NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage position program type subtype subsubtype
629470 5y7l cing 1-original 1 XPLOR/CNS distance NOE ambi


# Restraints file 1: hb4_noe.tbl
!S44

!intra
!assign (resid 44 and name HA) (resid 44 and name HB#) 1.8 0.0 1.7

!inter

!assign (resid 44 and name HA) (resid 45 and name HN) 1.8 0.0 3.5

!Q45
assign (resid 45 and name HA) (resid 45 and name HB1) 1.8 0.0 1.7
assign (resid 45 and name HA) (resid 45 and name HB2) 1.8 0.0 1.7

assign (resid 45 and name HA) (resid 45 and name HG#) 1.8 0.0 1.7




! D46

!intra

assign (resid 46 and name HN) (resid 46 and name HA) 1.8 0.0 1.1

assign (resid 46 and name HN) (resid 46 and name HB1) 1.8 0.0 3.2

assign (resid 46 and name HN) (resid 46 and name HB2) 1.8 0.0 3.2

assign (resid 46 and name HB1) (resid 46 and name HA) 1.8 0.0 1.7

assign (resid 46 and name HB2) (resid 46 and name HA) 1.8 0.0 1.7


!inter

assign (resid 46 and name HN) (resid 45 and name HA) 1.8 0.0 1.7

assign (resid 46 and name HN) (resid 45 and name HB1) 1.8 0.0 3.2

assign (resid 46 and name HN) (resid 45 and name HB2) 1.8 0.0 3.2

assign (resid 46 and name HN) (resid 45 and name HG#) 1.8 0.0 3.2

assign (resid 46 and name HN) (resid 48 and name HE2#) 1.8 0.0 5.2

!assign (resid 46 and name HN) (resid 49 and name HB#) 1.8 0.0 6.2

assign (resid 46 and name HN) (resid 71 and name HG2#) 1.8 0.0 3.2

! L47

!intra

assign (resid 47 and name HN) (resid 47 and name HA) 1.8 0.0 1.1

assign (resid 47 and name HN) (resid 47 and name HB1) 1.8 0.0 3.2
assign (resid 47 and name HN) (resid 47 and name HB2) 1.8 0.0 3.2

assign (resid 47 and name HN) (resid 47 and name HD1#) 1.8 0.0 1.7
assign (resid 47 and name HN) (resid 47 and name HD2#) 1.8 0.0 1.7

assign (resid 47 and name HN) (resid 47 and name HG) 1.8 0.0 3.2

assign (resid 47 and name HA) (resid 47 and name HG) 1.8 0.0 1.7

assign (resid 47 and name HD#) (resid 47 and name HA) 1.8 0.0 1.7

assign (resid 47 and name HG) (resid 47 and name HD#) 1.8 0.0 1.7

assign (resid 47 and name HB1) (resid 47 and name HA) 1.8 0.0 3.2
assign (resid 47 and name HB2) (resid 47 and name HA) 1.8 0.0 3.2

assign (resid 47 and name HB1) (resid 47 and name HD#) 1.8 0.0 3.2
assign (resid 47 and name HB2) (resid 47 and name HD#) 1.8 0.0 3.2


!inter

assign (resid 47 and name HN) (resid 46 and name HB1) 1.8 0.0 1.7
assign (resid 47 and name HN) (resid 46 and name HB2) 1.8 0.0 3.2

assign (resid 47 and name HN) (resid 46 and name HA) 1.8 0.0 1.7

assign (resid 47 and name HD#) (resid 46 and name HA) 1.8 0.0 3.2

assign (resid 47 and name HD#) (resid 48 and name HN) 1.8 0.0 3.2    !lan


 




! Q48

!intra

assign (resid 48 and name HN) (resid 48 and name HE21) 1.8 0.0 4.2
assign (resid 48 and name HN) (resid 48 and name HE22) 1.8 0.0 4.2

assign (resid 48 and name HN) (resid 48 and name HG1) 1.8 0.0 3.2
assign (resid 48 and name HN) (resid 48 and name HG2) 1.8 0.0 3.2

assign (resid 48 and name HN) (resid 48 and name HA) 1.8 0.0 1.7

assign (resid 48 and name HN) (resid 48 and name HB1) 1.8 0.0 3.2
assign (resid 48 and name HN) (resid 48 and name HB2) 1.8 0.0 3.2


assign (resid 48 and name HB#) (resid 48 and name HA) 1.8 0.0 1.7


assign (residue 48 and name HG#) (residue 48 and name HA) 1.8 0.0 1.7


!inter

assign (resid 48 and name HN) (resid 47 and name HA) 1.8 0.0 1.7

assign (resid 48 and name HN) (resid 47 and name HB#) 1.8 0.0 3.2


assign (residue 48 and name HG#) (residue 49 and name HN) 1.8 0.0 3.2





! A49

!intra

assign (resid 49 and name HN) (resid 49 and name HA) 1.8 0.0 1.1

assign (resid 49 and name HN) (resid 49 and name HB#) 1.8 0.0 1.7

assign (resid 49 and name HB#) (resid 49 and name HA) 1.8 0.0 1.1


!inter

assign (resid 49 and name HN) (resid 48 and name HA) 1.8 0.0 1.7

assign (resid 49 and name HN) (resid 48 and name HB1) 1.8 0.0 3.2
assign (resid 49 and name HN) (resid 48 and name HB2) 1.8 0.0 3.2

assign (resid 49 and name HN) (resid 50 and name HN) 1.8 0.0 3.2


assign (resid 49 and name HA) (resid 151 and name HA) 1.8 0.0 4.2

assign (resid 49 and name HA) (resid 151 and name HB1) 1.8 0.0 4.2
assign (resid 49 and name HA) (resid 151 and name HB2) 1.8 0.0 4.2


assign (resid 49 and name HB#) (resid 150 and name HD#) 1.8 0.0 5.2

assign (resid 49 and name HB#) (resid 150 and name HE#) 1.8 0.0 6.2

assign (resid 49 and name HB#) (resid 151 and name HA) 1.8 0.0 3.2

assign (resid 49 and name HB#) (resid 151 and name HB1) 1.8 0.0 3.2
assign (resid 49 and name HB#) (resid 151 and name HB2) 1.8 0.0 3.2


assign (resid 49 and name HN) (resid 151 and (name HB1 or name HB2)) 1.8 0.0 4.2  !new



!T50

!intra

assign (resid 50 and name HN) (resid 50 and name HA) 1.8 0.0 1.1

assign (resid 50 and name HN) (resid 50 and name HB) 1.8 0.0 3.2

assign (resid 50 and name HN) (resid 50 and name HG2#) 1.8 0.0 3.2

assign (resid 50 and name HA) (resid 50 and name HB) 1.8 0.0 1.7

assign (resid 50 and name HA) (resid 50 and name HG2#) 1.8 0.0 1.7

assign (resid 50 and name HB) (resid 50 and name HG2#) 1.8 0.0 1.7

!inter

assign (resid 50 and name HN) (resid 49 and name HB#) 1.8 0.0 1.7

assign (resid 50 and name HN) (resid 49 and name HA) 1.8 0.0 1.7

assign (resid 50 and name HN) (resid 49 and name HN) 1.8 0.0 3.2

assign (resid 50 and name HN) (resid 51 and name HN) 1.8 0.0 3.2

assign (resid 50 and name HN) (resid 150 and name HN) 1.8 0.0 3.2    !H-bound

assign (residue 50 and name HN) (residue 151 and (name HB1 or name HB2)) 1.8 0.0 3.2  !lan

assign (residue 50 and name HN) (residue 151 and name HA) 1.8 0.0 3.2    !lan

assign (resid 50 and name HN) (resid 153 and name HD2) 1.8 0.0 3.2



assign (resid 50 and name HA) (resid 149 and name HD#) 1.8 0.0 4.2    !lan

assign (resid 50 and name HA) (resid 150 and name HE#) 1.8 0.0 4.2 !check_lan  

assign (resid 50 and name HA) (resid 150 and name HD#) 1.8 0.0 4.2



assign (resid 50 and name HB) (residue 149 and name HD#) 1.8 0.0 4.5     !lan

assign (resid 50 and name HB) (resid 150 and name HD#) 1.8 0.0 4.2 !check_lan



!E51	

!intra

assign (resid 51 and name HN) (resid 51 and name HA) 1.8 0.0 1.1

assign (resid 51 and name HN) (resid 51 and name HB#) 1.8 0.0 1.7

assign (resid 51 and name HN) (resid 51 and name HG#) 1.8 0.0 3.2

assign (resid 51 and name HA) (resid 51 and name HB#) 1.8 0.0 1.7

assign (resid 51 and name HA) (resid 51 and name HG#) 1.8 0.0 1.7



!inter

!assign (resid 51 and name HN) (resid 50 and name HN) 1.8 0.0 1.7  ! repeated

assign (resid 51 and name HN) (resid 50 and name HA) 1.8 0.0 1.7

assign (resid 51 and name HN) (resid 50 and name HG2#) 1.8 0.0 3.2

assign (resid 51 and name HN) (resid 50 and name HB) 1.8 0.0 3.2

!! assign (resid 51 and name HN) (resid 70 and name HA) 1.8 0.0 4.2

!! assign (resid 51 and name HN) (resid 70 and name HB#) 1.8 0.0 4.2

!! assign (resid 51 and name HN) (resid 70 and name HE#) 1.8 0.0 5.2

assign (resid 51 and name HN) (resid 149 and name HA) 1.8 0.0 4.2  

assign (resid 51 and name HN) (resid 150 and name HN) 1.8 0.0 3.2   

!assign (resid 51 and name HN) (resid 150 and name HE#) 1.8 0.0 3.2 

assign (resid 51 and name HN) (resid 151 and name HB#) 1.8 0.0 4.2




!! assign (resid 51 and name HA) (resid 70 and name HB#) 1.8 0.0 6.2

assign (resid 51 and name HA) (resid 149 and name HA) 1.8 0.0 1.7    !H-bound

assign (resid 51 and name HA) (resid 150 and name HN) 1.8 0.0 1.7     !H-bound

assign (resid 51 and name HA) (resid 150 and name HE#) 1.8 0.0 4.2




assign (resid 51 and name HB#) (resid 149 and name HA) 1.8 0.0 3.2

assign (resid 51 and name HB#) (resid 150 and name HE#) 1.8 0.0 4.4



!A52

!intra

assign (resid 52 and name HN) (resid 52 and name HA) 1.8 0.0 1.1

assign (resid 52 and name HN) (resid 52 and name HB#) 1.8 0.0 1.7

assign (resid 52 and name HB#) (resid 52 and name HA) 1.8 0.0 1.1


!inter

assign (resid 52 and name HN) (resid 50 and name HB) 1.8 0.0 5.2

assign (resid 52 and name HN) (resid 51 and name HN) 1.8 0.0 3.2

assign (resid 52 and name HN) (resid 51 and name HA) 1.8 0.0 1.1

assign (resid 52 and name HN) (resid 51 and name HB#) 1.8 0.0 3.2

assign (resid 52 and name HN) (resid 51 and name HG#) 1.8 0.0 3.2

assign (resid 52 and name HN) (resid 53 and name HN) 1.8 0.0 3.2

!! assign (resid 52 and name HN) (resid 70 and name HB#) 1.8 0.0 8.2

assign (resid 52 and name HN) (resid 71 and name HG2#) 1.8 0.0 9.2

assign (resid 52 and name HN) (resid 147 and name HG2#) 1.8 0.0 5.2    !lan

assign (resid 52 and name HN) (resid 147 and name HB) 1.8 0.0 4.5    !lan

assign (resid 52 and name HN) (resid 148 and name HN) 1.8 0.0 3.2   !H-bond

assign (resid 52 and name HN) (resid 148 and name HA) 1.8 0.0 4.2   !lan

assign (resid 52 and name HN) (resid 148 and name HB#) 1.8 0.0 3.2

assign (resid 52 and name HN) (resid 149 and name HN) 1.8 0.0 3.2  !lan

assign (resid 52 and name HN) (resid 149 and name HA) 1.8 0.0 1.7   !H-bond

assign (resid 52 and name HN) (resid 150 and name HE#) 1.8 0.0 4.2





!!@ assign (resid 52 and name HA) (resid 70 and name HB#) 1.8 0.0 8.2



assign (resid 52 and name HB#) (resid 50 and name HB) 1.8 0.0 4.5

assign (resid 52 and name HB#) (resid 51 and name HA) 1.8 0.0 3.2

assign (resid 52 and name HB#) (resid 51 and name HB#) 1.8 0.0 3.2

assign (resid 52 and name HB#) (resid 51 and name HG#) 1.8 0.0 4.2

assign (resid 52 and name HB#) (resid 69 and name HG2#) 1.8 0.0 8.2

!!@ assign (resid 52 and name HB#) (resid 70 and name HB1) 1.8 0.0 9.2
!!@ assign (resid 52 and name HB#) (resid 70 and name HB2) 1.8 0.0 9.2

assign (resid 52 and name HB#) (resid 147 and name HN) 1.8 0.0 6.5    !lan

assign (resid 52 and name HB#) ((resid 149 or resid 53) and name HA) 1.8 0.0 4.2

!assign (resid 52 and name HB#) (resid 150 and name HD#) 1.8 0.0 4.2    !201606

!assign (resid 52 and name HB#) (resid 150 and name HA) 1.8 0.0 5.2    !201606

!assign (resid 52 and name HB#) (resid 150 and name HB#) 1.8 0.0 5.2   !201606



!N53

!intra

assign (resid 53 and name HN) (resid 53 and name HA) 1.8 0.0 1.1

assign (resid 53 and name HN) (resid 53 and name HB1) 1.8 0.0 3.2
assign (resid 53 and name HN) (resid 53 and name HB2) 1.8 0.0 3.2

assign (resid 53 and name HA) (resid 53 and name HB1) 1.8 0.0 3.2
assign (resid 53 and name HA) (resid 53 and name HB2) 1.8 0.0 3.2

assign (resid 53 and name HD2#) (resid 53 and name HA) 1.8 0.0 3.2

assign (resid 53 and name HD21) (resid 53 and name HB1) 1.8 0.0 3.2
assign (resid 53 and name HD22) (resid 53 and name HB1) 1.8 0.0 3.2
assign (resid 53 and name HD21) (resid 53 and name HB2) 1.8 0.0 3.2
assign (resid 53 and name HD22) (resid 53 and name HB2) 1.8 0.0 3.2

assign (resid 53 and name HD21) (resid 53 and name HN) 1.8 0.0 3.2
assign (resid 53 and name HD22) (resid 53 and name HN) 1.8 0.0 4.2


