2.2 2.0
assign (resid 63 and name HA)(resid 64 and name HN) 2.5 0.7 0.4
assign (resid 63 and name HA)(resid 64 and name HB#) 4.0 2.2 2.0
assign (resid 63 and name HB#)(resid 64 and name HN) 4.0 2.2 1.0
assign (resid 63 and name HG)(resid 64 and name HN) 4.0 2.2 1.0
assign (resid 63 and name HD1#)(resid 64 and name HA) 4.0 2.2 2.5
assign (resid 63 and name HD1#)(resid 64 and name HN) 3.0 1.2 1.0
assign (resid 63 and name HD2#)(resid 64 and name HN) 4.0 2.2 1.5
assign (resid 64 and name HN)(resid 65 and name HN) 4.0 2.2 2.0
assign (resid 64 and name HA)(resid 65 and name HN) 2.5 0.7 0.4
assign (resid 64 and name HB#)(resid 65 and name HN) 3.0 1.2 1.0
assign (resid 65 and name HN)(resid 66 and name HN) 4.0 2.2 1.0
assign (resid 65 and name HA#)(resid 66 and name HN) 2.5 0.7 0.4
assign (resid 66 and name HB#)(resid 67 and name HN) 4.0 2.2 1.0
assign (resid 66 and name HA)(resid 67 and name HN) 4.0 2.2 1.0
assign (resid 66 and name HB#)(resid 67 and name HB#) 4.0 2.2 2.0
assign (resid 67 and name HA)(resid 68 and name HN) 4.0 2.2 1.0
assign (resid 67 and name HN)(resid 68 and name HN) 3.0 1.2 0.5
assign (resid 67 and name HB#)(resid 68 and name HN) 4.0 2.2 2.0
assign (resid 67 and name HN)(resid 68 and name HG#) 4.0 2.2 1.0
assign (resid 67 and name HN)(resid 68 and name HA) 4.0 2.2 2.0
assign (resid 68 and name HN)(resid 69 and name HN) 4.0 2.2 2.0
assign (resid 68 and name HB#)(resid 69 and name HN) 4.0 2.2 1.0
assign (resid 68 and name HA)(resid 69 and name HN) 2.5 0.7 0.4
assign (resid 68 and name HG#)(resid 69 and name HN) 4.0 2.2 2.0
assign (resid 69 and name HN)(resid 70 and name HN) 4.0 2.2 1.0
assign (resid 69 and name HA)(resid 70 and name HN) 2.5 0.7 0.4
assign (resid 69 and name HB#)(resid 70 and name HN) 4.0 2.2 2.0
assign (resid 69 and name HD1#)(resid 70 and name HN) 3.0 1.2 1.0
assign (resid 69 and name HD2#)(resid 70 and name HN) 4.0 2.2 2.5
assign (resid 69 and name HD1#)(resid 70 and name HB#) 4.0 2.2 2.0
assign (resid 69 and name HG)(resid 70 and name HN) 4.0 2.2 1.0
assign (resid 70 and name HN)(resid 71 and name HA) 4.0 2.2 2.0
assign (resid 70 and name HN)(resid 71 and name HN) 4.0 2.2 2.0
assign (resid 70 and name HB#)(resid 71 and name HN) 3.0 1.2 1.0
assign (resid 70 and name HA)(resid 71 and name HN) 2.5 0.7 0.4
assign (resid 70 and name HA)(resid 71 and name HB#) 4.0 2.2 2.5
assign (resid 71 and name HN)(resid 72 and name HN) 4.0 2.2 1.0
assign (resid 71 and name HB#)(resid 72 and name HN) 3.0 1.2 1.0
assign (resid 71 and name HA)(resid 72 and name HN) 3.0 1.2 0.5
assign (resid 71 and name HB#)(resid 72 and name HB#) 4.0 2.2 2.5
assign (resid 72 and name HA)(resid 73 and name HN) 3.0 1.2 0.5
assign (resid 72 and name HG#)(resid 73 and name HN) 4.0 2.2 2.0
assign (resid 72 and name HN)(resid 73 and name HN) 4.0 2.2 2.0
assign (resid 73 and name HN)(resid 74 and name HN) 4.0 2.2 2.0
assign (resid 73 and name HB#)(resid 74 and name HN) 4.0 2.2 1.0
assign (resid 73 and name HA)(resid 74 and name HN) 3.0 1.2 0.5
assign (resid 73 and name HB#)(resid 74 and name HN) 4.0 2.2 1.0
assign (resid 74 and name HA)(resid 75 and name HG2#) 4.0 2.2 1.5
assign (resid 74 and name HN)(resid 75 and name HN) 4.0 2.2 2.0
assign (resid 74 and name HA)(resid 75 and name HN) 3.0 1.2 0.5
assign (resid 74 and name HG#)(resid 75 and name HN) 4.0 2.2 1.0
assign (resid 74 and name HB#)(resid 75 and name HN) 4.0 2.2 1.0
assign (resid 75 and name HB)(resid 76 and name HN) 3.0 1.2 0.5
assign (resid 75 and name HA)(resid 76 and name HN) 3.0 1.2 0.5
assign (resid 75 and name HN)(resid 76 and name HN) 4.0 2.2 2.0
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assign (resid 4 and name HE#)(resid 18 and name HD2#) 3.0 1.2 0.8
assign (resid 4 and name HZ)(resid 18 and name HD2#) 3.0 1.2 0.8
assign (resid 4 and name he#)(resid 11 and name hb#) 3.0 1.2 0.5
assign (resid 4 and name he#)(resid 20 and name hb#) 3.0 1.2 0.5
assign (resid 4 and name HZ)(resid 63 and name HD#) 4.0 2.2 1.0
assign (resid 4 and name HE#)(resid 63 and name HD#) 4.0 2.2 1.5
assign (resid 4 and name HE#)(resid 67 and name HA) 4.0 2.2 2.0
assign (resid 4 and name HE#)(resid 67 and name HB1) 4.0 2.2 2.0
assign (resid 4 and name HE#)(resid 67 and name HB2) 4.0 2.2 2.0
assign (resid 4 and name HZ)(resid 67 and name HB#) 4.0 2.2 2.0
assign (resid 4 and name HZ)(resid 67 and name HA) 4.0 2.2 2.0
assign (resid 4 and name HE#)(resid 87 and name HB#) 4.0 2.2 2.0
assign (resid 4 and name HE#)(resid 87 and name HD1#) 4.0 2.2 1.5
assign (resid 4 and name HE#)(resid 87 and name HN) 4.0 2.2 2.0
assign (resid 4 and name HZ)(resid 87 and name HD1#) 4.0 2.2 2.5
assign (resid 4 and name HD#)(resid 88 and name HA) 4.0 2.2 2.0
assign (resid 4 and name HN)(resid 88 and name HA) 4.0 2.2 1.0
assign (resid 4 and name HN)(resid 88 and name HB#) 4.0 2.2 2.0
assign (resid 4 and name HE#)(resid 88 and name HN) 4.0 2.2 2.0
assign (resid 4 and name HE#)(resid 91 and name HG2#) 4.0 2.2 1.5
assign (resid 4 and name HA)(resid 91 and name HG2#) 4.0 2.2 2.5
assign (resid 4 and name HB#)(resid 91 and name HG2#) 4.0 2.2 2.0
assign (resid 4 and name HN)(resid 91 and name HG2#) 4.0 2.2 2.5
assign (resid 4 and name HE#)(resid 91 and name HB) 4.0 2.2 2.0
assign (resid 4 and name HE#)(resid 91 and name HD1#) 4.0 2.2 1.5
assign (resid 4 and name HD#)(resid 91 and name HB) 4.0 2.2 2.0
assign (resid 4 and name HD#)(resid 91 and name HG2#) 4.0 2.2 2.5
assign (resid 4 and name HA)(resid 92 and name HA) 4.0 2.2 1.0
assign (resid 4 and name HB#)(resid 92 and name HA) 4.0 2.2 2.0
assign (resid 4 and name HN)(resid 92 and name HA) 4.0 2.2 1.0
assign (resid 4 and name HA)(resid 93 and name HB#) 4.0 2.2 1.0
assign (resid 4 and name HA)(resid 93 and name HN) 4.0 2.2 1.0
assign (resid 4 and name HB#)(resid 93 and name HN) 4.0 2.2 2.0
assign (resid 4 and name HB#)(resid 93 and name HB#) 4.0 2.2 2.5
assign (resid 4 and name HN)(resid 93 and name HN) 4.0 2.2 2.0
assign (resid 4 and name HA)(resid 98 and name HD2#) 4.0 2.2 1.5
assign (resid 5 and name HN)(resid 88 and name HA) 4.0 2.2 2.0
assign (resid 5 and name HB#)(resid 66 and name HB#) 3.0 1.2 0.3
assign (resid 5 and name hb#)(resid 67 and name hb#) 3.0 1.2 0.3
assign (resid 7 and name HB)(resid 23 and name HN) 4.0 2.2 1.0
assign (resid 8 and name HB#)(resid 21 and name HN) 4.0 2.2 2.0
assign (resid 8 and name HA)(resid 22 and name HA) 3.0 1.2 0.3
assign (resid 8 and name HA)(resid 22 and name HB#) 4.0 2.2 2.0
assign (resid 8 and name HB#)(resid 22 and name HA) 4.0 2.2 1.0
assign (resid 8 and name HN)(resid 22 and name HA) 4.0 2.2 2.0
assign (resid 8 and name HB#)(resid 23 and name HN) 4.0 2.2 2.0
assign (resid 8 and name HA)(resid 23 and name HN) 4.0 2.2 1.0
assign (resid 8 and name HA)(resid 29 and name HE#) 4.0 2.2 1.0
assign (resid 8 and name HA)(resid 29 and name HD#) 4.0 2.2 1.0
assign (resid 9 and name HD#)(resid 21 and name HB) 4.0 2.2 1.0
assign (resid 9 and name HE#)(resid 21 and name HG2#) 2.5 0.7 0.7
assign (resid 9 and name HE#)(resid 21 and name HB) 4.0 2.2 1.0
assign (resid 9 and name HN)(resid 21 and name HN) 4.0 2.2 1.0
assign (resid 9 and name HN)(resid 21 and name HB) 4.0 2.2 1.0
assign (resid 9 and name HN)(resid 21 and name HG2#) 4.0 2.2 2.5
assign (resid 9 and name HN)(resid 22 and name HA) 4.0 2.2 1.0
assign (resid 9 and name HD#)(resid 22 and name HA) 4.0 2.2 1.0
assign (resid 9 and name HE#)(resid 29 and name HE#) 3.0 1.2 0.3
assign (resid 9 and name HN)(resid 23 and name HN) 4.0 2.2 2.0
assign (resid 9 and name hd#)(resid 22 and name ha) 4.0 2.2 1.0
assign (resid 10 and name HB#)(resid 21 and name HB) 4.0 2.2 1.0
assign (resid 11 and name HA)(resid 18 and name HD1#) 4.0 2.2 2.5
assign (resid 11 and name HB#)(resid 18 and name HD1#) 4.0 2.2 1.5
assign (resid 11 and name HA)(resid 20 and name HA) 3.0 1.2 0.5
assign (resid 11 and name HN)(resid 20 and name HA) 4.0 2.2 2.0
assign (resid 11 and name HA)(resid 21 and name HN) 3.0 1.2 1.0
assign (resid 11 and name HA)(resid 63 and name HD1#) 4.0 2.2 2.5
assign (resid 11 and name HA)(resid 63 and name HD2#) 4.0 2.2 1.5
assign (resid 11 and name HB#)(resid 63 and name HD2#) 3.0 1.2 1.0
assign (resid 11 and name HB#)(resid 63 and name HD1#) 2.5 0.7 0.7
assign (resid 11 and name ha)(resid 20 and name hb#) 3.0 1.2 0.3
assign (resid 11 and name hb#)(resid 20 and name hb#) 3.0 1.2 0.3
assign (resid 12 and name HB#)(resid 18 and name HD1#) 4.0 2.2 2.5
assign (resid 12 and name HN)(resid 18 and name HA) 4.0 2.2 2.0
assign (resid 12 and name HN)(resid 18 and name HD1#) 3.0 1.2 1.0
assign (resid 12 and name HB#)(resid 19 and name HB) 3.0 1.2 0.8
assign (resid 12 and name HB#)(resid 19 and name HG2#) 4.0 2.2 2.0
assign (resid 12 and name HN)(resid 19 and name HN) 4.0 2.2 1.0
assign (resid 12 and name HN)(resid 19 and name HG2#) 4.0 2.2 1.5
assign (resid 12 and name HB#)(resid 19 and name HN) 4.0 2.2 1.5
assign (resid 12 and name HN)(resid 20 and name HA) 4.0 2.2 1.0
assign (resid 12 and name hn) ((resid 20 or resid 21) and name hn) 4.0 2.2 2.0 
assign (resid 12 and name hn)(resid 20 and name hb#) 3.0 1.2 0.5
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assign (resid 12 and name HA)(resid 63 and name HD1#) 3.0 1.2 1.0
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assign (resid 12 and name HB#)(resid 63 and name HB#) 4.0 2.2 2.0
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assign (resid 13 and name HD1#)(resid 19 and name HN) 4.0 2.2 2.5
assign (resid 13 and name HA)(resid 19 and name HN) 4.0 2.2 1.0
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assign (resid 13 and name HG2#)(resid 61 and name HA) 4.0 2.2 1.5
assign (resid 13 and name HG2#)(resid 61 and name HG2#) 3.0 1.2 1.3
assign (resid 13 and name HB)(resid 62 and name HA) 3.0 1.2 0.3
assign (resid 13 and name HG2#)(resid 62 and name HA) 3.0 1.2 0.8
assign (resid 13 and name HN)(resid 62 and name HA) 4.0 2.2 1.0
assign (resid 13 and name HB)(resid 63 and name HB#) 4.0 2.2 1.0
assign (resid 13 and name HB)(resid 63 and name HN) 3.0 1.2 0.5
assign (resid 13 and name HG1#)(resid 63 and name HD1#) 4.0 2.2 1.5
assign (resid 13 and name HG1#)(resid 63 and name HN) 4.0 2.2 2.5
assign (resid 13 and name HG2#)(resid 63 and name HN) 4.0 2.2 1.5
assign (resid 13 and name HN)(resid 63 and name HB#) 4.0 2.2 1.0
assign (resid 13 and name HN)(resid 63 and name HD2#) 4.0 2.2 1.5
assign (resid 13 and name HN)(resid 63 and name HD1#) 4.0 2.2 2.5
assign (resid 13 and name HN)(resid 63 and name HN) 4.0 2.2 1.0
assign (resid 13 and name HD1#)(resid 63 and name HB#) 4.0 2.2 1.5
assign (resid 13 and name HD1#)(resid 63 and name HA) 2.5 0.7 0.7
assign (resid 13 and name HG2#)(resid 69 and name HD1#) 3.0 1.2 1.3
assign (resid 13 and name HG2#)(resid 69 and name HD2#) 2.5 0.7 1.2
assign (resid 13 and name HG2#)(resid 69 and name HD2#) 4.0 2.2 2.0
assign (resid 13 and name HD1#)(resid 69 and name HD1#) 3.0 1.2 1.3
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assign (resid 13 and name HB)(resid 69 and name HD1#) 4.0 2.2 1.5
assign (resid 13 and name HD1#)(resid 69 and name HA) 4.0 2.2 2.5
assign (resid 15 and name HA#)(resid 55 and name HD1#) 4.0 2.2 1.5
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assign (resid 16 and name HB#)(resid 37 and name HN) 4.0 2.2 1.0
assign (resid 16 and name HB#)(resid 54 and name HZ) 3.0 1.2 0.3
assign (resid 16 and name HA)(resid 54 and name HZ) 2.5 0.7 0.2
assign (resid 16 and name HB#)(resid 54 and name HE#) 3.0 1.2 0.3
assign (resid 16 and name HA)(resid 54 and name HE#) 3.0 1.2 0.8
assign (resid 16 and name HA)(resid 55 and name HB) 4.0 2.2 1.0
assign (resid 16 and name HA)(resid 55 and name HG2#) 4.0 2.2 1.5
assign (resid 16 and name HA)(resid 55 and name HD#) 4.0 2.2 1.5
assign (resid 16 and name HB#)(resid 55 and name HB) 4.0 2.2 1.0
assign (resid 16 and name HB#)(resid 55 and name HG2#) 4.0 2.2 1.5
assign (resid 16 and name HB#)(resid 55 and name HD#) 3.0 1.2 0.8
assign (resid 16 and name HB#)(resid 55 and name HN) 4.0 2.2 2.0
assign (resid 16 and name HN)(resid 55 and name HG2#) 4.0 2.2 2.5
assign (resid 16 and name HN)(resid 55 and name HD#) 4.0 2.2 1.5
assign (resid 17 and name HG#)(resid 33 and name HA) 4.0 2.2 1.5
assign (resid 17 and name HG#)(resid 33 and name HB#) 2.5 0.7 1.2
assign (resid 17 and name HG#)(resid 33 and name HN) 4.0 2.2 2.5
assign (resid 17 and name HG#)(resid 34 and name HN) 3.0 1.2 1.0
assign (resid 17 and name HA)(resid 35 and name HA) 4.0 2.2 1.0
assign (resid 17 and name HG#)(resid 35 and name HA) 4.0 2.2 1.5
assign (resid 17 and name HG2#)(resid 35 and name HB#) 4.0 2.2 1.5
assign (resid 17 and name HN)(resid 35 and name HA) 4.0 2.2 2.0
assign (resid 17 and name HA)(resid 36 and name HN) 4.0 2.2 1.0
assign (resid 17 and name HG#)(resid 36 and name HN) 4.0 2.2 1.5
assign (resid 18 and name HN)(resid 33 and name HA) 4.0 2.2 2.0
assign (resid 18 and name HN)(resid 33 and name HB#) 4.0 2.2 2.5
assign (resid 18 and name HD2#)(resid 34 and name HG2#) 3.0 1.2 1.3
assign (resid 18 and name HN)(resid 34 and name HN) 4.0 2.2 1.0
assign (resid 18 and name HN)(resid 34 and name HG2#) 4.0 2.2 1.5
assign (resid 18 and name HN)(resid 35 and name HA) 4.0 2.2 1.0
assign (resid 18 and name HG)(resid 36 and name HD1#) 4.0 2.2 2.5
assign (resid 18 and name HD2#)(resid 36 and name HD2#) 3.0 1.2 1.3
assign (resid 18 and name HD2#)(resid 36 and name HD1#) 2.5 0.7 1.2
assign (resid 18 and name HN)(resid 36 and name HG) 4.0 2.2 1.0
assign (resid 18 and name HN)(resid 36 and name HD1#) 4.0 2.2 1.5
assign (resid 18 and name HN)(resid 36 and name HN) 4.0 2.2 1.0
assign (resid 18 and name hd2#)(resid 91 and name hg2#) 3.0 1.2 1.3
assign (resid 19 and name HB)(resid 33 and name HA) 4.0 2.2 2.0
assign (resid 19 and name HA)(resid 33 and name HA) 2.5 0.7 0.2
assign (resid 19 and name HG2#)(resid 33 and name HA) 4.0 2.2 2.5
assign (resid 19 and name HA)(resid 33 and name HN) 4.0 2.2 2.0
assign (resid 19 and name HA)(resid 33 and name HB#) 4.0 2.2 2.0
assign (resid 19 and name HG2#)(resid 33 and name HB#) 4.0 2.2 2.5
assign (resid 19 and name HN)(resid 33 and name HA) 4.0 2.2 2.0
assign (resid 19 and name HA)(resid 34 and name HN) 4.0 2.2 1.0
assign (resid 20 and name HN)(resid 32 and name HA) 4.0 2.2 2.0
assign (resid 20 and name HN)(resid 33 and name HA) 4.0 2.2 1.0
assign (resid 20 and name HN)(resid 34 and name HN) 4.0 2.2 2.0
assign (resid 20 and name HN)(resid 98 and name HD#) 4.0 1.2 1.5
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assign (resid 20 and name HB#)(resid 98 and name HD1#) 4.0 2.2 1.5
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assign (resid 21 and name HG2#)(resid 29 and name HA) 4.0 2.2 1.5
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assign (resid 21 and name HA)(resid 31 and name HG2#) 3.0 1.2 0.8
assign (resid 21 and name HA)(resid 31 and name HN) 4.0 2.2 2.0
assign (resid 21 and name HB)(resid 31 and name HA) 4.0 2.2 2.0
assign (resid 21 and name HG2#)(resid 31 and name HA) 3.0 1.2 0.8
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assign (resid 22 and name HA)(resid 29 and name HD#) 3.0 1.2 0.5
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assign (resid 22 and name HN)(resid 31 and name HA) 4.0 2.2 1.0
assign (resid 22 and name hn)(resid 29 and name hd#) 4.0 2.2 1.0
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assign (resid 23 and name HG#)(resid 29 and name HA) 3.0 1.2 0.8
assign (resid 23 and name HN)(resid 29 and name HE#) 4.0 2.2 1.0
assign (resid 23 and name HN)(resid 29 and name HD#) 3.0 1.2 0.5
assign (resid 23 and name HG#)(resid 30 and name HN) 4.0 2.2 1.0
assign (resid 23 and name ha)(resid 29 and name hd#) 3.0 1.2 0.3
assign (resid 23 and name ha)(resid 29 and name he#) 4.0 2.2 1.0
assign (resid 24 and name HN)(resid 30 and name HN) 4.0 2.2 2.0
assign (resid 24 and name HA)(resid 95 and name HA#) 4.0 2.2 1.0
assign (resid 24 and name HB#)(resid 95 and name HA) 4.0 2.2 1.0
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assign (resid 24 and name HA)(resid 96 and name HN) 4.0 2.2 1.0
assign (resid 24 and name HG#)(resid 96 and name HA#) 4.0 2.2 1.0
assign (resid 25 and name hg2#)(resid 95 and name hb#) 4.0 2.2 2.5
assign (resid 32 and name HA)(resid 97 and name HA) 4.0 2.2 2.0
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assign (resid 32 and name HB#)(resid 98 and name HN) 4.0 2.2 1.0
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assign (resid 34 and name HD#)(resid 91 and name HG2#) 4.0 2.2 2.0
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assign (resid 34 and name HD1#)(resid 98 and name HD#) 4.0 2.2 2.5
assign (resid 34 and name HD1#)(resid 99 and name HA) 3.0 1.2 1.3
assign (resid 34 and name hg1#)(resid 99 and name ha) 4.0 2.2 1.0
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assign (resid 34 and name HD1#)(resid 100 and name HA) 4.0 2.2 2.5
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assign (resid 34 and name hd1#)(resid 99 and name hn) 4.0 2.2 1.5
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assign (resid 36 and name HD1#)(resid 54 and name HD#) 4.0 2.2 2.5
assign (resid 36 and name HB#)(resid 54 and name HE#) 4.0 2.2 2.5
assign (resid 36 and name HD2#)(resid 100 and name HD#) 4.0 2.2 1.5
assign (resid 37 and name HA)(resid 53 and name HN) 4.0 2.2 2.3
assign (resid 37 and name HA)(resid 54 and name HD#) 3.0 1.2 0.5
assign (resid 37 and name HA)(resid 54 and name HE#) 3.0 1.2 0.5
assign (resid 37 and name HN)(resid 54 and name HD#) 4.0 2.2 2.0
assign (resid 37 and name HB#)(resid 55 and name HG2#) 4.0 2.2 1.5
assign (resid 37 and name HA)(resid 55 and name HN) 4.0 2.2 2.0
assign (resid 38 and name HA)(resid 53 and name HN) 4.0 2.2 2.0
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assign (resid 39 and name HG1#)(resid 49 and name HE3) 4.0 2.2 1.5
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assign (resid 39 and name HA)(resid 51 and name HG#) 4.0 2.2 1.0
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assign (resid 39 and name HG1#)(resid 100 and name HB#) 4.0 2.2 1.5
assign (resid 39 and name HG1#)(resid 100 and name HD#) 3.0 1.2 0.8
assign (resid 39 and name HG1#)(resid 100 and name HE#) 4.0 2.2 1.0
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assign (resid 39 and name hg2#)(resid 100 and name hd#) 3.0 1.2 0.8
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assign (resid 40 and name HG2#)(resid 47 and name HD2#) 2.5 0.7 1.2
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assign (resid 40 and name HA)(resid 49 and name HA) 4.0 2.2 1.0
assign (resid 40 and name HA)(resid 49 and name HE3) 4.0 2.2 2.0
assign (resid 40 and name HG2#)(resid 49 and name HA) 4.0 2.2 1.5
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assign (resid 41 and name HA)(resid 54 and name HB#) 4.0 2.2 2.0
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assign (resid 47 and name HD#)(resid 83 and name HA) 4.0 2.2 2.5
assign (resid 47 and name HD1#)(resid 83 and name HB) 4.0 2.2 2.5
assign (resid 47 and name HD1#)(resid 83 and name HG2#) 3.0 1.2 1.3
assign (resid 47 and name HD2#)(resid 83 and name HG2#) 4.0 2.2 2.0
assign (resid 47 and name HD1#) ((resid 85 or resid 83) and name HN)  4.0 2.2 1.5
assign (resid 47 and name HD1#)(resid 84 and name HA) 4.0 2.2 1.5
assign (resid 47 and name HB#)(resid 85 and name HD1#) 4.0 2.2 2.0
assign (resid 47 and name HD1#)(resid 85 and name HA) 4.0 2.2 2.5
assign (resid 47 and name HD1#)(resid 85 and name HG2#) 3.0 1.2 1.3
assign (resid 47 and name HD2#)(resid 85 and name HG2#) 4.0 2.2 2.0
assign (resid 47 and name HD1#)(resid 85 and name HB) 4.0 2.2 2.5
assign (resid 47 and name HD2#)(resid 85 and name HD1#) 4.0 2.2 2.0
assign (resid 47 and name HD1#)(resid 85 and name HD1#) 4.0 2.2 2.0
assign (resid 48 and name HA)(resid 85 and name HD1#) 4.0 2.2 2.5
assign (resid 49 and name HD1)(resid 85 and name HD1#) 4.0 2.2 1.5
assign (resid 49 and name HN)(resid 85 and name HD#) 4.0 2.2 1.5
assign (resid 49 and name HZ2)(resid 85 and name HG2#) 4.0 2.2 2.5
assign (resid 49 and name HE1)(resid 86 and name HN) 4.0 2.2 2.5
assign (resid 49 and name HZ2)(resid 87 and name HD2#) 4.0 2.2 2.5
assign (resid 49 and name HZ2)(resid 87 and name HA) 3.0 1.2 0.5
assign (resid 49 and name HH2)(resid 87 and name HD2#) 4.0 1.2 1.0
assign (resid 49 and name HZ3)(resid 87 and name HD2#) 4.0 2.2 2.5
assign (resid 49 and name HH2)(resid 87 and name HA) 4.0 2.2 1.0
assign (resid 49 and name HZ2)(resid 89 and name HB#) 4.0 2.2 2.0
assign (resid 49 and name HZ3)(resid 91 and name HD1#) 4.0 2.2 2.5
assign (resid 49 and name HH2)(resid 91 and name HG1#) 4.0 2.2 2.5
assign (resid 49 and name HH2)(resid 91 and name HD1#) 4.0 2.2 2.5
assign (resid 49 and name HH2)(resid 91 and name HN) 4.0 2.2 2.0
assign (resid 49 and name HE3)(resid 100 and name HD#) 4.0 2.2 2.0
assign (resid 49 and name HZ3)(resid 100 and name HD#) 4.0 2.2 2.0
assign (resid 49 and name HE3)(resid 100 and name HE#) 4.0 2.2 1.0
assign (resid 49 and name HZ3)(resid 100 and name HE#) 4.0 2.2 2.0
assign (resid 49 and name hz2)(resid 90 and name hn) 3.0 1.2 0.5
assign (resid 49 and name hb#)(resid 90 and name hd2) 4.0 2.2 1.0
assign (resid 49 and name hd1)(resid 90 and name hd2) 3.0 1.2 0.3
assign (resid 49 and name he1)(resid 90 and name hd2) 2.5 0.7 0.4
assign (resid 49 and name hz2)(resid 90 and name hd2) 4.0 2.2 1.0
assign (resid 54 and name HD#)(resid 61 and name HG2#) 4.0 2.2 2.5
assign (resid 54 and name HE#)(resid 61 and name HG2#) 4.0 2.2 1.5
assign (resid 54 and name hz)(resid 61 and name hg2#) 4.0 2.2 1.5
assign (resid 54 and name HZ)(resid 69 and name HD1#) 4.0 2.2 2.5
assign (resid 54 and name HZ)(resid 69 and name HD2#) 4.0 2.2 1.5
assign (resid 54 and name HE#)(resid 69 and name HD1#) 4.0 2.2 1.5
assign (resid 54 and name HE#)(resid 69 and name HD2#) 3.0 1.2 0.8
assign (resid 54 and name HD#)(resid 71 and name HB#) 4.0 2.2 1.5
assign (resid 55 and name HA)(resid 61 and name HG2#) 4.0 2.2 2.5
assign (resid 55 and name HD1#)(resid 61 and name HG2#) 3.0 1.2 1.3
assign (resid 57 and name HG2#)(resid 73 and name HA) 4.0 2.2 2.5
assign (resid 57 and name HA)(resid 74 and name HG#) 4.0 2.2 2.0
assign (resid 57 and name HB)(resid 74 and name HN) 4.0 2.2 1.0
assign (resid 57 and name HB)(resid 74 and name HB#) 4.0 2.2 1.0
assign (resid 57 and name HB)(resid 74 and name HD#) 4.0 2.2 1.5
assign (resid 57 and name HB)(resid 74 and name HE#) 4.0 2.2 2.5
assign (resid 57 and name HG2#)(resid 74 and name HB#) 4.0 2.2 1.5
assign (resid 57 and name HG2#)(resid 74 and name HD#) 4.0 2.2 2.0
assign (resid 57 and name HG2#)(resid 74 and name HE#) 4.0 2.2 2.0
assign (resid 58 and name HA)(resid 71 and name HB#) 4.0 2.2 2.5
assign (resid 58 and name HB#)(resid 71 and name HB#) 4.0 2.2 2.5
assign (resid 58 and name HB#)(resid 72 and name HN) 4.0 2.2 2.0
assign (resid 58 and name HA)(resid 73 and name HB#) 4.0 2.2 1.0
assign (resid 58 and name HA)(resid 73 and name HA) 2.5 0.7 0.2
assign (resid 58 and name HB#)(resid 73 and name HA) 4.0 2.2 2.0
assign (resid 58 and name HN)(resid 73 and name HA) 4.0 2.2 2.0
assign (resid 58 and name HA)(resid 74 and name HN) 4.0 2.2 1.0
assign (resid 58 and name HA)(resid 80 and name HE#) 2.5 0.7 0.2!
assign (resid 59 and name HN)(resid 71 and name HB#) 4.0 2.2 1.5
assign (resid 59 and name HN)(resid 72 and name HN) 4.0 2.2 1.0
assign (resid 59 and name HN)(resid 73 and name HA) 4.0 2.2 1.0
assign (resid 59 and name hd#)(resid 80 and name he#) 3.0 1.2 0.3
assign (resid 60 and name HN)(resid 72 and name HN) 4.0 2.2 2.0
assign (resid 60 and name HB#)(resid 72 and name HN) 4.0 2.2 2.0
assign (resid 60 and name HB#)(resid 72 and name HN) 4.0 2.2 2.0
assign (resid 61 and name HA)(resid 69 and name HD1#) 4.0 2.2 1.5
assign (resid 61 and name HB)(resid 69 and name HD1#) 2.5 0.7 1.2
assign (resid 61 and name HB)(resid 69 and name HD2#) 4.0 2.2 2.5
assign (resid 61 and name HG2#)(resid 69 and name HD2#) 4.0 2.2 2.0
assign (resid 61 and name HG2#)(resid 69 and name HD1#) 3.0 1.2 1.3
assign (resid 61 and name HA)(resid 71 and name HA) 3.0 1.2 0.3
assign (resid 61 and name HB)(resid 71 and name HB#) 3.0 1.2 0.8
assign (resid 61 and name HA)(resid 71 and name HB#) 3.0 1.2 0.8
assign (resid 61 and name HG2#)(resid 71 and name HA) 4.0 2.2 2.5
assign (resid 61 and name HG2#)(resid 71 and name HB#) 2.5 0.7 1.2
assign (resid 62 and name HN)(resid 69 and name HD1#) 3.0 1.2 1.1
assign (resid 62 and name HN)(resid 70 and name HN) 4.0 2.2 1.0
assign (resid 62 and name HN)(resid 71 and name HA) 4.0 2.2 1.0
assign (resid 62 and name HN)(resid 71 and name HB#) 4.0 2.2 1.5
assign (resid 63 and name HA)(resid 69 and name HA) 4.0 2.2 1.0
assign (resid 63 and name HA)(resid 69 and name HD1#) 4.0 2.2 1.5
assign (resid 63 and name HD1#)(resid 69 and name HA) 4.0 2.2 1.5
assign (resid 63 and name HD1#)(resid 69 and name HD1#) 4.0 2.2 2.0
assign (resid 63 and name HA)(resid 70 and name HN) 4.0 2.2 1.0
assign (resid 63 and name HA)(resid 70 and name HB#) 4.0 2.2 2.5
assign (resid 64 and name HB#)(resid 70 and name HB#) 3.0 1.2 1.5
assign (resid 64 and name HB#)(resid 70 and name HA) 4.0 2.2 2.5
assign (resid 64 and name HB#)(resid 84 and name HE#) 4.0 2.2 2.5
assign (resid 67 and name HB#)(resid 88 and name HN) 4.0 2.2 2.0
assign (resid 67 and name HA)(resid 88 and name HN) 4.0 2.2 2.0
assign (resid 67 and name HB#)(resid 88 and name HA) 4.0 2.2 2.0
assign (resid 68 and name HA)(resid 85 and name HG2#) 4.0 2.2 2.5
assign (resid 68 and name HB#)(resid 85 and name HN) 4.0 2.2 1.0
assign (resid 68 and name HA)(resid 86 and name HA) 3.0 1.2 1.0
assign (resid 68 and name HB#)(resid 86 and name HA) 4.0 2.2 1.0
assign (resid 68 and name HB#)(resid 86 and name HB#) 4.0 2.2 2.5
assign (resid 68 and name HG#)(resid 86 and name HA) 4.0 2.2 2.0
assign (resid 68 and name HA)(resid 87 and name HD1#) 4.0 2.2 2.5
assign (resid 68 and name HA)(resid 87 and name HN) 4.0 2.2 1.0
assign (resid 68 and name HG#)(resid 87 and name HN) 4.0 2.2 2.0
assign (resid 69 and name HN)(resid 85 and name HG2#) 4.0 2.2 1.5
assign (resid 69 and name HG)(resid 85 and name HG2#) 4.0 2.2 2.5
assign (resid 69 and name HB#)(resid 85 and name HG2#) 4.0 2.2 1.5
assign (resid 69 and name HD1#)(resid 85 and name HG2#) 4.0 2.2 3.0
assign (resid 69 and name HD2#)(resid 85 and name HG2#) 3.0 1.2 1.3
assign (resid 69 and name HA)(resid 87 and name HD1#) 4.0 2.2 2.5
assign (resid 69 and name HB#)(resid 87 and name HD2#) 4.0 2.2 1.5
assign (resid 69 and name HB#)(resid 87 and name HD1#) 4.0 2.2 1.5
assign (resid 69 and name HN)(resid 87 and name HN) 4.0 2.2 1.0
assign (resid 69 and name HN)(resid 87 and name HD1#) 4.0 2.2 2.5
assign (resid 69 and name hn)(resid 87 and name hd2#) 4.0 2.2 2.5
assign (resid 69 and name HB#)(resid 87 and name HG) 4.0 2.2 2.0
assign (resid 69 and name HD2#)(resid 87 and name HD2#) 4.0 2.2 2.0
assign (resid 70 and name HA)(resid 83 and name HN) 4.0 2.2 1.0
assign (resid 70 and name HA)(resid 84 and name HG#) 4.0 2.2 1.5
assign (resid 70 and name HB#)(resid 84 and name HD#) 4.0 2.2 2.0
assign (resid 70 and name HA)(resid 84 and name HA) 3.0 1.2 0.3
assign (resid 70 and name HA)(resid 84 and name HB#) 4.0 2.2 2.0
assign (resid 70 and name HB#)(resid 84 and name HB#) 4.0 2.2 1.5
assign (resid 70 and name HB#)(resid 84 and name HA) 4.0 2.2 2.5
assign (resid 70 and name HB#)(resid 84 and name HE#) 4.0 2.2 2.5
assign (resid 70 and name HA)(resid 85 and name HN) 4.0 2.2 2.0
assign (resid 71 and name HN)(resid 82 and name HA) 4.0 2.2 1.0
assign (resid 71 and name HB#)(resid 81 or resid 83 and name HG2#) 4.0 2.2 2.5
assign (resid 71 and name HN)(resid 83 and name HN) 3.0 1.2 0.5
assign (resid 71 and name HN)(resid 83 and name HG2#) 4.0 2.2 1.5
assign (resid 71 and name HB#)(resid 83 and name HN) 4.0 2.2 1.5
assign (resid 71 and name HB#)(resid 84 and name HA) 4.0 2.2 2.5
assign (resid 71 and name HN)(resid 84 and name HB#) 4.0 2.2 1.0
assign (resid 71 and name HN)(resid 84 and name HN) 4.0 2.2 2.0
assign (resid 71 and name HN)(resid 84 and name HA) 4.0 2.2 1.0
assign (resid 71 and name HN)(resid 84 and name HB#) 4.0 2.2 2.0
assign (resid 72 and name HB#)(resid 80 and name HB#) 4.0 2.2 2.0
assign (resid 72 and name HB#)(resid 80 and name HD#) 3.0 1.2 0.3
assign (resid 72 and name HA)(resid 81 and name HG#) 4.0 2.2 1.5
assign (resid 72 and name HA)(resid 81 and name HN) 4.0 2.2 1.0
assign (resid 72 and name HA)(resid 82 and name HN) 4.0 2.2 2.0
assign (resid 72 and name HG#)(resid 82 and name HA) 4.0 2.2 2.0
assign (resid 72 and name HA)(resid 82 and name HA) 3.0 1.2 0.3
assign (resid 72 and name HA)(resid 82 and name HB#) 4.0 2.2 2.0
assign (resid 72 and name HA)(resid 83 and name HN) 4.0 2.2 1.0
assign (resid 72 and name HA)(resid 83 and name HG2#) 4.0 2.2 2.5
assign (resid 73 and name HA)(resid 80 and name HD#) 3.0 1.2 0.3
assign (resid 73 and name HN)(resid 80 and name HA) 4.0 2.2 1.0
assign (resid 73 and name HB#)(resid 81 and name HG#) 4.0 2.2 2.5
assign (resid 73 and name HN)(resid 81 and name HN) 4.0 2.2 1.5
assign (resid 73 and name HN)(resid 81 and name HA) 4.0 2.2 1.0
assign (resid 73 and name HN)(resid 82 and name HA) 4.0 2.2 1.0
assign (resid 73 and name HN)(resid 83 and name HN) 4.0 2.2 2.0
assign (resid 73 and name HB#)(resid 83 and name HG2#) 4.0 2.2 1.5
assign (resid 73 and name hn)(to resid 80 and name) hd# 3.0 1.2
assign (resid 74 and name HA)(resid 80 and name HA) 2.5 0.7 0.2
assign (resid 74 and name HA)(resid 80 and name HD#) 4.0 2.2 1.0
assign (resid 74 and name HB#)(resid 80 and name HZ) 4.0 2.2 2.0
assign (resid 74 and name HG#)(resid 80 and name HE#) 4.0 2.2 2.0
assign (resid 74 and name HG#)(resid 80 and name HZ) 4.0 2.2 1.0
assign (resid 74 and name HD#)(resid 80 and name HE#) 3.0 1.2 0.8
assign (resid 74 and name HD#)(resid 80 and name HZ) 4.0 2.2 1.5
assign (resid 74 and name HE#)(resid 80 and name HZ) 4.0 2.2 1.5
assign (resid 74 and name HE#)(resid 80 and name HE#) 4.0 2.2 1.5
assign (resid 74 and name HN)(resid 80 and name HA) 4.0 2.2 2.0
assign (resid 74 and name HN)(resid 80 and name HE#) 4.0 2.2 1.0
assign (resid 74 and name HG#)(resid 80 and name HE#) 3.0 1.2 0.3
assign (resid 74 and name HA)(resid 80 and name HN) 4.0 2.2 1.0
assign (resid 74 and name HA)(resid 81 and name HN) 4.0 2.2 1.0
assign (resid 75 and name HA)(resid 81 and name HG#) 4.0 2.2 2.5
assign (resid 75 and name HB)(resid 81 and name HG#) 4.0 2.2 2.5
assign (resid 75 and name HG2#)(resid 81 and name HN) 4.0 2.2 1.5
assign (resid 75 and name HG2#)(resid 81 and name HB) 4.0 2.2 2.5
assign (resid 75 and name HG2#)(resid 81 and name HG#) 2.5 0.7 1.2
assign (resid 75 and name HG2#)(resid 81 and name HG#) 2.5 0.7 1.2
assign (resid 72 and name HG#)(resid 83 and name HN) 4.0 2.2 1.0
assign (resid 90 and name HB#)(resid 100 and name HD#) 4.0 2.2 1.0
assign (resid 90 and name HB#)(resid 100 and name HE#) 4.0 2.2 1.0
assign (resid 90 and name HA)(resid 101 and name HN) 4.0 2.2 1.0
assign (resid 90 and name HB#)(resid 101 and name HN) 4.0 2.2 2.0
assign (resid 91 and name HG2#)(resid 98 and name HD1#) 4.0 2.2 2.0
assign (resid 91 and name HG2#)(resid 99 and name HN) 3.0 1.2 1.0
assign (resid 91 and name HD1#)(resid 100 and name HD#) 3.0 1.2 0.8
assign (resid 91 and name HD1#)(resid 100 and name HE#) 4.0 2.2 2.5
assign (resid 91 and name HD1#)(resid 100 and name HB#) 4.0 2.2 2.5
assign (resid 91 and name HD1#)(resid 100 and name HA) 3.0 1.2 0.8
assign (resid 91 and name HD1#)(resid 101 and name HN) 4.0 2.2 1.5
assign (resid 92 and name HB#)(resid 99 and name HB#) 4.0 2.2 1.5
assign (resid 92 and name HB#)(resid 101 and name HN) 4.0 2.2 2.5
assign (resid 37 and name hd2#)(resid 55 and name hg2#) 3.0 1.2 1.0
assign (resid 37 and name hd2#)(resid 53 and name ha) 3.0 1.2 0.5
assign (resid 37 and name hd2#)(resid 54 and name hn) 3.0 1.2 0.5
assign (resid 30 and name hd2#) ((resid 97 and name hg2#)
                               or (resid 24 and name hg#)) 4.0 2.2 2.0
assign (resid 30 and name hd2#)(resid 24 and name he) 4.0 2.2 1.0
assign (resid 7 and name hb)(resid 93 and name hd2#) 4.0 2.2 1.0
assign (resid 7 and name hg2#)(resid 93 and name hd2#) 4.0 2.2 1.5
assign (resid 22 and name hb#)(resid 93 and name hd2#) 3.0 1.2 0.5
assign (resid 93 and name hd2#)(resid 7 and name hg1) 4.0 2.2 1.0
assign (resid 93 and name hd2#) ((resid 7 or resid 97) and name hn) 4.0 2.2 2.0
assign (resid 93 and name hd2#)(resid 23 and name hb#) 4.0 2.2 2.0
assign (resid 61 and name hg1)(resid 15 and name hn) 4.0 2.2 1.0
assign (resid 83 and name hg1)(resid 47 and name hn) 4.0 2.2 2.0
assign (resid 42 and name hd2#)(resid 57 and name og1) 3.0 1.2 0.5
assign (resid 42 and name hd2#)(resid 57 and name hb#) 4.0 2.2 1.0
assign (resid 42 and name hd2#)(resid 73 and name hb#) 3.0 1.2 0.5
assign (resid 42 and name hd2#)(resid 57 and name hg2#) 4.0 2.2 1.5
assign (resid 60 and name HD2#)(resid 72 and name HG#) 4.0 2.2 2.0
assign (resid 49 and name HE1)(resid 85 and name HG1#) 4.0 2.2 1.5
assign (resid 49 and name HE1)(resid 85 and name HD1#) 4.0 2.2 1.5
assign (resid 49 and name HE1)(resid 86 and name HN) 4.0 2.2 2.0
assign (resid 49 and name HE1)(resid 89 and name HN) 4.0 2.2 2.0
assign (resid 49 and name HE1)(resid 89 and name HA) 4.0 2.2 1.0
assign (resid 49 and name HE1)(resid 89 and name HB#) 3.0 1.2 0.5
assign (resid 49 and name HE1)(resid 90 and name HN) 4.0 2.2 2.0
assign (resid 37 and name od1)(resid 53 and name od1) 4.0 0.1 100.0
assign (resid 67 and name hg)(resid 87 and name hn) 3.0 1.2 1.0
assign (resid 67 and name hg)(resid 88 and name hn) 3.0 1.2 1.0
assign (resid 98 and name hn)(resid 32 and name hg) 4.0 2.2 1.0
assign (resid 47 and name hn)(resid 83 and name hg1) 3.0 1.2 1.0
assign (resid 37 and name hn)(resid 16 and name hg) 3.0 1.2 1.0
assign (resid 41 and name oe1)(resid 52 and name o) 4.0 0.1 100.0
assign (resid 41 and name oe2)(resid 52 and name o) 4.0 0.1 100.0
assign (resid 34 and name HB)(resid 98 and name HD#) 3.0 1.2 0.8
assign (resid 33 and name HA)(resid 98 and name HD1#) 4.0 2.2 1.0
assign (resid 19 and name HA)(resid 98 and name HD1#) 4.0 2.2 1.0



assign (resid 3 and name hn)(resid 3 and name ha) 2.5 0.7 0.4
assign (resid 3 and name hn)(resid 3 and name hg#) 4.0 2.2 1.0
assign (resid 6 and name hn)(resid 6 and name hg#) 2.5 0.7 0.4
assign (resid 24 and name hb1)(resid 24 and name hd#) 3.0 1.2 0.3
assign (resid 24 and name hb2)(resid 24 and name hd#) 3.0 1.2 0.3
assign (resid 41 and name ha)(resid 41 and name hg1) 2.5 0.7 0.2
assign (resid 41 and name ha)(resid 41 and name hg2) 4.0 2.2 1.0
assign (resid 53 and name hn)(resid 53 and name ha) 2.5 0.5 0.4
assign (resid 76 and name hn)(resid 76 and name hd#) 4.0 0.1 100.0
assign (resid 76 and name hn)(resid 76 and name hg#) 2.5 0.7 0.4
assign (resid 90 and name hn)(resid 90 and name hd2) 3.0 1.2 0.5
assign (resid 10 and name hd2#)(resid 10 and name hn) 3.5 0.01 100.0
assign (resid 26 and name hd2#)(resid 26 and name hn) 4.0 2.2 1.0
assign (resid 26 and name od1)(resid 26 and name o) 3.0 0.01 100.0
assign (resid 26 and name hd2#)(resid 26 and name ha) 3.0 1.2 0.8
assign (resid 93 and name hd2#)(resid 93 and name hn) 4.0 2.2 2.0
assign (resid 32 and name hn)(resid 32 and name hg) 4.0 2.2 1.0
assign (resid 53 and name hd2#)(resid 53 and name hn) 4.0 0.01 100.0
assign (resid 86 and name hd2#)(resid 86 and name hn) 4.0 0.1 100.0



!hbond restraints


!C8
assign (resid 8 and name N)((resid 5 or resid 4) and name O)  2.8  0.3  0.7
assign (resid 8 and name HN)((resid 4 or resid 5) and name O)  1.8  0.3  0.7

assign (resid 58 and name n)((resid 54) and name o) 2.8 0.3 0.8
assign (resid 58 and name hn)((resid 54) and name o) 1.8 0.3 0.8

!A12
assign (resid 12 and name N)(resid 19 and name O)  2.8  0.3  0.7
assign (resid 12 and name HN)(resid 19 and name O)  1.8  0.3  0.7

!V17
assign (resid 17 and name N)(resid 14 and name O)  2.8  0.3  0.7
assign (resid 17 and name HN)(resid 14 and name O)  1.8  0.3  0.7

!L18
assign (resid 18 and name N)(resid 34 and name O)  2.8  0.3  0.7
assign (resid 18 and name HN)(resid 34 and name O)  1.8  0.3  0.7
 
!T19
assign (resid 19 and name N)(resid 12 and name O)  2.8  0.3  0.7
assign (resid 19 and name HN)(resid 12 and name O)  1.8  0.3  0.7
 
!S20
assign (resid 20 and name N)(resid 32 and name O)  2.8  0.3  0.7
assign (resid 20 and name HN)(resid 32 and name O)  1.8  0.3  0.7
 
!C22
assign (resid 22 and name N)(resid 30 and name O)  2.8  0.3  0.5
assign (resid 22 and name HN)(resid 30 and name O)  1.8  0.3  0.5

 
!E23
assign (resid 23 and name N)(resid  7 and name O)  2.8  0.3  0.7
assign (resid 23 and name HN)(resid  7 and name O)  1.8  0.3  0.7

!N30
assign (resid 30 and name n)(resid 22 and name o) 2.8 0.3 0.5
assign (resid 30 and name hn)(resid 22 and name o) 1.8 0.3 0.5
 
!S32
assign (resid 32 and name N)(resid 20 and name O)  2.8  0.3  0.7
assign (resid 32 and name HN)(resid 20 and name O)  1.8  0.3  0.7

!I34
assign (resid 34 and name N)(resid 18 and name O)  2.8  0.3  0.7
assign (resid 34 and name HN)(resid 18 and name O)  1.8  0.3  0.7
 
!E41
assign (resid 41 and name N)((resid 48) and name O)  2.8  0.3  0.7
assign (resid 41 and name HN)((resid 48) and name O)  1.8  0.3  0.7


!S46
assign (resid 46 and name N)(resid 43 and name O)  2.8  0.3  0.7
assign (resid 46 and name HN)(resid 43 and name O)  1.8  0.3  0.7
 
!K48
assign (resid 48 and name N)(resid 41 and name O)  2.8  0.3  0.7
assign (resid 48 and name HN)(resid 41 and name O)  1.8  0.3  0.7
 
!N62
assign (resid 62 and name N)(resid 70 and name O)  2.8  0.3  0.7
assign (resid 62 and name HN)(resid 70 and name O)  1.8  0.3  0.7
 
!A70
assign (resid 70 and name N)(resid 62 and name O)  2.8  0.3  0.7
assign (resid 70 and name HN)(resid 62 and name O)  1.8  0.3  0.7
 
!A71
assign (resid 71 and name N)(resid 83 and name O)  2.8  0.3  0.7
assign (resid 71 and name HN)(resid 83 and name O)  1.8  0.3  0.7
 
 
!C73
assign (resid 73 and name N)(resid 81 and name O)  2.8  0.3  0.7
assign (resid 73 and name HN)(resid 81 and name O)  1.8  0.3  0.7
 
!K74
assign (resid 74 and name N)(resid 57 and name O)  2.8  0.3  0.7
assign (resid 74 and name HN)(resid 57 and name O)  1.8  0.3  0.7
 
!V81
assign (resid 81 and name N)(resid 73 and name O)  2.8  0.3  0.7
assign (resid 81 and name HN)(resid 73 and name O)  1.8  0.3  0.7
 
!T83
assign (resid 83 and name N)(resid 71 and name O)  2.8  0.3  0.7
assign (resid 83 and name HN)(resid 71 and name O)  1.8  0.3  0.7
 
!L87
assign (resid 87 and name N)(resid 67 and name O)  2.8  0.3  0.7
assign (resid 87 and name HN)(resid 67 and name O)  1.8  0.3  0.7

!I91
assign (resid 91 and name N)((resid 87 or resid 88) and name O)  2.8  0.3  0.7
assign (resid 91 and name HN)((resid 87 or resid 88) and name O)  1.8  0.3  0.7
 
!A92
assign (resid 92 and name N)(resid 99 and name O)  2.8  0.3  0.7
assign (resid 92 and name HN)(resid 99 and name O)  1.8  0.3  0.7
 
!I94
assign (resid 94 and name N)(resid 97 and name O)  2.8  0.3  0.7
assign (resid 94 and name HN)(resid 97 and name O)  1.8  0.3  0.7
 
!T97
assign (resid 97 and name N)(resid 94 and name O)  2.8  0.3  0.7
assign (resid 97 and name HN)(resid 94 and name O)  1.8  0.3  0.7
 
!K99
assign (resid 99 and name N)(resid 92 and name O)  2.8  0.3  0.7
assign (resid 99 and name HN)(resid 92 and name O)  1.8  0.3  0.7

!E101
assign (resid 101 and name N)(resid 90 and name O)  2.8  0.3  0.7
assign (resid 101 and name HN)(resid 90 and name O)  1.8  0.3  0.7


assign (resid 6 and name N)(resid 3 and name O)  2.8  0.3  0.7
assign (resid 6 and name HN)(resid 3 and name O)  1.8  0.3  0.7

assign (resid 7 and name n)((resid 4) and name o) 2.8 0.3 0.8
assign (resid 7 and name hn)(( resid 4) and name o) 1.8 0.3 0.8

assign (resid 56 and name N)(resid 53 and name O)  2.8  0.3  0.7
assign (resid 56 and name HN)(resid 53 and name O)  1.8  0.3  0.7

assign (resid 57 and name n)(resid 54 and name o) 2.8 0.3 0.8
assign (resid 57 and name hn)(resid 54 and name o) 1.8 0.3 0.8


assign (resid 43 and name N)(resid 46 and name O)  2.8  0.3  0.7
assign (resid 43 and name HN)(resid 46 and name O)  1.8  0.3  0.7

assign (resid 69 and name N)(resid 85 and name O)  2.8  0.3  0.7
assign (resid 69 and name HN)(resid 85 and name O)  1.8  0.3  0.7

assign (resid 85 and name N)(resid 69 and name O)  2.8  0.3  0.7
assign (resid 85 and name HN)(resid 69 and name O)  1.8  0.3  0.7



assign (resid 59 and name n)(resid 72 and name o) 2.8 0.3 0.8
assign (resid 59 and name hn)(resid 72 and name o) 1.8 0.3 0.8


!E72
assign (resid 72 and name N)(resid 59 and name O) 2.8 0.3 0.8 
assign (resid 72 and name HN)(resid 59 and name O) 1.8 0.3 0.8

assign (resid 78 and name n)(resid 75 and name o) 2.8 0.3 1.0
assign (resid 78 and name hn)(resid 75 and name o) 1.8 0.3 1.0

assign (resid 75 and name n)(resid 79 and name o) 2.8 0.3 0.8
assign (resid 75 and name hn)(resid 79 and name o) 1.8 0.3 0.8







assign (resid 78 and name ne2)((resid 75 or resid 76) and name o) 2.8 0.3 0.9

assign (resid 93 and name nd2)(resid 7 and name og1) 2.8 0.3 0.5
assign (resid 93 and name hd2#)(resid 7 and name og1) 1.8 0.3 0.5
assign (resid 93 and name nd2)(resid 8 and name sg) 4.0 2.0 1.2

assign (resid 93 and name od1)(resid 96 and name n) 2.8 0.3 0.9
assign (resid 93 and name od1)(resid 96 and name hn) 1.8 0.3 0.9

assign (resid 42 and name nd2)(resid 57 and name og1) 2.8 0.3 0.5
assign (resid 42 and name hd2#)(resid 57 and name og1) 1.8 0.3 0.5
assign (resid 42 and name nd2)(resid 58 and name sg) 4.0 2.2 1.2 

assign (resid 42 and name od1)(resid 45 and name n) 2.8 0.3 0.9
assign (resid 42 and name od1)(resid 45 and name hn) 1.8 0.3 0.9



assign (resid 89 and name od2)(resid 49 and name ne1) 2.8 0.3 0.8
assign (resid 95 and name od1)((resid 25 and (name n)))
                   2.8 0.3 0.9
assign (resid 95 and name od1)((resid 25 and (name hn)))
                   1.8 0.3 0.9



assign (resid 44 and name od1)(resid 76 and name n) 2.8 0.3 0.8
assign (resid 44 and name od1)(resid 76 and name hn) 1.8 0.3 0.8

assign (resid 59 and (name ne or name nh1))(resid 72 and name oe1) 2.8 0.3 0.8
assign (resid 59 and (name he or name hh1*))(resid 72 and name oe1) 1.8 0.3 0.8

assign (resid 60 and name nd2)(resid 72 and name oe2) 2.8 0.3 0.8
assign (resid 60 and name hd2#)(resid 72 and name oe2) 1.8 0.3 0.8


assign (resid 35 and name od1)(resid 16 and name og) 2.8 0.3 0.8
assign (resid 35 and name od1)(resid 16 and name hg) 1.8 0.3 0.8

assign (resid 41 and name oe#)(resid 50 and name ne2) 2.8 0.3 0.8
assign (resid 41 and name oe#)(resid 50 and name he2#) 1.8 0.3 0.8

assign (resid 53 and name nd2)(resid 56 and name oe#) 2.8 0.3 0.8
assign (resid 53 and name hd2#)(resid 56 and name oe#) 1.8 0.3 0.8 


assign (resid 21 and name og1)(resid 31 and name og1) 2.8 0.3 0.2

assign (resid 30 and name nd2)(resid 37 and name og1) 2.8 0.3 0.8
assign (resid 30 and name hd2#)(resid 97 and name og1) 1.8 0.3 0.8