!inter

assign (resid 53 and name HN) (resid 52 and name HA) 1.8 0.0 1.1

assign (resid 53 and name HN) (resid 52 and name HB#) 1.8 0.0 3.2

assign (resid 53 and name HN) (resid 54 and name HN) 1.8 0.0 3.2

assign (resid 53 and name HN) (resid 69 and name HG2#) 1.8 0.0 8.2

assign (resid 53 and name HN) (resid 93 and name HA) 1.8 0.0 3.2   !H-bond

assign (resid 53 and name HN) (resid 92 and name HN) 1.8 0.0 3.2   !H-bond

assign (resid 53 and name HN) (resid 148 and name HB#) 1.8 0.0 3.5

                                                                                                                                      

assign (resid 53 and name HA) (resid 147 and name HA) 1.8 0.0 1.7   !H-bond

assign (resid 53 and name HA) (resid 148 and name HN) 1.8 0.0 1.7   !H-bond

assign (resid 53 and name HA) (resid 149 and name HB#) 1.8 0.0 4.5  !lan

assign (resid 53 and name HA) (resid 147 and name HG2#) 1.8 0.0 3.2


assign (resid 53 and name HB#) (resid 52 and name HB#) 1.8 0.0 3.2

!! assign (resid 53 and name HB1) (resid 69 and name HB) 1.8 0.0 9.2
!! assign (resid 53 and name HB2) (resid 69 and name HB) 1.8 0.0 9.2

assign (resid 53 and name HB#) (resid 149 and name HA) 1.8 0.0 4.5

!assign (resid 53 and name HB#) (resid 150 and name HE#) 1.8 0.0 7.2   !201606


assign (resid 53 and name HD2#) (resid 49 and name HB#) 1.8 0.0 8.2   !201512

!! assign (resid 53 and name HD2#) (resid 50 and name HA) 1.8 0.0 8.2   !201512

assign (resid 53 and name HD2#) (resid 52 and name HN) 1.8 0.0 4.2   !201512

assign (resid 53 and name HD2#) (resid 160 and name HB2) 1.8 0.0 4.4   !201512
assign (resid 53 and name HD2#) (resid 160 and name HB1) 1.8 0.0 4.2   !201512





!C54

!intra

assign (resid 54 and name HN) (resid 54 and name HA) 1.8 0.0 1.7

assign (resid 54 and name HN) (resid 54 and name HB1) 1.8 0.0 3.2
assign (resid 54 and name HN) (resid 54 and name HB2) 1.8 0.0 3.2

assign (resid 54 and name HA) (resid 54 and name HB1) 1.8 0.0 3.2
assign (resid 54 and name HA) (resid 54 and name HB2) 1.8 0.0 3.2


!inter

assign (resid 54 and name HN) (resid 53 and name HN) 1.8 0.0 3.2

assign (resid 54 and name HN) (resid 53 and name HA) 1.8 0.0 1.1

assign (resid 54 and name HN) (resid 53 and name HB1) 1.8 0.0 3.2
assign (resid 54 and name HN) (resid 53 and name HB2) 1.8 0.0 3.2

assign (resid 54 and name HN) (resid 53 and name HD21) 1.8 0.0 3.2
assign (resid 54 and name HN) (resid 53 and name HD22) 1.8 0.0 4.2

assign (resid 54 and name HN) (resid 55 and name HN) 1.8 0.0 3.2

assign (resid 54 and name HN) (resid 55 and name HG2#) 1.8 0.0 3.2

assign (resid 54 and name HN) (resid 56 and name HN) 1.8 0.0 5.2

assign (resid 54 and name HN) (resid 146 and name HN) 1.8 0.0 3.5   !H-bond

assign (resid 54 and name HN) (resid 146 and name HB#) 1.8 0.0 3.2

assign (resid 54 and name HN) (resid 146 and name HE#) 1.8 0.0 3.2

assign (resid 54 and name HN) (resid 146 and name HZ) 1.8 0.0 4.2

assign (resid 54 and name HN) (resid 147 and name HA) 1.8 0.0 1.7   !H-bond

assign (resid 54 and name HN) (resid 147 and name HB#) 1.8 0.0 3.2

assign (resid 54 and name HN) (resid  148 and name HN) 1.8 0.0 3.2   !lan

assign (resid 54 and name HN) (resid  148 and name HB#) 1.8 0.0 4.2



assign (resid 54 and name HA) (resid 56 and name HG#) 1.8 0.0 4.2

assign (resid 54 and name HA) (resid 92 and name HN) 1.8 0.0 3.2  !H-bond

assign (resid 54 and name HA) (resid 91 and name HA) 1.8 0.0 3.2  !H-bond

assign (resid 54 and name HA) (resid 145 and name HG#) 1.8 0.0 7.2

assign (resid 54 and name HA) (resid 146 and name HD#) 1.8 0.0 4.2

assign (resid 54 and name HA) (resid 146 and name HE#) 1.8 0.0 3.2


assign (resid 54 and name HB#) (resid 55 and name HG#) 1.8 0.0 3.2

assign (resid 54 and name HB#) (resid 146 and name HB#) 1.8 0.0 3.2

assign (resid 54 and name HB#) (resid 146 and name HD#) 1.8 0.0 3.2

assign (resid 54 and name HB1) (resid 146 and name HE#) 1.8 0.0 3.2
assign (resid 54 and name HB2) (resid 146 and name HE#) 1.8 0.0 3.2







!T55

!intra

assign (resid 55 and name HN) (resid 55 and name HA) 1.8 0.0 1.7

assign (resid 55 and name HN) (resid 55 and name HB) 1.8 0.0 3.2

assign (resid 55 and name HN) (resid 55 and name HG2#) 1.8 0.0 3.2

assign (resid 55 and name HB) (resid 55 and name HG2#) 1.8 0.0 1.1

assign (resid 55 and name HB) (resid 55 and name HA) 1.8 0.0 1.7

assign (resid 55 and name HG2#) (resid 55 and name HA) 1.8 0.0 1.7

!inter

assign (resid 55 and name HN) (resid 54 and name HA) 1.8 0.0 1.7

assign (resid 55 and name HN) (resid 54 and name HB1) 1.8 0.0 3.2
assign (resid 55 and name HN) (resid 54 and name HB2) 1.8 0.0 3.2

assign (resid 55 and name HN) (resid 56 and name HN) 1.8 0.0 3.2

assign (resid 55 and name HN) (resid 56 and name HA) 1.8 0.0 3.2

assign (resid 55 and name HN) (resid 56 and name HG2#) 1.8 0.0 4.5

assign (resid 55 and name HN) (resid 57 and name HN) 1.8 0.0 6.2

assign (resid 55 and name HN) (resid 57 and name HD#) 1.8 0.0 5.2

assign (resid 55 and name HN) (resid 89 and name HG1#) 1.8 0.0 4.2   !201512
assign (resid 55 and name HN) (resid 89 and name HG2#) 1.8 0.0 3.2   !201512

assign (resid 55 and name HN) (resid 89 and name HA) 1.8 0.0 3.2   !201512

assign (resid 55 and name HN) (resid 90 and name HD21) 1.8 0.0 4.2   !201512
assign (resid 55 and name HN) (resid 90 and name HD22) 1.8 0.0 4.2   !201512 

assign (resid 55 and name HN) (resid 91 and name HA) 1.8 0.0 3.2  !H-bond

assign (resid 55 and name HN) (resid 90 and name HN) 1.8 0.0 3.2  !H-bond

assign (resid 55 and name HN) (resid 145 and name HB#) 1.8 0.0 5.2

assign (resid 55 and name HN) (resid 145 and name HD#) 1.8 0.0 8.2

assign (resid 55 and name HN) (resid 146 and name HB#) 1.8 0.0 6.2

assign (resid 55 and name HN) (resid 146 and name HD#) 1.8 0.0 4.2

assign (resid 55 and name HN) (resid 146 and name HE#) 1.8 0.0 4.2

assign (resid 55 and name HN) (resid 147 and name HN) 1.8 0.0 6.2




assign (resid 55 and name HA) (resid 56 and name HG#) 1.8 0.0 3.2

assign (resid 55 and name HA) (resid 145 and name HA) 1.8 0.0 1.7   !H-bond

assign (resid 55 and name HA) (resid 146 and name HN) 1.8 0.0 1.7   !H-bond



assign (resid 55 and name HB) (resid 57 and name HD#) 1.8 0.0 5.2

assign (resid 55 and name HB) (resid 145 and name HA) 1.8 0.0 4.2   

assign (resid 55 and name HB) (resid 145 and name HG#) 1.8 0.0 3.2



assign (resid 55 and name HG2#) (resid 145 and name HA) 1.8 0.0 3.2

assign (resid 55 and name HG2#) (resid 145 and name HG#) 1.8 0.0 3.2

assign (resid 55 and name HG2#) (resid 146 and name HD#) 1.8 0.0 3.2

assign (resid 55 and name HG2#) (resid 146 and name HE#) 1.8 0.0 3.2






!V56

!intra

assign (resid 56 and name HN) (resid 56 and name HA) 1.8 0.0 3.2

assign (resid 56 and name HN) (resid 56 and name HB) 1.8 0.0 1.7

assign (resid 56 and name HN) (resid 56 and name HG1#) 1.8 0.0 3.2
assign (resid 56 and name HN) (resid 56 and name HG2#) 1.8 0.0 1.7

assign (resid 56 and name HG1#) (resid 56 and name HA) 1.8 0.0 1.7
assign (resid 56 and name HG2#) (resid 56 and name HA) 1.8 0.0 1.7

assign (resid 56 and name HG1#) (resid 56 and name HB) 1.8 0.0 1.7
assign (resid 56 and name HG2#) (resid 56 and name HB) 1.8 0.0 1.7

assign (resid 56 and name HG1#) (resid 56 and name HG2#) 1.8 0.0 1.7

assign (resid 56 and name HA) (resid 56 and name HB) 1.8 0.0 3.2


!inter

assign (resid 56 and name HN) (resid 55 and name HA) 1.8 0.0 1.1

assign (resid 56 and name HN) (resid 55 and name HB) 1.8 0.0 3.2

assign (resid 56 and name HN) (resid 55 and name HG2#) 1.8 0.0 3.2

assign (resid 56 and name HN) (resid 55 and name HN) 1.8 0.0 3.2

assign (resid 56 and name HN) (resid 57 and name HN) 1.8 0.0 3.2

assign (resid 56 and name HN) (resid  146 and name HN) 1.8 0.0 4.2   !lan

assign (resid 56 and name HN) (resid  147 and name HN) 1.8 0.0 5.2    !lan



assign (resid 56 and name HA) (resid 55 and name HG1) 1.8 0.0 4.5

assign (resid 56 and name HA) (resid 89 and name HA) 1.8 0.0 3.2   !H-bond

assign (resid 56 and name HA) (resid 90 and name HN) 1.8 0.0 3.2   !H-bond

assign (resid 56 and name HA) (resid 146 and name HZ) 1.8 0.0 4.2

assign (resid 56 and name HA) (resid 146 and name HE#) 1.8 0.0 4.2



assign (resid 56 and name HB) (resid 58 and name HA) 1.8 0.0 5.2

assign (resid 56 and name HB) (resid 146 and name HE#) 1.8 0.0 3.2



! assign (resid 56 and name HG1#) (resid 53 and name HD2#) 1.8 0.0 8.2
assign (resid 56 and name HG2#) (resid 53 and name HD2#) 1.8 0.0 8.2

assign (resid 56 and (name HG1# or name HG2#)) (resid 54 and name HA) 1.8 0.0 4.2

assign (resid 56 and (name HG1# or name HG2#)) (resid 55 and name HA) 1.8 0.0 3.2

assign (resid 56 and (name HG1# or name HG2#)) (resid 55 and name HB) 1.8 0.0 4.2

assign (resid 56 and (name HG1# or name HG2#)) (resid 55 and name HG1) 1.8 0.0 4.2

assign (resid 56 and name HG1#) (resid 59 and name HG#) 1.8 0.0 4.2
assign (resid 56 and name HG2#) (resid 59 and name HG#) 1.8 0.0 4.2


assign (resid 56 and (name HG1# or name HG2#)) (resid 59 and name HG#) 1.8 0.0 4.5

assign (resid 56 and (name HG1# or name HG2#)) (resid 137 and name HB#) 1.8 0.0 5.2

assign (resid 56 and (name HG1# or name HG2#)) (resid 141 and name HD1#) 1.8 0.0 4.5

assign (resid 56 and (name HG1# or name HG2#)) (resid 146 and name HD#) 1.8 0.0 4.2

assign (resid 56 and (name HG1# or name HG2#)) (resid 147 and name HB) 1.8 0.0 7.2




!L57

!intra
assign (resid 57 and name HN) (resid 57 and name HB#) 1.8 0.0 1.7

assign (resid 57 and name HN) (resid 57 and name HD#) 1.8 0.0 5.2

assign (resid 57 and name HN) (resid 57 and name HA) 1.8 0.0 3.2

assign (resid 57 and name HN) (resid 57 and name HG) 1.8 0.0 3.2

assign (resid 57 and name HA) (resid 57 and name HD#) 1.8 0.0 5.2

assign (resid 57 and name HA) (resid 57 and name HG) 1.8 0.0 3.2

assign (resid 57 and name HB#) (resid 57 and name HA) 1.8 0.0 3.2

assign (resid 57 and name HB#) (resid 57 and name HD1#) 1.8 0.0 3.2
assign (resid 57 and name HB#) (resid 57 and name HD2#) 1.8 0.0 3.2

assign (resid 57 and name HB#) (resid 57 and name HN) 1.8 0.0 3.2



!inter

assign (resid 57 and name HN) (resid 55 and name HN) 1.8 0.0 5.2

assign (resid 57 and name HN) (resid 56 and name HB) 1.8 0.0 3.2

assign (resid 57 and name HN) (resid 56 and name HG1#) 1.8 0.0 3.2
assign (resid 57 and name HN) (resid 56 and name HG2#) 1.8 0.0 3.2

assign (resid 57 and name HN) (resid 56 and name HA) 1.8 0.0 1.1

!! assign (resid 57 and name HN) (resid 58 and name HN) 1.8 0.0 1.7  ! repeated

assign (resid 57 and name HN) (resid 89 and name HA) 1.8 0.0 3.2  !H-bond

assign (resid 57 and name HN) (resid 145 and name HA) 1.8 0.0 4.2


assign (resid 57 and name HN) (resid 145 and name HG1) 1.8 0.0 3.2
assign (resid 57 and name HN) (resid 145 and name HG2) 1.8 0.0 4.5

assign (resid 57 and name HN) (resid 146 and name HN) 1.8 0.0 4.5




assign (resid 57 and name HB#) (resid 56 and name HN) 1.8 0.0 4.2

assign (resid 57 and name HB#) (resid 56 and name HA) 1.8 0.0 3.2



assign (resid 57 and name HB#) (resid 145 and name HA) 1.8 0.0 4.2

assign (resid 57 and name HB#) (resid 145 and name HG#) 1.8 0.0 3.2



!S58

!intra

assign (resid 58 and name HN) (resid 58 and name HA) 1.8 0.0 1.1

assign (resid 58 and name HN) (resid 58 and name HB1) 1.8 0.0 1.7
assign (resid 58 and name HN) (resid 58 and name HB2) 1.8 0.0 3.2

assign (resid 58 and name HA) (resid 58 and name HB#) 1.8 0.0 3.2


!inter

assign (resid 58 and name HN) (resid 57 and name HA) 1.8 0.0 1.7

assign (resid 58 and name HN) (resid 57 and name HB#) 1.8 0.0 1.7

assign (resid 58 and name HN) (resid 57 and name HD#) 1.8 0.0 3.2

assign (resid 58 and name HN) (resid 57 and name HN) 1.8 0.0 3.2

assign (resid 58 and name HN) (resid 59 and name HN) 1.8 0.0 3.2

assign (resid 58 and name HN) (resid 59 and name HA) 1.8 0.0 3.2

assign (resid 58 and name HN) (resid 59 and name HG#) 1.8 0.0 4.2

assign (resid 58 and name HN) 
       ((resid 56 and name HB) or (resid 60 and name HB#)) 1.8 0.0 4.2

assign (resid 58 and name HN) (resid 60 and name HG#) 1.8 0.0 5.2

assign (resid 58 and name HN) (resid 60 and name HN) 1.8 0.0 5.2

assign (resid 58 and name HN) (resid 88 and name HN) 1.8 0.0 4.2  !H-bond

assign (resid 58 and name HN) (resid 145 and name HA) 1.8 0.0 5.2

assign (resid 58 and name HN) (resid 145 and name HG#) 1.8 0.0 4.2



assign (resid 58 and name HA) (resid 141 and name HD1#) 1.8 0.0 4.2



assign (resid 58 and name HB1) (resid 57 and name HG) 1.8 0.0 5.2
assign (resid 58 and name HB2) (resid 57 and name HG) 1.8 0.0 5.2

assign (resid 58 and name HB1) (resid 57 and name HD#) 1.8 0.0 4.2
assign (resid 58 and name HB2) (resid 57 and name HD#) 1.8 0.0 4.2

assign (resid 58 and name HB1) (resid 145 and name HG#) 1.8 0.0 5.2
assign (resid 58 and name HB2) (resid 145 and name HG#) 1.8 0.0 5.2






!V59

!intra

assign (resid 59 and name HN) (resid 59 and name HA) 1.8 0.0 1.7

assign (resid 59 and name HN) (resid 59 and name HB) 1.8 0.0 3.2

assign (resid 59 and name HN) (resid 59 and name HG1#) 1.8 0.0 3.2
assign (resid 59 and name HN) (resid 59 and name HG2#) 1.8 0.0 3.2

assign (resid 59 and name HB) (resid 59 and name HG#) 1.8 0.0 1.1

assign (resid 59 and name HG#) (resid 59 and name HA) 1.8 0.0 1.7

assign (resid 59 and name HB) (resid 59 and name HA) 1.8 0.0 3.2


!inter

assign (resid 59 and name HN) (resid 57 and name HN) 1.8 0.0 6.2

assign (resid 59 and name HN) (resid 57 and name HG) 1.8 0.0 7.2

assign (resid 59 and name HN) (resid 58 and name HA) 1.8 0.0 1.1

assign (resid 59 and name HN) (resid 58 and name HB1) 1.8 0.0 3.2
assign (resid 59 and name HN) (resid 58 and name HB2) 1.8 0.0 3.2

assign (resid 59 and name HN) (resid 60 and name HG#) 1.8 0.0 3.2

assign (resid 59 and name HN) (resid 60 and name HE2#) 1.8 0.0 3.2

assign (resid 59 and name HN) (resid 141 and name HD1#) 1.8 0.0 5.2



assign (resid 59 and name HA) (resid 88 and name HN) 1.8 0.0 5.2  !H-bond

assign (resid 59 and name HA) (resid 87 and name HA) 1.8 0.0 4.2  !H-bond


assign (resid 59 and name HB#) (resid 58 and name HB#) 1.8 0.0 4.2



assign (resid 59 and name HG#) (resid 58 and name HB#) 1.8 0.0 4.2

assign (resid 59 and name HG#) (resid 60 and name HG#) 1.8 0.0 4.2

assign (resid 59 and name HG#) (resid 143 and name HA) 1.8 0.0 4.5






!Q60

!intra

assign (resid 60 and name HN) (resid 60 and name HA) 1.8 0.0 1.1

assign (resid 60 and name HN) (resid 60 and name HB#) 1.8 0.0 3.2

assign (resid 60 and name HN) (resid 60 and name HG#) 1.8 0.0 3.2

assign (resid 60 and name HB1) (resid 60 and name HA) 1.8 0.0 1.7
assign (resid 60 and name HB2) (resid 60 and name HA) 1.8 0.0 3.2


!inter

assign (resid 60 and name HN) (resid 57 and name HD#) 1.8 0.0 6.2

assign (resid 60 and name HN) (resid 58 and name HB#) 1.8 0.0 4.2

assign (resid 60 and name HN) (resid 59 and name HA) 1.8 0.0 1.1

assign (resid 60 and name HN) (resid 59 and name HG#) 1.8 0.0 1.7

assign (resid 60 and name HN) (resid 59 and name HN) 1.8 0.0 3.2

assign (resid 60 and name HN) (resid 61 and name HA) 1.8 0.0 4.2

assign (resid 60 and name HN) (resid 66 and name HZ) 1.8 0.0 6.2



!! assign (resid 60 and name HB#) (resid 66 and name HD#) 1.8 0.0 7.2

!! assign (resid 60 and name HB#) (resid 66 and name HZ) 1.8 0.0 7.2





!Q61

!intra

assign (resid 61 and name HN) (resid 61 and name HA) 1.8 0.0 1.7

assign (resid 61 and name HN) (resid 61 and name HB1) 1.8 0.0 3.2
assign (resid 61 and name HN) (resid 61 and name HB2) 1.8 0.0 3.2

assign (resid 61 and name HN) (resid 61 and name HG#) 1.8 0.0 3.2

assign (resid 61 and name HN) (resid 61 and name HE21) 1.8 0.0 5.2
assign (resid 61 and name HN) (resid 61 and name HE22) 1.8 0.0 5.2

assign (resid 61 and name HA) (resid 61 and name HB2) 1.8 0.0 1.7
assign (resid 61 and name HA) (resid 61 and name HB1) 1.8 0.0 3.2

assign (resid 61 and name HA) (resid 61 and name HG#) 1.8 0.0 3.2

assign (resid 61 and name HE21) (resid 61 and name HA) 1.8 0.0 3.2
assign (resid 61 and name HE21) (resid 61 and name HA) 1.8 0.0 3.2

assign (resid 61 and name HE21) (resid 61 and name HB1) 1.8 0.0 3.2
assign (resid 61 and name HE21) (resid 61 and name HB2) 1.8 0.0 3.2
assign (resid 61 and name HE22) (resid 61 and name HB1) 1.8 0.0 3.2
assign (resid 61 and name HE22) (resid 61 and name HB2) 1.8 0.0 3.2


assign (resid 61 and name HE21) (resid 61 and name HG#) 1.8 0.0 1.7
assign (resid 61 and name HE22) (resid 61 and name HG#) 1.8 0.0 1.7

!inter

assign (resid 61 and name HN) (resid 59 and name HG1#) 1.8 0.0 5.5
assign (resid 61 and name HN) (resid 59 and name HG2#) 1.8 0.0 5.5

assign (resid 61 and name HN) (resid 60 and name HA) 1.8 0.0 1.1

assign (resid 61 and name HN) (resid 60 and name HB#) 1.8 0.0 3.2

assign (resid 61 and name HN) (resid 60 and name HG#) 1.8 0.0 3.2

assign (resid 61 and name HN) (resid 62 and name HA) 1.8 0.0 5.2

!!!!! assign (resid 61 and name HN) (resid 96 and name HG) 1.8 0.0 4.2

! assign (resid 61 and name HN) (resid 162 and name HB#) 1.8 0.0 6.2



assign (resid 61 and name HA) (resid 60 and name HA) 1.8 0.0 3.2


assign (resid 61 and name HB#) (resid 59 and name HG#) 1.8 0.0 4.2


assign (resid 61 and name HE22) (resid 59 and name HG1#) 1.8 0.0 6.2
assign (resid 61 and name HE21) (resid 59 and name HG1#) 1.8 0.0 5.2
assign (resid 61 and name HE22) (resid 59 and name HG2#) 1.8 0.0 5.2
assign (resid 61 and name HE21) (resid 59 and name HG2#) 1.8 0.0 5.2

!!assign (resid 61 and name HE21)  (resid 164 and name HG2#) 1.8 0.0 7.2
!!assign (resid 61 and name HE22)  (resid 164 and name HG2#) 1.8 0.0 7.2



!I62

!intra

assign (resid 62 and name HN) (resid 62 and name HA) 1.8 0.0 3.2

assign (resid 62 and name HN) (resid 62 and name HB) 1.8 0.0 3.2

assign (resid 62 and name HN) (resid 62 and name HD1#) 1.8 0.0 3.2

assign (resid 62 and name HN) (resid 62 and name HG2#) 1.8 0.0 3.2

assign (resid 62 and name HN) (resid 62 and name HG1#) 1.8 0.0 3.2

assign (resid 62 and name HD1#) (resid 62 and name HA) 1.8 0.0 3.2

assign (resid 62 and name HD1#) (resid 62 and name HB) 1.8 0.0 1.7


assign (resid 62 and name HB) (resid 62 and name HA) 1.8 0.0 1.7

assign (resid 62 and name HB) (resid 62 and name HG2#) 1.8 0.0 1.7

assign (resid 62 and name HB) (resid 62 and name HG1#) 1.8 0.0 3.2

assign (resid 62 and name HG2#) (resid 62 and name HG1#) 1.8 0.0 3.2

assign (resid 62 and name HG2#) (resid 62 and name HA) 1.8 0.0 3.2

assign (resid 62 and name HD1#) (resid 62 and name HG1#) 1.8 0.0 1.7

assign (resid 62 and name HD1#) (resid 62 and name HG2#) 1.8 0.0 1.7



!inter

assign (resid 62 and name HN) (resid 60 and name HA) 1.8 0.0 5.2

assign (resid 62 and name HN) (resid 61 and name HA) 1.8 0.0 1.7

assign (resid 62 and name HN) (resid 61 and name HB2) 1.8 0.0 3.2
assign (resid 62 and name HN) (resid 61 and name HB1) 1.8 0.0 3.2

assign (resid 62 and name HN) (resid 61 and name HG#) 1.8 0.0 3.2

assign (resid 62 and name HN) (resid 61 and name HN) 1.8 0.0 3.2

assign (resid 62 and name HN) (resid 64 and name HB#) 1.8 0.0 5.2

assign (resid 62 and name HN) (resid 113 and name HB2) 1.8 0.0 6.2   !201512
assign (resid 62 and name HN) (resid 113 and name HB1) 1.8 0.0 6.2   !201512



assign (resid 62 and name HA) (resid 113 and name HA) 1.8 0.0 6.2   !201512


assign (resid 62 and name HD1#) (resid 61 and name HA) 1.8 0.0 4.2

assign (resid 62 and name HD1#) (resid 61 and name HB#) 1.8 0.0 4.2

assign (resid 62 and name HD1#) (resid 66 and name HD#) 1.8 0.0 7.2    


assign (resid 62 and name HG2#) (resid 61 and name HA) 1.8 0.0 4.2

assign (resid 62 and name HG2#) (resid 64 and name HN) 1.8 0.0 3.2

assign (resid 62 and name HG2#) (resid 64 and name HB#) 1.8 0.0 4.2

assign (resid 62 and name HG2#) (resid 66 and name HD#) 1.8 0.0 6.2


   