B. Torsion angle restraints


!phi restraints
 assign (resid  1  and name c ) (resid  2  and name n ) 
        (resid  2  and name ca) (resid  2  and name c )   1.0  70.0 20.0 2
  !!    k3
 assign (resid  2  and name c ) (resid  3  and name n ) 
        (resid  3  and name ca) (resid  3  and name c )   1.0  60.0 30.0 2
  !!    f4
 assign (resid  3  and name c ) (resid  4  and name n ) 
        (resid  4  and name ca) (resid  4  and name c )   1.0  -55.0 20.0 2
  !!    s5
 assign (resid  4  and name c ) (resid  5  and name n ) 
        (resid  5  and name ca) (resid  5  and name c )   1.0  -65.0 30.0 2
  !!    q6
 assign (resid  5  and name c ) (resid  6  and name n ) 
        (resid  6  and name ca) (resid  6  and name c )   1.0  -70.0 20.0 2
  !!    t7
 assign (resid  6  and name c ) (resid  7  and name n ) 
        (resid  7  and name ca) (resid  7  and name c )  1.0 -105.0 30.0 2
  !!    c8
 assign (resid  7  and name c ) (resid  8  and name n )
        (resid  8  and name ca) (resid  8  and name c )   1.0 -125.0 20.0 2 
  !!    y9
 assign (resid  8  and name c ) (resid  9  and name n )
        (resid  9  and name ca) (resid  9  and name c )   1.0  -145.0 30.0 2
  !!    n10
 assign (resid  9  and name c ) (resid 10 and name n ) 
        (resid  10 and name ca) (resid 10 and name c )   1.0  60.0 20.0 2
  !!    s11
 assign (resid 10 and name c ) (resid 11 and name n ) 
        (resid 11 and name ca) (resid 11 and name c )   1.0  -75.0 20.0 2
  !!    a12
 assign (resid 11 and name c ) (resid 12 and name n ) 
        (resid 12 and name ca) (resid 12 and name c )   1.0  -150.0 20.0 2
  !!    i13
 assign (resid 12 and name c ) (resid 13 and name n ) 
        (resid 13 and name ca) (resid 13 and name c )   1.0  -130.0 20.0 2
  !!    q14
 assign (resid 13 and name c ) (resid 14 and name n ) 
        (resid 14 and name ca) (resid 14 and name c )   1.0  -135.0 20.0 2
  !!    g15
 assign (resid 14 and name c ) (resid 15 and name n ) 
        (resid 15 and name ca) (resid 15 and name c )   1.0  50.0 30.0 2
  !!    s16
 assign (resid 15 and name c ) (resid 16 and name n ) 
        (resid 16 and name ca) (resid 16 and name c )   1.0 -90.0 20.0 2 
  !!    v17
 assign (resid 16 and name c ) (resid 17 and name n ) 
        (resid 17 and name ca) (resid 17 and name c ) 1.0 -90.0 20.0 2 
  !!    l18
 assign (resid 17 and name c ) (resid 18 and name n ) 
        (resid 18 and name ca) (resid 18 and name c )   1.0  -95.0 20.0 2
  !!    t19
 assign (resid 18 and name c ) (resid 19 and name n ) 
        (resid 19 and name ca) (resid 19 and name c )   1.0  -125.0 20.0 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 -150.0 20.0 2 
  !!    t21
 assign (resid 20 and name c ) (resid 21 and name n ) 
        (resid 21 and name ca) (resid 21 and name c )   1.0  -100.0 20.0 2
  !!    c22
 assign (resid 21 and name c ) (resid 22 and name n ) 
        (resid 22 and name ca) (resid 22 and name c )   1.0  -120.0 20.0 2
  !!    e23
 assign (resid 22 and name c ) (resid 23 and name n ) 
        (resid 23 and name ca) (resid 23 and name c )   1.0  -70.0 20.0 2
  !!    r24
 assign (resid 23 and name c ) (resid 24 and name n ) 
        (resid 24 and name ca) (resid 24 and name c )  1.0 -80.0 20.0 2 
  !!    t25
 assign (resid 24 and name c ) (resid 25 and name n ) 
        (resid 25 and name ca) (resid 25 and name c )   1.0  -60.0 25.0 2
  !!    n26
 assign (resid 25 and name c ) (resid 26 and name n ) 
        (resid 26 and name ca) (resid 26 and name c )   1.0 -90.0 30.0 2
  !!    g27
 assign (resid 26 and name c ) (resid 27 and name n ) 
        (resid 27 and name ca) (resid 27 and name c )   1.0  50.0 50.0 2
  !!    g28
 assign (resid 27 and name c ) (resid 28 and name n ) 
        (resid 28 and name ca) (resid 28 and name c )  1.0 105.0 50.0 2
  !!    y29
 assign (resid 28 and name c ) (resid 29 and name n ) 
        (resid 29 and name ca) (resid 29 and name c )  1.0 -120.0 20.0 2
  !!    n30
 assign (resid 29 and name c ) (resid 30 and name n ) 
        (resid 30 and name ca) (resid 30 and name c )  1.0 -130.0 30.0 2
  !!    t31
 assign (resid 30 and name c ) (resid 31 and name n ) 
        (resid 31 and name ca) (resid 31 and name c )  1.0 -100.0 20.0 2
  !!    s32
 assign (resid 31 and name c ) (resid 32 and name n ) 
        (resid 32 and name ca) (resid 32 and name c )  1.0 -150.0 20.0 2
  !!    s33
 assign (resid 32 and name c ) (resid 33 and name n ) 
        (resid 33 and name ca) (resid 33 and name c )  1.0 -130.0 20.0 2
  !!    i34
 assign (resid 33 and name c ) (resid 34 and name n ) 
        (resid 34 and name ca) (resid 34 and name c )  1.0 -140.0 20.0 2
  !!    d35
 assign (resid 34 and name c ) (resid 35 and name n ) 
        (resid 35 and name ca) (resid 35 and name c )  1.0 -80.0 20.0 2
  !!    l36
 assign (resid 35 and name c ) (resid 36 and name n ) 
        (resid 36 and name ca) (resid 36 and name c )  1.0 -70.0 20.0 2
  !!    n37
 assign (resid 36 and name c ) (resid 37 and name n ) 
        (resid 37 and name ca) (resid 37 and name c )  1.0 -60.0 20.0 2
  !!    s38
 assign (resid 37 and name c ) (resid 38 and name n ) 
        (resid 38 and name ca) (resid 38 and name c )  1.0 -70.0 20.0 2
  !!    v39
 assign (resid 38 and name c ) (resid 39 and name n ) 
        (resid 39 and name ca) (resid 39 and name c )  1.0 -120.0 20.0 2
  !!    i40
 assign (resid 39 and name c ) (resid 40 and name n ) 
        (resid 40 and name ca) (resid 40 and name c )  1.0 -120.0 20.0 2
  !!    e41
 assign (resid 40 and name c ) (resid 41 and name n ) 
        (resid 41 and name ca) (resid 41 and name c )  1.0 -120.0 20.0 2
  !!    n42
 assign (resid 41 and name c ) (resid 42 and name n ) 
        (resid 42 and name ca) (resid 42 and name c )  1.0 -105.0 20.0 2
  !!    v43
 assign (resid 42 and name c ) (resid 43 and name n ) 
        (resid 43 and name ca) (resid 43 and name c )  1.0 -115.0 20.0 2
  !!    d44
assign (resid 43 and name c ) (resid 44 and name n ) 
        (resid 44 and name ca) (resid 44 and name c )  1.0 50.0 30.0 2
  !!    g45
 assign (resid 44 and name c ) (resid 45 and name n ) 
        (resid 45 and name ca) (resid 45 and name c )  1.0 120.0 40.0 2
  !!    s46
 assign (resid 45 and name c ) (resid 46 and name n ) 
        (resid 46 and name ca) (resid 46 and name c )  1.0 -90.0 30.0 2
  !!    l47
 assign (resid 46 and name c ) (resid 47 and name n ) 
        (resid 47 and name ca) (resid 47 and name c )  1.0 -80.0 20.0 2
  !!    k48
 assign (resid 47 and name c ) (resid 48 and name n ) 
        (resid 48 and name ca) (resid 48 and name c )   1.0  -140.0 20.0 2
  !!    w49
 assign (resid 48 and name c ) (resid 49 and name n ) 
        (resid 49 and name ca) (resid 49 and name c )   1.0  -95.0 30.0 2
  !!    q50
 assign (resid 49 and name c ) (resid 50 and name n ) 
        (resid 50 and name ca) (resid 50 and name c )   1.0  -160.0 20.0 2
  !!    p51
 assign (resid 50 and name c ) (resid 51 and name n ) 
        (resid 51 and name ca) (resid 51 and name c )   1.0  -80.0 45.0 2
  !!    s52
 assign (resid 51 and name c ) (resid 52 and name n ) 
        (resid 52 and name ca) (resid 52 and name c )   1.0 180.0 20.0 2 
  !!    n53
 assign (resid 52 and name c ) (resid 53 and name n ) 
        (resid 53 and name ca) (resid 53 and name c )   1.0  50.0 20.0 2
  !!    f54
 assign (resid 53 and name c ) (resid 54 and name n ) 
        (resid 54 and name ca) (resid 54 and name c )   1.0  -60.0 20.0 2
  !!    i55
 assign (resid 54 and name c ) (resid 55 and name n ) 
        (resid 55 and name ca) (resid 55 and name c )   1.0  -65.0 30.0 2
  !!    e56
 assign (resid 55 and name c ) (resid 56 and name n ) 
        (resid 56 and name ca) (resid 56 and name c )   1.0  -70.0 30.0 2
  !!    t57
 assign (resid 56 and name c ) (resid 57 and name n ) 
        (resid 57 and name ca) (resid 57 and name c )   1.0  -120.0 30.0 2
  !!    c58
 assign (resid 57 and name c ) (resid 58 and name n ) 
        (resid 58 and name ca) (resid 58 and name c )   1.0  -120.0 30.0 2
  !!    r59
 assign (resid 58 and name c ) (resid 59 and name n ) 
        (resid 59 and name ca) (resid 59 and name c )   1.0  -140.0 20.0 2
  !!    n60
 assign (resid 59 and name c ) (resid 60 and name n ) 
        (resid 60 and name ca) (resid 60 and name c )   1.0  60.0 20.0 2
  !!    t61
 assign (resid 60 and name c ) (resid 61 and name n ) 
        (resid 61 and name ca) (resid 61 and name c )   1.0  -65.0 30.0 2
  !!    q62
 assign (resid 61 and name c ) (resid 62 and name n ) 
        (resid 62 and name ca) (resid 62 and name c )   1.0 -150.0 20.0 2   
  !!    l63
 assign (resid 62 and name c ) (resid 63 and name n ) 
        (resid 63 and name ca) (resid 63 and name c )   1.0  -85.0 20.0 2
  !!    a64
 assign (resid 63 and name c ) (resid 64 and name n ) 
        (resid 64 and name ca) (resid 64 and name c )   1.0 -110.0 20.0 2
  !!    g65
 assign (resid 64 and name c ) (resid 65 and name n ) 
        (resid 65 and name ca) (resid 65 and name c )   1.0  60.0 30.0 2
  !!    s66
 assign (resid 65 and name c ) (resid 66 and name n ) 
        (resid 66 and name ca) (resid 66 and name c )   1.0 -90.0 20.0 2
  !!    s67
 assign (resid 66 and name c ) (resid 67 and name n ) 
        (resid 67 and name ca) (resid 67 and name c )   1.0 -130.0 25.0 2
  !!    e68
 assign (resid 67 and name c ) (resid 68 and name n ) 
        (resid 68 and name ca) (resid 68 and name c )   1.0 -85.0 20.0 2
  !!    l69
 assign (resid 68 and name c ) (resid 69 and name n ) 
        (resid 69 and name ca) (resid 69 and name c )   1.0  -120.0 20.0 2
  !!    a70
 assign (resid 69 and name c ) (resid 70 and name n ) 
        (resid 70 and name ca) (resid 70 and name c )   1.0 -120.0 20.0 2
  !!    a71
 assign (resid 70 and name c ) (resid 71 and name n ) 
        (resid 71 and name ca) (resid 71 and name c )   1.0  -150.0 20.0 2
  !!    e72
 assign (resid 71 and name c ) (resid 72 and name n ) 
        (resid 72 and name ca) (resid 72 and name c )   1.0  -110.0 20.0 2
  !!    c73
 assign (resid 72 and name c ) (resid 73 and name n ) 
        (resid 73 and name ca) (resid 73 and name c )  1.0 -130.0 20.0 2
  !!    k74
 assign (resid 73 and name c ) (resid 74 and name n )
        (resid 74 and name ca) (resid 74 and name c )  1.0 -75.0 20.0 2
  !!    t75
 assign (resid 74 and name c ) (resid 75 and name n )
        (resid 75 and name ca) (resid 75 and name c )  1.0 -90.0 20.0 2
  !!    r76
 assign (resid 75 and name c ) (resid 76 and name n ) 
        (resid 76 and name ca) (resid 76 and name c )   1.0 -60.0 20.0 2
  !!    a77
 assign (resid 76 and name c ) (resid 77 and name n ) 
        (resid 77 and name ca) (resid 77 and name c )   1.0  -85.0 20.0 2
  !!    q78
 assign (resid 77 and name c ) (resid 78 and name n ) 
        (resid 78 and name ca) (resid 78 and name c )   1.0  60.0 20.0 2

  !!    q79
 assign (resid 78 and name c ) (resid 79 and name n ) 
        (resid 79 and name ca) (resid 79 and name c )   1.0  -115.0 25.0 2
  !!    f80
 assign (resid 79 and name c ) (resid 80 and name n ) 
        (resid 80 and name ca) (resid 80 and name c )   1.0  -80.0 20.0 2
  !!    v81
 assign (resid 80 and name c ) (resid 81 and name n ) 
        (resid 81 and name ca) (resid 81 and name c )   1.0 -125.0 20.0 2
  !!    s82
 assign (resid 81 and name c ) (resid 82 and name n ) 
        (resid 82 and name ca) (resid 82 and name c )   1.0 -70.0 20.0 2
  !!    t83
 assign (resid 82 and name c ) (resid 83 and name n )
        (resid 83 and name ca) (resid 83 and name c )   1.0 -110.0 40.0 2
  !!    k84
 assign (resid 83 and name c ) (resid 84 and name n ) 
        (resid 84 and name ca) (resid 84 and name c )   1.0  -140.0 20.0 2
  !!    i85
 assign (resid 84 and name c ) (resid 85 and name n ) 
        (resid 85 and name ca) (resid 85 and name c )   1.0  -150.0 20.0 2
  !!    n86
 assign (resid 85 and name c ) (resid 86 and name n ) 
        (resid 86 and name ca) (resid 86 and name c )   1.0  -85.0 20.0 2
  !!    l87
 assign (resid 86 and name c ) (resid 87 and name n )
        (resid 87 and name ca) (resid 87 and name c )   1.0 -75.0 20.0 2
  !!    d88
 assign (resid 87 and name c ) (resid 88 and name n ) 
        (resid 88 and name ca) (resid 88 and name c )   1.0 -70.0 20.0 2
  !!    d89
 assign (resid 88 and name c ) (resid 89 and name n )
        (resid 89 and name ca) (resid 89 and name c )   1.0 -60.0 20.0 2
  !!    h90
 assign (resid 89 and name c ) (resid 90 and name n ) 
        (resid 90 and name ca) (resid 90 and name c )   1.0 -135.0 20.0 2
  !!    i91
 assign (resid 90 and name c ) (resid 91 and name n ) 
        (resid 91 and name ca) (resid 91 and name c )   1.0  -85.0 20.0 2
  !!    a92
 assign (resid 91 and name c ) (resid 92 and name n ) 
        (resid 92 and name ca) (resid 92 and name c )   1.0  -125.0 20.0 2
  !!    n93
 assign (resid 92 and name c ) (resid 93 and name n ) 
        (resid 93 and name ca) (resid 93 and name c )   1.0 -105.0 20.0 2
  !!    i94
 assign (resid 93 and name c ) (resid 94 and name n ) 
        (resid 94 and name ca) (resid 94 and name c )   1.0 -110.0 25.0 2
  !!    d95
 assign (resid 94 and name c ) (resid 95 and name n ) 
        (resid 95 and name ca) (resid 95 and name c )   1.0 50.0 15.0 2
  !!    g96
 assign (resid 95 and name c ) (resid 96 and name n ) 
        (resid 96 and name ca) (resid 96 and name c )   1.0  80.0 30.0 2
  !!    t97
 assign (resid 96 and name c ) (resid 97 and name n ) 
        (resid 97 and name ca) (resid 97 and name c )   1.0 -130.0 25.0 2
  !!    l98
 assign (resid 97 and name c ) (resid 98 and name n ) 
        (resid 98 and name ca) (resid 98 and name c )   1.0 -70.0 30.0 2
  !!    k99
 assign (resid 98 and name c ) (resid 99 and name n ) 
        (resid 99 and name ca) (resid 99 and name c )   1.0 -140.0 20.0 2
  !!    y100
 assign (resid 99 and name c ) (resid 100 and name n ) 
        (resid 100 and name ca) (resid 100 and name c )   1.0 -70.0 25.0 2
  !!    e101
 assign (resid 100 and name c ) (resid 101 and name n ) 
        (resid 101 and name ca) (resid 101 and name c )   1.0  -140.0 20.0 2

!psi restraints

 !!   l1
 assign (resid 1 and name n) (resid 1 and name ca)
        (resid 1 and name c) (resid 2 and name n) 1.0 140.0 30.0 2
 !! g2
 assign (resid 2 and name n) (resid 2 and name ca)
        (resid 2 and name c) (resid 3 and name n) 1.0 -160.0 40.0 2
 !!    k3
 assign (resid  3  and name n ) (resid  3  and name ca )
        (resid  3  and name c ) (resid  4  and name n )   1.0  40.0 35.0 2
 !!    f4
 assign (resid  4  and name n ) (resid  4  and name ca )
        (resid  4  and name c ) (resid  5  and name n )   1.0  -45.0 35.0 2
 !!    s5
 assign (resid  5  and name n ) (resid  5  and name ca )
        (resid  5  and name c ) (resid  6  and name n )   1.0  -20.0 30.0 2
 !!    q6
 assign (resid  6  and name n ) (resid  6  and name ca )
        (resid  6  and name c ) (resid  7  and name n )   1.0  -30.0 40.0 2
 !!    c8
 assign (resid  8  and name n ) (resid  8  and name ca )
        (resid  8  and name c ) (resid  9  and name n )   1.0  150.0 30.0 2
 !!    y9
 assign (resid  9  and name n ) (resid  9  and name ca )
        (resid  9  and name c ) (resid  10  and name n )   1.0  160.0 30.0 2
 !!    n10
 assign (resid  10  and name n ) (resid  10  and name ca )
        (resid  10  and name c ) (resid  11  and name n )   1.0  40.0 30.0 2
 !!    s11
 assign (resid  11  and name n ) (resid  11  and name ca )
        (resid  11  and name c ) (resid  12  and name n )   1.0  140.0 30.0 2
 !!    a12
 assign (resid  12  and name n ) (resid  12  and name ca )
        (resid  12  and name c ) (resid  13  and name n )   1.0  155.0 30.0 2
 !!    i13
 assign (resid  13  and name n ) (resid  13  and name ca )
        (resid  13  and name c ) (resid  14  and name n )   1.0  135.0 30.0 2
 !!    q14
 assign (resid  14  and name n ) (resid  14  and name ca )
        (resid  14  and name c ) (resid  15  and name n )   1.0  135.0 30.0 2
 !!    g15
 assign (resid  15  and name n ) (resid  15  and name ca )
        (resid  15  and name c ) (resid  16  and name n )   1.0  -130.0 30.0 2
 !!    s16
 assign (resid  16  and name n ) (resid  16  and name ca )
        (resid  16  and name c ) (resid  17  and name n )   1.0  30.0 40.0 2
 !!    v17
 assign (resid  17  and name n ) (resid  17  and name ca )
        (resid  17  and name c ) (resid  18  and name n )   1.0  120.0 30.0 2
 !!    l18
 assign (resid  18  and name n ) (resid  18  and name ca )
        (resid  18  and name c ) (resid  19  and name n )   1.0  130.0 30.0 2
 !!    t19
 assign (resid  19  and name n ) (resid  19  and name ca )
        (resid  19  and name c ) (resid  20  and name n )   1.0  135.0 30.0 2
 !! s20
 assign (resid  20  and name n ) (resid  20  and name ca )
        (resid  20  and name c ) (resid  21  and name n )   1.0  135.0 30.0 2
!!    t21
 assign (resid  21  and name n ) (resid  21  and name ca )
        (resid  21  and name c ) (resid  22  and name n )   1.0  130.0 30.0 2
 !!    c22
 assign (resid  22  and name n ) (resid  22  and name ca )
        (resid  22  and name c ) (resid  23  and name n )   1.0  130.0 30.0 2
 !!    e23
 assign (resid  23  and name n ) (resid  23  and name ca )
        (resid  23  and name c ) (resid  24  and name n )   1.0  130.0 30.0 2
!!      r24
 assign (resid 24 and name n) (resid 24 and name ca)
        (resid 24 and name c) (resid 25 and name n) 1.0 150.0 40.0 2
 !!    t25
 assign (resid  25  and name n ) (resid  25  and name ca )
        (resid  25  and name c ) (resid  26  and name n )   1.0  -40.0 30.0 2
 !!    n26
 assign (resid  26  and name n ) (resid  26  and name ca )
        (resid  26  and name c ) (resid  27  and name n )   1.0  30.0 30.0 2
 !!    g27
 assign (resid 27 and name n) (resid 27 and name ca)
        (resid 27 and name c) (resid 28 and name n)   1.0 180.0 60.0 2
 !!    g28
 assign (resid  28  and name n ) (resid  28  and name ca )
        (resid  28  and name c ) (resid  29  and name n )   1.0 -160.0 60.0 2
 !!    y29
 assign (resid  29  and name n ) (resid  29  and name ca )
        (resid  29  and name c ) (resid  30  and name n )   1.0  150.0 30.0 2
 !!    n30
 assign (resid  30  and name n ) (resid  30  and name ca )
        (resid  30  and name c ) (resid  31  and name n )   1.0  140.0 30.0 2
 !!    t31
 assign (resid  31  and name n ) (resid  31  and name ca )
        (resid  31  and name c ) (resid  32  and name n )   1.0  140.0 30.0 2
 !!    s32
 assign (resid  32  and name n ) (resid  32  and name ca )
        (resid  32  and name c ) (resid  33  and name n )   1.0  145.0 30.0 2
 !!    s33
 assign (resid  33  and name n ) (resid  33  and name ca )
        (resid  33  and name c ) (resid  34  and name n )   1.0  150.0 30.0 2
 !!    i34
 assign (resid  34  and name n ) (resid  34  and name ca )
        (resid  34  and name c ) (resid  35  and name n )   1.0  150.0 30.0 2
 !!    d35
 assign (resid  35  and name n ) (resid  35  and name ca )
        (resid  35  and name c ) (resid  36  and name n )   1.0 115.0 30.0 2
 !!    l36
 assign (resid  36  and name n ) (resid  36  and name ca )
        (resid  36  and name c ) (resid  37  and name n )   1.0  -20.0 30.0 2
 !!    n37
 assign (resid  37  and name n ) (resid  37  and name ca )
        (resid  37  and name c ) (resid  38  and name n )   1.0 -35.0 30.0 2
 !!    s38
 assign (resid  38  and name n ) (resid  38  and name ca )
        (resid  38  and name c ) (resid  39  and name n )   1.0  0.0 30.0 2
!!    w39
 assign (resid  39  and name n ) (resid  39  and name ca )
        (resid  39  and name c ) (resid  40  and name n )   1.0  0.0 30.0 2

 !!    i40
 assign (resid  40  and name n ) (resid  40  and name ca )
        (resid  40  and name c ) (resid  41  and name n )   1.0  135.0 30.0 2
 !!    e41
 assign (resid  41  and name n ) (resid  41  and name ca )
        (resid  41  and name c ) (resid  42  and name n )   1.0  180.0 40.0 2
 !!    n42
 assign (resid  42  and name n ) (resid  42  and name ca )
        (resid  42  and name c ) (resid  43  and name n )   1.0  120.0 35.0 2
 !!    v43
 assign (resid  43  and name n ) (resid  43  and name ca )
        (resid  43  and name c ) (resid  44  and name n )   1.0  120.0 30.0 2
!!    d44
 assign (resid  44  and name n ) (resid  44  and name ca )
        (resid  44  and name c ) (resid  45  and name n )   1.0  40.0 30.0 2
!!    g45
 assign (resid  45  and name n ) (resid  45  and name ca )
        (resid  45  and name c ) (resid  46  and name n )   1.0  0.0 30.0 2
!!    s46
 assign (resid  46  and name n ) (resid  46  and name ca )
        (resid  46  and name c ) (resid  47  and name n )   1.0  150.0 30.0 2
!!    l47
 assign (resid  47  and name n ) (resid  47  and name ca )
        (resid  47  and name c ) (resid  48  and name n )   1.0  135.0 30.0 2
 !!    k48
 assign (resid  48  and name n ) (resid  48  and name ca )
        (resid  48  and name c ) (resid  49  and name n )   1.0  160.0 40.0 2
 !!    w49
 assign (resid  49  and name n ) (resid  49  and name ca )
        (resid  49  and name c ) (resid  50  and name n )   1.0  110.0 50.0 2
 !!    n50
 assign (resid  50  and name n ) (resid  50  and name ca )
        (resid  50  and name c ) (resid  51  and name n )   1.0  140.0 30.0 2
!!    p51
 assign (resid  51  and name n ) (resid  51  and name ca )
        (resid  51  and name c ) (resid  52  and name n )   1.0  145.0 40.0 2
 !!    n53
 assign (resid  53  and name n ) (resid  53  and name ca )
        (resid  53  and name c ) (resid  54  and name n )   1.0  45.0 30.0 2

 !!    f54
 assign (resid  54  and name n ) (resid  54  and name ca )
        (resid  54  and name c ) (resid  55  and name n )   1.0  -40.0 30.0 2
 !!    i55
 assign (resid  55  and name n ) (resid  55  and name ca )
        (resid  55  and name c ) (resid  56  and name n )   1.0  0.0 60.0 2
 !!    e56
 assign (resid  56  and name n ) (resid  56  and name ca )
        (resid  56  and name c ) (resid  57  and name n )   1.0  -50.0 30.0 2
 !!    t57
 assign (resid  57  and name n ) (resid  57  and name ca )
        (resid  57  and name c ) (resid  58  and name n )   1.0  30.0 50.0 2
 !!    c58
 assign (resid  58  and name n ) (resid  58  and name ca )
        (resid  58  and name c ) (resid  59  and name n )   1.0  150.0 30.0 2
 !!    r59
 assign (resid  59  and name n ) (resid  59  and name ca )
        (resid  59  and name c ) (resid  60  and name n )   1.0  160.0 30.0 2
 !!    n60
 assign (resid  60  and name n ) (resid  60  and name ca )
        (resid  60  and name c ) (resid  61  and name n )   1.0  40.0 30.0 2
 !!    t61
 assign (resid  61  and name n ) (resid  61  and name ca )
        (resid  61  and name c ) (resid  62  and name n )   1.0  135.0 30.0 2
 !!    q62
 assign (resid  62  and name n ) (resid  62  and name ca )
        (resid  62  and name c ) (resid  63  and name n )   1.0  160.0 30.0 2
 !!    l63
 assign (resid  63  and name n ) (resid  63  and name ca )
        (resid  63  and name c ) (resid  64  and name n )   1.0  130.0 40.0 2
 !!    a64
 assign (resid  64  and name n ) (resid  64  and name ca )
        (resid  64  and name c ) (resid  65  and name n )   1.0  130.0 30.0 2
!!    g65
 assign (resid  65  and name n ) (resid  65  and name ca )
        (resid  65  and name c ) (resid  66  and name n )   1.0  -170.0 40.0 2

 !!    s66
 assign (resid  66  and name n ) (resid  66  and name ca )
        (resid  66  and name c ) (resid  67  and name n )   1.0  -30.0 30.0 2
!!    s67
 assign (resid  67  and name n ) (resid  67  and name ca )
        (resid  67  and name c ) (resid  68  and name n )   1.0  0.0 30.0 2

 !!    e68
 assign (resid  68  and name n ) (resid  68  and name ca )
        (resid  68  and name c ) (resid  69  and name n )   1.0  140.0 30.0 2
 !!    l69
 assign (resid  69  and name n ) (resid  69  and name ca )
        (resid  69  and name c ) (resid  70  and name n )   1.0  120.0 30.0 2
 !!    a70
 assign (resid  70  and name n ) (resid  70  and name ca )
        (resid  70  and name c ) (resid  71  and name n )   1.0  140.0 30.0 2
 !!    a71
 assign (resid  71  and name n ) (resid  71  and name ca )
        (resid  71  and name c ) (resid  72  and name n )   1.0  155.0 30.0 2
 !!    e72
 assign (resid  72  and name n ) (resid  72  and name ca )
        (resid  72  and name c ) (resid  73  and name n )   1.0  140.0 30.0 2
 !!    c73
 assign (resid  73  and name n ) (resid  73  and name ca )
        (resid  73  and name c ) (resid  74  and name n )   1.0  130.0 30.0 2
 !!    k74
 assign (resid  74  and name n ) (resid  74  and name ca )
        (resid  74  and name c ) (resid  75  and name n )   1.0  130.0 30.0 2
 !!    t75
 assign (resid  75  and name n ) (resid  75  and name ca )
        (resid  75  and name c ) (resid  76  and name n )   1.0  -170.0 30.0 2
 !!    a76
 assign (resid  76  and name n ) (resid  76  and name ca )
        (resid  76  and name c ) (resid  77  and name n )   1.0  -40.0 30.0 2
 !!    a77
 assign (resid  77  and name n ) (resid  77  and name ca )
        (resid  77  and name c ) (resid  78  and name n )   1.0  0.0 30.0 2
 !!    q78
 assign (resid  78  and name n ) (resid  78  and name ca )
        (resid  78  and name c ) (resid  79  and name n )   1.0  40.0 30.0 2
 !!    q79
 assign (resid  79  and name n ) (resid  79  and name ca )
        (resid  79  and name c ) (resid  80  and name n )   1.0  140.0 30.0 2
!!    f80
 assign (resid  80  and name n ) (resid  80  and name ca )
        (resid  80  and name c ) (resid  81  and name n )   1.0  130.0 30.0 2
 !!    v81
 assign (resid  81  and name n ) (resid  81  and name ca )
        (resid  81  and name c ) (resid  82  and name n )   1.0  130.0 35.0 2
!!    s82
 assign (resid  82  and name n ) (resid  82  and name ca )
        (resid  82  and name c ) (resid  83  and name n )   1.0  130.0 30.0 2
 !!    t83
 assign (resid  83  and name n ) (resid  83  and name ca )
        (resid  83  and name c ) (resid  84  and name n )   1.0  140.0 30.0 2
 !!    k84
 assign (resid  84  and name n ) (resid  84  and name ca )
        (resid  84  and name c ) (resid  85  and name n )   1.0  150.0 30.0 2
! !!    i85
 assign (resid  85  and name n ) (resid  85  and name ca )
        (resid  85  and name c ) (resid  86  and name n )   1.0  150.0 30.0 2
!!    n86
 assign (resid  86  and name n ) (resid  86  and name ca )
        (resid  86  and name c ) (resid  87  and name n )   1.0 120.0 30.0 2
 !!    l87
 assign (resid  87  and name n ) (resid  87  and name ca )
        (resid  87  and name c ) (resid  88  and name n )   1.0  -40.0 30.0 2
 !!    d88
 assign (resid  88  and name n ) (resid  88  and name ca )
        (resid  88  and name c ) (resid  89  and name n )   1.0  -20.0 30.0 2
 !!    d89
 assign (resid  89  and name n ) (resid  89  and name ca )
        (resid  89  and name c ) (resid  90  and name n )   1.0  -30.0 30.0 2
!!    h90
 assign (resid  90  and name n ) (resid  90  and name ca )
        (resid  90  and name c ) (resid  91  and name n )   1.0  -10.0 30.0 2
!!    i91
 assign (resid  91  and name n ) (resid  91  and name ca )
        (resid  91  and name c ) (resid  92  and name n )   1.0  110.0 30.0 2
 !!    a92
 assign (resid  92  and name n ) (resid  92  and name ca )
        (resid  92  and name c ) (resid  93  and name n )   1.0  160.0 30.0 2
 !!    n93
 assign (resid  93  and name n ) (resid  93  and name ca )
        (resid  93  and name c ) (resid  94  and name n )   1.0  120.0 30.0 2
 !!    i94
 assign (resid  94  and name n ) (resid  94  and name ca )
        (resid  94  and name c ) (resid  95  and name n )   1.0  110.0 30.0 2
!!    d95
 assign (resid  95  and name n ) (resid  95  and name ca )
        (resid  95  and name c ) (resid  96  and name n )   1.0  50.0 20.0 2
 !!    g96
 assign (resid  96  and name n ) (resid  96  and name ca )
        (resid  96  and name c ) (resid  97  and name n )   1.0  2.5 22.5 2
 !!    t97
 assign (resid  97  and name n ) (resid  97  and name ca )
        (resid  97  and name c ) (resid  98  and name n )   1.0  120.0 30.0 2
!!    l98
 assign (resid  98  and name n ) (resid  98  and name ca )
        (resid  98  and name c ) (resid  99  and name n )   1.0  130.0 30.0 2
 !!    k99
 assign (resid  99  and name n ) (resid  99  and name ca )
        (resid  99  and name c ) (resid  100  and name n )   1.0  150.0 30.0 2
 !!    y100
 assign (resid  100  and name n ) (resid  100  and name ca )
        (resid  100  and name c ) (resid  101  and name n )   1.0  130.0 30.0 2


!remark chi angle constraints

!    l1
assign (resid 1 and name n) (resid 1 and name ca)
       (resid 1 and name cb) (resid 1 and name cg) 1.0 -60.0 20.0 2

!k3
assign (resid 3 and name n) (resid 3 and name ca)
       (resid 3 and name cb) (resid 3 and name cg) 1.0 -60.0 20.0 2

!!   f4
 assign (resid 4 and name n ) (resid 4 and name ca)
        (resid 4 and name cb) (resid 4 and name cg)  1.0 60.0 25.0 2

!! q6  

assign (resid 6 and name n) (resid 6 and name ca)
       (resid 6 and name cb) (resid 6 and name cg) 1.0 -60.0 20.0 2
assign (resid 6 and name ca) (resid 6 and name cb)
       (resid 6 and name cg) (resid 6 and name cd) 1.0 180.0 20.0 2