!G63

!intra

assign (resid 63 and name HN) (resid 63 and name HA#) 1.8 0.0 1.7

!inter

assign (resid 63 and name HN) (resid  62 and name HA) 1.8 0.0 1.7

assign (resid 63 and name HN) (resid 62 and name HB) 1.8 0.0 3.2

assign (resid 63 and name HN) (resid 62 and name HD1#) 1.8 0.0 3.2

assign (resid 63 and name HN) (resid 62 and name HG2#) 1.8 0.0 3.2

assign (resid 63 and name HN) (resid 64 and name HN) 1.8 0.0 3.2

assign (resid 63 and name HN) (resid 64 and name HB#) 1.8 0.0 4.2





!E64


!intra

assign (resid 64 and name HN) (resid 64 and name HA) 1.8 0.0 1.1

assign (resid 64 and name HN) (resid 64 and name HB#) 1.8 0.0 3.2

assign (resid 64 and name HN) (resid 64 and name HG1) 1.8 0.0 3.2
assign (resid 64 and name HN) (resid 64 and name HG2) 1.8 0.0 3.2

assign (resid 64 and name HB#) (resid 64 and name HA) 1.8 0.0 1.7

assign (resid 64 and name HG1) (resid 64 and name HB#) 1.8 0.0 1.7
assign (resid 64 and name HG2) (resid 64 and name HB#) 1.8 0.0 1.7

assign (resid 64 and name HG1) (resid 64 and name HA) 1.8 0.0 3.2
assign (resid 64 and name HG2) (resid 64 and name HA) 1.8 0.0 3.2


!inter

assign (resid 64 and name HN) (resid 62 and name HG1#) 1.8 0.0 6.2
assign (resid 64 and name HN) (resid 62 and name HG2#) 1.8 0.0 6.2

assign (resid 64 and name HN) (resid 62 and name HA) 1.8 0.0 6.2

assign (resid 64 and name HN) (resid 62 and name HB) 1.8 0.0 6.2

assign (resid 64 and name HN) (resid 63 and name HA#) 1.8 0.0 1.1

assign (resid 64 and name HN) (resid 63 and name HN) 1.8 0.0 3.2

assign (resid 64 and name HN) (resid 65 and name HG#) 1.8 0.0 4.2

assign (resid 64 and name HN) (resid 65 and name HN) 1.8 0.0 3.2

assign (resid 64 and name HN) (resid 66 and name HB#) 1.8 0.0 6.2

assign (resid 64 and name HN) (resid 84 and name HN) 1.8 0.0 3.2  !H-bond

 

assign (resid 64 and name HA) (resid 65 and name HG#) 1.8 0.0 3.2


assign (resid 64 and name HB#) (resid 62 and name HG2#) 1.8 0.0 6.2

assign (resid 64 and name HB#) (resid 66 and name HE#) 1.8 0.0 3.2

assign (resid 64 and name HB#) (resid 66 and name HZ) 1.8 0.0 4.2


assign (resid 64 and name HG1) (resid 62 and name HG2#) 1.8 0.0 6.2
assign (resid 64 and name HG2) (resid 62 and name HG2#) 1.8 0.0 6.2

assign (resid 64 and name HG#) (resid 66 and name HD#) 1.8 0.0 4.2

assign (resid 64 and name HG1) (resid 66 and name HE#) 1.8 0.0 3.2
assign (resid 64 and name HG2) (resid 66 and name HE#) 1.8 0.0 3.2






!V65


!intra

assign (resid 65 and name HN) (resid 65 and name HA) 1.8 0.0 1.1

assign (resid 65 and name HN) (resid 65 and name HB) 1.8 0.0 3.2

assign (resid 65 and name HN) (resid 65 and name HG#) 1.8 0.0 1.7

assign (resid 65 and name HB) (resid 65 and name HG#) 1.8 0.0 1.1

assign (resid 65 and name HA) (resid 65 and name HB) 1.8 0.0 1.7

assign (resid 65 and name HA) (resid 65 and name HG#) 1.8 0.0 1.7


!inter



assign (resid 65 and name HN) (resid 64 and name HA) 1.8 0.0 1.1

assign (resid 65 and name HN) (resid 64 and name HB#) 1.8 0.0 3.2

assign (resid 65 and name HN) (resid 64 and name HG1) 1.8 0.0 3.2
assign (resid 65 and name HN) (resid 64 and name HG2) 1.8 0.0 3.2

! assign (resid 65 and name HN) (resid 64 and name HN) 1.8 0.0 1.7  ! repeated

assign (resid 65 and name HN) (resid 66 and name HN) 1.8 0.0 3.2


assign (resid 65 and name HA) (resid 66 and name HB#) 1.8 0.0 3.2

assign (resid 65 and name HA) (resid 66 and name HD#) 1.8 0.0 3.2

assign (resid 65 and name HA) (resid 66 and name HE#) 1.8 0.0 3.2

assign (resid 65 and name HA) (resid 84 and name HN) 1.8 0.0 3.2   !H-bond

assign (resid 65 and name HA) (resid 83 and name HA) 1.8 0.0 3.2   !H-bond

!! assign (resid 65 and name HA) (resid 98 and name HA) 1.8 0.0 6.2


assign (resid 65 and name HB#) (resid 66 and name HD#) 1.8 0.0 4.2

assign (resid 65 and name HB#) (resid 67 and name HG#) 1.8 0.0 6.2


assign (resid 65 and name HG#) (resid 64 and name HA) 1.8 0.0 3.2

assign (resid 65 and name HG#) (resid 66 and name HD#) 1.8 0.0 3.2

assign (resid 65 and name HG#) (resid 66 and name HE#) 1.8 0.0 3.2

assign (resid 65 and name HG#) (resid 67 and name HG#) 1.8 0.0 4.2


!F66

!intra

assign (resid 66 and name HN) (resid 66 and name HA) 1.8 0.0 1.1

assign (resid 66 and name HN) (resid 66 and name HB#) 1.8 0.0 1.7

assign (resid 66 and name HN) (resid 66 and name HD#) 1.8 0.0 3.2

assign (resid 66 and name HA) (resid 66 and name HB#) 1.8 0.0 1.7

assign (resid 66 and name HA) (resid 66 and name HD#) 1.8 0.0 3.2

assign (resid 66 and name HB#) (resid 66 and name HD#) 1.8 0.0 3.2

assign (resid 66 and name HE#) (resid 66 and name HB#) 1.8 0.0 3.2

assign (resid 66 and name HE#) (resid 66 and name HA) 1.8 0.0 4.2

!inter

!!!!! assign (resid 66 and name HN) (resid 54 and name HA) 1.8 0.0 6.2     

!!!!! assign (resid 66 and name HN) (resid 56 and name HA) 1.8 0.0 4.2


!! assign (resid 66 and name HN) (resid 61 and name HN) 1.8 0.0 6.2     !201512


assign (resid 66 and name HN) (resid 65 and name HA) 1.8 0.0 1.1

assign (resid 66 and name HN) (resid 65 and name HB) 1.8 0.0 3.2

assign (resid 66 and name HN) (resid 65 and name HG#) 1.8 0.0 4.2

assign (resid 66 and name HN) (resid 67 and name HN) 1.8 0.0 4.2

assign (resid 66 and name HN) (resid 83 and name HA) 1.8 0.0 4.2  !H-bond

assign (resid 66 and name HN) (resid 82 and name HN) 1.8 0.0 3.2  !H-bond





!! assign (resid 66 and name HA) (resid 57 and name HG) 1.8 0.0 8.2

assign (resid 66 and name HA) (resid 65 and name HG#) 1.8 0.0 3.2


!! assign (resid 66 and name HB#) (resid 57 and name HG) 1.8 0.0 8.2



!! assign (resid 66 and name HD#) (resid 59 and name HB) 1.8 0.0 8.2

assign (resid 66 and name HD#) (resid 65 and name HB) 1.8 0.0 4.2

assign (resid 66 and name HD#) (resid 65 and name HG#) 1.8 0.0 4.2

!! assign (resid 66 and name HD#) (resid 57 and name HG) 1.8 0.0 7.2


!! assign (resid 66 and name HE#) (resid 55 and name HG2#) 1.8 0.0 7.2  !possible 

assign (resid 66 and name HE#) (resid 65 and name HB) 1.8 0.0 5.2

assign (resid 66 and name HE#) (resid 65 and name HG#) 1.8 0.0 3.2

assign (resid 66 and name HE#) (resid 68 and name HB#) 1.8 0.0 7.2




!E67  


!intra

assign (resid 67 and name HN) (resid 67 and name HB#) 1.8 0.0 1.7

assign (resid 67 and name HN) (resid 67 and name HG1) 1.8 0.0 3.2
assign (resid 67 and name HN) (resid 67 and name HG2) 1.8 0.0 3.2

assign (resid 67 and name HN) (resid 67 and name HA) 1.8 0.0 1.7

assign (resid 67 and name HA) (resid 67 and name HB#) 1.8 0.0 1.7

assign (resid 67 and name HA) (resid 67 and name HG1) 1.8 0.0 3.2
assign (resid 67 and name HA) (resid 67 and name HG2) 1.8 0.0 3.2



!inter

!! assign (resid 67 and name HN) (resid 54 and name HA) 1.8 0.0 8.2

!! assign (resid 67 and name HN) (resid 55 and name HN) 1.8 0.0 8.2

assign (resid 67 and name HN) (resid 65 and name HG#) 1.8 0.0 4.2

assign (resid 67 and name HN) (resid 66 and name HA) 1.8 0.0 1.1

assign (resid 67 and name HN) (resid 66 and name HB#) 1.8 0.0 3.2

assign (resid 67 and name HN) (resid 66 and name HN) 1.8 0.0 3.2

assign (resid 67 and name HN) (resid 66 and name HD#) 1.8 0.0 3.2

assign (resid 67 and name HN) (resid 68 and name HN) 1.8 0.0 3.2

!! assign (resid 67 and name HN) (resid 93 and name HN) 1.8 0.0 6.2     !201512


assign (resid 67 and name HN) (resid 69 and name HG2#) 1.8 0.0 4.2



assign (resid 67 and name HA) (resid 68 and name HN) 1.8 0.0 3.2

assign (resid 67 and name HA) (resid 81 and name HA) 1.8 0.0 3.5  !H-bond

assign (resid 67 and name HA) (resid 82 and name HN) 1.8 0.0 3.2  !H-bond



!!@ assign (resid 67 and name HG#) (resid 66 and name HZ) 1.8 0.0 8.2

assign (resid 67 and name HG1) (resid 69 and name HG2#) 1.8 0.0 3.2
assign (resid 67 and name HG2) (resid 69 and name HG2#) 1.8 0.0 4.2





!C68

!intra

assign (resid 68 and name HN) (resid 68 and name HA) 1.8 0.0 1.7

assign (resid 68 and name HN) (resid 68 and name HB1) 1.8 0.0 3.2
assign (resid 68 and name HN) (resid 68 and name HB2) 1.8 0.0 3.2

assign (resid 68 and name HA) (resid 68 and name HB1) 1.8 0.0 1.7
assign (resid 68 and name HA) (resid 68 and name HB2) 1.8 0.0 3.2

!inter

assign (resid 68 and name HN) (resid 67 and name HA) 1.8 0.0 1.1

assign (resid 68 and name HN) (resid 67 and name HB#) 1.8 0.0 3.2

assign (resid 68 and name HN) (resid 67 and name HG1) 1.8 0.0 3.2
assign (resid 68 and name HN) (resid 67 and name HG2) 1.8 0.0 3.2

assign (resid 68 and name HN) (resid 69 and name HN) 1.8 0.0 3.2

assign (resid 68 and name HN) (resid 69 and name HG2#) 1.8 0.0 3.2

assign (resid 68 and name HN) (resid 79 and name HG2#) 1.8 0.0 3.2   !201512

assign (resid 68 and name HN) (resid 80 and name HB1) 1.8 0.0 4.2   !201512
assign (resid 68 and name HN) (resid 80 and name HB2) 1.8 0.0 4.2   !201512  

assign (resid 68 and name HN) (resid 81 and name HB#) 1.8 0.0 4.2   !201512

!! assign (resid 68 and name HN) (resid 165 and name HB#) 1.8 0.0 6.2   !201512


assign (resid 68 and name HN) (resid 81 and name HA) 1.8 0.0 3.2  !H-bond

assign (resid 68 and name HN) (resid 80 and name HN) 1.8 0.0 3.2  !H-bond

  

!!!!! assign (resid 68 and name HA) (resid 55 and name HG2#) 1.8 0.0 4.2

assign (resid 68 and name HA) (resid 67 and name HB#) 1.8 0.0 3.2

assign (resid 68 and name HA) (resid 69 and name HG2#) 1.8 0.0 3.2


!!!!! assign (resid 68 and name HB#) (resid 54 and name HB1) 1.8 0.0 4.2
!!!!! assign (resid 68 and name HB#) (resid 54 and name HB2) 1.8 0.0 4.2



!T69

!intra

assign (resid 69 and name HN) (resid 69 and name HA) 1.8 0.0 1.1

assign (resid 69 and name HN) (resid 69 and name HB) 1.8 0.0 3.2

assign (resid 69 and name HN) (resid 69 and name HG2#) 1.8 0.0 3.2

assign (resid 69 and name HB) (resid 69 and name HG2#) 1.8 0.0 1.7

assign (resid 69 and name HA) (resid 69 and name HB) 1.8 0.0 1.7

assign (resid 69 and name HA) (resid 69 and name HG2#) 1.8 0.0 1.7

!inter


!! assign (resid 69 and name HN) (resid 53 and name HA) 1.8 0.0 8.2   !possible_lan

!! assign (resid 69 and name HN) (resid 53 and name HB#) 1.8 0.0 8.2   !possible_lan

assign (resid 69 and name HN) (resid 68 and name HA) 1.8 0.0 1.1

assign (resid 69 and name HN) (resid 68 and name HB1) 1.8 0.0 3.2
assign (resid 69 and name HN) (resid 68 and name HB2) 1.8 0.0 3.2

assign (resid 69 and name HN) (resid 70 and name HN) 1.8 0.0 3.2

assign (resid 69 and name HN) (resid 70 and name HD#) 1.8 0.0 4.2

assign (resid 69 and name HN) (resid 70 and name HE#) 1.8 0.0 6.2


assign (resid 69 and name HA) (resid 70 and name HD#) 1.8 0.0 4.2

assign (resid 69 and name HA) (resid 79 and name HA) 1.8 0.0 3.2  !H-bond

assign (resid 69 and name HA) (resid 80 and name HN) 1.8 0.0 4.2  !H-bond


assign (resid 69 and name HB) (resid 67 and name HA) 1.8 0.0 7.2


assign (resid 69 and name HG2#) (resid 67 and name HA) 1.8 0.0 4.2

assign (resid 69 and name HG2#) (resid 70 and name HB#) 1.8 0.0 4.2

assign (resid 69 and name HG2#) (resid 71 and name HA) 1.8 0.0 6.2




!F70

!intra
assign (resid 70 and name HN) (resid 70 and name HE#) 1.8 0.0 4.5

assign (resid 70 and name HN) (resid 70 and name HA) 1.8 0.0 1.7

assign (resid 70 and name HN) (resid 70 and name HB1) 1.8 0.0 3.2
assign (resid 70 and name HN) (resid 70 and name HB2) 1.8 0.0 3.2

assign (resid 70 and name HN) (resid 70 and name HD#) 1.8 0.0 3.2


assign (resid 70 and name HA) (resid 70 and name HB1) 1.8 0.0 3.2
assign (resid 70 and name HA) (resid 70 and name HB2) 1.8 0.0 3.2

assign (resid 70 and name HA) (resid 70 and name HD#) 1.8 0.0 4.2

assign (resid 70 and name HB1) (resid 70 and name HD#) 1.8 0.0 3.2
assign (resid 70 and name HB2) (resid 70 and name HD#) 1.8 0.0 3.2

assign (resid 70 and name HB#) (resid 70 and name HE#) 1.8 0.0 3.2


!inter

assign (resid 70 and name HN) (resid 69 and name HA) 1.8 0.0 1.1

assign (resid 70 and name HN) (resid 69 and name HG2#) 1.8 0.0 3.2

assign (resid 70 and name HN) (resid 69 and name HB) 1.8 0.0 3.2

assign (resid 70 and name HN) (resid 69 and name HN) 1.8 0.0 3.2

assign (resid 70 and name HN) (resid 78 and name HN) 1.8 0.0 5.2

assign (resid 70 and name HN) (resid 79 and name HA) 1.8 0.0 3.2   !H-bond

assign (resid 70 and name HN) (resid 78 and name HN) 1.8 0.0 3.2   !H-bond



assign (resid 70 and name HD#) (resid 71 and name HB) 1.8 0.0 4.2

assign (resid 70 and name HD#) (resid 79 and name HA) 1.8 0.0 4.2

assign (resid 70 and name HD#) (resid 79 and name HB) 1.8 0.0 5.2

assign (resid 70 and name HD#) (resid 79 and name HG2#) 1.8 0.0 3.2



!!!@ assign (resid 70 and name HE#) (resid 158 and name HN) 1.8 0.0 5.2   !201512


!T71


!intra

assign (resid 71 and name HN) (resid 71 and name HA) 1.8 0.0 1.1

assign (resid 71 and name HN) (resid 71 and name HG2#) 1.8 0.0 3.2

assign (resid 71 and name HN) (resid 71 and name HB) 1.8 0.0 3.2

assign (resid 71 and name HG2#) (resid 71 and name HA) 1.8 0.0 1.7

assign (resid 71 and name HG2#) (resid 71 and name HB) 1.8 0.0 1.1

assign (resid 71 and name HB) (resid 71 and name HA) 1.8 0.0 1.7

!inter


assign (resid 71 and name HN) (resid 70 and name HA) 1.8 0.0 1.1

assign (resid 71 and name HN) (resid 70 and name HB1) 1.8 0.0 3.2
assign (resid 71 and name HN) (resid 70 and name HB2) 1.8 0.0 3.2

assign (resid 71 and name HN) (resid 70 and name HN) 1.8 0.0 3.2

assign (resid 71 and name HN) (resid 70 and name HD#) 1.8 0.0 5.2

assign (resid 71 and name HN) (resid 79 and name HA) 1.8 0.0 6.2

assign (resid 71 and name HN) (resid 79 and name HG2#) 1.8 0.0 6.2


assign (resid 71 and name HA) (resid 78 and name HN) 1.8 0.0 3.2  !H-bond

assign (resid 71 and name HA) (resid 77 and name HA) 1.8 0.0 3.2  !H-bond


assign (resid 71 and name HB) (resid 70 and name HD#) 1.8 0.0 4.5


assign (resid 71 and name HG2#) (resid 70 and name HB#) 1.8 0.0 3.5

assign (resid 71 and name HG2#) 
       ((resid 77 and name HD#) or (resid 78 and name HA#)) 1.8 0.0 3.2

assign (resid 71 and name HG2#) (resid 77 and name HB#) 1.8 0.0 5.2





!C72

!intra

assign (resid 72 and name HN) (resid 72 and name HA) 1.8 0.0 1.7

assign (resid 72 and name HN) (resid 72 and name HB1) 1.8 0.0 3.2
assign (resid 72 and name HN) (resid 72 and name HB2) 1.8 0.0 3.2

assign (resid 72 and name HA) (resid 72 and name HB1) 1.8 0.0 1.7
assign (resid 72 and name HA) (resid 72 and name HB2) 1.8 0.0 1.7

!inter

assign (resid 72 and name HN) (resid 71 and name HA) 1.8 0.0 1.1

assign (resid 72 and name HN) (resid 71 and name HB) 1.8 0.0 3.2

assign (resid 72 and name HN) (resid 71 and name HG2#) 1.8 0.0 3.2

assign (resid 72 and name HN) (resid 73 and name HN) 1.8 0.0 3.2

assign (resid 72 and name HN) ((resid 77 or resid 78)  and name HN) 1.8 0.0 3.2

assign (resid 72 and name HN) (resid 77 and name HB#) 1.8 0.0 4.2

assign (resid 72 and name HN) (resid 77 and name HB#) 1.8 0.0 3.2


assign (resid 72 and name HB#) (resid 73 and name HA#) 1.8 0.0 3.2





!G73

!intra

assign (resid 73 and name HN) (resid 73 and name HA1) 1.8 0.0 1.1
assign (resid 73 and name HN) (resid 73 and name HA2) 1.8 0.0 1.1

assign (resid 73 and name HA2) (resid 73 and name HA1) 1.8 0.0 1.7


!inter

assign (resid 73 and name HN) (resid 71 and name HG2#) 1.8 0.0 4.5

assign (resid 73 and name HN) (resid 72 and name HA) 1.8 0.0 1.7

assign (resid 73 and name HN) (resid 72 and name HB1) 1.8 0.0 3.2
assign (resid 73 and name HN) (resid 72 and name HB2) 1.8 0.0 3.2

assign (resid 73 and name HN) (resid 76 and name HN) 1.8 0.0 3.2

assign (resid 73 and name HN) (resid 76 and name HB#) 1.8 0.0 4.2

assign (resid 73 and name HN) (resid 77 and name HA) 1.8 0.0 5.2  



assign (resid 73 and name HA1) (resid 74 and name HB#) 1.8 0.0 3.2
assign (resid 73 and name HA2) (resid 74 and name HB#) 1.8 0.0 3.2

assign (resid 73 and name HA1) (resid 76 and name HB#) 1.8 0.0 4.2
assign (resid 73 and name HA2) (resid 76 and name HB#) 1.8 0.0 4.2




!A74


!intra

assign (resid 74 and name HN) (resid 74 and name HA) 1.8 0.0 3.2

assign (resid 74 and name HN) (resid 74 and name HB#) 1.8 0.0 3.2

assign (resid 74 and name HA) (resid 74 and name HB#) 1.8 0.0 1.1

!inter

assign (resid 74 and name HN) (resid 73 and name HA#) 1.8 0.0 1.7



assign (resid 74 and name HB#) (resid 75 and name HA) 1.8 0.0 3.2

assign (resid 74 and name HB#) (resid 75 and name HB#) 1.8 0.0 3.2

assign (resid 74 and name HB#) (resid 76 and name HB#) 1.8 0.0 5.2






!D75

!intra

assign (resid 75 and name HN) (resid 75 and name HA) 1.8 0.0 1.1

assign (resid 75 and name HN) (resid 75 and name HB1) 1.8 0.0 3.2
assign (resid 75 and name HN) (resid 75 and name HB2) 1.8 0.0 3.2

assign (resid 75 and name HB1) (resid 75 and name HA) 1.8 0.0 1.7
assign (resid 75 and name HB2) (resid 75 and name HA) 1.8 0.0 1.7


!inter

assign (resid 75 and name HN) (resid 73 and name HN) 1.8 0.0 4.2

assign (resid 75 and name HN) (resid 74 and name HA) 1.8 0.0 1.7

assign (resid 75 and name HN) (resid 74 and name HB#) 1.8 0.0 1.7

assign (resid 75 and name HN) (resid 77 and name HD#) 1.8 0.0 3.2





!C76

!intra

assign (resid 76 and name HN) (resid 76 and name HB#) 1.8 0.0 1.7

assign (resid 76 and name HN) (resid 76 and name HA) 1.8 0.0 1.7

assign (resid 76 and name HA) (resid 76 and name HB#) 1.8 0.0 3.2


!inter

assign (resid 76 and name HN) (resid 72 and name HN) 1.8 0.0 5.2

assign (resid 76 and name HN) (resid 73 and name HN) 1.8 0.0 3.2

assign (resid 76 and name HN) (resid 74 and name HA) 1.8 0.0 4.2

assign (resid 76 and name HN) (resid 74 and name HB#) 1.8 0.0 3.2

assign (resid 76 and name HN) (resid 75 and name HN) 1.8 0.0 4.2

assign (resid 76 and name HN) (resid 75 and name HA) 1.8 0.0 1.7

assign (resid 76 and name HN) (resid 75 and name HB1) 1.8 0.0 3.2
assign (resid 76 and name HN) (resid 75 and name HB2) 1.8 0.0 3.2

assign (resid 76 and name HN) (resid 77 and name HN) 1.8 0.0 3.2

assign (resid 76 and name HN) (resid 77 and name HB#) 1.8 0.0 4.2




assign (resid 76 and name HB#) (resid 73 and name HA#) 1.8 0.0 3.5




!R77


!intra

assign (resid 77 and name HN) (resid 77 and name HB#) 1.8 0.0 3.2

assign (resid 77 and name HN) (resid 77 and name HA) 1.8 0.0 1.7

assign (resid 77 and name HN) (resid 77 and name HD#) 1.8 0.0 3.2

assign (resid 77 and name HN) (resid 77 and name HG#) 1.8 0.0 3.2

assign (resid 77 and name HA) (resid 77 and name HB#) 1.8 0.0 3.2

assign (resid 77 and name HA) (resid 77 and name HG#) 1.8 0.0 3.2

assign (resid 77 and name HB#) (resid 77 and name HD#) 1.8 0.0 3.2

assign (resid 77 and name HD1) (resid 77 and name HA) 1.8 0.0 3.2
assign (resid 77 and name HD2) (resid 77 and name HA) 1.8 0.0 3.2