!!t7
assign (resid 7 and name n) (resid 7 and name ca)
       (resid 7 and name cb) (resid 7 and name og1) 1.0 60.0 20.0 2

!!   c8
 assign (resid 8 and name n ) (resid 8 and name ca)
        (resid 8 and name cb) (resid 8 and name sg)  1.0 -60.0 20.0 2
!!   y9
 assign (resid 9 and name n ) (resid 9 and name ca)
        (resid 9 and name cb) (resid 9 and name cg)  1.0 60.0 25.0 2

!n10
assign (resid 10 and name n) (resid 10 and name ca)
       (resid 10 and name cb) (resid 10 and name cg) 1.0 -60.0 30.0 2

!s11
assign (resid 11 and name n) (resid 11 and name ca)
       (resid 11 and name cb) (resid 11 and name og) 1.0 -60.0 20.0 2

!!   i13
 assign (resid 13 and name n ) (resid 13 and name ca)
        (resid 13 and name cb) (resid 13 and name cg1) 1.0  -60.0 20.0 2

!!q14
assign (resid 14 and name n) (resid 14 and name ca)
       (resid 14 and name cb) (resid 14 and name cg) 1.0 180.0 20.0 2

!!s16
assign (resid 16 and name n) (resid 16 and name ca)
       (resid 16 and name cb) (resid 16 and name og) 1.0 60.0 20.0 2
!!   v17
 assign (resid 17 and name n ) (resid 17 and name ca)
        (resid 17 and name cb) (resid 17 and name cg1)  1.0 180.0 20.0 2
!!  l18
 assign (resid 18 and name n ) (resid 18 and name ca)
        (resid 18 and name cb) (resid 18 and name cg)  1.0 180.0 20.0 2
!!   t19
 assign (resid 19 and name n ) (resid 19 and name ca)
        (resid 19 and name cb) (resid 19 and name og1)  1.0 -60.0 20.0 2

!!s20
 assign (resid 20 and name n) (resid 20 and name ca)
        (resid 20 and name cb) (resid 20 and name og) 1.0 180.0 20.0 2
!!   t21
 assign (resid 21 and name n ) (resid 21 and name ca)
        (resid 21 and name cb) (resid 21 and name og1)  1.0 -60.0 20.0 2
!!   c22
 assign (resid 22 and name n ) (resid 22 and name ca)
        (resid 22 and name cb) (resid 22 and name sg)  1.0 -60.0 20.0 2

!!  e23 
 assign (resid 23 and name n) (resid 23 and name ca)
         (resid 23 and name cb) (resid 23 and name cg) 1.0 180.0 20.0 2
 assign (resid 23 and name ca) (resid 23 and name cb)
        (resid 23 and name cg) (resid 23 and name cd) 1.0 180.0 20.0 2

!! r24
 assign (resid 24 and name n) (resid 24 and name ca)
        (resid 24 and name cb) (resid 24 and name cg) 1.0 -60.0 20.0 2

!!   y29
 assign (resid 29 and name n ) (resid 29 and name ca)
        (resid 29 and name cb) (resid 29 and name cg)  1.0 -60.0 20.0 2

!! n30
 assign (resid 30 and name n) (resid 30 and name ca)
        (resid 30 and name cb) (resid 30 and name cg) 1.0 180.0 20.0 2


!!   t31
 assign (resid 31 and name n ) (resid 31 and name ca)
        (resid 31 and name cb) (resid 31 and name og1)  1.0 -60.0 20.0 2

!!s32
assign (resid 32 and name n) (resid 32 and name ca)
       (resid 32 and name cb) (resid 32 and name og) 1.0 60.0 20.0 2

!!s33
assign (resid 33 and name n) (resid 33 and name ca)
       (resid 33 and name cb) (resid 33 and name og) 1.0 -60.0 20.0 2
!!   i34
 assign (resid 34 and name n ) (resid 34 and name ca)
        (resid 34 and name cb) (resid 34 and name cg1) 1.0  180.0 20.0 2

!d35
assign (resid 35 and name n) (resid 35 and name ca)
       (resid 35 and name cb) (resid 35 and name cg) 1.0 180.0 20.0 2
!!  l36
 assign (resid 36 and name n ) (resid 36 and name ca)
        (resid 36 and name cb) (resid 36 and name cg)  1.0 -60.0 20.0 2

!!n37
assign (resid 37 and name n) (resid 37 and name ca)
       (resid 37 and name cb) (resid 37 and name cg) 1.0 180.0 20.0 2
assign (resid 37 and name ca) (resid 37 and name cb)
       (resid 37 and name cg) (resid 37 and name od1) 1.0 -70.0 40.0 2

!s38
assign (resid 38 and name n) (resid 38 and name ca)
       (resid 38 and name cb) (resid 38 and name og) 1.0 60.0 20.0 2

!!   v39
 assign (resid 39 and name n ) (resid 39 and name ca)
        (resid 39 and name cb) (resid 39 and name cg1)  1.0 -60.0 20.0 2

!!   i40
 assign (resid 40 and name n ) (resid 40 and name ca)
        (resid 40 and name cb) (resid 40 and name cg1) 1.0  -60.0 20.0 2

!e41
 assign (resid 41 and name n) (resid 41 and name ca)
        (resid 41 and name cb) (resid 41 and name cg) 1.0 180.0 20.0 2
 assign (resid 41 and name ca) (resid 41 and name cb)
        (resid 41 and name cg) (resid 41 and name cd) 1.0 180.0 30.0 2

!!   v43
 assign (resid 43 and name n ) (resid 43 and name ca)
        (resid 43 and name cb) (resid 43 and name cg1)  1.0 180.0 20.0 2

!!d44
  assign (resid 44 and name n) (resid 44 and name ca)
         (resid 44 and name cb) (resid 44 and name cg) 1.0 180.0 25.0 2
!!  l47
 assign (resid 47 and name n ) (resid 47 and name ca)
        (resid 47 and name cb) (resid 47 and name cg)  1.0 -60.0 20.0 2

!! k48 
assign (resid 48 and name n) (resid 48 and name ca)
       (resid 48 and name cb) (resid 48 and name cg) 1.0 -60.0 20.0 2

!!   w49
 assign (resid 49 and name n ) (resid 49 and name ca)
        (resid 49 and name cb) (resid 49 and name cg)  1.0 -60.0 25.0 2

!!n53
assign (resid 53 and name n) (resid 53 and name ca)
       (resid 53 and name cb) (resid 53 and name cg) 1.0 180.0 20.0 2
assign (resid 53 and name ca) (resid 53 and name cb)
       (resid 53 and name cg) (resid 53 and name od1) 1.0 0.0 30.0 2

!!   f54
 assign (resid 54 and name n ) (resid 54 and name ca)
        (resid 54 and name cb) (resid 54 and name cg)   1.0   65.0 20.0 2

!!   i55
 assign (resid 55 and name n ) (resid 55 and name ca)
        (resid 55 and name cb) (resid 55 and name cg1) 1.0  180.0 20.0 2   

!!e56
assign (resid 56 and name n) (resid 56 and name ca)
       (resid 56 and name cb) (resid 56 and name cg) 1.0 180.0 20.0 2
!!   t57
 assign (resid 57 and name n ) (resid 57 and name ca)
        (resid 57 and name cb) (resid 57 and name og1)  1.0 60.0 20.0 2
!!   c58
 assign (resid 58 and name n ) (resid 58 and name ca)
        (resid 58 and name cb) (resid 58 and name sg)  1.0 -60.0 20.0 2

!!r59
  assign (resid 59 and name n) (resid 59 and name ca)
         (resid 59 and name cb) (resid 59 and name cg) 1.0 60.0 20.0 2
  assign (resid 59 and name ca) (resid 59 and name cb)
         (resid 59 and name cg) (resid 59 and name cd) 1.0 180.0 25.0 2
  assign (resid 59 and name cb) (resid 59 and name cg)
         (resid 59 and name cd) (resid 59 and name ne) 1.0 180.0 30.0 2
  assign (resid 59 and name cg) (resid 59 and name cd)
         (resid 59 and name ne) (resid 59 and name cz) 1.0 180.0 40.0 2

!n60
assign (resid 60 and name n) (resid 60 and name ca)
       (resid 60 and name cb) (resid 60 and name cg) 1.0 180.0 20.0 2

!!   t61
 assign (resid 61 and name n ) (resid 61 and name ca)
        (resid 61 and name cb) (resid 61 and name og1)  1.0 60.0 20.0 2
!!  l63
 assign (resid 63 and name n ) (resid 63 and name ca)
        (resid 63 and name cb) (resid 63 and name cg)  1.0 180.0 20.0 2

!! e68
 assign (resid 68 and name n) (resid 68 and name ca)
        (resid 68 and name cb) (resid 68 and name cg) 1.0 -60.0 20.0 2

!!  l69
 assign (resid 69 and name n ) (resid 69 and name ca)
        (resid 69 and name cb) (resid 69 and name cg)  1.0 180.0 20.0 2

!e72
 assign (resid 72 and name n) (resid 72 and name ca)
        (resid 72 and name cb) (resid 72 and name cg) 1.0 -60.0 20.0 2

!!   c73
 assign (resid 73 and name n ) (resid 73 and name ca)
        (resid 73 and name cb) (resid 73 and name sg)  1.0 -60.0 20.0 2

!k74
 assign (resid 74 and name n) (resid 74 and name ca)
       (resid 74 and name cb) (resid 74 and name cg) 1.0 -60.0 20.0 2
 assign (resid 74 and name ca) (resid 74 and name cb)
        (resid 74 and name cg) (resid 74 and name cd) 1.0 180.0 20.0 2

 assign (resid 74 and name cb) (resid 74 and name cg)
        (resid 74 and name cd) (resid 74 and name ce) 1.0 60.0 20.0 2
 assign (resid 74 and name cg) (resid 74 and name cd)
        (resid 74 and name ce) (resid 74 and name nz) 1.0 180.0 20.0 2

!!   t75
 assign (resid 75 and name n ) (resid 75 and name ca)
        (resid 75 and name cb) (resid 75 and name og1)  1.0 60.0 20.0 2

!! r76
 assign (resid 76 and name n) (resid 76 and name ca)
        (resid 76 and name cb) (resid 76 and name cg) 1.0 -60.0 20.0 2
 assign (resid 76 and name ca) (resid 76 and name cb)
        (resid 76 and name cg) (resid 76 and name cd) 1.0 180.0 20.0 2

!!q78
 assign (resid 78 and name n) (resid 78 and name ca)
        (resid 78 and name cb) (resid 78 and name cg) 1.0 -60.0 20.0 2
 assign (resid 78 and name ca) (resid 78 and name cb)
        (resid 78 and name cg) (resid 78 and name cd) 1.0 -60.0 40.0 2
 assign (resid 78 and name cb) (resid 78 and name cb)
        (resid 78 and name cg) (resid 78 and name cd) 1.0 -60.0 50.0 2


!!   f80
 assign (resid 80 and name n ) (resid 80 and name ca)
        (resid 80 and name cb) (resid 80 and name cg)   1.0   -60.0 20.0 2
!!   v81
 assign (resid 81 and name n ) (resid 81 and name ca)
        (resid 81 and name cb) (resid 81 and name cg1)  1.0 -60.0 20.0 2

!s82
assign (resid 82 and name n) (resid 82 and name ca)
       (resid 82 and name cb) (resid 82 and name og) 1.0 180.0 20.0 2

!t83
assign (resid 83 and name n) (resid 83 and name ca)
       (resid 83 and name cb) (resid 83 and name og1) 1.0 180.0 20.0 2

!! k84
assign (resid 84 and name n) (resid 84 and name ca)
       (resid 84 and name cb) (resid 84 and name cg) 1.0 60.0 20.0 2
!!   i85
 assign (resid 85 and name n ) (resid 85 and name ca)
        (resid 85 and name cb) (resid 85 and name cg1) 1.0  180.0 20.0 2  

!n86
assign (resid 86 and name n) (resid 86 and name ca)
       (resid 86 and name cb) (resid 86 and name cg) 1.0 180.0 20.0 2
assign (resid 86 and name ca) (resid 86 and name cb)
       (resid 86 and name cg) (resid 86 and name od1) 1.0 0.0 30.0 2

!!  l87
 assign (resid 87 and name n ) (resid 87 and name ca)
        (resid 87 and name cb) (resid 87 and name cg)  1.0 -60.0 20.0 2

!d88
 assign (resid 88 and name n) (resid 88 and name ca)
        (resid 88 and name cb) (resid 88 and name cg) 1.0 -60.0 30.0 2

!d89
assign (resid 89 and name n) (resid 89 and name ca)
       (resid 89 and name cb) (resid 89 and name cg) 1.0 -60.0 20.0 2

!!   h90
 assign (resid 90 and name n ) (resid 90 and name ca)
        (resid 90 and name cb) (resid 90 and name cg)  1.0  -70.0 12.0 2
!!   i91
 assign (resid 91 and name n ) (resid 91 and name ca)
        (resid 91 and name cb) (resid 91 and name cg1) 1.0  -60.0 20.0 2

!!n93
assign (resid 93 and name n) (resid 93 and name ca)
       (resid 93 and name cb) (resid 93 and name cg) 1.0 180.0 20.0 2

!! i94
 assign (resid 94 and name n) (resid 94 and name ca)
        (resid 94 and name cb) (resid 94 and name cg1) 1.0 -60.0 20.0 2

!!d95
assign (resid 95 and name n) (resid 95 and name ca)
       (resid 95 and name cb) (resid 95 and name cg) 1.0 180.0 25.0 2

!!t97
 assign (resid 97 and name n) (resid 97 and name ca)
        (resid 97 and name cb) (resid 97 and name og1) 1.0 -60.0 20.0 2

!!  l98
 assign (resid 98 and name n ) (resid 98 and name ca)
        (resid 98 and name cb) (resid 98 and name cg)  1.0 -60.0 20.0 2

!! k99
assign (resid 99 and name n) (resid 99 and name ca)
       (resid 99 and name cb) (resid 99 and name cg) 1.0 -60.0 20.0 2
assign (resid 99 and name ca) (resid 99 and name cb)
       (resid 99 and name cg) (resid 99 and name cd) 1.0 180.0 20.0 2

!!   y100
 assign (resid 100 and name n ) (resid 100 and name ca)
        (resid 100 and name cb) (resid 100 and name cg)   1.0   180.0 20.0 2

!! e101

assign (resid 101 and name n) (resid 101 and name ca) 
       (resid 101 and name cb) (resid 101 and name cg) 1.0 60.0 20.0 2
assign (resid 101 and name ca) (resid 101 and name cb)
       (resid 101 and name cg) (resid 101 and name cd) 1.0 180.0 20.0 2


!chi2 for phe and tyr
!! f4
 assign (resid 4 and name ca) (resid 4 and name cb)
        (resid 4 and name cg) (resid 4 and name cd1)   1.0   90.0 30.0 2
!! f54
 assign (resid 54 and name ca) (resid 54 and name cb)
        (resid 54 and name cg) (resid 54 and name cd1)   1.0   90.0 30.0 2
!! f80
 assign (resid 80 and name ca) (resid 80 and name cb)
        (resid 80 and name cg) (resid 80 and name cd1)   1.0   90.0 30.0 2
!! y9
 assign (resid 9 and name ca) (resid 9 and name cb)
        (resid 9 and name cg) (resid 9 and name cd1)   1.0   90.0 30.0 2
!! y29
 assign (resid 29 and name ca) (resid 29 and name cb)
        (resid 29 and name cg) (resid 29 and name cd1)   1.0   90.0 20.0 2
!! Y100
 assign (resid 100 and name ca) (resid 100 and name cb)
        (resid 100 and name cg) (resid 100 and name cd1)   1.0   90.0 40.0 2

!w49
assign (resid 49 and name ca) (resid 49 and name cb)
       (resid 49 and name cg) (resid 49 and name cd1) 1.0 90.0 30.0 2
!h90
assign (resid 90 and name ca) (resid 90 and name cb)
       (resid 90 and name cg) (resid 90 and name nd1) 1.0 -90.0 50.0 2


!!chi2 for leucines
! l1
  assign (resid 1 and name ca) (resid 1 and name cb)
         (resid 1 and name cg) (resid 1 and name cd1) 1.0 180.0 20.0 2
! l18
 assign (resid 18 and name ca) (resid 18 and name cb)
        (resid 18 and name cg) (resid 18 and name cd1) 1.0 60.0 20.0 2
! l36
 assign (resid 36 and name ca) (resid 36 and name cb)
        (resid 36 and name cg) (resid 36 and name cd1) 1.0 180.0 20.0 2
! l47 
 assign (resid 47 and name ca) (resid 47 and name cb)
        (resid 47 and name cg) (resid 47 and name cd1) 1.0 180.0 20.0 2
! l63 
 assign (resid 63 and name ca) (resid 63 and name cb)
        (resid 63 and name cg) (resid 63 and name cd1) 1.0 60.0 20.0 2
! l69 
 assign (resid 69 and name ca) (resid 69 and name cb)
        (resid 69 and name cg) (resid 69 and name cd1) 1.0 60.0 20.0 2
! l87 
assign (resid 87 and name ca) (resid 87 and name cb)
        (resid 87 and name cg) (resid 87 and name cd1) 1.0 180.0 20.0 2

! l98 
 assign (resid 98 and name ca) (resid 98 and name cb)
        (resid 98 and name cg) (resid 98 and name cd1) 1.0 180.0 20.0 2

!!chi2 for isoleucines
! i13
 assign (resid 13 and name ca)  (resid 13 and name cb)
        (resid 13 and name cg1) (resid 13 and name cd1) 1.0 180.0 20.0 2
! i34
 assign (resid 34 and name ca)  (resid 34 and name cb)
        (resid 34 and name cg1) (resid 34 and name cd1) 1.0 180.0 20.0 2
! i40
 assign (resid 40 and name ca)  (resid 40 and name cb)
        (resid 40 and name cg1) (resid 40 and name cd1) 1.0 180.0 20.0 2
! i55
 assign (resid 55 and name ca)  (resid 55 and name cb)
        (resid 55 and name cg1) (resid 55 and name cd1) 1.0 60.0 20.0 2
! i85
 assign (resid 85 and name ca)  (resid 85 and name cb)
        (resid 85 and name cg1) (resid 85 and name cd1) 1.0 180.0 20.0 2
! i91
 assign (resid 91 and name ca) (resid 91 and name cb)
        (resid 91 and name cg1) (resid 91 and name cd1) 1.0 -60.0 20.0 2

! i94
 assign (resid 94 and name ca)  (resid 94 and name cb)
        (resid 94 and name cg1) (resid 94 and name cd1) 1.0 180.0 20.0 2



!disulfide
 assign (resid 8 and name ca) (resid 8 and name cb)
        (resid 8 and name sg) (resid 22 and name sg) 1.0 -90.0 40.0 2
 assign (resid 8 and name cb) (resid 8 and name sg)
        (resid 22 and name sg) (resid 22 and name cb) 1.0 90.0 40.0 2
 assign (resid 8 and name sg) (resid 22 and name sg)
        (resid 22 and name cb) (resid 22 and name ca) 1.0 -90.0 40.0 2


 assign (resid 58 and name ca) (resid 58 and name cb)
        (resid 58 and name sg) (resid 73 and name sg) 1.0 -90.0 40.0 2
 assign (resid 58 and name cb) (resid 58 and name sg)
        (resid 73 and name sg) (resid 73 and name cb) 1.0 90.0 40.0 2
 assign (resid 58 and name sg) (resid 73 and name sg)
        (resid 73 and name cb) (resid 73 and name ca) 1.0 -90.0 40.0 2



!chi2 of Asp
assign (resid 35 and name ca) (resid 35 and name cb)
        (resid 35 and name cg) (resid 35 and name od1) 1.0 0.0 50.0 2 

assign (resid 44 and name ca) (resid 44 and name cb)
        (resid 44 and name cg) (resid 44 and name od1) 1.0 0.0 50.0 2 

assign (resid 88 and name ca) (resid 88 and name cb)
        (resid 88 and name cg) (resid 88 and name od1) 1.0 0.0 50.0 2 

assign (resid 89 and name ca) (resid 89 and name cb)
        (resid 89 and name cg) (resid 89 and name od1) 1.0 0.0 50.0 2 

assign (resid 95 and name ca) (resid 95 and name cb)
        (resid 95 and name cg) (resid 95 and name od1) 1.0 0.0 50.0 2 


!chi3 of Glu
assign (resid 23 and name cb) (resid 23 and name cg)
       (resid 23 and name cd) (resid 23 and name oe1) 1.0 0.0 60.0 2
assign (resid 41 and name cb) (resid 41 and name cg)
       (resid 41 and name cd) (resid 41 and name oe1) 1.0 0.0 60.0 2
assign (resid 56 and name cb) (resid 56 and name cg)
       (resid 56 and name cd) (resid 56 and name oe1) 1.0 0.0 60.0 2
assign (resid 68 and name cb) (resid 68 and name cg)
       (resid 68 and name cd) (resid 68 and name oe1) 1.0 0.0 60.0 2
assign (resid 72 and name cb) (resid 72 and name cg)
       (resid 72 and name cd) (resid 72 and name oe1) 1.0 0.0 60.0 2
assign (resid 101 and name cb) (resid 101 and name cg)
       (resid 101 and name cd) (resid 101 and name oe1) 1.0 0.0 60.0 2





!q50
assign (resid 50 and name n) (resid 50 and name ca)
       (resid 50 and name cb) (resid 50 and name cg) 1.0 180.0 20.0 2
assign (resid 50 and name ca) (resid 50 and name cb)
       (resid 50 and name cg) (resid 50 and name cd) 1.0 180.0 30.0 2



assign (resid 93 and name ca) (resid 93 and name cb)
       (resid 93 and name cg) (resid 93 and name od1) 1.0 0.0 50.0 2


!n42
assign (resid 42 and name n) (resid 42 and name ca)
       (resid 42 and name cb) (resid 42 and name cg) 1.0 180.0 20.0 2

assign (resid 42 and name ca) (resid 42 and name cb)
       (resid 42 and name cg) (resid 42 and name od1) 1.0 0.0 50.0 2

assign (resid 84 and name ca) (resid 84 and name cb)
       (resid 84 and name cg) (resid 84 and name cd) 1.0 180.0 30.0 2



assign (resid 5 and name n) (resid 5 and name ca)
       (resid 5 and name cb) (resid 5 and name og) 1.0 60.0 20.0 2

assign (resid 67 and name n) (resid 67 and name ca)
       (resid 67 and name cb) (resid 67 and name og) 1.0 60.0 20.0 2


C. HNHA J coupling restraints


!
! L1
! K3
assign (resid   2 and name c ) (resid   3 and name n )
       (resid   3 and name ca) (resid   3 and name c )      6.9 0.5
! F4
assign (resid   3 and name c ) (resid   4 and name n )
       (resid   4 and name ca) (resid   4 and name c )      2.4 0.5
! S5
! Q6
assign (resid   5 and name c ) (resid   6 and name n )
       (resid   6 and name ca) (resid   6 and name c )      6.1 0.5
! T7
assign (resid   6 and name c ) (resid   7 and name n )
       (resid   7 and name ca) (resid   7 and name c )      9.7 0.5
! C8
assign (resid   7 and name c ) (resid   8 and name n )
       (resid   8 and name ca) (resid   8 and name c )      9.6 0.5
! Y9
assign (resid   8 and name c ) (resid   9 and name n )
       (resid   9 and name ca) (resid   9 and name c )      8.0 0.5
! N10
assign (resid   9 and name c ) (resid  10 and name n )
       (resid  10 and name ca) (resid  10 and name c )      7.5 0.5
! S11
assign (resid  10 and name c ) (resid  11 and name n )
       (resid  11 and name ca) (resid  11 and name c )      5.4 0.5
! A12
assign (resid  11 and name c ) (resid  12 and name n )
       (resid  12 and name ca) (resid  12 and name c )      8.0 0.5
! I13
assign (resid  12 and name c ) (resid  13 and name n )
       (resid  13 and name ca) (resid  13 and name c )      9.3 0.5
! Q14
assign (resid  13 and name c ) (resid  14 and name n )
       (resid  14 and name ca) (resid  14 and name c )      8.6 0.5
! S16
assign (resid  15 and name c ) (resid  16 and name n )
       (resid  16 and name ca) (resid  16 and name c )      9.1 0.5
! V17
assign (resid  16 and name c ) (resid  17 and name n )
       (resid  17 and name ca) (resid  17 and name c )      8.0 0.5
! L18
assign (resid  17 and name c ) (resid  18 and name n )
       (resid  18 and name ca) (resid  18 and name c )      8.8 0.5
! T19
assign (resid  18 and name c ) (resid  19 and name n )
       (resid  19 and name ca) (resid  19 and name c )      9.4 0.5
! S20
assign (resid  19 and name c ) (resid  20 and name n )
       (resid  20 and name ca) (resid  20 and name c )      6.5 0.5
! T21
assign (resid  20 and name c ) (resid  21 and name n )
       (resid  21 and name ca) (resid  21 and name c )      9.1 0.5
! C22
assign (resid  21 and name c ) (resid  22 and name n )
       (resid  22 and name ca) (resid  22 and name c )      9.2 0.5
! E23
! R24
assign (resid  23 and name c ) (resid  24 and name n )
       (resid  24 and name ca) (resid  24 and name c )      7.7 0.5
! T25
! N26
! Y29
assign (resid  28 and name c ) (resid  29 and name n )
       (resid  29 and name ca) (resid  29 and name c )      9.3 0.5
! N30
assign (resid  29 and name c ) (resid  30 and name n )
       (resid  30 and name ca) (resid  30 and name c )      9.1 0.5
! T31
! S32
assign (resid  31 and name c ) (resid  32 and name n )
       (resid  32 and name ca) (resid  32 and name c )      8.1 0.5
! S33
assign (resid  32 and name c ) (resid  33 and name n )
       (resid  33 and name ca) (resid  33 and name c )      9.4 0.5
! I34
assign (resid  33 and name c ) (resid  34 and name n )
       (resid  34 and name ca) (resid  34 and name c )      8.2 0.5
! D35
! L36
assign (resid  35 and name c ) (resid  36 and name n )
       (resid  36 and name ca) (resid  36 and name c )      6.3 0.5
! N37
assign (resid  36 and name c ) (resid  37 and name n )
       (resid  37 and name ca) (resid  37 and name c )      3.9 0.5
! S38
assign (resid  37 and name c ) (resid  38 and name n )
       (resid  38 and name ca) (resid  38 and name c )      5.4 0.5
! V39
assign (resid  38 and name c ) (resid  39 and name n )
       (resid  39 and name ca) (resid  39 and name c )     10.1 0.5
! I40
assign (resid  39 and name c ) (resid  40 and name n )
       (resid  40 and name ca) (resid  40 and name c )      9.2 0.5
! E41
assign (resid  40 and name c ) (resid  41 and name n )
       (resid  41 and name ca) (resid  41 and name c )      9.7 0.5
! N42
assign (resid  41 and name c ) (resid  42 and name n )
       (resid  42 and name ca) (resid  42 and name c )      9.0 0.5
! V43
assign (resid  42 and name c ) (resid  43 and name n )
       (resid  43 and name ca) (resid  43 and name c )      9.5 0.5
! D44
assign (resid  43 and name c ) (resid  44 and name n )
       (resid  44 and name ca) (resid  44 and name c )      6.2 0.5
! S46
assign (resid  45 and name c ) (resid  46 and name n )
       (resid  46 and name ca) (resid  46 and name c )      8.3 0.5
! L47
assign (resid  46 and name c ) (resid  47 and name n )
       (resid  47 and name ca) (resid  47 and name c )      6.2 0.5
! K48
assign (resid  47 and name c ) (resid  48 and name n )
       (resid  48 and name ca) (resid  48 and name c )      9.5 0.5
! W49
assign (resid  48 and name c ) (resid  49 and name n )
       (resid  49 and name ca) (resid  49 and name c )      6.1 0.5
! Q50
assign (resid  49 and name c ) (resid  50 and name n )
       (resid  50 and name ca) (resid  50 and name c )      5.0 0.5
! P51
! S52
! N53
assign (resid  52 and name c ) (resid  53 and name n )
       (resid  53 and name ca) (resid  53 and name c )     7.5 0.5
! F54
assign (resid  53 and name c ) (resid  54 and name n )
       (resid  54 and name ca) (resid  54 and name c )      2.7 0.5
! I55
! E56
assign (resid  55 and name c ) (resid  56 and name n )
       (resid  56 and name ca) (resid  56 and name c )      5.0 0.5
! T57
assign (resid  56 and name c ) (resid  57 and name n )
       (resid  57 and name ca) (resid  57 and name c )     10.1 0.5
! C58
assign (resid  57 and name c ) (resid  58 and name n )
       (resid  58 and name ca) (resid  58 and name c )      9.4 0.5
! R59
assign (resid  58 and name c ) (resid  59 and name n )
       (resid  59 and name ca) (resid  59 and name c )      8.6 0.5
! N60
assign (resid  59 and name c ) (resid  60 and name n )
       (resid  60 and name ca) (resid  60 and name c )      7.2 0.5
! T61
assign (resid  60 and name c ) (resid  61 and name n )
       (resid  61 and name ca) (resid  61 and name c )      6.0 0.5
! Q62
assign (resid  61 and name c ) (resid  62 and name n )
       (resid  62 and name ca) (resid  62 and name c )      8.0 0.5
! L63
assign (resid  62 and name c ) (resid  63 and name n )
       (resid  63 and name ca) (resid  63 and name c )      7.4 0.5
! A64
assign (resid  63 and name c ) (resid  64 and name n )
       (resid  64 and name ca) (resid  64 and name c )      9.5 0.5
! S66
assign (resid  65 and name c ) (resid  66 and name n )
       (resid  66 and name ca) (resid  66 and name c )      8.2 0.5
! S67
assign (resid  66 and name c ) (resid  67 and name n )
       (resid  67 and name ca) (resid  67 and name c )      9.9 0.5
! E68
assign (resid  67 and name c ) (resid  68 and name n )
       (resid  68 and name ca) (resid  68 and name c )      8.6 0.5
! L69
! A70
assign (resid  69 and name c ) (resid  70 and name n )
       (resid  70 and name ca) (resid  70 and name c )      9.5 0.5
! A71
assign (resid  70 and name c ) (resid  71 and name n )
       (resid  71 and name ca) (resid  71 and name c )      7.2 0.5
! E72
assign (resid  71 and name c ) (resid  72 and name n )
       (resid  72 and name ca) (resid  72 and name c )      9.6 0.5
! C73
assign (resid  72 and name c ) (resid  73 and name n )
       (resid  73 and name ca) (resid  73 and name c )      9.2 0.5
! K74
assign (resid  73 and name c ) (resid  74 and name n )
       (resid  74 and name ca) (resid  74 and name c )      5.1 0.5
! T75
assign (resid  74 and name c ) (resid  75 and name n )
       (resid  75 and name ca) (resid  75 and name c )      7.5 0.5
! R76
assign (resid  75 and name c ) (resid  76 and name n )
       (resid  76 and name ca) (resid  76 and name c )      4.5 0.5
! A77
assign (resid  76 and name c ) (resid  77 and name n )
       (resid  77 and name ca) (resid  77 and name c )      8.2 0.5
! Q78
assign (resid  77 and name c ) (resid  78 and name n )
       (resid  78 and name ca) (resid  78 and name c )      7.4 0.5
! Q79
assign (resid  78 and name c ) (resid  79 and name n )
       (resid  79 and name ca) (resid  79 and name c )      9.3 0.5
! F80
! V81
assign (resid  80 and name c ) (resid  81 and name n )
       (resid  81 and name ca) (resid  81 and name c )      9.8 0.5
! S82
assign (resid  81 and name c ) (resid  82 and name n )
       (resid  82 and name ca) (resid  82 and name c )      5.8 0.5
! T83
! K84
assign (resid  83 and name c ) (resid  84 and name n )
       (resid  84 and name ca) (resid  84 and name c )      7.6 0.5
! I85
! N86
assign (resid  85 and name c ) (resid  86 and name n )
       (resid  86 and name ca) (resid  86 and name c )      7.1 0.5
! L87
assign (resid  86 and name c ) (resid  87 and name n )
       (resid  87 and name ca) (resid  87 and name c )      5.1 0.5
! D88
assign (resid  87 and name c ) (resid  88 and name n )
       (resid  88 and name ca) (resid  88 and name c )      5.5 0.5
! D89
assign (resid  88 and name c ) (resid  89 and name n )
       (resid  89 and name ca) (resid  89 and name c )      3.7 0.5
! H90
assign (resid  89 and name c ) (resid  90 and name n )
       (resid  90 and name ca) (resid  90 and name c )      9.8 0.5
! I91
assign (resid  90 and name c ) (resid  91 and name n )
       (resid  91 and name ca) (resid  91 and name c )      8.1 0.5
! A92
assign (resid  91 and name c ) (resid  92 and name n )
       (resid  92 and name ca) (resid  92 and name c )      9.3 0.5
! N93
assign (resid  92 and name c ) (resid  93 and name n )
       (resid  93 and name ca) (resid  93 and name c )      9.6 0.5
! I94
assign (resid  93 and name c ) (resid  94 and name n )
       (resid  94 and name ca) (resid  94 and name c )     10.0 0.5
! D95
assign (resid  94 and name c ) (resid  95 and name n )
       (resid  95 and name ca) (resid  95 and name c )      6.4 0.5
! T97
assign (resid  96 and name c ) (resid  97 and name n )
       (resid  97 and name ca) (resid  97 and name c )      9.3 0.5
! L98
! K99
! Y100
assign (resid  99 and name c ) (resid 100 and name n )
       (resid 100 and name ca) (resid 100 and name c )      7.2 0.5
! E101
assign (resid 100 and name c ) (resid 101 and name n )
       (resid 101 and name ca) (resid 101 and name c )      8.3 0.5