!inter

assign (resid 77 and name HN) (resid 74 and name HA) 1.8 0.0 7.2

assign (resid 77 and name HN) (resid 75 and name HA) 1.8 0.0 4.5

assign (resid 77 and name HN) (resid 76 and name HA) 1.8 0.0 1.1

assign (resid 77 and name HN) (resid 76 and name HB#) 1.8 0.0 3.2

assign (resid 77 and name HN) (resid 76 and name HN) 1.8 0.0 3.2




!G78

!intra

assign (resid 78 and name HN) (resid 78 and name HA1) 1.8 0.0 1.1
assign (resid 78 and name HN) (resid 78 and name HA2) 1.8 0.0 1.1

assign (resid 78 and name HA2) (resid 78 and name HA1) 1.8 0.0 1.7

!inter


assign (resid 78 and name HN) (resid 79 and name HG2#) 1.8 0.0 4.2

assign (resid 78 and name HN) (resid 72 and name HN) 1.8 0.0 5.2

assign (resid 78 and name HN) (resid 72 and name HA) 1.8 0.0 5.2

assign (resid 78 and name HN) (resid 77 and name HN) 1.8 0.0 3.2

assign (resid 78 and name HN) (resid 77 and name HA) 1.8 0.0 1.1

assign (resid 78 and name HN) (resid 77 and name HB#) 1.8 0.0 3.2

assign (resid 78 and name HN) (resid 77 and name HG#) 1.8 0.0 3.2

assign (resid 78 and name HN) (resid 79 and name HN) 1.8 0.0 3.2


assign (resid 78 and name HA1) (resid 69 and name HG2#) 1.8 0.0 7.2
assign (resid 78 and name HA2) (resid 69 and name HG2#) 1.8 0.0 7.2

assign (resid 78 and name HA1) (resid 70 and name HE#) 1.8 0.0 4.2
assign (resid 78 and name HA2) (resid 70 and name HE#) 1.8 0.0 4.2


 


!T79


!intra

assign (resid 79 and name HN) (resid 79 and name HA) 1.8 0.0 1.1

assign (resid 79 and name HN) (resid 79 and name HB) 1.8 0.0 3.2

assign (resid 79 and name HN) (resid 79 and name HG2#) 1.8 0.0 3.2

assign (resid 79 and name HG2#) (resid 79 and name HB) 1.8 0.0 1.1

assign (resid 79 and name HA) (resid 79 and name HB) 1.8 0.0 1.7

assign (resid 79 and name HA) (resid 79 and name HG2#) 1.8 0.0 1.7


!inter

assign (resid 79 and name HN) (resid 69 and name HA) 1.8 0.0 6.2

assign (resid 79 and name HN) (resid 70 and name HD#) 1.8 0.0 4.5

assign (resid 79 and name HN) (resid 70 and name HE#) 1.8 0.0 4.2

assign (resid 79 and name HN) (resid 77 and name HN) 1.8 0.0 6.2

assign (resid 79 and name HN) (resid 78 and name HA1) 1.8 0.0 1.7
assign (resid 79 and name HN) (resid 78 and name HA2) 1.8 0.0 1.7

assign (resid 79 and name HN) (resid 80 and name HN) 1.8 0.0 3.2


assign (resid 79 and name HA) (resid 70 and name HD#) 1.8 0.0 3.2

assign (resid 79 and name HA) (resid 70 and name HE#) 1.8 0.0 3.2



assign (resid 79 and name HB) (resid 67 and name HB#) 1.8 0.0 4.2   !201512

assign (resid 79 and name HB) (resid 67 and name HG1) 1.8 0.0 4.2   !201512
assign (resid 79 and name HB) (resid 67 and name HG2) 1.8 0.0 4.2   !201512

assign (resid 79 and name HB) (resid 67 and name HA) 1.8 0.0 5.2   !201512

assign (resid 79 and name HB) (resid 80 and name HG) 1.8 0.0 4.2







assign (resid 79 and name HG2#) (resid 80 and name HA) 1.8 0.0 4.2

assign (resid 79 and name HG2#) (resid 80 and name HG) 1.8 0.0 4.2

assign (resid 79 and name HG2#) (resid 69 and name HA) 1.8 0.0 3.2   !201512

!! assign (resid 79 and name HG2#) (resid 91 and name HA) 1.8 0.0 7.2   !201512







!S80

!intra

assign (resid 80 and name HN) (resid 80 and name HA) 1.8 0.0 1.7

assign (resid 80 and name HN) (resid 80 and name HB2) 1.8 0.0 3.2
assign (resid 80 and name HN) (resid 80 and name HB1) 1.8 0.0 3.2

assign (resid 80 and name HB1) (resid 80 and name HA) 1.8 0.0 3.2
assign (resid 80 and name HB2) (resid 80 and name HA) 1.8 0.0 3.2

!inter

assign (resid 80 and name HN) (resid 79 and name HA) 1.8 0.0 1.7

assign (resid 80 and name HN) (resid 79 and name HB) 1.8 0.0 3.2

assign (resid 80 and name HN) (resid 79 and name HG2#) 1.8 0.0 3.2

assign (resid 80 and name HN) (resid 79 and name HN) 1.8 0.0 3.2

!!@ assign (resid 80 and name HN) (resid 123 and name HA) 1.8 0.0 8.2




assign (resid 80 and name HB1) (resid 70 and name HD#) 1.8 0.0 5.2
assign (resid 80 and name HB2) (resid 70 and name HD#) 1.8 0.0 5.2

assign (resid 80 and name HB1) (resid 70 and name HE#) 1.8 0.0 6.2
assign (resid 80 and name HB2) (resid 70 and name HE#) 1.8 0.0 5.2

assign (resid 80 and name HB#) (resid 82 and name HE#) 1.8 0.0 5.5
 




!Q81

!intra

assign (resid 81 and name HN) (resid 81 and name HA) 1.8 0.0 1.1

assign (resid 81 and name HN) (resid 81 and name HB1) 1.8 0.0 3.2
assign (resid 81 and name HN) (resid 81 and name HB2) 1.8 0.0 3.2

assign (resid 81 and name HN) (resid 81 and name HG1) 1.8 0.0 3.2
assign (resid 81 and name HN) (resid 81 and name HG2) 1.8 0.0 3.2

assign (resid 81 and name HN) (resid 81 and name HE21) 1.8 0.0 4.2
assign (resid 81 and name HN) (resid 81 and name HE22) 1.8 0.0 5.2

assign (resid 81 and name HA) (resid 81 and name HB1) 1.8 0.0 3.2
assign (resid 81 and name HA) (resid 81 and name HB2) 1.8 0.0 3.2

assign (resid 81 and name HG1) (resid 81 and name HA) 1.8 0.0 3.2
assign (resid 81 and name HG2) (resid 81 and name HA) 1.8 0.0 3.2

assign (resid 81 and name HG1) (resid 81 and name HE2#) 1.8 0.0 3.2
assign (resid 81 and name HG2) (resid 81 and name HE2#) 1.8 0.0 3.2

assign (resid 81 and name HE21) (resid 81 and name HB1) 1.8 0.0 3.2   !201512
assign (resid 81 and name HE21) (resid 81 and name HB2) 1.8 0.0 3.2   !201512
assign (resid 81 and name HE22) (resid 81 and name HB1) 1.8 0.0 3.2   !201512
assign (resid 81 and name HE22) (resid 81 and name HB2) 1.8 0.0 3.2   !201512


!inter


assign (resid 81 and name HN) (resid 82 and name HA) 1.8 0.0 4.2

assign (resid 81 and name HN) (resid 80 and name HN) 1.8 0.0 3.2

assign (resid 81 and name HN) (resid 80 and name HA) 1.8 0.0 1.1

assign (resid 81 and name HN) (resid 80 and name HB1) 1.8 0.0 3.2
assign (resid 81 and name HN) (resid 80 and name HB2) 1.8 0.0 3.2


! assign (resid 81 and name HA) (resid 79 and name HA) 1.8 0.0 3.2

assign (resid 81 and name HA) (resid 80 and name HN) 1.8 0.0 3.2

assign (resid 81 and name HA) (resid 82 and name HA) 1.8 0.0 4.2

assign (resid 81 and name HB1) (resid 80 and name HN) 1.8 0.0 5.2
assign (resid 81 and name HB2) (resid 80 and name HN) 1.8 0.0 5.2


! assign (resid 81 and name HG#) (resid 85 and name HG#) 1.8 0.0 6.2

!!!!! assign (resid 81 and name HG#) (resid 120 and name HG#) 1.8 0.0 6.2

!!!!! assign (resid 81 and name HG#) (resid 129 and name HB#) 1.8 0.0 6.2



assign (resid 81 and name HE21) (resid 66 and name HB#) 1.8 0.0 3.2   !201512
assign (resid 81 and name HE22) (resid 66 and name HB#) 1.8 0.0 3.2   !201512

assign (resid 81 and name HE21) (resid 66 and name HA) 1.8 0.0 4.2   !201512
assign (resid 81 and name HE22) (resid 66 and name HA) 1.8 0.0 4.2   !201512

assign (resid 81 and name HE2#) (resid 82 and name HD#) 1.8 0.0 5.2






!Y82


!intra
assign (resid 82 and name HN) (resid 82 and name HA) 1.8 0.0 1.7

assign (resid 82 and name HN) (resid 82 and name HB1) 1.8 0.0 3.2
assign (resid 82 and name HN) (resid 82 and name HB2) 1.8 0.0 3.2

assign (resid 82 and name HA) (resid 82 and name HD#) 1.8 0.0 1.7

assign (resid 82 and name HD#) (resid 82 and name HB1) 1.8 0.0 1.7
assign (resid 82 and name HD#) (resid 82 and name HB2) 1.8 0.0 1.7

!inter

assign (resid 82 and name HN) (resid 79 and name HA) 1.8 0.2 7.2

assign (resid 82 and name HN) (resid 79 and name HG2#) 1.8 0.0 7.2

assign (resid 82 and name HN) (resid 81 and name HN) 1.8 0.0 3.2

assign (resid 82 and name HN) (resid 81 and name HA) 1.8 0.0 1.1

assign (resid 82 and name HN) (resid 81 and name HB1) 1.8 0.0 3.2
assign (resid 82 and name HN) (resid 81 and name HB2) 1.8 0.0 3.2

assign (resid 82 and name HN) (resid 81 and name HG#) 1.8 0.0 3.2

assign (resid 82 and name HN) (resid 81 and name HE2#) 1.8 0.0 4.2










!P83

! intra

assign (resid 83 and name HA) (resid 83 and name HB#) 1.8 0.0 3.2

assign (resid 83 and name HA) (resid 83 and name HG#) 1.8 0.0 3.2

! inter







!C84


!intra
assign (resid 84 and name HN) (resid 84 and name HA) 1.8 0.0 1.7

assign (resid 84 and name HN) (resid 84 and name HB1) 1.8 0.0 3.2
assign (resid 84 and name HN) (resid 84 and name HB2) 1.8 0.0 3.2

assign (resid 84 and name HA) (resid 84 and name HB1) 1.8 0.0 3.2
assign (resid 84 and name HA) (resid 84 and name HB2) 1.8 0.0 3.2


!inter

assign (resid 84 and name HN) (resid 62 and name HG2#) 1.8 0.0 4.2   !201512
assign (resid 84 and name HN) (resid 62 and name HG1#) 1.8 0.0 3.2   !201512

assign (resid 84 and name HN) (resid 62 and name HA#) 1.8 0.0 5.2   !201512

assign (resid 84 and name HN) (resid 83 and name HB#) 1.8 0.0 4.2

assign (resid 84 and name HN) (resid 83 and name HG#) 1.8 0.0 4.2

assign (resid 84 and name HN) (resid 83 and name HA) 1.8 0.0 1.7

assign (resid 84 and name HN) (resid 85 and name HG#) 1.8 0.0 4.2

!!!!! assign (resid 84 and name HN) (resid 137 and name HN) 1.8 0.0 6.2


assign (resid 84 and name HA) (resid 62 and name HG2#) 1.8 0.0 5.5   !201512

assign (resid 84 and name HA) (resid 66 and name HD#) 1.8 0.0 3.2   !201512

assign (resid 84 and name HA) (resid 66 and name HE#) 1.8 0.0 3.2   !201512


assign (resid 84 and name HB#) (resid 62 and name HG2#) 1.8 0.0 3.2   !201512

assign (resid 84 and name HB#) (resid 85 and name HG#) 1.8 0.0 3.2



!V85

!intra

assign (resid 85 and name HN) (resid 85 and name HB) 1.8 0.0 3.2

assign (resid 85 and name HN) (resid 85 and name HG1#) 1.8 0.0 3.2
assign (resid 85 and name HN) (resid 85 and name HG2#) 1.8 0.0 3.2

assign (resid 85 and name HN) (resid 85 and name HA) 1.8 0.0 3.2

assign (resid 85 and name HG1#) (resid 85 and name HA) 1.8 0.0 3.2
assign (resid 85 and name HG2#) (resid 85 and name HA) 1.8 0.0 3.2

assign (resid 85 and name HA) (resid 85 and name HB) 1.8 0.0 3.2

assign (resid 85 and name HB) (resid 85 and name HG1#) 1.8 0.0 3.2
assign (resid 85 and name HB) (resid 85 and name HG2#) 1.8 0.0 3.2

!inter

assign (resid 85 and name HN) (resid 84 and name HA) 1.8 0.0 1.1

assign (resid 85 and name HN) (resid 84 and name HB1) 1.8 0.0 3.2
assign (resid 85 and name HN) (resid 84 and name HB2) 1.8 0.0 3.2

assign (resid 85 and name HN) (resid 84 and name HN) 1.8 0.0 3.2

assign (resid 85 and name HN) (resid 86 and name HN) 1.8 0.0 3.2

!! assign (resid 85 and name HN) (resid 103 and name HA) 1.8 0.0 8.2  !lan

!!@ assign (resid 85 and name HN) (resid 115 and name HN) 1.8 0.0 8.2   !201512


assign (resid 85 and name HA) (resid 84 and name HA) 1.8 0.0 3.2 

assign (resid 85 and name HA) (resid 84 and name HB#) 1.8 0.0 3.2 

! assign (resid 85 and name HA) (resid 86 and name HN) 1.8 0.0 3.2  ! repeated  



assign (resid 85 and name HB) (resid 86 and name HE2#) 1.8 0.0 4.2

! assign (resid 85 and name HB) (resid 84 and name HA) 1.8 0.0 6.2    


assign (resid 85 and name HG1#) (resid 84 and name HA) 1.8 0.0 4.2  
assign (resid 85 and name HG2#) (resid 84 and name HA) 1.8 0.0 4.2

assign (resid 85 and (name HG1# or name HG2#)) (resid 86 and name HN) 1.8 0.0 4.2

assign (resid 85 and (name HG1# or name HG2#)) (resid 86 and name HG#) 1.8 0.0 4.2

assign (resid 85 and name HG2#) (resid 103 and name HN) 1.8 0.0 8.2   !201512
assign (resid 85 and name HG1#) (resid 103 and name HN) 1.8 0.0 8.2   !201512