! G28
assign (resid 28 and name ha1) (resid 28 and name ca)
       (resid 28 and name n ) (resid 28 and name hn)
       (resid 28 and name ha2) (resid 28 and name ca)
       (resid 28 and name n ) (resid 28 and name hn)
   5.8 0.5
   7.0 0.5
! G45
assign (resid 45 and name ha1) (resid 45 and name ca)
       (resid 45 and name n ) (resid 45 and name hn)
       (resid 45 and name ha2) (resid 45 and name ca)
       (resid 45 and name n ) (resid 45 and name hn)
   5.3 0.5
   8.3 0.5


D. 1H CHEMICAL SHIFT RESTRAINTS


OBSE (resid 1 and name HA) 3.8652
OBSE (resid 6 and (name HA)) 4.077 
OBSE (resid 7 and (name HA)) 4.645 
OBSE (resid 10 and (name HA)) 4.414
OBSE (resid 11 and (name HA)) 5.362
OBSE (resid 12 and (name HA)) 4.480
OBSE (resid 13 and (name HA)) 5.022
OBSE (resid 14 and (name HA)) 4.472
OBSE (resid 16 and (name HA)) 4.460 
OBSE (resid 17 and (name HA)) 4.480
OBSE (resid 18 and (name HA)) 5.083
OBSE (resid 19 and (name HA)) 5.261
OBSE (resid 20 and (name HA)) 4.320 
OBSE (resid 21 and (name HA)) 4.803 
OBSE (resid 23 and (name HA)) 4.980 
OBSE (resid 24 and (name HA)) 3.977
OBSE (resid 25 and (name HA)) 3.809
OBSE (resid 26 and (name HA)) 4.774 
OBSE (resid 29 and (name HA)) 5.276
OBSE (resid 30 and (name HA)) 5.023
OBSE (resid 31 and (name HA)) 5.224
OBSE (resid 32 and (name HA)) 4.832 
OBSE (resid 34 and (name HA)) 4.465
OBSE (resid 35 and (name HA)) 4.763
OBSE (resid 36 and (name HA)) 4.154
OBSE (resid 37 and (name HA)) 4.887
OBSE (resid 38 and (name HA)) 4.323
OBSE (resid 39 and (name HA)) 4.164 
OBSE (resid 40 and (name HA)) 4.828
OBSE (resid 41 and (name HA)) 4.263 
OBSE (resid 42 and (name HA)) 4.672
OBSE (resid 43 and (name HA)) 3.968 
OBSE (resid 44 and (name HA)) 4.106 
OBSE (resid 46 and (name HA)) 4.769
OBSE (resid 47 and (name HA)) 4.586
OBSE (resid 48 and (name HA)) 4.485 
OBSE (resid 49 and (name HA)) 5.014
OBSE (resid 50 and (name HA)) 4.578 
OBSE (resid 51 and (name HA)) 4.010 
OBSE (resid 52 and (name HA)) 4.240 
OBSE (resid 53 and (name HA)) 4.975 
OBSE (resid 55 and (name HA)) 3.278
OBSE (resid 56 and (name HA)) 4.021 
OBSE (resid 57 and (name HA)) 4.570 
OBSE (resid 59 and (name HA)) 4.780
OBSE (resid 60 and (name HA)) 4.363 
OBSE (resid 61 and (name HA)) 4.957 
OBSE (resid 62 and (name HA)) 4.575 
OBSE (resid 63 and (name HA)) 4.970 
OBSE (resid 64 and (name HA)) 4.637 
OBSE (resid 66 and (name HA)) 4.426
OBSE (resid 67 and (name HA)) 4.743 
OBSE (resid 68 and (name HA)) 5.014
OBSE (resid 69 and (name HA)) 4.735
OBSE (resid 70 and (name HA)) 5.191
OBSE (resid 71 and (name HA)) 4.590
OBSE (resid 72 and (name HA)) 5.292 
OBSE (resid 74 and (name HA)) 3.994
OBSE (resid 75 and (name HA)) 4.031
OBSE (resid 76 and (name HA)) 3.993
OBSE (resid 77 and (name HA)) 4.380
OBSE (resid 78 and (name HA)) 3.402
OBSE (resid 79 and (name HA)) 4.492
OBSE (resid 80 and (name HA)) 4.610
OBSE (resid 81 and (name HA)) 4.679
OBSE (resid 82 and (name HA)) 4.876
OBSE (resid 83 and (name HA)) 4.690
OBSE (resid 85 and (name HA)) 4.320
OBSE (resid 86 and (name HA)) 4.784
OBSE (resid 87 and (name HA)) 4.630 
OBSE (resid 88 and (name HA)) 5.098 
OBSE (resid 89 and (name HA)) 3.993
OBSE (resid 90 and (name HA)) 4.214
OBSE (resid 91 and (name HA#)) 4.658
OBSE (resid 92 and (name HA)) 4.345
OBSE (resid 93 and (name HA)) 4.574 
OBSE (resid 94 and (name HA)) 4.230
OBSE (resid 95 and (name HA)) 4.247 
OBSE (resid 97 and (name HA)) 4.367 
OBSE (resid 98 and (name HA)) 4.782
OBSE (resid 99 and (name HA)) 4.497
OBSE (resid 100 and (name HA)) 4.759
OBSE (resid 101 and (name HA)) 4.030


OBSE (resid 27 and name ha1) (resid 27 and name ha2) 3.600 4.368
OBSE (resid 28 and name ha1) (resid 28 and name ha2) 3.748 4.108
OBSE (resid 65 and name ha1) (resid 65 and name ha2) 3.672 3.983
OBSE (resid 96 and name ha1) (resid 96 and name ha2) 3.146 3.915



OBSE (resid 7 and name hg2#) 1.1099
OBSE (resid 12 and name hb#) 1.280
OBSE (resid 13 and name hg2#) 0.560
OBSE (resid 13 and name hd1#) 0.670
OBSE (resid 19 and name hg2#) 1.0549
OBSE (resid 21 and name hg2#) 0.8618
OBSE (resid 25 and name hg2#) 1.1234
OBSE (resid 31 and name hg2#) 1.0404
OBSE (resid 34 and name hg2#) 0.790
OBSE (resid 34 and name hd1#) 0.820
OBSE (resid 40 and name hg2#) -0.080
OBSE (resid 40 and name hd1#) -0.080
OBSE (resid 55 and name hg2#) 0.570
OBSE (resid 55 and name hd1#) 0.380
OBSE (resid 57 and name hg2#) 1.130
OBSE (resid 61 and name hg2#) 1.010
OBSE (resid 64 and name hb#) 1.207
OBSE (resid 70 and name hb#) 1.2576
OBSE (resid 71 and name hb#) 1.1725
OBSE (resid 75 and name hg2#) 1.170
OBSE (resid 77 and name hb#) 1.2554
OBSE (resid 83 and name hg2#) 0.8252
OBSE (resid 85 and name hg2#) 0.350
OBSE (resid 85 and name hd1#) -0.720
OBSE (resid 91 and name hg2#) 0.270
OBSE (resid 91 and name hd1#) 0.820
OBSE (resid 92 and name hb#) 1.115
OBSE (resid 94 and name hg2#) 0.740
OBSE (resid 94 and name hd1#) 0.620
OBSE (resid 97 and name hg2#) 1.120

OBSE (resid 1 and name hd1#) 0.68
OBSE (resid 1 and name hd2#) 0.74
OBSE (resid 17 and name hg1#) 0.72
OBSE (resid 17 and name hg2#) 0.84
OBSE (resid 18 and name hd1#) 0.76
OBSE (resid 18 and name hd2#) 0.27
OBSE (resid 39 and name hg1#) 0.07
OBSE (resid 39 and name hg2#) 0.85
OBSE (resid 43 and name hg1#) 0.75
OBSE (resid 43 and name hg2#) 0.62
OBSE (resid 47 and name hd1#) 0.19
OBSE (resid 47 and name hd2#) 0.30
OBSE (resid 63 and name hd1#) 0.60
OBSE (resid 63 and name hd2#) 0.67
OBSE (resid 69 and name hd1#) 0.79
OBSE (resid 69 and name hd2#) 0.34
OBSE (resid 98 and name hd1#) 0.64
OBSE (resid 98 and name hd2#) 0.45




OBSE (resid 36 and name HD1#) (resid 36 and name HD2#) 0.82 0.87
OBSE (resid 81 and name HG1#) (resid 81 and name HG2#) 0.85 0.85
OBSE (resid 87 and name HD1#) (resid 87 and name HD2#) 0.83 0.85


OBSE (resid 1 and name hg) 1.420
OBSE (resid 7 and name hb) 4.6045
OBSE (resid 13 and name hb) 1.420
OBSE (resid 17 and name hb) 2.137
OBSE (resid 18 and name hg) 1.120
OBSE (resid 19 and name hb) 3.656
OBSE (resid 21 and name hb) 3.320
OBSE (resid 25 and name hb) 3.860
OBSE (resid 31 and name HB) 3.8379
OBSE (resid 34 and name hb) 1.510
OBSE (resid 36 and name hg) 2.000
OBSE (resid 39 and name hb) 2.1206
OBSE (resid 40 and name hb) 1.140
OBSE (resid 43 and name hb) 1.8051
OBSE (resid 47 and name hg) 1.540
OBSE (resid 55 and name hb) 0.460
OBSE (resid 57 and name hb) 4.470
OBSE (resid 61 and name hb) 4.0684
OBSE (resid 63 and name hg) 1.410
OBSE (resid 69 and name hg) 1.190
OBSE (resid 75 and name hb) 4.6365
OBSE (resid 81 and name hb) 2.1292
OBSE (resid 83 and name hb) 4.3109
OBSE (resid 85 and name hb) 1.210
OBSE (resid 87 and name hg) 1.990
OBSE (resid 91 and name hb) 2.160
OBSE (resid 94 and name hb) 1.880
OBSE (resid 97 and name hb) 3.8415
OBSE (resid 98 and name hg) 0.70


OBSE (resid 1 and name hb1) (resid 1 and name hb2) 1.390 1.390
OBSE (resid 3 and name hb1) (resid 3 and name hb2) 1.87 1.90
OBSE (resid 3 and name hg1) (resid 3 and name hg2) 1.22 1.47
OBSE (resid 3 and name hd1) (resid 3 and name hd2) 1.50 1.61
OBSE (resid 4 and name hb1) (resid 4 and name hb2) 2.717 2.910
OBSE (resid 5 and name hb1) (resid 5 and name hb2) 2.867 3.29
OBSE (resid 6 and name hb1) (resid 6 and name hb2) 2.06 2.19
OBSE (resid 6 and name hg1) (resid 6 and name hg2) 2.36 2.36
OBSE (resid 9 and name hb1) (resid 9 and name hb2) 2.92 2.99
OBSE (resid 10 and name hb1) (resid 10 and name hb2) 2.98 2.51
OBSE (resid 11 and name hb1) (resid 11 and name hb2) 3.71 3.608
OBSE (resid 13 and name hg11) (resid 13 and name hg12) 1.256 1.046
OBSE (resid 18 and name hb1) (resid 18 and name hb2) 1.800 1.800
OBSE (resid 20 and name hb1) (resid 20 and name hb2) 3.44 3.58
OBSE (resid 23 and name hb1) (resid 23 and name hb2) 1.77 2.29
OBSE (resid 24 and name hb1) (resid 24 and name hb2) 1.45 1.88
OBSE (resid 24 and name hg1) (resid 24 and name hg2) 1.18 1.34
OBSE (resid 24 and name hd1) (resid 24 and name hd2) 2.9879 2.9879 
OBSE (resid 26 and name hb1) (resid 26 and name hb2) 2.699 2.847
OBSE (resid 29 and name hb1) (resid 29 and name hb2) 2.65 2.65
OBSE (resid 30 and name hb1) (resid 30 and name hb2) 2.33 3.105
OBSE (resid 32 and name hb1) (resid 32 and name hb2) 3.70 4.14
OBSE (resid 33 and name hb1) (resid 33 and name hb2) 3.37 3.62
OBSE (resid 35 and name hb1) (resid 35 and name hb2) 2.39 2.96
OBSE (resid 36 and name hb1) (resid 36 and name hb2) 1.68 1.68
OBSE (resid 37 and name hb1) (resid 37 and name hb2) 2.65 2.65
OBSE (resid 38 and name hb1) (resid 38 and name hb2) 3.86 3.86
OBSE (resid 41 and name hb1) (resid 41 and name hb2) 1.44 1.81
OBSE (resid 41 and name hg1) (resid 41 and name hg2) 2.27 1.93
OBSE (resid 42 and name hb1) (resid 42 and name hb2) 2.71 2.46
OBSE (resid 44 and name hb1) (resid 44 and name hb2) 2.08 3.04
OBSE (resid 46 and name hb1) (resid 46 and name hb2) 3.57 3.57
OBSE (resid 47 and name hb1) (resid 47 and name hb2) 0.51 1.10
OBSE (resid 48 and name hb1) (resid 48 and name hb2) 1.45 1.65
OBSE (resid 48 and name hg1) (resid 48 and name hg2) 1.33 1.33
OBSE (resid 48 and name hd1) (resid 48 and name hd2) 1.64 1.64
OBSE (resid 48 and name he1) (resid 48 and name he2) 2.90 2.90
OBSE (resid 49 and name hb1) (resid 49 and name hb2) 3.0 3.13
OBSE (resid 50 and name hb1) (resid 50 and name hb2) 1.81 2.38
OBSE (resid 51 and name hb1) (resid 51 and name hb2) 1.79 2.26
OBSE (resid 51 and name hg1) (resid 51 and name hg2) 1.94 2.04
OBSE (resid 51 and name hd1) (resid 51 and name hd2) 3.46 3.67
OBSE (resid 52 and name hb1) (resid 52 and name hb2) 3.78 3.78
OBSE (resid 53 and name hb1) (resid 53 and name hb2) 2.48 3.25
OBSE (resid 54 and name hb1) (resid 54 and name hb2) 2.77 2.57
OBSE (resid 55 and name hg11) (resid 55 and name hg12) 1.271 1.018
OBSE (resid 56 and name hb1) (resid 56 and name hb2) 2.06 2.06
OBSE (resid 56 and name hg1) (resid 56 and name hg2) 2.24 2.36
OBSE (resid 59 and name hb1) (resid 59 and name hb2) 1.62 1.74
OBSE (resid 59 and name hg1) (resid 59 and name hg2) 1.09 1.46
OBSE (resid 59 and name hd1) (resid 59 and name hd2) 2.17 2.51
OBSE (resid 60 and name hb1) (resid 60 and name hb2) 2.57 2.88
OBSE (resid 62 and name hb1) (resid 62 and name hb2) 1.90 2.13
OBSE (resid 63 and name hb1) (resid 63 and name hb2) 1.12 1.79
OBSE (resid 66 and name hb1) (resid 66 and name hb2) 3.77 3.77
OBSE (resid 67 and name hb1) (resid 67 and name hb2) 3.30 4.08
OBSE (resid 68 and name hb1) (resid 68 and name hb2) 1.77 2.29
OBSE (resid 68 and name hg1) (resid 68 and name hg2) 1.85 2.23
OBSE (resid 69 and name hb1) (resid 69 and name hb2) 1.08 1.63
OBSE (resid 72 and name hb1) (resid 72 and name hb2) 1.70 1.86
OBSE (resid 72 and name hg1) (resid 72 and name hg2) 2.07 2.24
OBSE (resid 74 and name hb1) (resid 74 and name hb2) 1.12 1.29
OBSE (resid 74 and name hg1) (resid 74 and name hg2) 0.44 0.62
OBSE (resid 74 and name hd1) (resid 74 and name hd2) 1.27 1.27
OBSE (resid 74 and name he1) (resid 74 and name he2) 2.60 0.64
OBSE (resid 76 and name hb1) (resid 76 and name hb2) 1.73 1.81
OBSE (resid 76 and name hg1) (resid 76 and name hg2) 1.64 1.64
OBSE (resid 76 and name hd1) (resid 76 and name hd2) 3.10 3.10
OBSE (resid 78 and name hb1) (resid 78 and name hb2) 2.16 2.38
OBSE (resid 78 and name hg1) (resid 78 and name hg2) 2.02 2.24
OBSE (resid 79 and name hb1) (resid 79 and name hb2) 1.67 2.00
OBSE (resid 79 and name hg1) (resid 79 and name hg2) 2.16 2.16
OBSE (resid 80 and name hb1) (resid 80 and name hb2) 2.48 2.80
OBSE (resid 82 and name hb1) (resid 82 and name hb2) 3.85 3.85
OBSE (resid 84 and name hb1) (resid 84 and name hb2) 1.55 1.76
OBSE (resid 84 and name hg1) (resid 84 and name hg2) 1.27 1.27
OBSE (resid 84 and name hd1) (resid 84 and name hd2) 1.48 1.48
OBSE (resid 84 and name he1) (resid 84 and name he2) 2.79 2.79
OBSE (resid 85 and name hg11) (resid 85 and name hg12) 1.42 0.482
OBSE (resid 86 and name hb1) (resid 86 and name hb2) 2.77 3.52
OBSE (resid 87 and name hb1) (resid 87 and name hb2) 1.52 2.50
OBSE (resid 88 and name hb1) (resid 88 and name hb2) 2.50 2.89
OBSE (resid 89 and name hb1) (resid 89 and name hb2) 2.14 2.74
OBSE (resid 90 and name hb1) (resid 90 and name hb2) 2.44 0.469
OBSE (resid 91 and name hg11) (resid 91 and name hg12) 2.250 1.069
OBSE (resid 93 and name hb1) (resid 93 and name hb2) 2.67 2.67
OBSE (resid 94 and name hg11) (resid 94 and name hg12) 1.20 1.20
OBSE (resid 95 and name hb1) (resid 95 and name hb2) 2.28 2.91
OBSE (resid 98 and name hb1) (resid 98 and name hb2) 1.55 1.315
ObsE (resid 99 and name hb1) (resid 99 and name hb2) 1.46 1.67
OBSE (resid 99 and name hg1) (resid 99 and name hg2) 1.35 1.35
OBSE (resid 99 and name hd1) (resid 99 and name hd2) 1.49 1.49
OBSE (resid 99 and name he1) (resid 99 and name he2) 2.89 2.89
OBSE (resid 100 and name hb1) (resid 100 and name hb2) 2.79 2.56

E. 13Calpha and 13Cbeta chemical shift restraints



  !!    L1
  !!    G2
 assign (resid  1  and name c ) (resid  2  and name n ) 
        (resid  2  and name ca) (resid  2  and name c )
	(resid  3  and name n )  			  46.01 $noexpectation 
  !!    Q6
 assign (resid  5  and name c ) (resid  6  and name n ) 
        (resid  6  and name ca) (resid  6  and name c )
	(resid  7  and name n )          		  57.81 29.28 
  !!    T7
 assign (resid  6  and name c ) (resid  7  and name n ) 
        (resid  7  and name ca) (resid  7  and name c )
	(resid  8  and name n )   			  60.70 69.29 
  !!    C8
 assign (resid  7  and name c ) (resid  8  and name n )
        (resid  8  and name ca) (resid  8  and name c )
        (resid  9  and name n )   			  56.57 49.96
  !!    Y9
 assign (resid  8  and name c ) (resid  9  and name n ) 
        (resid  9  and name ca) (resid  9  and name c ) 
	(resid  10  and name n )  		          56.53 40.37 
  !!    N10
 assign (resid  9  and name c ) (resid  10  and name n )
        (resid 10  and name ca) (resid  10  and name c )
	(resid 11 and name n )   			  53.56 36.29
  !!    S11
 assign (resid 10 and name c ) (resid 11 and name n ) 
        (resid 11 and name ca) (resid 11 and name c ) 
	(resid 12 and name n )    			  58.60 64.03 
  !!    A12
 assign (resid 11 and name c ) (resid 12 and name n ) 
        (resid 12 and name ca) (resid 12 and name c )   
	(resid 13 and name n )  		          52.26 22.90 
  !!    I13
 assign (resid 12 and name c ) (resid 13 and name n ) 
        (resid 13 and name ca) (resid 13 and name c )
	(resid 14 and name n )     			  57.86 40.70 
  !!    Q14
 assign (resid 13 and name c ) (resid 14 and name n ) 
        (resid 14 and name ca) (resid 14 and name c )
	(resid 15 and name n )     			  54.90 30.67 
  !!    G15
 assign (resid 14 and name c ) (resid 15 and name n ) 
        (resid 15 and name ca) (resid 15 and name c )
	(resid 16 and name n )     			  46.90 $noexpectation 
  !!    S16
 assign (resid 15 and name c ) (resid 16 and name n ) 
        (resid 16 and name ca) (resid 16 and name c ) 
	(resid 17 and name n )    			  57.82 64.17 
  !!    V17
 assign (resid 16 and name c ) (resid 17 and name n ) 
        (resid 17 and name ca) (resid 17 and name c ) 
	(resid 18 and name n )    			  63.22 33.08 
  !!    L18
 assign (resid 17 and name c ) (resid 18 and name n ) 
        (resid 18 and name ca) (resid 18 and name c )
	(resid 19 and name n )     			  53.61 43.00 
  !!    T19
assign  (resid 18 and name c ) (resid 19 and name n )
        (resid 19 and name ca) (resid 19 and name c )
        (resid 20 and name n )     			  61.31 71.84
  !!    T21
 assign (resid 20 and name c ) (resid 21 and name n ) 
        (resid 21 and name ca) (resid 21 and name c )
	(resid 22 and name n )     			  62.84 69.74
  !!    C22
 assign (resid 21 and name c ) (resid 22 and name n ) 
        (resid 22 and name ca) (resid 22 and name c )
	(resid 23 and name n )     		          56.13 46.09 
  !!    E23
 assign (resid 22 and name c ) (resid 23 and name n )
        (resid 23 and name ca) (resid 23 and name c )
	(resid 24 and name n ) 		          	  57.01 31.51
  !!    R24
 assign (resid 23 and name c ) (resid 24 and name n )
        (resid 24 and name ca) (resid 24 and name c )
	(resid 25 and name n )   			  56.17   30.48
  !!    T25
 assign (resid 24 and name c ) (resid 25 and name n )
        (resid 25 and name ca) (resid 25 and name c )
	(resid 26 and name n )   			  66.50   68.91
  !!    N26
 assign (resid 25 and name c ) (resid 26 and name n ) 
        (resid 26 and name ca) (resid 26 and name c ) 
	(resid 27 and name n )    			  52.87   38.10
  !!    G27
 assign (resid 26 and name c ) (resid 27 and name n )
        (resid 27 and name ca) (resid 27 and name c )
	(resid 28 and name n )     			  44.65 $noexpectation 
  !!    G28
 assign (resid 27 and name c ) (resid 28 and name n ) 
        (resid 28 and name ca) (resid 28 and name c )
	(resid 29 and name n )    			  44.60 $noexpectation 
  !!    Y29
 assign (resid 28 and name c ) (resid 29 and name n ) 
        (resid 29 and name ca) (resid 29 and name c ) 
	(resid 30 and name n )    			  57.57   43.06 
  !!    S33
 assign (resid 32 and name c ) (resid 33 and name n )
        (resid 33 and name ca) (resid 33 and name c )
        (resid 34 and name n )    			  56.90   67.26
  !!    I34
 assign (resid 33 and name c ) (resid 34 and name n )
        (resid 34 and name ca) (resid 34 and name c )
        (resid 35 and name n )    			  59.87   41.98
  !!    D35
 assign (resid 34 and name c ) (resid 35 and name n )
        (resid 35 and name ca) (resid 35 and name c )
        (resid 36 and name n )    			  53.61   40.44
  !!    L36
 assign (resid 35 and name c ) (resid 36 and name n )
        (resid 36 and name ca) (resid 36 and name c )
        (resid 37 and name n )    			  55.27   41.99
  !!    N37
 assign (resid 36 and name c ) (resid 37 and name n ) 
        (resid 37 and name ca) (resid 37 and name c )   
 	(resid 38 and name n )  			  56.30   39.54 
  !!    S38
 assign (resid 37 and name c ) (resid 38 and name n ) 
        (resid 38 and name ca) (resid 38 and name c ) 
	(resid 39 and name n )    			  60.23   63.63
  !!    V39
 assign (resid 38 and name c ) (resid 39 and name n )
        (resid 39 and name ca) (resid 39 and name c )
        (resid 40 and name n )    			  60.68   33.92
  !!    I40
 assign (resid 39 and name c ) (resid 40 and name n )
        (resid 40 and name ca) (resid 40 and name c )
        (resid 41 and name n )    			  60.91   40.80
  !!    E41
 assign (resid 40 and name c ) (resid 41 and name n ) 
        (resid 41 and name ca) (resid 41 and name c )  
	(resid 42 and name n )   			  53.90   33.26 
  !!    N42
 assign (resid 41 and name c ) (resid 42 and name n ) 
        (resid 42 and name ca) (resid 42 and name c ) 
	(resid 43 and name n )    			  51.83   38.79 
  !!    D44
 assign (resid 43 and name c ) (resid 44 and name n ) 
        (resid 44 and name ca) (resid 44 and name c ) 
	(resid 45 and name n )    			  55.18   40.65 
  !!    G45
 assign (resid 44 and name c ) (resid 45 and name n ) 
        (resid 45 and name ca) (resid 45 and name c )
	(resid 46 and name n )     			  45.66 $noexpectation 
  !!    S46
 assign (resid 45 and name c ) (resid 46 and name n ) 
        (resid 46 and name ca) (resid 46 and name c )
	(resid 47 and name n )     			  56.10   65.20 
  !!    L47
 assign (resid 46 and name c ) (resid 47 and name n ) 
        (resid 47 and name ca) (resid 47 and name c )
	(resid 48 and name n )     			  54.50   42.16 
  !!    K48
 assign (resid 47 and name c ) (resid 48 and name n ) 
        (resid 48 and name ca) (resid 48 and name c )
	(resid 49 and name n )     			  53.82   37.05 
  !!    F54
 assign (resid 53 and name c ) (resid 54 and name n )
        (resid 54 and name ca) (resid 54 and name c )
	(resid 55 and name n )     			  60.36   37.46
  !!    E56
 assign (resid 55 and name c ) (resid 56 and name n ) 
        (resid 56 and name ca) (resid 56 and name c )
	(resid 57 and name n )     			  58.54   30.39 
  !!    T57
 assign (resid 56 and name c ) (resid 57 and name n ) 
        (resid 57 and name ca) (resid 57 and name c )
	(resid 58 and name n )     			  60.22   68.83 
  !!    C58
 assign (resid 57 and name c ) (resid 58 and name n )
        (resid 58 and name ca) (resid 58 and name c )
	(resid 59 and name n )     			  56.60   49.95
  !!    R59
 assign (resid 58 and name c ) (resid 59 and name n ) 
        (resid 59 and name ca) (resid 59 and name c )
	(resid 60 and name n )     			  53.95   33.60 
  !!    N60
 assign (resid 59 and name c ) (resid 60 and name n ) 
        (resid 60 and name ca) (resid 60 and name c )
	(resid 61 and name n )     			  53.70   36.64 
  !!    T61
 assign (resid 60 and name c ) (resid 61 and name n ) 
        (resid 61 and name ca) (resid 61 and name c )
	(resid 62 and name n )     			  60.97   69.01
  !!    L63
 assign (resid 62 and name c ) (resid 63 and name n ) 
        (resid 63 and name ca) (resid 63 and name c )
	(resid 64 and name n )     			  54.22   42.87 
  !!    A64
 assign (resid 63 and name c ) (resid 64 and name n ) 
        (resid 64 and name ca) (resid 64 and name c )
	(resid 65 and name n )     			  50.72   20.33 
  !!    G65
 assign (resid 64 and name c ) (resid 65 and name n ) 
        (resid 65 and name ca) (resid 65 and name c ) 
	(resid 66 and name n )    			  46.23 $noexpectation 
  !!    s66
 assign (resid 65 and name c ) (resid 66 and name n ) 
        (resid 66 and name ca) (resid 66 and name c )
	(resid 67 and name n )     			  59.60   64.37 
  !!    E68
 assign (resid 67 and name c ) (resid 68 and name n )
        (resid 68 and name ca) (resid 68 and name c )
        (resid 69 and name n )     			  56.24   31.64 
  !!    L69
 assign (resid 68 and name c ) (resid 69 and name n ) 
        (resid 69 and name ca) (resid 69 and name c ) 
	(resid 70 and name n )    			  54.30   43.41 
  !!    A70
 assign (resid 69 and name c ) (resid 70 and name n ) 
        (resid 70 and name ca) (resid 70 and name c )
	(resid 71 and name n )     			  49.92   22.30 
  !!    A71
 assign (resid 70 and name c ) (resid 71 and name n ) 
        (resid 71 and name ca) (resid 71 and name c ) 
	(resid 72 and name n )    			  50.95   24.47
  !!    E72
 assign (resid 71 and name c ) (resid 72 and name n ) 
        (resid 72 and name ca) (resid 72 and name c ) 
	(resid 73 and name n )    			  54.69   31.95 
  !!    C73
 assign (resid 72 and name c ) (resid 73 and name n ) 
        (resid 73 and name ca) (resid 73 and name c )
	(resid 74 and name n )    			  55.92   45.65 
  !!    K74
 assign (resid 73 and name c ) (resid 74 and name n )
        (resid 74 and name ca) (resid 74 and name c )
	(resid 75 and name n )     			  56.72   34.08
  !!    T75
 assign (resid 74 and name c ) (resid 75 and name n )
        (resid 75 and name ca) (resid 75 and name c )
        (resid 76 and name n )                            60.23   71.68
  !!    R76
 assign (resid 75 and name c ) (resid 76 and name n )
        (resid 76 and name ca) (resid 76 and name c ) 
	(resid 77 and name n )  			  59.50   29.35
  !!    A77
 assign (resid 76 and name c ) (resid 77 and name n )
        (resid 77 and name ca) (resid 77 and name c )
	(resid 78 and name n )     			  51.88   18.00
  !!    Q78
 assign (resid 77 and name c ) (resid 78 and name n )
        (resid 78 and name ca) (resid 78 and name c )
	(resid 79 and name n )     			  56.71   24.80
  !!    Q79
 assign (resid 78 and name c ) (resid 79 and name n ) 
        (resid 79 and name ca) (resid 79 and name c )
	(resid 80 and name n )     			  53.78   30.50 
  !!    F80
 assign (resid 79 and name c ) (resid 80 and name n ) 
        (resid 80 and name ca) (resid 80 and name c )
	(resid 81 and name n )     			  59.53   41.02 
  !!    V81
 assign (resid 80 and name c ) (resid 81 and name n ) 
        (resid 81 and name ca) (resid 81 and name c ) 
	(resid 82 and name n )    			  59.47   35.65 
  !!    S82
 assign (resid 81 and name c ) (resid 82 and name n ) 
        (resid 82 and name ca) (resid 82 and name c )
	(resid 83 and name n )     			  59.36   63.61 
  !!    T83
 assign (resid 82 and name c ) (resid 83 and name n )
        (resid 83 and name ca) (resid 83 and name c )
        (resid 84 and name n )     			  60.08   69.48
  !!    K84
 assign (resid 83 and name c ) (resid 84 and name n ) 
        (resid 84 and name ca) (resid 84 and name c )
	(resid 85 and name n )     			  54.90   37.15 
  !!    I85
 assign (resid 84 and name c ) (resid 85 and name n ) 
        (resid 85 and name ca) (resid 85 and name c )
	(resid 86 and name n )     			  60.22   42.77
  !!    N86
 assign (resid 85 and name c ) (resid 86 and name n ) 
        (resid 86 and name ca) (resid 86 and name c ) 
	(resid 87 and name n )    			  53.17   37.62 
  !!    L87
 assign (resid 86 and name c ) (resid 87 and name n )
        (resid 87 and name ca) (resid 87 and name c )
        (resid 88 and name n )    			  57.80   42.30
  !!    D88
 assign (resid 87 and name c ) (resid 88 and name n )
        (resid 88 and name ca) (resid 88 and name c )
	(resid 89 and name n )     			  56.36   40.58
  !!    D89
 assign (resid 88 and name c ) (resid 89 and name n )
        (resid 89 and name ca) (resid 89 and name c )
	(resid 90 and name n )     			  57.14   41.59 
  !!    H90
 assign (resid 89 and name c ) (resid 90 and name n ) 
        (resid 90 and name ca) (resid 90 and name c )
	(resid 91 and name n )    			  55.65   33.78 
  !!    I91
 assign (resid 90 and name c ) (resid 91 and name n )
        (resid 91 and name ca) (resid 91 and name c )
        (resid 92 and name n )    			  58.66   33.71
  !!    A92
 assign (resid 91 and name c ) (resid 92 and name n ) 
        (resid 92 and name ca) (resid 92 and name c ) 
	(resid 93 and name n )    			  49.95   23.81 
  !!    N93
 assign (resid 92 and name c ) (resid 93 and name n ) 
        (resid 93 and name ca) (resid 93 and name c ) 
	(resid 94 and name n )    			  51.58   39.30 
  !!    D95
 assign (resid 94 and name c ) (resid 95 and name n ) 
        (resid 95 and name ca) (resid 95 and name c )
	(resid 96 and name n )     			  55.18   40.30 
  !!    G96
 assign (resid 95 and name c ) (resid 96 and name n ) 
        (resid 96 and name ca) (resid 96 and name c ) 
	(resid 97 and name n )    			  46.00 $noexpectation 
  !!    T97
 assign (resid 96 and name c ) (resid 97 and name n ) 
        (resid 97 and name ca) (resid 97 and name c )
	(resid 98 and name n )     			  61.45   71.35 
  !!    L98
 assign (resid 97 and name c ) (resid 98 and name n ) 
        (resid 98 and name ca) (resid 98 and name c )
	(resid 99 and name n )     			  54.44   43.60 
  !!    K99
 assign (resid 98 and name c ) (resid 99 and name n ) 
        (resid 99 and name ca) (resid 99 and name c )
	(resid 100 and name n )     			  54.75   37.59 
  !!    Y100
 assign (resid 99 and name c ) (resid 100 and name n ) 
        (resid 100 and name ca) (resid 100 and name c )
	(resid 101 and name n )    			  58.19   39.85 
  !!    E105


F. DIPOLAR COUPLING RESTRAINTS

ALL DIPOLAR COUPLINGS ARE NORMALIZED RELATIVE TO N-H COUPLINGS



assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 2    and name N   )
       ( resid 2    and name HN  )   2.1840  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 3    and name N   )
       ( resid 3    and name HN  )  -29.0342  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 4    and name N   )
       ( resid 4    and name HN  )  0.9409  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 5    and name N   )
       ( resid 5    and name HN  )  -9.0049  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 6    and name N   )
       ( resid 6    and name HN  )  20.2630  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 7    and name N   )
       ( resid 7    and name HN  )  -1.4492  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 8    and name N   )
       ( resid 8    and name HN  )  -5.0835  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 9    and name N   )
       ( resid 9    and name HN  )  4.5508  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 10   and name N   )
       ( resid 10   and name HN  )  14.1836  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 11   and name N   )
       ( resid 11   and name HN  )  11.8779  0.2000

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 N   )
       ( resid 12   and name HN  )  5.0244  0.2000

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  )  10.5016  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  )  3.8120  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 N   )
       ( resid 15   and name HN  )  6.3029  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  )  11.5844  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 N   )
       ( resid 17   and name HN  )  2.1343  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  )  16.8021  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  )  -1.3648  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  )  4.9814  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  )  6.1343  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  )  12.0492  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  )  13.0464  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  )  5.1382  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  )  -6.6304  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  )  13.3722  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  )  9.3448  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  )  5.2441  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  )  -1.8267  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  )  6.8770  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  )  4.8711  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  )  5.9521  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  )  16.1906  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  )  5.5811  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  )  -9.7183  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 40   and name N   )
       ( resid 40   and name HN  )  11.6153  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  )  8.9298  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  )  14.9822  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  )  8.7269  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  )  15.9643  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  )  4.8647  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 47   and name N   )
       ( resid 47   and name HN  )  20.9422  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  )  9.2933  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  )  12.1315  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  )  11.6103  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 57   and name N   )
       ( resid 57   and name HN  )  -18.2242  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 N   )
       ( resid 58   and name HN  )  -4.3247  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  )  6.3384  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  )  10.2807  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  )  13.7902  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  )  10.3980  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  )  17.0124  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  )  7.8184  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  )  9.4872  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 67   and name N   )
       ( resid 67   and name HN  )  0.8394  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  )  22.1693  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  )  5.6562  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  )  8.1483  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 72   and name N   )
       ( resid 72   and name HN  )  7.4913  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  )  8.5253  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  )  -2.4922  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  )  0.9497  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  )  5.5639  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  )  -1.3384  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 N   )
       ( resid 78   and name HN  )  -13.7559  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  )  9.4332  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  )  5.7149  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  )  -6.8784  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  )  12.6950  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  )  13.3767  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 87   and name N   )
       ( resid 87   and name HN  )  18.6773  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 N   )
       ( resid 88   and name HN  )  -3.1679  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  )  -21.0738  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 90   and name N   )
       ( resid 90   and name HN  )  2.9599  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  )  17.3525  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  )  11.2610  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  )  -2.0328  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  )  11.3247  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  )  5.3399  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 N   )
       ( resid 97   and name HN  )  4.0127  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  )  11.6673  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 N   )
       ( resid 101  and name HN  )  2.1816  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 NE1   )
       ( resid 49  and name HE1  )  17.55  0.2000



assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 1    and name CA  )
       ( resid 1    and name HA  )  -10.3664  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 3    and name CA  )
       ( resid 3    and name HA  )  -13.1623  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 4    and name CA  )
       ( resid 4    and name HA  )  -31.6899  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 6    and name CA  )
       ( resid 6    and name HA  )  14.7449  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 7    and name CA  )
       ( resid 7    and name HA  )  9.4174  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 8    and name CA  )
       ( resid 8    and name HA  )  -15.7098  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 9    and name CA  )
       ( resid 9    and name HA  )  -9.6773  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 10   and name CA  )
       ( resid 10   and name HA  )  -2.0780  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 11   and name CA  )
       ( resid 11   and name HA  )  3.3  0.2000

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 CA  )
       ( resid 12   and name HA  )  -0.3407  0.2000

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 CA  )
       ( resid 13   and name HA  )  0.2627  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 CA  )
       ( resid 14   and name HA  )  -5.2505  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 CA  )
       ( resid 16   and name HA  )  8.0559  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 CA  )
       ( resid 17   and name HA  )  14.2314  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 CA  )
       ( resid 18   and name HA  )  6.8384  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 CA  )
       ( resid 19   and name HA  )  1.62  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 CA  )
       ( resid 20   and name HA  )  13.3910  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 CA  )
       ( resid 21   and name HA  )  12.2860  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 CA  )
       ( resid 22   and name HA  )  9.4031  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 CA  )
       ( resid 23   and name HA  )  8.8441  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 CA  )
       ( resid 24   and name HA  )  2.9480  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 CA  )
       ( resid 25   and name HA  )  4.9590  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 CA  )
       ( resid 26   and name HA  )  0.8830  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 CA  )
       ( resid 29   and name HA  )  10.9  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 CA  )
       ( resid 31   and name HA  )  6.7532  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 CA  )
       ( resid 32   and name HA  )  13.5327  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 CA  )
       ( resid 33   and name HA  )  10.1908  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 CA  )
       ( resid 35   and name HA  )  12.4861  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 CA  )
       ( resid 36   and name HA  )  -8.4565  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 CA  )
       ( resid 37   and name HA  )  -13.8605  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 38   and name CA  )
       ( resid 38   and name HA  )  -8.0286  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 CA  )
       ( resid 39   and name HA  )  20.8985  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 40   and name CA  )
       ( resid 40   and name HA  )  13.7380  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 CA  )
       ( resid 41   and name HA  )  13.3092  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 CA  )
       ( resid 42   and name HA  )  12.8972  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 CA  )
       ( resid 44   and name HA  )  -6.8776  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 CA  )
       ( resid 46   and name HA  )  22.2935  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 47   and name CA  )
       ( resid 47   and name HA  )  13.4925  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 CA  )
       ( resid 48   and name HA  )  12.2071  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 CA  )
       ( resid 49   and name HA  )  13.4356  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 CA  )
       ( resid 55   and name HA  )  15.3  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 CA  )
       ( resid 56   and name HA  )  14.1529  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 57   and name CA  )
       ( resid 57   and name HA  )  -10.5660  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 CA  )
       ( resid 58   and name HA  )  -16.0491  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 CA  )
       ( resid 59   and name HA  )  -4.0047  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 CA  )
       ( resid 60   and name HA  )  8.8245  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 CA  )
       ( resid 61   and name HA  )  8.0621  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 CA  )
       ( resid 62   and name HA  )  0.6480  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 CA  )
       ( resid 63   and name HA  )  19.8351  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 CA  )
       ( resid 64   and name HA  )  17.3991  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 CA  )
       ( resid 66   and name HA  )  10.6584  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 67   and name CA  )
       ( resid 67   and name HA  )  1.8502  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 CA  )
       ( resid 69   and name HA  )  14.9416  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 CA  )
       ( resid 70   and name HA  )  12.3683  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 CA  )
       ( resid 71   and name HA  )  15.8428  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 72   and name CA  )
       ( resid 72   and name HA  )  11.8601  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 CA  )
       ( resid 73   and name HA  )  10.1453  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 CA  )
       ( resid 74   and name HA  )  -0.8868  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 CA  )
       ( resid 75   and name HA  )  -18.3520  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 CA  )
       ( resid 76   and name HA  )  6.8657  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 CA  )
       ( resid 77   and name HA  )  0.3259  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 CA  )
       ( resid 78   and name HA  )  -22.4644  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 CA  )
       ( resid 80   and name HA  )  4.4062  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 CA  )
       ( resid 81   and name HA  )  4.8848  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 CA  )
       ( resid 83   and name HA  )  10.5421  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 84   and name CA  )
       ( resid 84   and name HA  )  8.1  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 CA  )
       ( resid 85   and name HA  )  11.7122  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 CA  )
       ( resid 86   and name HA  )  21.5388  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 87   and name CA  )
       ( resid 87   and name HA  )  15.6547  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 CA  )
       ( resid 88   and name HA  )  -15.6619  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 90   and name CA  )
       ( resid 90   and name HA  )  -5.4338  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 CA  )
       ( resid 92   and name HA  )  17.7853  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 CA  )
       ( resid 93   and name HA  )  6.9135  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 CA  )
       ( resid 94   and name HA  )  4.4479  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 CA  )
       ( resid 99   and name HA  )  5.5146  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 CA  )
       ( resid 100  and name HA  )  14.3750  0.2000



assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 1    and name CA  )
       ( resid 1    and name C   )  6.4481  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 4    and name CA  )
       ( resid 4    and name C   )  18.1437  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 7    and name CA  )
       ( resid 7    and name C   )  3.8975  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 8    and name CA  )
       ( resid 8    and name C   )  14.1782  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 9    and name CA  )
       ( resid 9    and name C   )  0.5598  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 11   and name CA  )
       ( resid 11   and name C   )  -19.0694  0.2000

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 CA  )
       ( resid 12   and name C   )  12.1665  0.2000

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 CA  )
       ( resid 13   and name C   )  -6.5134  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 CA  )
       ( resid 18   and name C   )  -16.8097  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 CA  )
       ( resid 19   and name C   )  -1.6115  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 CA  )
       ( resid 21   and name C   )  11.4261  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 CA  )
       ( resid 22   and name C   )  -23.7212  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 CA  )
       ( resid 24   and name C   )  -9.1294  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 CA  )
       ( resid 29   and name C   )  7.5865  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 CA  )
       ( resid 30   and name C   )  -38.1737  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 CA  )
       ( resid 31   and name C   )  10.9397  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 CA  )
       ( resid 37   and name C   )  10.5052  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 CA  )
       ( resid 39   and name C   )  -6.0849  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 40   and name CA  )
       ( resid 40   and name C   )  -19.8179  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 CA  )
       ( resid 41   and name C   )  -3.3355  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 CA  )
       ( resid 42   and name C   )  7.5233  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 CA  )
       ( resid 43   and name C   )  -7.7012  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 CA  )
       ( resid 49   and name C   )  14.6957  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 CA  )
       ( resid 56   and name C   )  -8.3971  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 57   and name CA  )
       ( resid 57   and name C   )  8.6483  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 CA  )
       ( resid 61   and name C   )  3.9082  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 CA  )
       ( resid 64   and name C   )  -15.3080  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 CA  )
       ( resid 70   and name C   )  8.7689  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 CA  )
       ( resid 71   and name C   )  -24.7830  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 72   and name CA  )
       ( resid 72   and name C   )  18.0446  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 CA  )
       ( resid 73   and name C   )  -18.9232  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 CA  )
       ( resid 74   and name C   )  25.2743  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 CA  )
       ( resid 75   and name C   )  0.7902  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 CA  )
       ( resid 76   and name C   )  -12.9589  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 CA  )
       ( resid 77   and name C   )  6.2022  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 CA  )
       ( resid 82   and name C   )  -5.7549  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 CA  )
       ( resid 83   and name C   )  -18.5674  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 CA  )
       ( resid 84   and name C   )  8.4024  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 CA  )
       ( resid 88   and name C   )  7.0840  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 CA  )
       ( resid 92   and name C   )  -6.4925  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 CA  )
       ( resid 93   and name C   )  -12.9562  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 CA  )
       ( resid 94   and name C   )  13.1426  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 CA  )
       ( resid 100  and name C   )  3.7094  0.2000



assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 2    and name C   )
       ( resid 3    and name N   )  4.1778  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 4    and name C   )
       ( resid 5    and name N   )  -11.4664  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 5    and name C   )
       ( resid 6    and name N   )  6.5378  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 6    and name C   )
       ( resid 7    and name N   )  20.8276  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 8    and name C   )
       ( resid 9   and name N   )  20.4653  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 9   and name C   )
       ( resid 10   and name N   )  0.2602  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 10   and name C   )
       ( resid 11   and name N   )  6.9308  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 11   and name C   )
       ( resid 12   and name N   )  19.0278  0.2000

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 C   )
       ( resid 14   and name N   )  21.4845  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 C   )
       ( resid 15   and name N   )  -39.8898  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   )  17.3021  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   )  -7.7557  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   )  28.1279  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   )  -37.5605  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   )  15.5990  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   )  -1.2965  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   )  14.3287  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   )  11.5893  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   )  -15.6930  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 27   and name C   )
       ( resid 28   and name N   )  16.7112  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   )  1.9326  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   )  -16.9895  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   )  0.6840  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   )  8.9474  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 C   )
       ( resid 38   and name N   )  -25.9930  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   )  21.5206  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 C   )
       ( resid 40   and name N   )  -8.9384  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 40   and name C   )
       ( resid 41   and name N   )  -6.2423  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   )  -26.3327  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 C   )
       ( resid 43   and name N   )  19.6404  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   )  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 45   and name C   )
       ( resid 46   and name N   )  -15.8909  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 47   and name C   )
       ( resid 48   and name N   )  21.3516  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   )  -16.5305  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 C   )
       ( resid 56   and name N   )  21.3787  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 C   )
       ( resid 57   and name N   )  13.1026  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 57   and name C   )
       ( resid 58   and name N   )  -12.1196  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   )  26.0905  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   )  15.8556  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 C   )
       ( resid 61   and name N   )  -4.8482  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   )  11.2550  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   )  16.3896  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 C   )
       ( resid 67   and name N   )  -2.0862  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 67   and name C   )
       ( resid 68   and name N   )  -13.7152  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 C   )
       ( resid 70   and name N   )  9.0134  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   )  -18.6348  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 C   )
       ( resid 72   and name N   )  -3.1008  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   )  18.4668  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 C   )
       ( resid 75   and name N   )  -21.1628  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   )  16.6317  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 C   )
       ( resid 78   and name N   )  -11.4528  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   )  10.3713  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 C   )
       ( resid 84   and name N   )  -0.0660  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   )  -1.9236  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 C   )
       ( resid 87   and name N   )  10.6144  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 87   and name C   )
       ( resid 88   and name N   )  21.3878  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   )  -15.0922  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   )  18.2156  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 91   and name C   )
       ( resid 92   and name N   )  -13.9718  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   )  20.5186  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   )  -7.7024  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   )  -5.5936  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 C   )
       ( resid 97   and name N   )  25.6894  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   )  -28.1776  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 C   )
       ( resid 101  and name N   )  17.35  0.2000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 2    and name C   )
       ( resid 3    and name HN   )  -12.58  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 4    and name C   )
       ( resid 5    and name HN   )  -13.28  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 5    and name C   )
       ( resid 6    and name HN   )  9.08  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 6    and name C   )
       ( resid 7    and name HN   )  14.90  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 8    and name C   )
       ( resid 9   and name HN   )  11.52  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 9   and name C   )
       ( resid 10   and name HN   )  6.71  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 10   and name C   )
       ( resid 11   and name HN   )  9.51  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 11   and name C   )
       ( resid 12   and name HN   )  20.62  0.2000

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 C   )
       ( resid 14   and name HN   )  15.32  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 C   )
       ( resid 15   and name HN   )  -17.51  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   )  3.37  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   )  11.06  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   )  21.25  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   )  -11.54  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   )  13.51  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   )  3.73  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   )  15.52  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   )  11.25  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   )  -18.60  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   )  13.68  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   )  11.38  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   )  -14.31  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   )  8.16  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   )  9.27  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 C   )
       ( resid 38   and name HN   )  -27.29  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   )  17.88  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 C   )
       ( resid 40   and name HN   )  9.18  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   )  -15.3  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 C   )
       ( resid 43   and name HN   )  14.47  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   )  -5.13  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 C   )
       ( resid 47   and name HN   )  4.91  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 47   and name C   )
       ( resid 48   and name HN   )  17.69  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   )  4.66  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 C   )
       ( resid 56   and name HN   )  15.75  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 C   )
       ( resid 57   and name HN   )  -4.38  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 57   and name C   )
       ( resid 58   and name HN   )  -18.00  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   )  7.71  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   )  18.48  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 C   )
       ( resid 61   and name HN   )  3.72  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   )  14.73  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   )  17.53  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 C   )
       ( resid 67   and name HN   )  -3.46  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 67   and name C   )
       ( resid 68   and name HN   )  6.54  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   )  -9.44  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 C   )
       ( resid 72   and name HN   )  1.84  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   )  10.29  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 C   )
       ( resid 75   and name HN   )  -19.94  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   )  14.97  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 C   )
       ( resid 78   and name HN   )  -22.17  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   )  3.30  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 C   )
       ( resid 84   and name HN   )  11.12  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   )  20.98  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 C   )
       ( resid 87   and name HN   )  15.07  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 87   and name C   )
       ( resid 88   and name HN   )  17.33  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   )  -27.95  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   )  9.88  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 91   and name C   )
       ( resid 92   and name HN   )  5.87  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   )  12.89  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   )  1.25  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   )  -2.41  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 C   )
       ( resid 97   and name HN   )  16.09  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 C   )
       ( resid 101  and name HN   )  8.63 0.2 



!! Alanine CB
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 CB  )
       ( resid 12   and name CA  )  9.5648  0.1000  9.5648

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 CB  )
       ( resid 64   and name CA  )  -13.9409  13.9409  0.1000

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 CB  )
       ( resid 70   and name CA  )  22.2954  0.1000  22.2954

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 CB  )
       ( resid 71   and name CA  )  17.5001  0.1000  17.5001

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 CB  )
       ( resid 77   and name CA  )  10.2324  0.1000  10.2324

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 CB  )
       ( resid 92   and name CA  )  2.9102  0.1000  2.9102

!! Isoleucine CG2

!Ile13
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 CB  )
       ( resid 13   and name CG2  )  -6.26902  6.26902  0.1000

!Ile40
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 40   and name CB  )
       ( resid 40   and name CG2  )  -13.2432  13.2432  0.1000
 
!Ile55
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 CB  )
       ( resid 55   and name CG2  )  7.23177  0.1000  7.23177
 
!Ile85
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 CB  )
       ( resid 85   and name CG2  )  6.24687  0.1000  6.24687


!Ile91
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 91   and name CB  )
       ( resid 91   and name CG2  )  -0.10624  0.10624  0.1000
 
 
!Ile94
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 CB  )
       ( resid 94   and name CG2  )  -12.0588  12.0588  0.1000
 
 

!! Isoleucine CD1
 
! Ile13
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 CD1 )
       ( resid 13   and name CG1 )  5.92812  0.1000  5.92182
 

! Ile34
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 CD1 )
       ( resid 34   and name CG1 )  0.23259  0.1000  0.23259
 
 
! Ile40
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 40   and name CD1 )
       ( resid 40   and name CG1 )  12.8828  0.1000  12.8828
 
 
! Ile55
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 CD1 )
       ( resid 55   and name CG1 )   10.6474  0.1000  10.6474
 
!Ile85
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 CD1 )
       ( resid 85   and name CG1 )  15.6911  0.1000  15.6911
 
!Ile91
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 91   and name CD1 )
       ( resid 91   and name CG1 )  8.2985  0.1000  8.2985
 
!Ile94
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 CD1 )
       ( resid 94   and name CG1 )  8.2684  0.1000  8.2684
 

!! Threonine CG2
! T19
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 CG2 )
       ( resid 19   and name CB  )  -14.5971  14.5971  0.1000
 
! T31
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 CG2 )
       ( resid 31   and name CB  )  -24.2552  24.2552  0.1000
 
! T61
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 CG2 )
       ( resid 61   and name CB  )  6.63882  0.1000  6.63882

! T75
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 CG2 )
       ( resid 75   and name CB  )  9.45141  0.1000  9.45141



 
!! beta's


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 7    and name CB  )
       ( resid 7    and name HB  )  -10.1674 10.1674  0.1000

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 CB  )
       ( resid 13   and name HB  )  5.7362  0.1000  5.7362

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 CB  )
       ( resid 17   and name HB  )  9.1116  0.1000  9.1116

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 CB  )
       ( resid 19   and name HB  )  -0.8523 0.8523  0.1000

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 CB  )
       ( resid 21   and name HB  )  9.9013  0.1000  9.9013

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 CB  )
       ( resid 31   and name HB  )  3.7807  0.1000  3.7807


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 CB  )
       ( resid 39   and name HB  )  11.8137  0.1000  11.8137

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 CB  )
       ( resid 61   and name HB  )  -18.1692  18.1692  0.1000

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 CB  )
       ( resid 75   and name HB  )  15.0771  0.1000  15.0771

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 91   and name CB  )
       ( resid 91   and name HB  )  16.0663  0.1000  16.0663

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 CB  )
       ( resid 94   and name HB  )  0.3350  0.1000  0.3350

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 CB  )
       ( resid 97   and name HB  )  2.2522  0.1000  2.2522



!! gamma's

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 CG  )
       ( resid 36   and name HG  )  2.2105  0.1000  2.2105

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 CG  )
       ( resid 69   and name HG  )  -16.1764  16.1764  0.1000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 87   and name CG  )
       ( resid 87   and name HG  )  3.2869  0.1000  3.2869



assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 4    and (name CE1 or name CE2 ))
       ( resid 4    and (name HE1 or name HE2 ))  -4.62 4.62  0.1000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 9    and (name CD1 or name CD2 ))
       ( resid 9    and (name HD1 or name HD2 ))  -3.33 3.33 0.1000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 9    and (name CE1 or name CE2 ))
       ( resid 9    and (name HE1 or name HE2 ))  -2.78 2.78 0.1000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 90   and name CE1 )
       ( resid 90   and name HE1 )  12.5971  0.1000  12.5971

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 CD1 )
       ( resid 49   and name HD1 )  3.1342  0.1000  3.1342

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 CZ2 )
       ( resid 49   and name HZ2 )  15.1067  0.1000  15.1067

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 CD1 or name CD2 ))
       ( resid 100  and (name HD1 or name HD2 )) 6.64  0.1000  6.64

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 CE1 or name CE2)) 
       ( resid 100  and (name HE1 or name HE2))  6.18  0.1000  6.18



! V17
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 CB  )
       ( resid 17   and (name CG1 or name CG2))
-27.3305  27.3305  0.1000
11.8003  0.1000  11.8003


! V81
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 CB  )
       ( resid 81   and (name CG1 or name CG2))
0.48384  0.1000  0.48384
-18.844  18.844  0.1000
 
 

!! Leucine CD#
! L18
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 CG  )
       ( resid 18   and (name CD1 or name CD2))
12.9962  0.1000  12.9962
10.3243  0.1000  10.3243 


! L47
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 47   and name CG  )
       ( resid 47   and (name CD1 or name CD2))
10.9302  0.1000  10.9302
3.26916  0.1000  3.26916

! L69
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 CG  )
       ( resid 69   and (name CD1 or name CD2))
8.15925  0.1000  8.15925
9.71127  0.1000  9.71127


! L98
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 CG  )
       ( resid 98   and (name CD1 or name CD2))
8.99772  0.1000  8.99772
-24.6055  24.6055  0.1000 
                                         