!Q86

!intra

assign (resid 86 and name HN) (resid 86 and name HA) 1.8 0.0 3.2

assign (resid 86 and name HN) (resid 86 and name HB1) 1.8 0.0 3.2
assign (resid 86 and name HN) (resid 86 and name HB2) 1.8 0.0 3.2

assign (resid 86 and name HN) (resid 86 and name HG#) 1.8 0.0 3.2

assign (resid 86 and name HN) (resid 86 and name HE2#) 1.8 0.0 4.2

assign (resid 86 and name HB1) (resid 86 and name HA) 1.8 0.0 3.2
assign (resid 86 and name HB2) (resid 86 and name HA) 1.8 0.0 3.2

assign (resid 86 and name HB1) (resid 86 and name HG#) 1.8 0.0 3.2
assign (resid 86 and name HB2) (resid 86 and name HG#) 1.8 0.0 3.2

assign (resid 86 and name HE2#) (resid 86 and name HG#) 1.8 0.0 1.7


!inter

assign (resid  86 and name HN) (resid  85 and name HA) 1.8 0.0 1.1

assign (resid 86 and name HN) (resid 85 and name HB) 1.8 0.0 4.2

assign (resid 86 and name HN) (resid 85 and name HG1#) 1.8 0.0 3.2
assign (resid 86 and name HN) (resid 85 and name HG2#) 1.8 0.0 3.2

assign (resid 86 and name HN) (resid 87 and name HN) 1.8 0.0 4.2

assign (resid 86 and name HN) (resid 87 and name HG#) 1.8 0.0 4.2

assign (resid 86 and name HN) (resid 103 and name HA) 1.8 0.0 9.2   !lan

!!assign (resid 86 and name HN) (resid 148 and name HA) 1.8 0.0 6.2


assign (resid 86 and name HB1) (resid 88 and name HE#) 1.8 0.0 7.2
assign (resid 86 and name HB2) (resid 88 and name HE#) 1.8 0.0 7.2



assign (resid 86 and name HA) (resid 99 and name HD#) 1.8 0.0 6.2   !201512



!V87



!intra
assign (resid 87 and name HN) (resid 87 and name HA) 1.8 0.0 1.7

assign (resid 87 and name HN) (resid 87 and name HB) 1.8 0.0 3.2

assign (resid 87 and name HN) (resid 87 and name HG#) 1.8 0.0 3.2

assign (resid 87 and name HG#) (resid 87 and name HB) 1.8 0.0 1.1


assign (resid 87 and name HA) (resid 87 and name HB) 1.8 0.0 3.2

assign (resid 87 and name HA) (resid 87 and name HG#) 1.8 0.0 3.2

!inter


assign (resid 87 and name HN) (resid 86 and name HB1) 1.8 0.0 3.2
assign (resid 87 and name HN) (resid 86 and name HB2) 1.8 0.0 3.2

assign (resid 87 and name HN) (resid 86 and name HA) 1.8 0.0 1.1

assign (resid 87 and name HN) (resid 86 and name HG#) 1.8 0.0 4.2

assign (resid 87 and name HN) (resid 88 and name HB#) 1.8 0.0 4.2

assign (resid 87 and name HN) (resid 99 and name HD#) 1.8 0.0 6.2

assign (resid 87 and name HN) (resid 100 and name HN) 1.8 0.0 3.2  !H-bond

assign (resid 87 and name HN) (resid 100 and name HD#) 1.8 0.0 6.2


assign (resid 87 and name HG#) (resid 86 and name HE2#) 1.8 0.0 4.2

assign (resid 87 and name HG#) (resid 88 and name HE#) 1.8 0.0 4.2

assign (resid 87 and name HG#) (resid 89 and name HB) 1.8 0.0 4.2






!Y88

!intra

assign (resid 88 and name HN) (resid 88 and name HA) 1.8 0.0 1.7

assign (resid 88 and name HN) (resid 88 and name HB1) 1.8 0.0 3.2
assign (resid 88 and name HN) (resid 88 and name HB2) 1.8 0.0 3.2

assign (resid 88 and name HN) (resid 88 and name HD#) 1.8 0.0 3.2

assign (resid 88 and name HN) (resid 88 and name HE#) 1.8 0.0 5.2

assign (resid 88 and name HA) (resid 88 and name HB1) 1.8 0.0 3.2
assign (resid 88 and name HA) (resid 88 and name HB2) 1.8 0.0 3.2

assign (resid 88 and name HA) (resid 88 and name HD#) 1.8 0.0 4.2

assign (resid 88 and name HA) (resid 88 and name HE#) 1.8 0.0 4.2


assign (resid 88 and name HE#) (resid 88 and name HB1) 1.8 0.0 3.2
assign (resid 88 and name HE#) (resid 88 and name HB2) 1.8 0.0 3.2

assign (resid 88 and name HB1) (resid 87 and name HG#) 1.8 0.0 3.2   !201512
assign (resid 88 and name HB2) (resid 87 and name HG#) 1.8 0.0 3.2   !201512


!inter

assign (resid 88 and name HN) (resid 86 and name HB#) 1.8 0.0 4.2

assign (resid 88 and name HN) (resid 86 and name HG#) 1.8 0.0 6.2

assign (resid 88 and name HN) (resid 87 and name HA) 1.8 0.0 1.7

assign (resid 88 and name HN) (resid 87 and name HB) 1.8 0.0 3.2

assign (resid 88 and name HN) (resid 87 and name HG#) 1.8 0.0 4.2

assign (resid 88 and name HN) (resid 89 and name HN) 1.8 0.0 3.2

assign (resid 88 and name HN) (resid 89 and name HB) 1.8 0.0 5.2

assign (resid 88 and name HN) (resid 98 and name HA) 1.8 0.0 7.2

assign (resid 88 and name HN) (resid 99 and name HB#) 1.8 0.0 6.2

assign (resid 88 and name HN) (resid 99 and name HD#) 1.8 0.0 6.2

assign (resid 88 and name HN) (resid 99 and name HA) 1.8 0.0 5.2

assign (resid 88 and name HN) (resid 100 and name HN) 1.8 0.0 5.2

assign (resid 88 and name HN) (resid 100 and name HG) 1.8 0.0 6.2

assign (resid 88 and name HN) (resid 100 and name HD#) 1.8 0.0 4.2


assign (resid 88 and name HA) (resid 86 and name HB#) 1.8 0.0 6.2

assign (resid 88 and name HA) (resid 98 and name HA) 1.8 0.0 6.2

assign (resid 88 and name HA) (resid 99 and name HA) 1.8 0.0 3.2  !H-bond

assign (resid 88 and name HA) (resid 99 and name HD#) 1.8 0.0 6.2

assign (resid 88 and name HA) (resid 100 and name HB#) 1.8 0.0 5.2

assign (resid 88 and name HA) (resid 100 and name HN) 1.8 0.0 3.2   !H-bond



assign (resid 88 and name HB#) (resid 86 and name HB#) 1.8 0.0 4.2

assign (resid 88 and name HB#) (resid 89 and name HG#) 1.8 0.0 3.2


assign (resid 88 and name HE#) (resid 86 and name HB#) 1.8 0.0 6.2

assign (resid 88 and name HE#) (resid 87 and name HG#) 1.8 0.0 5.2

assign (resid 88 and name HE#) (resid 87 and name HA) 1.8 0.0 6.2

assign (resid 88 and name HE#) (resid 87 and name HB) 1.8 0.0 7.5


assign (resid 88 and name HE#) (resid 99 and name HB1) 1.8 0.0 6.2
assign (resid 88 and name HE#) (resid 99 and name HB2) 1.8 0.0 6.2

assign (resid 88 and name HE#) (resid 99 and name HD#) 1.8 0.0 5.2

assign (resid 88 and name HE#) (resid 98 and name HA) 1.8 0.0 5.2

assign (resid 88 and name HE#) (resid 99 and name HA) 1.8 0.0 4.2






!V89

!intra

assign (resid 89 and name HN) (resid 89 and name HA) 1.8 0.0 1.1

assign (resid 89 and name HN) (resid 89 and name HG1#) 1.8 0.0 3.2
assign (resid 89 and name HN) (resid 89 and name HG2#) 1.8 0.0 3.2

assign (resid 89 and name HN) (resid 89 and name HB) 1.8 0.0 3.2

assign (resid 89 and name HA) (resid 89 and name HG2#) 1.8 0.0 3.2
assign (resid 89 and name HA) (resid 89 and name HG1#) 1.8 0.0 3.2

assign (resid 89 and name HA) (resid 89 and name HB) 1.8 0.0 3.2

assign (resid 89 and name HB) (resid 89 and name HG1#) 1.8 0.0 3.2
assign (resid 89 and name HB) (resid 89 and name HG2#) 1.8 0.0 3.2


!inter

assign (resid 89 and name HN) (resid 56 and name HA) 1.8 0.0 4.2   !201512

assign (resid 89 and name HN) (resid 88 and name HD#) 1.8 0.0 3.2

assign (resid 89 and name HN) (resid 88 and name HN) 1.8 0.0 3.2

assign (resid 89 and name HN) (resid 88 and name HA) 1.8 0.0 1.7

assign (resid 89 and name HN) (resid 88 and name HB1) 1.8 0.0 3.2
assign (resid 89 and name HN) (resid 88 and name HB2) 1.8 0.0 3.2

assign (resid 89 and name HN) (resid 90 and name HN) 1.8 0.0 3.2

assign (resid 89 and name HN) (resid 97 and name HB#) 1.8 0.0 6.2   !201512

assign (resid 89 and name HN) (resid 97 and name HG#) 1.8 0.0 4.2

assign (resid 89 and name HN) (resid 98 and name HA) 1.8 0.0 5.2

assign (resid 89 and name HN) (resid 98 and name HN) 1.8 0.0 3.2    !H-bond

assign (resid 89 and name HN) (resid 99 and name HA) 1.8 0.0 3.2    !H-bond

assign (resid 89 and name HN) (resid 99 and name HB1) 1.8 0.0 6.2
assign (resid 89 and name HN) (resid 99 and name HB2) 1.8 0.0 5.2

assign (resid 89 and name HN) (resid 99 and name HD#) 1.8 0.0 6.2

assign (resid 89 and name HN) (resid 100 and name HN) 1.8 0.0 3.2   !201512




assign (resid 89 and name HA) (resid 56 and name HN) 1.8 0.0 4.2   !201512

assign (resid 89 and name HA) (resid 97 and name HG#) 1.8 0.0 5.2   !201512

assign (resid 89 and name HA) (resid 97 and name HB#) 1.8 0.0 6.2   !201512

assign (resid 89 and name HA) (resid 98 and name HA) 1.8 0.0 6.2

!! assign (resid 89 and name HA) (resid 99 and name HA) 1.8 0.0 4.5 ! repeated

assign (resid 89 and name HA) (resid 100 and name HB#) 1.8 0.0 6.2




assign (resid 89 and (name HG1# or name HG2#)) (resid 87 and name HB) 1.8 0.0 6.2

assign (resid 89 and name HG1#) (resid 88 and name HE#) 1.8 0.0 6.2
assign (resid 89 and name HG2#) (resid 88 and name HE#) 1.8 0.0 6.2

assign (resid 89 and (name HG1# or name HG2#)) (resid 90 and name HA) 1.8 0.0 3.2

assign (resid 89 and (name HG1# or name HG2#)) (resid 97 and name HB#) 1.8 0.0 6.2

assign (resid 89 and (name HG1# or name HG2#)) (resid 97 and name HD1) 1.8 0.0 4.2   !201512
assign (resid 89 and (name HG1# or name HG2#)) (resid 97 and name HD2) 1.8 0.0 4.2   !201512

assign (resid 89 and (name HG1# or name HG2#)) (resid 99 and name HB#) 1.8 0.0 5.2

!!!@   assign (resid 89 and (name HG1# or name HG2#))  (resid 115 and name HE#) 1.8 0.0 8.2   !201512




!N90

!intra

assign (resid 90 and name HN) (resid 90 and name HA) 1.8 0.0 1.7

assign (resid 90 and name HN) (resid 90 and name HB1) 1.8 0.0 1.7
assign (resid 90 and name HN) (resid 90 and name HB2) 1.8 0.0 1.7

assign (resid 90 and name HN) (resid 90 and name HD2#) 1.8 0.0 3.2

assign (resid 90 and name HD2#) (resid 90 and name HA) 1.8 0.0 5.2

assign (resid 90 and name HD21) (resid 90 and name HB1) 1.8 0.0 1.7
assign (resid 90 and name HD21) (resid 90 and name HB2) 1.8 0.0 1.7
assign (resid 90 and name HD22) (resid 90 and name HB1) 1.8 0.0 3.2
assign (resid 90 and name HD22) (resid 90 and name HB2) 1.8 0.0 3.2

assign (resid 90 and name HB1) (resid 90 and name HA) 1.8 0.0 1.7
assign (resid 90 and name HB2) (resid 90 and name HA) 1.8 0.0 1.7