  Entry H atom name         Submitted Coord H atom name
    1   1H    LEU   1          1H        LEU   1  83.765  12.456  -3.266
    2   2H    LEU   1          2H        LEU   1  85.055  11.378  -3.486
    3   3H    LEU   1          3H        LEU   1  84.612  12.437  -4.738
    4    HA   LEU   1           HA       LEU   1  82.763  11.238  -5.321
    5   1HB   LEU   1          1HB       LEU   1  84.662   9.204  -4.116
    6   2HB   LEU   1          2HB       LEU   1  83.398   8.842  -5.291
    7    HG   LEU   1           HG       LEU   1  85.691  10.772  -5.764
    8   1HD1  LEU   1          1HD1      LEU   1  86.281   8.292  -5.524
    9   2HD1  LEU   1          2HD1      LEU   1  85.321   8.022  -6.978
   10   3HD1  LEU   1          3HD1      LEU   1  86.750   9.055  -7.043
   11   1HD2  LEU   1          1HD2      LEU   1  83.231  10.041  -7.290
   12   2HD2  LEU   1          2HD2      LEU   1  84.221  11.496  -7.386
   13   3HD2  LEU   1          3HD2      LEU   1  84.714  10.038  -8.241
   14    H    GLY   2           H        GLY   2  80.805  10.469  -4.647
   15   1HA   GLY   2          1HA       GLY   2  79.118   9.737  -3.218
   16   2HA   GLY   2          2HA       GLY   2  80.357   8.929  -2.270
   17    H    LYS   3           H        LYS   3  79.670   9.560  -0.207
   18    HA   LYS   3           HA       LYS   3  79.694  10.896   1.695
   19   1HB   LYS   3          1HB       LYS   3  80.466  13.207  -0.120
   20   2HB   LYS   3          2HB       LYS   3  80.489  13.186   1.632
   21   1HG   LYS   3          1HG       LYS   3  82.118  11.359   1.636
   22   2HG   LYS   3          2HG       LYS   3  82.108  11.323  -0.125
   23   1HD   LYS   3          1HD       LYS   3  82.887  13.702  -0.126
   24   2HD   LYS   3          2HD       LYS   3  83.026  13.611   1.630
   25   1HE   LYS   3          1HE       LYS   3  84.564  11.656   1.356
   26   2HE   LYS   3          2HE       LYS   3  84.522  11.923  -0.387
   27   1HZ   LYS   3          1HZ       LYS   3  85.053  14.376   0.797
   28   2HZ   LYS   3          2HZ       LYS   3  86.065  13.249   1.562
   29   3HZ   LYS   3          3HZ       LYS   3  86.108  13.417  -0.127
   30    H    PHE   4           H        PHE   4  77.473  10.586  -0.394
   31    HA   PHE   4           HA       PHE   4  75.721  12.762  -0.475
   32   1HB   PHE   4          1HB       PHE   4  73.973  11.185  -0.770
   33   2HB   PHE   4          2HB       PHE   4  75.402  10.334  -1.351
   34    HD1  PHE   4           HD1      PHE   4  76.547   8.636   0.146
   35    HD2  PHE   4           HD2      PHE   4  72.780  10.460   1.178
   36    HE1  PHE   4           HE1      PHE   4  76.146   6.858   1.846
   37    HE2  PHE   4           HE2      PHE   4  72.389   8.688   2.878
   38    HZ   PHE   4           HZ       PHE   4  74.074   6.889   3.211
   39    H    SER   5           H        SER   5  76.744  11.042   2.416
   40    HA   SER   5           HA       SER   5  74.468  11.743   3.995
   41   1HB   SER   5          1HB       SER   5  75.924  11.163   5.896
   42   2HB   SER   5          2HB       SER   5  76.051   9.966   4.609
   43    HG   SER   5           HG       SER   5  77.896  11.829   5.531
   44    H    GLN   6           H        GLN   6  77.001  13.722   2.763
   45    HA   GLN   6           HA       GLN   6  77.106  15.615   4.968
   46   1HB   GLN   6          1HB       GLN   6  77.866  15.853   2.047
   47   2HB   GLN   6          2HB       GLN   6  78.084  17.151   3.219
   48   1HG   GLN   6          1HG       GLN   6  79.509  15.671   4.593
   49   2HG   GLN   6          2HG       GLN   6  79.308  14.379   3.406
   50   1HE2  GLN   6          1HE2      GLN   6  82.203  15.641   1.805
   51   2HE2  GLN   6          2HE2      GLN   6  81.480  14.325   2.595
   52    H    THR   7           H        THR   7  74.979  15.153   2.213
   53    HA   THR   7           HA       THR   7  73.470  17.587   3.115
   54    HB   THR   7           HB       THR   7  72.784  17.907   0.736
   55    HG1  THR   7           HG1      THR   7  74.878  16.194   0.014
   56   1HG2  THR   7          1HG2      THR   7  74.915  18.941   1.874
   57   2HG2  THR   7          2HG2      THR   7  75.792  17.857   0.795
   58   3HG2  THR   7          3HG2      THR   7  74.717  19.084   0.128
   59    H    CYS   8           H        CYS   8  73.191  14.505   3.555
   60    HA   CYS   8           HA       CYS   8  70.281  14.502   2.893
   61   1HB   CYS   8          1HB       CYS   8  72.120  12.086   2.736
   62   2HB   CYS   8          2HB       CYS   8  70.385  12.086   2.415
   63    H    TYR   9           H        TYR   9  68.966  13.332   4.486
   64    HA   TYR   9           HA       TYR   9  70.380  12.496   6.960
   65   1HB   TYR   9          1HB       TYR   9  69.158  13.990   8.392
   66   2HB   TYR   9          2HB       TYR   9  69.926  14.954   7.135
   67    HD1  TYR   9           HD1      TYR   9  68.579  15.846   5.227
   68    HD2  TYR   9           HD2      TYR   9  66.782  13.785   8.548
   69    HE1  TYR   9           HE1      TYR   9  66.352  16.742   4.573
   70    HE2  TYR   9           HE2      TYR   9  64.547  14.685   7.902
   71    HH   TYR   9           HH       TYR   9  63.514  15.540   5.570
   72    H    ASN  10           H        ASN  10  68.660  11.663   8.603
   73    HA   ASN  10           HA       ASN  10  67.045  10.030   9.047
   74   1HB   ASN  10          1HB       ASN  10  65.686  11.707   6.934
   75   2HB   ASN  10          2HB       ASN  10  64.903  10.263   7.570
   76   1HD2  ASN  10          1HD2      ASN  10  63.786  13.027   9.756
   77   2HD2  ASN  10          2HD2      ASN  10  63.548  12.545   8.146
   78    H    SER  11           H        SER  11  69.195   9.365   7.251
   79    HA   SER  11           HA       SER  11  68.222   7.870   4.983
   80   1HB   SER  11          1HB       SER  11  70.783   7.682   6.587
   81   2HB   SER  11          2HB       SER  11  70.471   6.722   5.143
   82    HG   SER  11           HG       SER  11  71.601   8.820   4.886
   83    H    ALA  12           H        ALA  12  67.726   5.735   4.780
   84    HA   ALA  12           HA       ALA  12  67.745   4.011   7.212
   85   1HB   ALA  12          1HB       ALA  12  65.513   5.361   6.790
   86   2HB   ALA  12          2HB       ALA  12  65.234   4.142   5.548
   87   3HB   ALA  12          3HB       ALA  12  65.432   3.656   7.232
   88    H    ILE  13           H        ILE  13  67.562   1.756   6.698
   89    HA   ILE  13           HA       ILE  13  67.778   1.035   3.801
   90    HB   ILE  13           HB       ILE  13  69.703   0.201   6.002
   91   1HG1  ILE  13          1HG1      ILE  13  70.252   1.228   3.201
   92   2HG1  ILE  13          2HG1      ILE  13  69.984   2.341   4.534
   93   1HG2  ILE  13          1HG2      ILE  13  68.984  -1.150   3.418
   94   2HG2  ILE  13          2HG2      ILE  13  70.655  -1.191   3.968
   95   3HG2  ILE  13          3HG2      ILE  13  69.379  -1.858   4.983
   96   1HD1  ILE  13          1HD1      ILE  13  71.861   0.931   5.728
   97   2HD1  ILE  13          2HD1      ILE  13  72.272   0.440   4.088
   98   3HD1  ILE  13          3HD1      ILE  13  72.312   2.142   4.532
   99    H    GLN  14           H        GLN  14  66.647  -0.703   3.241
  100    HA   GLN  14           HA       GLN  14  65.689  -2.585   5.357
  101   1HB   GLN  14          1HB       GLN  14  63.857  -0.960   4.868
  102   2HB   GLN  14          2HB       GLN  14  63.951  -1.403   3.162
  103   1HG   GLN  14          1HG       GLN  14  63.315  -3.674   3.634
  104   2HG   GLN  14          2HG       GLN  14  63.460  -3.412   5.371
  105   1HE2  GLN  14          1HE2      GLN  14  59.851  -3.122   4.601
  106   2HE2  GLN  14          2HE2      GLN  14  61.018  -4.354   4.586
  107    H    GLY  15           H        GLY  15  66.632  -4.456   4.709
  108   1HA   GLY  15          1HA       GLY  15  67.140  -6.261   3.271
  109   2HA   GLY  15          2HA       GLY  15  66.057  -5.540   2.073
  110    H    SER  16           H        SER  16  67.090  -4.837   0.255
  111    HA   SER  16           HA       SER  16  69.976  -4.018   0.466
  112   1HB   SER  16          1HB       SER  16  70.176  -4.639  -1.883
  113   2HB   SER  16          2HB       SER  16  69.523  -5.999  -0.973
  114    HG   SER  16           HG       SER  16  68.418  -4.557  -2.991
  115    H    VAL  17           H        VAL  17  66.981  -2.651   0.356
  116    HA   VAL  17           HA       VAL  17  67.579  -0.647  -1.736
  117    HB   VAL  17           HB       VAL  17  65.168  -1.065   0.050
  118   1HG1  VAL  17          1HG1      VAL  17  65.715   0.989  -2.114
  119   2HG1  VAL  17          2HG1      VAL  17  64.087   0.603  -1.556
  120   3HG1  VAL  17          3HG1      VAL  17  65.258   1.289  -0.438
  121   1HG2  VAL  17          1HG2      VAL  17  65.960  -1.972  -2.696
  122   2HG2  VAL  17          2HG2      VAL  17  64.932  -2.760  -1.504
  123   3HG2  VAL  17          3HG2      VAL  17  64.288  -1.461  -2.503
  124    H    LEU  18           H        LEU  18  68.544   1.233  -1.330
  125    HA   LEU  18           HA       LEU  18  68.738   2.264   1.479
  126   1HB   LEU  18          1HB       LEU  18  70.853   2.202   0.277
  127   2HB   LEU  18          2HB       LEU  18  70.146   3.012  -1.113
  128    HG   LEU  18           HG       LEU  18  69.785   5.046   0.259
  129   1HD1  LEU  18          1HD1      LEU  18  70.979   3.292   2.410
  130   2HD1  LEU  18          2HD1      LEU  18  71.041   5.050   2.513
  131   3HD1  LEU  18          3HD1      LEU  18  69.484   4.226   2.468
  132   1HD2  LEU  18          1HD2      LEU  18  71.951   4.576  -0.983
  133   2HD2  LEU  18          2HD2      LEU  18  72.083   5.729   0.345
  134   3HD2  LEU  18          3HD2      LEU  18  72.634   4.068   0.562
  135    H    THR  19           H        THR  19  67.447   3.895   2.116
  136    HA   THR  19           HA       THR  19  66.067   5.533   0.021
  137    HB   THR  19           HB       THR  19  64.932   4.378   2.591
  138    HG1  THR  19           HG1      THR  19  64.754   2.798   1.201
  139   1HG2  THR  19          1HG2      THR  19  64.101   6.742   1.297
  140   2HG2  THR  19          2HG2      THR  19  62.992   5.502   0.723
  141   3HG2  THR  19          3HG2      THR  19  63.158   5.798   2.451
  142    H    SER  20           H        SER  20  66.329   7.751   0.381
  143    HA   SER  20           HA       SER  20  66.706   8.668   3.165
  144   1HB   SER  20          1HB       SER  20  68.974   7.885   2.338
  145   2HB   SER  20          2HB       SER  20  68.906   9.185   1.153
  146    HG   SER  20           HG       SER  20  68.481  10.570   3.055
  147    H    THR  21           H        THR  21  66.681  11.007   3.341
  148    HA   THR  21           HA       THR  21  65.312  12.316   1.039
  149    HB   THR  21           HB       THR  21  65.611  13.164   3.946
  150    HG1  THR  21           HG1      THR  21  63.275  12.747   3.813
  151   1HG2  THR  21          1HG2      THR  21  63.975  14.382   1.698
  152   2HG2  THR  21          2HG2      THR  21  63.942  14.898   3.383
  153   3HG2  THR  21          3HG2      THR  21  65.408  15.105   2.428
  154    H    CYS  22           H        CYS  22  66.572  13.639  -0.228
  155    HA   CYS  22           HA       CYS  22  69.091  14.742   0.965
  156   1HB   CYS  22          1HB       CYS  22  68.537  13.732  -1.819
  157   2HB   CYS  22          2HB       CYS  22  69.973  14.664  -1.393
  158    H    GLU  23           H        GLU  23  69.762  16.814   0.252
  159    HA   GLU  23           HA       GLU  23  67.528  18.607  -0.383
  160   1HB   GLU  23          1HB       GLU  23  69.246  19.191   1.344
  161   2HB   GLU  23          2HB       GLU  23  70.434  19.315   0.041
  162   1HG   GLU  23          1HG       GLU  23  69.078  21.041  -1.056
  163   2HG   GLU  23          2HG       GLU  23  67.850  20.895   0.201
  164    H    ARG  24           H        ARG  24  67.260  19.754  -2.173
  165    HA   ARG  24           HA       ARG  24  68.528  18.870  -4.690
  166   1HB   ARG  24          1HB       ARG  24  66.453  20.951  -4.008
  167   2HB   ARG  24          2HB       ARG  24  67.002  20.596  -5.644
  168   1HG   ARG  24          1HG       ARG  24  66.280  18.244  -5.366
  169   2HG   ARG  24          2HG       ARG  24  65.700  18.623  -3.743
  170   1HD   ARG  24          1HD       ARG  24  63.892  19.855  -4.532
  171   2HD   ARG  24          2HD       ARG  24  64.717  20.335  -6.010
  172    HE   ARG  24           HE       ARG  24  64.372  17.550  -6.172
  173   1HH1  ARG  24          1HH1      ARG  24  62.465  20.392  -5.818
  174   2HH1  ARG  24          2HH1      ARG  24  61.090  19.736  -6.640
  175   1HH2  ARG  24          1HH2      ARG  24  62.599  16.674  -7.256
  176   2HH2  ARG  24          2HH2      ARG  24  61.165  17.624  -7.458
  177    H    THR  25           H        THR  25  69.620  20.247  -6.103
  178    HA   THR  25           HA       THR  25  71.569  21.965  -4.949
  179    HB   THR  25           HB       THR  25  70.606  22.185  -7.812
  180    HG1  THR  25           HG1      THR  25  71.450  20.291  -8.242
  181   1HG2  THR  25          1HG2      THR  25  72.711  23.414  -6.450
  182   2HG2  THR  25          2HG2      THR  25  73.485  22.035  -7.237
  183   3HG2  THR  25          3HG2      THR  25  72.597  23.214  -8.197
  184    H    ASN  26           H        ASN  26  68.423  22.610  -6.502
  185    HA   ASN  26           HA       ASN  26  68.789  25.466  -6.109
  186   1HB   ASN  26          1HB       ASN  26  67.242  23.778  -7.839
  187   2HB   ASN  26          2HB       ASN  26  66.065  24.694  -6.910
  188   1HD2  ASN  26          1HD2      ASN  26  66.426  27.402  -9.081
  189   2HD2  ASN  26          2HD2      ASN  26  65.394  26.405  -8.173
  190    H    GLY  27           H        GLY  27  68.553  23.649  -3.736
  191   1HA   GLY  27          1HA       GLY  27  67.626  23.919  -1.582
  192   2HA   GLY  27          2HA       GLY  27  66.724  25.306  -2.198
  193    H    GLY  28           H        GLY  28  65.685  23.170  -0.502
  194   1HA   GLY  28          1HA       GLY  28  63.292  22.385  -0.632
  195   2HA   GLY  28          2HA       GLY  28  63.592  22.034  -2.351
  196    H    TYR  29           H        TYR  29  62.759  19.935  -0.507
  197    HA   TYR  29           HA       TYR  29  65.287  18.311  -0.424
  198   1HB   TYR  29          1HB       TYR  29  62.861  18.339   1.361
  199   2HB   TYR  29          2HB       TYR  29  63.907  16.921   1.263
  200    HD1  TYR  29           HD1      TYR  29  66.466  17.272   1.638
  201    HD2  TYR  29           HD2      TYR  29  63.451  20.172   2.733
  202    HE1  TYR  29           HE1      TYR  29  68.067  18.367   3.196
  203    HE2  TYR  29           HE2      TYR  29  65.063  21.260   4.283
  204    HH   TYR  29           HH       TYR  29  67.607  21.420   4.477
  205    H    ASN  30           H        ASN  30  65.255  16.270  -1.253
  206    HA   ASN  30           HA       ASN  30  62.788  15.412  -2.743
  207   1HB   ASN  30          1HB       ASN  30  64.543  16.310  -4.277
  208   2HB   ASN  30          2HB       ASN  30  65.675  15.113  -3.646
  209   1HD2  ASN  30          1HD2      ASN  30  64.524  13.152  -6.401
  210   2HD2  ASN  30          2HD2      ASN  30  65.789  14.134  -5.840
  211    H    THR  31           H        THR  31  62.403  13.163  -2.717
  212    HA   THR  31           HA       THR  31  64.108  11.599  -0.823
  213    HB   THR  31           HB       THR  31  61.126  11.476  -1.360
  214    HG1  THR  31           HG1      THR  31  61.239  12.131   0.961
  215   1HG2  THR  31          1HG2      THR  31  62.003   9.255  -0.719
  216   2HG2  THR  31          2HG2      THR  31  62.731   9.971   0.719
  217   3HG2  THR  31          3HG2      THR  31  60.977   9.945   0.540
  218    H    SER  32           H        SER  32  64.966   9.686  -1.750
  219    HA   SER  32           HA       SER  32  63.531   8.416  -4.005
  220   1HB   SER  32          1HB       SER  32  65.431   8.536  -5.518
  221   2HB   SER  32          2HB       SER  32  64.980  10.171  -5.041
  222    HG   SER  32           HG       SER  32  66.920  10.358  -4.280
  223    H    SER  33           H        SER  33  64.643   6.434  -4.708
  224    HA   SER  33           HA       SER  33  66.307   5.146  -2.582
  225   1HB   SER  33          1HB       SER  33  63.654   4.196  -3.660
  226   2HB   SER  33          2HB       SER  33  64.813   3.083  -2.934
  227    HG   SER  33           HG       SER  33  63.071   4.615  -1.708
  228    H    ILE  34           H        ILE  34  67.626   3.491  -3.326
  229    HA   ILE  34           HA       ILE  34  67.583   2.845  -6.233
  230    HB   ILE  34           HB       ILE  34  69.119   4.809  -5.801
  231   1HG1  ILE  34          1HG1      ILE  34  70.575   2.288  -6.668
  232   2HG1  ILE  34          2HG1      ILE  34  69.403   3.129  -7.680
  233   1HG2  ILE  34          1HG2      ILE  34  69.818   3.810  -3.515
  234   2HG2  ILE  34          2HG2      ILE  34  70.942   2.820  -4.445
  235   3HG2  ILE  34          3HG2      ILE  34  71.067   4.578  -4.493
  236   1HD1  ILE  34          1HD1      ILE  34  70.819   5.237  -7.317
  237   2HD1  ILE  34          2HD1      ILE  34  72.057   4.162  -6.668
  238   3HD1  ILE  34          3HD1      ILE  34  71.524   3.986  -8.339
  239    H    ASP  35           H        ASP  35  68.266   0.735  -6.630
  240    HA   ASP  35           HA       ASP  35  68.552  -0.994  -4.281
  241   1HB   ASP  35          1HB       ASP  35  67.268  -1.603  -6.394
  242   2HB   ASP  35          2HB       ASP  35  68.833  -1.781  -7.199
  243    H    LEU  36           H        LEU  36  70.549  -1.266  -3.328
  244    HA   LEU  36           HA       LEU  36  73.005  -0.634  -4.817
  245   1HB   LEU  36          1HB       LEU  36  72.758  -1.923  -2.082
  246   2HB   LEU  36          2HB       LEU  36  74.184  -1.155  -2.769
  247    HG   LEU  36           HG       LEU  36  71.628   0.409  -2.348
  248   1HD1  LEU  36          1HD1      LEU  36  73.881  -0.207  -0.413
  249   2HD1  LEU  36          2HD1      LEU  36  72.855   1.212  -0.235
  250   3HD1  LEU  36          3HD1      LEU  36  72.148  -0.401  -0.147
  251   1HD2  LEU  36          1HD2      LEU  36  73.410   1.357  -3.812
  252   2HD2  LEU  36          2HD2      LEU  36  73.180   2.299  -2.345
  253   3HD2  LEU  36          3HD2      LEU  36  74.553   1.203  -2.480
  254    H    ASN  37           H        ASN  37  70.995  -3.284  -4.726
  255    HA   ASN  37           HA       ASN  37  72.778  -5.445  -4.445
  256   1HB   ASN  37          1HB       ASN  37  70.310  -5.689  -4.582
  257   2HB   ASN  37          2HB       ASN  37  70.371  -5.244  -6.290
  258   1HD2  ASN  37          1HD2      ASN  37  70.914  -9.057  -5.340
  259   2HD2  ASN  37          2HD2      ASN  37  70.152  -7.908  -4.352
  260    H    SER  38           H        SER  38  72.057  -3.435  -7.297
  261    HA   SER  38           HA       SER  38  73.581  -5.048  -9.129
  262   1HB   SER  38          1HB       SER  38  73.262  -3.210 -10.674
  263   2HB   SER  38          2HB       SER  38  71.765  -3.482  -9.787
  264    HG   SER  38           HG       SER  38  73.334  -1.794  -8.425
  265    H    VAL  39           H        VAL  39  74.839  -3.343  -6.553
  266    HA   VAL  39           HA       VAL  39  77.375  -2.886  -8.075
  267    HB   VAL  39           HB       VAL  39  77.731  -0.804  -6.598
  268   1HG1  VAL  39          1HG1      VAL  39  77.192  -0.855  -9.087
  269   2HG1  VAL  39          2HG1      VAL  39  75.508  -0.585  -8.642
  270   3HG1  VAL  39          3HG1      VAL  39  76.731   0.618  -8.238
  271   1HG2  VAL  39          1HG2      VAL  39  74.854  -1.428  -6.018
  272   2HG2  VAL  39          2HG2      VAL  39  76.062  -0.674  -4.991
  273   3HG2  VAL  39          3HG2      VAL  39  75.270   0.259  -6.257
  274    H    ILE  40           H        ILE  40  75.995  -4.387  -5.392
  275    HA   ILE  40           HA       ILE  40  78.668  -4.437  -3.986
  276    HB   ILE  40           HB       ILE  40  75.928  -5.003  -2.832
  277   1HG1  ILE  40          1HG1      ILE  40  77.807  -2.689  -2.254
  278   2HG1  ILE  40          2HG1      ILE  40  76.475  -2.596  -3.403
  279   1HG2  ILE  40          1HG2      ILE  40  78.494  -5.880  -1.919
  280   2HG2  ILE  40          2HG2      ILE  40  78.072  -4.523  -0.897
  281   3HG2  ILE  40          3HG2      ILE  40  76.987  -5.901  -1.010
  282   1HD1  ILE  40          1HD1      ILE  40  76.106  -3.421  -0.511
  283   2HD1  ILE  40          2HD1      ILE  40  75.900  -1.768  -1.082
  284   3HD1  ILE  40          3HD1      ILE  40  74.848  -3.053  -1.681
  285    H    GLU  41           H        GLU  41  79.741  -6.285  -3.795
  286    HA   GLU  41           HA       GLU  41  78.384  -8.869  -4.521
  287   1HB   GLU  41          1HB       GLU  41  80.017  -8.277  -6.252
  288   2HB   GLU  41          2HB       GLU  41  81.251  -7.999  -5.040
  289   1HG   GLU  41          1HG       GLU  41  81.353 -10.312  -4.482
  290   2HG   GLU  41          2HG       GLU  41  79.877 -10.673  -5.368
  291    H    ASN  42           H        ASN  42  79.242 -10.760  -3.312
  292    HA   ASN  42           HA       ASN  42  80.445 -10.072  -0.660
  293   1HB   ASN  42          1HB       ASN  42  78.286 -11.308  -0.631
  294   2HB   ASN  42          2HB       ASN  42  79.022 -12.591  -1.595
  295   1HD2  ASN  42          1HD2      ASN  42  79.504 -13.921   1.741
  296   2HD2  ASN  42          2HD2      ASN  42  78.355 -13.863   0.492
  297    H    VAL  43           H        VAL  43  82.652 -10.426  -0.618
  298    HA   VAL  43           HA       VAL  43  83.778 -12.541  -2.444
  299    HB   VAL  43           HB       VAL  43  85.080 -10.076  -1.263
  300   1HG1  VAL  43          1HG1      VAL  43  86.161 -12.385  -2.888
  301   2HG1  VAL  43          2HG1      VAL  43  86.966 -10.817  -2.831
  302   3HG1  VAL  43          3HG1      VAL  43  86.766 -11.759  -1.354
  303   1HG2  VAL  43          1HG2      VAL  43  84.338 -10.880  -4.096
  304   2HG2  VAL  43          2HG2      VAL  43  83.570  -9.608  -3.146
  305   3HG2  VAL  43          3HG2      VAL  43  85.246  -9.431  -3.667
  306    H    ASP  44           H        ASP  44  83.692 -14.294  -1.150
  307    HA   ASP  44           HA       ASP  44  84.201 -15.754   0.570
  308   1HB   ASP  44          1HB       ASP  44  86.413 -15.261  -0.565
  309   2HB   ASP  44          2HB       ASP  44  86.748 -14.120   0.738
  310    H    GLY  45           H        GLY  45  82.645 -13.567   1.551
  311   1HA   GLY  45          1HA       GLY  45  82.058 -13.533   4.003
  312   2HA   GLY  45          2HA       GLY  45  83.776 -13.346   4.332
  313    H    SER  46           H        SER  46  83.752 -11.255   1.937
  314    HA   SER  46           HA       SER  46  82.768  -9.019   3.697
  315   1HB   SER  46          1HB       SER  46  85.280  -9.335   3.420
  316   2HB   SER  46          2HB       SER  46  85.061  -8.834   1.745
  317    HG   SER  46           HG       SER  46  85.403  -6.967   2.790
  318    H    LEU  47           H        LEU  47  81.692  -7.323   2.775
  319    HA   LEU  47           HA       LEU  47  80.517  -7.678   0.105
  320   1HB   LEU  47          1HB       LEU  47  80.286  -5.395   2.089
  321   2HB   LEU  47          2HB       LEU  47  79.289  -5.626   0.660
  322    HG   LEU  47           HG       LEU  47  79.448  -7.518   3.022
  323   1HD1  LEU  47          1HD1      LEU  47  78.174  -5.187   3.127
  324   2HD1  LEU  47          2HD1      LEU  47  76.962  -6.043   2.175
  325   3HD1  LEU  47          3HD1      LEU  47  77.418  -6.645   3.768
  326   1HD2  LEU  47          1HD2      LEU  47  78.099  -7.671   0.326
  327   2HD2  LEU  47          2HD2      LEU  47  78.922  -8.939   1.236
  328   3HD2  LEU  47          3HD2      LEU  47  77.313  -8.413   1.718
  329    H    LYS  48           H        LYS  48  81.272  -6.801  -1.732
  330    HA   LYS  48           HA       LYS  48  83.316  -4.601  -1.546
  331   1HB   LYS  48          1HB       LYS  48  83.238  -6.968  -3.435
  332   2HB   LYS  48          2HB       LYS  48  84.337  -5.600  -3.610
  333   1HG   LYS  48          1HG       LYS  48  84.485  -6.568  -0.873
  334   2HG   LYS  48          2HG       LYS  48  84.689  -7.925  -1.965
  335   1HD   LYS  48          1HD       LYS  48  86.445  -6.605  -3.177
  336   2HD   LYS  48          2HD       LYS  48  86.304  -5.370  -1.925
  337   1HE   LYS  48          1HE       LYS  48  86.734  -7.260  -0.239
  338   2HE   LYS  48          2HE       LYS  48  87.232  -8.228  -1.627
  339   1HZ   LYS  48          1HZ       LYS  48  88.729  -6.252  -2.170
  340   2HZ   LYS  48          2HZ       LYS  48  88.446  -5.754  -0.573
  341   3HZ   LYS  48          3HZ       LYS  48  89.182  -7.254  -0.874
  342    H    TRP  49           H        TRP  49  83.425  -3.240  -3.517
  343    HA   TRP  49           HA       TRP  49  80.745  -2.506  -4.402
  344   1HB   TRP  49          1HB       TRP  49  83.524  -1.470  -5.013
  345   2HB   TRP  49          2HB       TRP  49  82.112  -0.848  -5.867
  346    HD1  TRP  49           HD1      TRP  49  84.071  -0.313  -2.808
  347    HE1  TRP  49           HE1      TRP  49  82.784   1.184  -1.147
  348    HE3  TRP  49           HE3      TRP  49  79.425  -0.442  -4.938
  349    HZ2  TRP  49           HZ2      TRP  49  80.133   2.211  -0.795
  350    HZ3  TRP  49           HZ3      TRP  49  77.531   0.797  -3.909
  351    HH2  TRP  49           HH2      TRP  49  77.882   2.105  -1.825
  352    H    GLN  50           H        GLN  50  80.191  -4.582  -5.570
  353    HA   GLN  50           HA       GLN  50  80.732  -4.326  -8.417
  354   1HB   GLN  50          1HB       GLN  50  82.767  -5.541  -7.380
  355   2HB   GLN  50          2HB       GLN  50  81.672  -6.891  -7.112
  356   1HG   GLN  50          1HG       GLN  50  81.225  -7.068  -9.490
  357   2HG   GLN  50          2HG       GLN  50  82.169  -5.608  -9.810
  358   1HE2  GLN  50          1HE2      GLN  50  84.473  -8.670  -8.364
  359   2HE2  GLN  50          2HE2      GLN  50  83.086  -8.187  -7.513
  360    HA   PRO  51           HA       PRO  51  76.632  -6.182  -8.096
  361   1HB   PRO  51          1HB       PRO  51  76.336  -7.138 -10.698
  362   2HB   PRO  51          2HB       PRO  51  76.060  -5.464 -10.209
  363   1HG   PRO  51          1HG       PRO  51  78.448  -6.679 -11.506
  364   2HG   PRO  51          2HG       PRO  51  77.694  -5.100 -11.789
  365   1HD   PRO  51          1HD       PRO  51  79.962  -5.359 -10.341
  366   2HD   PRO  51          2HD       PRO  51  78.757  -4.111  -9.966
  367    H    SER  52           H        SER  52  75.745  -8.223  -7.662
  368    HA   SER  52           HA       SER  52  76.470 -10.700  -8.764
  369   1HB   SER  52          1HB       SER  52  78.523  -9.774  -7.031
  370   2HB   SER  52          2HB       SER  52  77.739 -11.095  -6.195
  371    HG   SER  52           HG       SER  52  78.169 -12.410  -7.896
  372    H    ASN  53           H        ASN  53  74.485  -8.906  -7.057
  373    HA   ASN  53           HA       ASN  53  72.643  -9.356  -5.691
  374   1HB   ASN  53          1HB       ASN  53  72.438 -11.184  -7.496
  375   2HB   ASN  53          2HB       ASN  53  73.104 -12.280  -6.286
  376   1HD2  ASN  53          1HD2      ASN  53  69.455 -12.503  -5.834
  377   2HD2  ASN  53          2HD2      ASN  53  70.608 -12.990  -6.981
  378    H    PHE  54           H        PHE  54  74.627  -8.812  -4.132
  379    HA   PHE  54           HA       PHE  54  75.759 -10.843  -2.502
  380   1HB   PHE  54          1HB       PHE  54  76.509  -9.113  -1.094
  381   2HB   PHE  54          2HB       PHE  54  76.364  -8.332  -2.666
  382    HD1  PHE  54           HD1      PHE  54  74.451  -6.789  -3.144
  383    HD2  PHE  54           HD2      PHE  54  75.032  -8.564   0.741
  384    HE1  PHE  54           HE1      PHE  54  72.879  -5.127  -2.145
  385    HE2  PHE  54           HE2      PHE  54  73.461  -6.912   1.732
  386    HZ   PHE  54           HZ       PHE  54  72.385  -5.194   0.290
  387    H    ILE  55           H        ILE  55  72.721  -9.035  -2.092
  388    HA   ILE  55           HA       ILE  55  72.125  -9.923   0.512
  389    HB   ILE  55           HB       ILE  55  70.855  -8.155  -0.405
  390   1HG1  ILE  55          1HG1      ILE  55  68.532  -8.885  -0.053
  391   2HG1  ILE  55          2HG1      ILE  55  69.029 -10.570  -0.179
  392   1HG2  ILE  55          1HG2      ILE  55  70.142 -10.084  -2.603
  393   2HG2  ILE  55          2HG2      ILE  55  69.207  -8.618  -2.301
  394   3HG2  ILE  55          3HG2      ILE  55  70.913  -8.503  -2.733
  395   1HD1  ILE  55          1HD1      ILE  55  70.278  -8.692   1.832
  396   2HD1  ILE  55          2HD1      ILE  55  68.805  -9.591   2.191
  397   3HD1  ILE  55          3HD1      ILE  55  70.293 -10.452   1.825
  398    H    GLU  56           H        GLU  56  72.094 -11.689  -2.458
  399    HA   GLU  56           HA       GLU  56  70.230 -13.749  -1.722
  400   1HB   GLU  56          1HB       GLU  56  71.147 -13.447  -4.036
  401   2HB   GLU  56          2HB       GLU  56  72.705 -14.040  -3.455
  402   1HG   GLU  56          1HG       GLU  56  71.777 -16.188  -2.903
  403   2HG   GLU  56          2HG       GLU  56  70.133 -15.612  -3.187
  404    H    THR  57           H        THR  57  73.621 -13.175  -0.909
  405    HA   THR  57           HA       THR  57  73.533 -15.690   0.755
  406    HB   THR  57           HB       THR  57  75.963 -15.845   0.544
  407    HG1  THR  57           HG1      THR  57  75.684 -13.446  -0.934
  408   1HG2  THR  57          1HG2      THR  57  74.226 -15.763  -1.862
  409   2HG2  THR  57          2HG2      THR  57  75.949 -15.608  -2.196
  410   3HG2  THR  57          3HG2      THR  57  75.344 -17.015  -1.325
  411    H    CYS  58           H        CYS  58  72.862 -12.705   1.333
  412    HA   CYS  58           HA       CYS  58  74.396 -12.624   3.905
  413   1HB   CYS  58          1HB       CYS  58  73.826 -10.280   2.072
  414   2HB   CYS  58          2HB       CYS  58  74.542 -10.167   3.680
  415    H    ARG  59           H        ARG  59  73.261 -11.570   5.625
  416    HA   ARG  59           HA       ARG  59  70.347 -11.074   5.150
  417   1HB   ARG  59          1HB       ARG  59  69.787 -12.467   7.096
  418   2HB   ARG  59          2HB       ARG  59  70.608 -13.423   5.860
  419   1HG   ARG  59          1HG       ARG  59  72.775 -12.982   7.106
  420   2HG   ARG  59          2HG       ARG  59  71.800 -12.285   8.401
  421   1HD   ARG  59          1HD       ARG  59  70.552 -14.419   8.596
  422   2HD   ARG  59          2HD       ARG  59  71.566 -15.112   7.333
  423    HE   ARG  59           HE       ARG  59  73.385 -14.219   9.222
  424   1HH1  ARG  59          1HH1      ARG  59  70.579 -16.221   9.194
  425   2HH1  ARG  59          2HH1      ARG  59  71.115 -17.220  10.503
  426   1HH2  ARG  59          1HH2      ARG  59  74.101 -15.510  10.935
  427   2HH2  ARG  59          2HH2      ARG  59  73.108 -16.817  11.489
  428    H    ASN  60           H        ASN  60  69.390 -10.372   7.410
  429    HA   ASN  60           HA       ASN  60  69.288  -8.545   8.887
  430   1HB   ASN  60          1HB       ASN  60  70.603 -10.334  10.110
  431   2HB   ASN  60          2HB       ASN  60  72.072  -9.507   9.596
  432   1HD2  ASN  60          1HD2      ASN  60  71.494  -8.009  12.857
  433   2HD2  ASN  60          2HD2      ASN  60  72.164  -9.405  12.161
  434    H    THR  61           H        THR  61  69.902  -7.483   6.437
  435    HA   THR  61           HA       THR  61  72.343  -5.875   6.593
  436    HB   THR  61           HB       THR  61  71.336  -4.625   4.677
  437    HG1  THR  61           HG1      THR  61  69.272  -6.520   4.652
  438   1HG2  THR  61          1HG2      THR  61  71.611  -7.612   4.621
  439   2HG2  THR  61          2HG2      THR  61  71.016  -6.781   3.184
  440   3HG2  THR  61          3HG2      THR  61  72.602  -6.378   3.841
  441    H    GLN  62           H        GLN  62  72.505  -3.884   7.637
  442    HA   GLN  62           HA       GLN  62  69.998  -2.417   8.258
  443   1HB   GLN  62          1HB       GLN  62  70.793  -4.181  10.084
  444   2HB   GLN  62          2HB       GLN  62  71.911  -2.906  10.535
  445   1HG   GLN  62          1HG       GLN  62  70.206  -1.473  11.230
  446   2HG   GLN  62          2HG       GLN  62  68.987  -2.253  10.228
  447   1HE2  GLN  62          1HE2      GLN  62  69.720  -3.687  13.966
  448   2HE2  GLN  62          2HE2      GLN  62  70.672  -2.436  13.326
  449    H    LEU  63           H        LEU  63  70.470  -0.216   9.165
  450    HA   LEU  63           HA       LEU  63  72.839   0.914   7.847
  451   1HB   LEU  63          1HB       LEU  63  70.676   2.074   7.611
  452   2HB   LEU  63          2HB       LEU  63  70.540   2.210   9.359
  453    HG   LEU  63           HG       LEU  63  72.761   3.557   9.237
  454   1HD1  LEU  63          1HD1      LEU  63  72.946   2.816   6.678
  455   2HD1  LEU  63          2HD1      LEU  63  71.936   4.229   6.424
  456   3HD1  LEU  63          3HD1      LEU  63  73.509   4.396   7.201
  457   1HD2  LEU  63          1HD2      LEU  63  70.512   4.519   9.704
  458   2HD2  LEU  63          2HD2      LEU  63  71.538   5.625   8.793
  459   3HD2  LEU  63          3HD2      LEU  63  70.262   4.726   7.971
  460    H    ALA  64           H        ALA  64  74.687   1.374   8.876
  461    HA   ALA  64           HA       ALA  64  74.710   1.431  11.883
  462   1HB   ALA  64          1HB       ALA  64  75.871  -0.525  10.612
  463   2HB   ALA  64          2HB       ALA  64  77.077   0.676  10.153
  464   3HB   ALA  64          3HB       ALA  64  76.795   0.312  11.856
  465    H    GLY  65           H        GLY  65  75.471   3.304  12.750
  466   1HA   GLY  65          1HA       GLY  65  76.564   5.368  12.922
  467   2HA   GLY  65          2HA       GLY  65  77.615   4.828  11.612
  468    H    SER  66           H        SER  66  77.570   6.868  10.604
  469    HA   SER  66           HA       SER  66  74.988   8.024   9.741
  470   1HB   SER  66          1HB       SER  66  77.597   9.145   8.806
  471   2HB   SER  66          2HB       SER  66  76.168   9.976   9.415
  472    HG   SER  66           HG       SER  66  76.753   9.406  11.482
  473    H    SER  67           H        SER  67  77.860   6.508   8.240
  474    HA   SER  67           HA       SER  67  76.271   6.301   5.693
  475   1HB   SER  67          1HB       SER  67  78.303   6.760   4.451
  476   2HB   SER  67          2HB       SER  67  77.952   8.083   5.560
  477    HG   SER  67           HG       SER  67  79.889   6.034   5.758
  478    H    GLU  68           H        GLU  68  77.540   4.353   8.058
  479    HA   GLU  68           HA       GLU  68  78.841   2.449   6.175
  480   1HB   GLU  68          1HB       GLU  68  78.673   2.537   9.192
  481   2HB   GLU  68          2HB       GLU  68  79.438   1.232   8.283
  482   1HG   GLU  68          1HG       GLU  68  80.954   2.872   7.213
  483   2HG   GLU  68          2HG       GLU  68  80.203   4.165   8.151
  484    H    LEU  69           H        LEU  69  78.031   0.487   5.701
  485    HA   LEU  69           HA       LEU  69  75.299  -0.208   6.717
  486   1HB   LEU  69          1HB       LEU  69  75.116   0.061   4.378
  487   2HB   LEU  69          2HB       LEU  69  76.710  -0.617   4.078
  488    HG   LEU  69           HG       LEU  69  75.957  -2.832   4.522
  489   1HD1  LEU  69          1HD1      LEU  69  73.574  -1.429   5.717
  490   2HD1  LEU  69          2HD1      LEU  69  73.289  -2.995   4.961
  491   3HD1  LEU  69          3HD1      LEU  69  74.421  -2.858   6.293
  492   1HD2  LEU  69          1HD2      LEU  69  73.910  -1.332   2.864
  493   2HD2  LEU  69          2HD2      LEU  69  75.456  -1.965   2.298
  494   3HD2  LEU  69          3HD2      LEU  69  74.181  -3.074   2.799
  495    H    ALA  70           H        ALA  70  75.309  -1.838   8.149
  496    HA   ALA  70           HA       ALA  70  77.621  -3.725   8.179
  497   1HB   ALA  70          1HB       ALA  70  75.620  -2.819  10.261
  498   2HB   ALA  70          2HB       ALA  70  76.626  -4.244  10.513
  499   3HB   ALA  70          3HB       ALA  70  77.377  -2.662  10.299
  500    H    ALA  71           H        ALA  71  77.253  -5.912   7.970
  501    HA   ALA  71           HA       ALA  71  74.520  -7.013   8.010
  502   1HB   ALA  71          1HB       ALA  71  75.170  -6.064   5.611
  503   2HB   ALA  71          2HB       ALA  71  76.095  -7.559   5.495
  504   3HB   ALA  71          3HB       ALA  71  74.350  -7.615   5.764
  505    H    GLU  72           H        GLU  72  74.741  -9.456   7.368
  506    HA   GLU  72           HA       GLU  72  77.344 -10.551   8.361
  507   1HB   GLU  72          1HB       GLU  72  74.532 -11.699   8.661
  508   2HB   GLU  72          2HB       GLU  72  76.013 -12.489   9.201
  509   1HG   GLU  72          1HG       GLU  72  76.461 -10.684  10.772
  510   2HG   GLU  72          2HG       GLU  72  75.074  -9.776  10.173
  511    H    CYS  73           H        CYS  73  78.317 -11.955   6.839
  512    HA   CYS  73           HA       CYS  73  76.591 -12.870   4.558
  513   1HB   CYS  73          1HB       CYS  73  79.277 -11.513   4.427
  514   2HB   CYS  73          2HB       CYS  73  78.605 -12.434   3.081
  515    H    LYS  74           H        LYS  74  77.128 -14.795   3.600
  516    HA   LYS  74           HA       LYS  74  78.470 -16.717   5.295
  517   1HB   LYS  74          1HB       LYS  74  77.370 -16.934   2.484
  518   2HB   LYS  74          2HB       LYS  74  78.050 -18.290   3.382
  519   1HG   LYS  74          1HG       LYS  74  76.430 -17.852   5.196
  520   2HG   LYS  74          2HG       LYS  74  75.688 -16.595   4.218
  521   1HD   LYS  74          1HD       LYS  74  74.334 -18.463   3.763
  522   2HD   LYS  74          2HD       LYS  74  75.462 -18.465   2.410
  523   1HE   LYS  74          1HE       LYS  74  76.745 -20.240   3.342
  524   2HE   LYS  74          2HE       LYS  74  76.001 -20.055   4.932
  525   1HZ   LYS  74          1HZ       LYS  74  73.861 -20.671   3.861
  526   2HZ   LYS  74          2HZ       LYS  74  74.725 -21.056   2.450
  527   3HZ   LYS  74          3HZ       LYS  74  75.015 -21.917   3.882
  528    H    THR  75           H        THR  75  80.441 -17.446   5.243
  529    HA   THR  75           HA       THR  75  82.384 -16.383   3.250
  530    HB   THR  75           HB       THR  75  84.104 -17.179   4.700
  531    HG1  THR  75           HG1      THR  75  82.072 -18.860   5.554
  532   1HG2  THR  75          1HG2      THR  75  81.765 -16.085   6.262
  533   2HG2  THR  75          2HG2      THR  75  83.328 -16.392   7.012
  534   3HG2  THR  75          3HG2      THR  75  83.196 -15.228   5.696
  535    H    ARG  76           H        ARG  76  84.013 -18.180   2.495
  536    HA   ARG  76           HA       ARG  76  82.526 -20.070   0.975
  537   1HB   ARG  76          1HB       ARG  76  85.456 -20.047   1.754
  538   2HB   ARG  76          2HB       ARG  76  84.750 -21.239   0.660
  539   1HG   ARG  76          1HG       ARG  76  83.860 -19.247  -0.700
  540   2HG   ARG  76          2HG       ARG  76  84.922 -18.238   0.276
  541   1HD   ARG  76          1HD       ARG  76  86.247 -20.609  -0.943
  542   2HD   ARG  76          2HD       ARG  76  85.678 -19.403  -2.085
  543    HE   ARG  76           HE       ARG  76  87.017 -17.984  -0.061
  544   1HH1  ARG  76          1HH1      ARG  76  87.635 -20.465  -2.364
  545   2HH1  ARG  76          2HH1      ARG  76  89.320 -20.100  -2.524
  546   1HH2  ARG  76          1HH2      ARG  76  89.217 -17.483  -0.252
  547   2HH2  ARG  76          2HH2      ARG  76  90.220 -18.404  -1.322
  548    H    ALA  77           H        ALA  77  83.612 -20.209   4.314
  549    HA   ALA  77           HA       ALA  77  83.345 -23.112   4.325
  550   1HB   ALA  77          1HB       ALA  77  84.409 -21.098   6.144
  551   2HB   ALA  77          2HB       ALA  77  83.387 -22.226   7.032
  552   3HB   ALA  77          3HB       ALA  77  84.758 -22.824   6.099
  553    H    GLN  78           H        GLN  78  80.989 -20.932   3.952
  554    HA   GLN  78           HA       GLN  78  78.729 -20.966   4.267
  555   1HB   GLN  78          1HB       GLN  78  79.189 -23.709   5.458
  556   2HB   GLN  78          2HB       GLN  78  77.625 -23.022   5.045
  557   1HG   GLN  78          1HG       GLN  78  79.890 -23.417   3.071
  558   2HG   GLN  78          2HG       GLN  78  78.521 -24.513   3.256
  559   1HE2  GLN  78          1HE2      GLN  78  78.072 -21.420   0.822
  560   2HE2  GLN  78          2HE2      GLN  78  79.560 -22.097   1.281
  561    H    GLN  79           H        GLN  79  80.417 -19.747   6.260
  562    HA   GLN  79           HA       GLN  79  78.657 -20.042   8.685
  563   1HB   GLN  79          1HB       GLN  79  81.494 -20.303   8.449
  564   2HB   GLN  79          2HB       GLN  79  81.218 -18.776   9.278
  565   1HG   GLN  79          1HG       GLN  79  79.882 -19.877  10.975
  566   2HG   GLN  79          2HG       GLN  79  79.955 -21.405  10.096
  567   1HE2  GLN  79          1HE2      GLN  79  82.646 -21.158  12.797
  568   2HE2  GLN  79          2HE2      GLN  79  80.991 -20.786  12.850
  569    H    PHE  80           H        PHE  80  77.791 -18.099   9.531
  570    HA   PHE  80           HA       PHE  80  77.991 -15.772   7.735
  571   1HB   PHE  80          1HB       PHE  80  76.293 -16.418  10.163
  572   2HB   PHE  80          2HB       PHE  80  76.353 -14.774   9.542
  573    HD1  PHE  80           HD1      PHE  80  75.824 -14.428   7.027
  574    HD2  PHE  80           HD2      PHE  80  74.804 -17.992   9.225
  575    HE1  PHE  80           HE1      PHE  80  74.083 -14.969   5.337
  576    HE2  PHE  80           HE2      PHE  80  73.057 -18.532   7.537
  577    HZ   PHE  80           HZ       PHE  80  72.696 -17.021   5.594
  578    H    VAL  81           H        VAL  81  79.464 -14.109   8.157
  579    HA   VAL  81           HA       VAL  81  80.382 -13.732  10.994
  580    HB   VAL  81           HB       VAL  81  82.623 -13.395  10.322
  581   1HG1  VAL  81          1HG1      VAL  81  81.797 -15.761  10.207
  582   2HG1  VAL  81          2HG1      VAL  81  81.523 -15.539   8.480
  583   3HG1  VAL  81          3HG1      VAL  81  83.158 -15.449   9.132
  584   1HG2  VAL  81          1HG2      VAL  81  81.603 -13.360   7.457
  585   2HG2  VAL  81          2HG2      VAL  81  82.309 -11.996   8.325
  586   3HG2  VAL  81          3HG2      VAL  81  83.306 -13.390   7.912
  587    H    SER  82           H        SER  82  81.116 -11.446  11.431
  588    HA   SER  82           HA       SER  82  79.173  -9.601  10.375
  589   1HB   SER  82          1HB       SER  82  80.139  -9.516  12.695
  590   2HB   SER  82          2HB       SER  82  81.654  -8.955  11.989
  591    HG   SER  82           HG       SER  82  80.777  -7.053  12.014
  592    H    THR  83           H        THR  83  79.328  -8.238   8.679
  593    HA   THR  83           HA       THR  83  82.026  -7.557   7.580
  594    HB   THR  83           HB       THR  83  81.127  -9.376   6.191
  595    HG1  THR  83           HG1      THR  83  81.269  -6.763   5.217
  596   1HG2  THR  83          1HG2      THR  83  78.726  -7.549   5.897
  597   2HG2  THR  83          2HG2      THR  83  79.032  -8.965   4.903
  598   3HG2  THR  83          3HG2      THR  83  78.759  -9.154   6.629
  599    H    LYS  84           H        LYS  84  82.003  -5.561   6.320
  600    HA   LYS  84           HA       LYS  84  79.584  -3.887   6.420
  601   1HB   LYS  84          1HB       LYS  84  80.621  -2.136   7.774
  602   2HB   LYS  84          2HB       LYS  84  80.527  -3.639   8.692
  603   1HG   LYS  84          1HG       LYS  84  82.899  -4.120   7.930
  604   2HG   LYS  84          2HG       LYS  84  82.947  -2.468   7.315
  605   1HD   LYS  84          1HD       LYS  84  82.134  -1.826   9.731
  606   2HD   LYS  84          2HD       LYS  84  82.740  -3.423  10.160
  607   1HE   LYS  84          1HE       LYS  84  84.958  -2.865   9.385
  608   2HE   LYS  84          2HE       LYS  84  84.398  -1.328   8.725
  609   1HZ   LYS  84          1HZ       LYS  84  83.683  -0.765  11.038
  610   2HZ   LYS  84          2HZ       LYS  84  84.545  -2.127  11.579
  611   3HZ   LYS  84          3HZ       LYS  84  85.356  -0.855  10.798
  612    H    ILE  85           H        ILE  85  79.892  -1.869   5.331
  613    HA   ILE  85           HA       ILE  85  82.322  -1.503   3.652
  614    HB   ILE  85           HB       ILE  85  80.762  -3.083   2.457
  615   1HG1  ILE  85          1HG1      ILE  85  81.047  -0.353   1.156
  616   2HG1  ILE  85          2HG1      ILE  85  82.352  -1.531   1.287
  617   1HG2  ILE  85          1HG2      ILE  85  78.703  -1.845   3.432
  618   2HG2  ILE  85          2HG2      ILE  85  78.940  -0.710   2.105
  619   3HG2  ILE  85          3HG2      ILE  85  78.620  -2.409   1.764
  620   1HD1  ILE  85          1HD1      ILE  85  80.619  -3.166   0.147
  621   2HD1  ILE  85          2HD1      ILE  85  79.838  -1.668  -0.362
  622   3HD1  ILE  85          3HD1      ILE  85  81.500  -2.004  -0.842
  623    H    ASN  86           H        ASN  86  82.543   0.604   2.901
  624    HA   ASN  86           HA       ASN  86  80.955   2.606   4.396
  625   1HB   ASN  86          1HB       ASN  86  83.500   2.649   4.113
  626   2HB   ASN  86          2HB       ASN  86  83.204   3.135   2.444
  627   1HD2  ASN  86          1HD2      ASN  86  83.498   6.211   4.601
  628   2HD2  ASN  86          2HD2      ASN  86  84.514   4.881   4.314
  629    H    LEU  87           H        LEU  87  79.046   3.276   3.435
  630    HA   LEU  87           HA       LEU  87  78.487   3.054   0.577
  631   1HB   LEU  87          1HB       LEU  87  77.109   4.852   2.586
  632   2HB   LEU  87          2HB       LEU  87  76.457   4.243   1.067
  633    HG   LEU  87           HG       LEU  87  77.134   2.632   3.531
  634   1HD1  LEU  87          1HD1      LEU  87  74.563   3.470   2.184
  635   2HD1  LEU  87          2HD1      LEU  87  74.616   2.096   3.288
  636   3HD1  LEU  87          3HD1      LEU  87  75.052   3.703   3.860
  637   1HD2  LEU  87          1HD2      LEU  87  76.381   1.820   0.711
  638   2HD2  LEU  87          2HD2      LEU  87  77.685   1.199   1.718
  639   3HD2  LEU  87          3HD2      LEU  87  76.020   0.765   2.077
  640    H    ASP  88           H        ASP  88  80.082   5.469   2.502
  641    HA   ASP  88           HA       ASP  88  79.534   7.673   0.774
  642   1HB   ASP  88          1HB       ASP  88  81.788   7.142   2.722
  643   2HB   ASP  88          2HB       ASP  88  81.618   8.670   1.854
  644    H    ASP  89           H        ASP  89  81.608   4.941   0.231
  645    HA   ASP  89           HA       ASP  89  83.716   6.150  -1.216
  646   1HB   ASP  89          1HB       ASP  89  82.423   3.430  -1.487
  647   2HB   ASP  89          2HB       ASP  89  83.895   3.899  -2.334
  648    H    HIS  90           H        HIS  90  80.506   5.051  -2.427
  649    HA   HIS  90           HA       HIS  90  81.133   6.504  -4.980
  650   1HB   HIS  90          1HB       HIS  90  80.037   3.689  -4.732
  651   2HB   HIS  90          2HB       HIS  90  80.217   4.583  -6.248
  652    HD2  HIS  90           HD2      HIS  90  82.390   2.413  -3.890
  653    HE1  HIS  90           HE1      HIS  90  85.062   4.424  -6.478
  654    HE2  HIS  90           HE2      HIS  90  84.849   2.574  -4.748
  655    H    ILE  91           H        ILE  91  78.830   5.915  -2.518
  656    HA   ILE  91           HA       ILE  91  76.507   6.545  -4.226
  657    HB   ILE  91           HB       ILE  91  76.786   6.301  -1.224
  658   1HG1  ILE  91          1HG1      ILE  91  77.127   4.165  -2.456
  659   2HG1  ILE  91          2HG1      ILE  91  75.650   4.122  -1.504
  660   1HG2  ILE  91          1HG2      ILE  91  74.395   6.860  -2.968
  661   2HG2  ILE  91          2HG2      ILE  91  74.229   6.134  -1.368
  662   3HG2  ILE  91          3HG2      ILE  91  74.962   7.724  -1.558
  663   1HD1  ILE  91          1HD1      ILE  91  74.416   4.811  -3.662
  664   2HD1  ILE  91          2HD1      ILE  91  75.916   4.451  -4.507
  665   3HD1  ILE  91          3HD1      ILE  91  75.084   3.195  -3.623
  666    H    ALA  92           H        ALA  92  76.357   8.566  -4.959
  667    HA   ALA  92           HA       ALA  92  76.985  10.806  -3.031
  668   1HB   ALA  92          1HB       ALA  92  78.361  10.462  -5.301
  669   2HB   ALA  92          2HB       ALA  92  76.995  11.341  -5.983
  670   3HB   ALA  92          3HB       ALA  92  77.963  12.069  -4.699
  671    H    ASN  93           H        ASN  93  75.817  12.848  -3.579
  672    HA   ASN  93           HA       ASN  93  72.966  12.282  -4.334
  673   1HB   ASN  93          1HB       ASN  93  73.206  13.014  -2.004
  674   2HB   ASN  93          2HB       ASN  93  74.161  14.406  -2.513
  675   1HD2  ASN  93          1HD2      ASN  93  71.131  16.227  -2.562
  676   2HD2  ASN  93          2HD2      ASN  93  72.671  16.055  -1.870
  677    H    ILE  94           H        ILE  94  72.695  12.980  -6.445
  678    HA   ILE  94           HA       ILE  94  74.059  15.533  -7.264
  679    HB   ILE  94           HB       ILE  94  73.188  13.105  -8.868
  680   1HG1  ILE  94          1HG1      ILE  94  75.920  14.417  -8.665
  681   2HG1  ILE  94          2HG1      ILE  94  75.408  13.166  -7.543
  682   1HG2  ILE  94          1HG2      ILE  94  73.411  15.854  -9.785
  683   2HG2  ILE  94          2HG2      ILE  94  74.635  14.867 -10.572
  684   3HG2  ILE  94          3HG2      ILE  94  72.935  14.421 -10.691
  685   1HD1  ILE  94          1HD1      ILE  94  75.165  12.619 -10.486
  686   2HD1  ILE  94          2HD1      ILE  94  76.756  12.532  -9.734
  687   3HD1  ILE  94          3HD1      ILE  94  75.455  11.503  -9.160
  688    H    ASP  95           H        ASP  95  72.585  17.062  -6.931
  689    HA   ASP  95           HA       ASP  95  70.670  18.337  -7.177
  690   1HB   ASP  95          1HB       ASP  95  70.982  17.409  -9.569
  691   2HB   ASP  95          2HB       ASP  95  69.655  16.314  -9.175
  692    H    GLY  96           H        GLY  96  70.647  16.147  -5.128
  693   1HA   GLY  96          1HA       GLY  96  68.961  15.641  -3.542
  694   2HA   GLY  96          2HA       GLY  96  67.742  16.208  -4.680
  695    H    THR  97           H        THR  97  69.726  14.165  -6.386
  696    HA   THR  97           HA       THR  97  67.987  11.779  -5.794
  697    HB   THR  97           HB       THR  97  69.103  12.791  -8.426
  698    HG1  THR  97           HG1      THR  97  66.504  12.351  -7.403
  699   1HG2  THR  97          1HG2      THR  97  68.049  10.096  -7.615
  700   2HG2  THR  97          2HG2      THR  97  67.631  10.722  -9.209
  701   3HG2  THR  97          3HG2      THR  97  69.321  10.501  -8.766
  702    H    LEU  98           H        LEU  98  69.065   9.846  -5.423
  703    HA   LEU  98           HA       LEU  98  71.973  10.000  -5.065
  704   1HB   LEU  98          1HB       LEU  98  70.092   7.640  -4.757
  705   2HB   LEU  98          2HB       LEU  98  71.767   7.698  -4.224
  706    HG   LEU  98           HG       LEU  98  69.463   9.365  -3.162
  707   1HD1  LEU  98          1HD1      LEU  98  71.164   7.104  -2.066
  708   2HD1  LEU  98          2HD1      LEU  98  70.152   8.118  -1.037
  709   3HD1  LEU  98          3HD1      LEU  98  69.417   7.130  -2.296
  710   1HD2  LEU  98          1HD2      LEU  98  72.454   9.551  -2.763
  711   2HD2  LEU  98          2HD2      LEU  98  71.290  10.850  -3.017
  712   3HD2  LEU  98          3HD2      LEU  98  71.362  10.024  -1.463
  713    H    LYS  99           H        LYS  99  73.508   9.053  -6.343
  714    HA   LYS  99           HA       LYS  99  72.708   7.188  -8.500
  715   1HB   LYS  99          1HB       LYS  99  73.889   9.911  -8.958
  716   2HB   LYS  99          2HB       LYS  99  74.106   8.618 -10.132
  717   1HG   LYS  99          1HG       LYS  99  71.645   8.368 -10.272
  718   2HG   LYS  99          2HG       LYS  99  71.460   9.676  -9.116
  719   1HD   LYS  99          1HD       LYS  99  72.697  11.185 -10.687
  720   2HD   LYS  99          2HD       LYS  99  72.698   9.874 -11.864
  721   1HE   LYS  99          1HE       LYS  99  70.014   9.998 -11.142
  722   2HE   LYS  99          2HE       LYS  99  70.500  11.693 -11.118
  723   1HZ   LYS  99          1HZ       LYS  99  71.478  10.156 -13.368
  724   2HZ   LYS  99          2HZ       LYS  99  69.795  10.365 -13.317
  725   3HZ   LYS  99          3HZ       LYS  99  70.818  11.722 -13.319
  726    H    TYR 100           H        TYR 100  74.297   5.631  -8.664
  727    HA   TYR 100           HA       TYR 100  76.680   5.689  -7.006
  728   1HB   TYR 100          1HB       TYR 100  75.606   3.580  -7.586
  729   2HB   TYR 100          2HB       TYR 100  75.841   3.896  -9.306
  730    HD1  TYR 100           HD1      TYR 100  78.141   3.930 -10.282
  731    HD2  TYR 100           HD2      TYR 100  77.404   2.753  -6.199
  732    HE1  TYR 100           HE1      TYR 100  80.399   2.893 -10.173
  733    HE2  TYR 100           HE2      TYR 100  79.663   1.713  -6.095
  734    HH   TYR 100           HH       TYR 100  81.857   1.947  -7.261
  735    H    GLU 101           H        GLU 101  78.790   6.234  -7.623
  736    HA   GLU 101           HA       GLU 101  79.379   6.757 -10.486
  737   1HB   GLU 101          1HB       GLU 101  80.299   8.983 -10.017
  738   2HB   GLU 101          2HB       GLU 101  78.594   8.930  -9.576
  739   1HG   GLU 101          1HG       GLU 101  79.228   8.537  -7.210
  740   2HG   GLU 101          2HG       GLU 101  80.931   8.638  -7.658