!inter

assign (resid 90 and name HN) (resid 88 and name HE#) 1.8 0.0 6.5

assign (resid 90 and name HN) (resid 89 and name HN) 1.8 0.0 3.2

assign (resid 90 and name HN) (resid 89 and name HA) 1.8 0.0 1.1

assign (resid 90 and name HN) (resid 89 and name HB) 1.8 0.0 3.2

assign (resid 90 and name HN) (resid 89 and name HG1#) 1.8 0.0 3.2
assign (resid 90 and name HN) (resid 89 and name HG2#) 1.8 0.0 3.2

assign (resid 90 and name HN) (resid 91 and name HN) 1.8 0.0 3.2

assign (resid 90 and name HN) (resid 91 and name HD2#) 1.8 0.0 5.2

assign (resid 90 and name HN) (resid 96 and name HB#) 1.8 0.0 7.2

assign (resid 90 and name HN) (resid 97 and name HG#) 1.8 0.0 5.2



assign (resid 90 and name HA) (resid 97 and name HA) 1.8 0.0 3.2  !H-bond

assign (resid 90 and name HA) (resid 98 and name HN) 1.8 0.0 3.2  !H-bond


assign (resid 90 and name HB1) (resid 89 and (name HG1# or name HG2#)) 1.8 0.0 4.2
assign (resid 90 and name HB2) (resid 89 and (name HG1# or name HG2#)) 1.8 0.0 4.2

assign (resid 90 and name HB1) (resid 91 and name HB#) 1.8 0.0 6.2
assign (resid 90 and name HB2) (resid 91 and name HB#) 1.8 0.0 6.2





assign (resid 90 and name HD21) (resid 88 and name HB#) 1.8 0.0 6.2
assign (resid 90 and name HD22) (resid 88 and name HB#) 1.8 0.0 7.2

assign (resid 90 and name HD22) (resid 89 and (name HG1# or name HG2#)) 1.8 0.0 5.2
assign (resid 90 and name HD21) (resid 89 and (name HG1# or name HG2#)) 1.8 0.0 4.2

assign (resid 90 and name HD21) (resid 91 and name HN) 1.8 0.0 4.2
assign (resid 90 and name HD22) (resid 91 and name HN) 1.8 0.0 4.2

assign (resid 90 and name HD21) (resid 98 and name HA) 1.8 0.0 6.2
assign (resid 90 and name HD22) (resid 98 and name HA) 1.8 0.0 7.2

assign (resid 90 and name HD21) (resid 99 and name HB#) 1.8 0.0 4.2
assign (resid 90 and name HD22) (resid 99 and name HB#) 1.8 0.0 5.2

assign (resid 90 and name HD21) (resid 99 and name HD#) 1.8 0.0 4.5
assign (resid 90 and name HD22) (resid 99 and name HD#) 1.8 0.0 5.2








!N91


!intra

assign (resid 91 and name HN) (resid 91 and name HA) 1.8 0.0 1.1

assign (resid 91 and name HN) (resid 91 and name HB1) 1.8 0.0 3.2
assign (resid 91 and name HN) (resid 91 and name HB2) 1.8 0.0 1.7

assign (resid 91 and name HN) (resid 91 and name HD2#) 1.8 0.0 3.2

assign (resid 91 and name HA) (resid 91 and name HB1) 1.8 0.0 3.2
assign (resid 91 and name HA) (resid 91 and name HB2) 1.8 0.0 3.2


!inter

assign (resid 91 and name HN) (resid 89 and name HG1#) 1.8 0.0 4.2   !201512
assign (resid 91 and name HN) (resid 89 and name HG2#) 1.8 0.0 4.2   !201512

assign (resid 91 and name HN) (resid 90 and name HA) 1.8 0.0 1.1

assign (resid 91 and name HN) (resid 90 and name HB1) 1.8 0.0 3.2
assign (resid 91 and name HN) (resid 90 and name HB2) 1.8 0.0 3.2

assign (resid 91 and name HN) (resid 90 and name HN) 1.8 0.0 3.2

assign (resid 91 and name HN) (resid 97 and name HA) 1.8 0.0 3.2   !H-bond

assign (resid 91 and name HN) (resid 96 and name HN) 1.8 0.0 3.2   !H-bond

assign (resid 91 and name HN) (resid 98 and name HB#) 1.8 0.0 4.2


assign (resid 91 and name HA) (resid 89 and name HG#) 1.8 0.0 4.2

assign (resid 91 and name HA) (resid 92 and name HG) 1.8 0.0 3.2



assign (resid 91 and name HB1) (resid 89 and name HG2#) 1.8 0.0 4.2   !201512
assign (resid 91 and name HB2) (resid 89 and name HG2#) 1.8 0.0 5.2   !201512
assign (resid 91 and name HB1) (resid 89 and name HG1#) 1.8 0.0 4.2
assign (resid 91 and name HB2) (resid 89 and name HG1#) 1.8 0.0 4.2

assign (resid 91 and name HB1) (resid 92 and name HG) 1.8 0.0 4.2
assign (resid 91 and name HB2) (resid 92 and name HG) 1.8 0.0 4.2

assign (resid 91 and name HB1) (resid 98 and name HB#) 1.8 0.0 4.2   !201512
assign (resid 91 and name HB2) (resid 98 and name HB#) 1.8 0.0 4.2   !201512





!S92

!intra

assign (resid 92 and name HN) (resid 92 and name HA) 1.8 0.0 1.1

assign (resid 92 and name HN) (resid 92 and name HB#) 1.8 0.0 3.2

assign (resid 92 and name HN) (resid 92 and name HG) 1.8 0.0 3.2



!inter

assign (resid 92 and name HN) (resid 55 and name HN) 1.8 0.0 4.2   !201512

assign (resid 92 and name HN) (resid 90 and name HD2#) 1.8 0.0 5.2

assign (resid 92 and name HN) (resid 91 and name HA) 1.8 0.0 1.7

assign (resid 92 and name HN) (resid 91 and name HB1) 1.8 0.0 3.2
assign (resid 92 and name HN) (resid 91 and name HB2) 1.8 0.0 3.2

assign (resid 92 and name HN) (resid 91 and name HN) 1.8 0.0 3.2

assign (resid 92 and name HN) (resid 93 and name HN) 1.8 0.0 3.2

assign (resid 92 and name HN) (resid 93 and name HG#) 1.8 0.0 5.2

! assign (resid 92 and name HN) (resid 96 and name HB#) 1.8 0.0 6.2
 
assign (resid 92 and name HN) (resid 97 and name HA) 1.8 0.0 5.2

assign (resid 92 and name HN) (resid 98 and name HB#) 1.8 0.0 5.2


assign (resid 92 and name HA) (resid 93 and name HG1) 1.8 0.0 5.2
assign (resid 92 and name HA) (resid 93 and name HG2) 1.8 0.0 5.2

assign (resid 92 and name HA) (resid 94 and name HA) 1.8 0.0 5.2

assign (resid 92 and name HA) (resid 94 and name HB#) 1.8 0.0 5.2

assign (resid 92 and name HA) (resid 95 and name HA) 1.8 0.0 5.2   !H-bond

assign (resid 92 and name HA) (resid 95 and name HB1) 1.8 0.0 4.2   !lan
assign (resid 92 and name HA) (resid 95 and name HB2) 1.8 0.0 4.2   !lan

assign (resid 92 and name HA) (resid 96 and name HN) 1.8 0.0 3.2   !H-bond

assign (resid 92 and name HA) (resid 97 and name HA) 1.8 0.0 6.2





!E93

!intra

assign (resid 93 and name HN) (resid 93 and name HA) 1.8 0.0 1.1

assign (resid 93 and name HA) (resid 93 and name HB#) 1.8 0.0 1.7

assign (resid 93 and name HA) (resid 93 and name HG1) 1.8 0.0 3.2
assign (resid 93 and name HA) (resid 93 and name HG2) 1.8 0.0 3.2

!inter

assign (resid 93 and name HN) (resid 92 and name HB#) 1.8 0.0 3.2

assign (resid 93 and name HN) (resid 92 and name HG) 1.8 0.0 3.2

assign (resid 93 and name HN) (resid 94 and name HN) 1.8 0.0 3.2

assign (resid 93 and name HN) (resid 96 and name HB#) 1.8 0.0 5.2




assign (resid 93 and name HB#) (resid 92 and name HB#) 1.8 0.0 5.2

!! assign (resid 93 and name HB#) (resid 97 and name HG#) 1.8 0.0 6.2









!S94

!intra

assign (resid 94 and name HN) (resid 94 and name HA) 1.8 0.0 1.7

assign (resid 94 and name HN) (resid 94 and name HB1) 1.8 0.0 3.2
assign (resid 94 and name HN) (resid 94 and name HB2) 1.8 0.0 3.2

assign (resid 94 and name HA) (resid 94 and name HB#) 1.8 0.0 1.7

!inter

assign (resid 94 and name HN) (resid 92 and name HG) 1.8 0.0 5.2

assign (resid 94 and name HN) (resid 95 and name HA) 1.8 0.0 5.2

assign (resid 94 and name HN) (resid 93 and name HA) 1.8 0.0 3.2

assign (resid 94 and name HN) (resid 93 and name HB#) 1.8 0.0 3.2

assign (resid 94 and name HN) (resid 93 and name HG1) 1.8 0.0 4.2
assign (resid 94 and name HN) (resid 93 and name HG2) 1.8 0.0 4.2

assign (resid 94 and name HN) (resid 93 and name HN) 1.8 0.0 3.2

assign (resid 94 and name HN) (resid 95 and name HN) 1.8 0.0 3.2

assign (resid 94 and name HN) (resid 95 and name HB1) 1.8 0.0 6.2
assign (resid 94 and name HN) (resid 95 and name HB2) 1.8 0.0 6.2

assign (resid 94 and name HN) (resid 96 and name HN) 1.8 0.0 4.2

!! assign (resid 94 and name HN) (resid 136 and name HD#) 1.8 0.0 6.2   !201512



!! assign (resid 94 and name HB#) (resid 97 and name HG#) 1.8 0.0 8.5






!N95


!intra


assign (resid 95 and name HN) (resid 95 and name HA) 1.8 0.0 1.1

assign (resid 95 and name HN) (resid 95 and name HB1) 1.8 0.0 3.2
assign (resid 95 and name HN) (resid 95 and name HB2) 1.8 0.0 3.2

assign (resid 95 and name HA) (resid 95 and name HB2) 1.8 0.0 1.7
assign (resid 95 and name HB1) (resid 95 and name HA) 1.8 0.0 1.7


!inter


assign (resid 95 and name HN) (resid 93 and name HG#) 1.8 0.0 4.2

assign (resid 95 and name HN) (resid 94 and name HB1) 1.8 0.0 3.2
assign (resid 95 and name HN) (resid 94 and name HB2) 1.8 0.0 3.2

assign (resid 95 and name HN) (resid 94 and name HA) 1.8 0.0 3.2

assign (resid 95 and name HN) (resid 94 and name HN) 1.8 0.0 3.2

assign (resid 95 and name HN) (resid 96 and name HN) 1.8 0.0 3.2



assign (resid 95 and name HA) (resid 96 and name HA) 1.8 0.0 3.2

assign (resid 95 and name HA) (resid 97 and name HN) 1.8 0.0 5.2

! assign (resid 95 and name HA) (resid 97 and name HD#) 1.8 0.0 6.2   






!S96

!intra

assign (resid 96 and name HN) (resid 96 and name HB#) 1.8 0.0 3.2

assign (resid 96 and name HN) (resid 96 and name HA) 1.8 0.0 1.7

assign (resid 96 and name HA) (resid 96 and name HB#) 1.8 0.0 3.2

!inter


assign (resid 96 and name HN) (resid 92 and name HA) 1.8 0.0 4.2

assign (resid 96 and name HN) (resid 93 and name HN) 1.8 0.0 3.2

assign (resid 96 and name HN) (resid 93 and name HG#) 1.8 0.0 3.2

assign (resid 96 and name HN) (resid 95 and name HA) 1.8 0.0 1.7

assign (resid 96 and name HN) (resid 95 and name HN) 1.8 0.0 4.2

assign (resid 96 and name HN) (resid 95 and name HB1) 1.8 0.0 3.2
assign (resid 96 and name HN) (resid 95 and name HB2) 1.8 0.0 3.2

assign (resid 96 and name HN) (resid 97 and name HD#) 1.8 0.0 6.2



!!!! assign (resid 96 and name HB#) (resid 62 and name HG2#) 1.8 0.0 4.2

assign (resid 96 and name HB#) (resid 97 and name HG#) 1.8 0.0 4.2

assign (resid 96 and name HB#) (resid 98 and name HN) 1.8 0.0 3.2





!R97

!intra

assign (resid 97 and name HN) (resid 97 and name HA) 1.8 0.0 1.1

assign (resid 97 and name HN) (resid 97 and name HB#) 1.8 0.0 3.2

assign (resid 97 and name HN) (resid 97 and name HG#) 1.8 0.0 4.2

assign (resid 97 and name HN) (resid 97 and name HD#) 1.8 0.0 4.2

assign (resid 97 and name HA) (resid 97 and name HD#) 1.8 0.0 4.2

assign (resid 97 and name HB#) (resid 97 and name HA) 1.8 0.0 3.2

assign (resid 97 and name HB#) (resid 97 and name HG#) 1.8 0.0 1.7

assign (resid 97 and name HB#) (resid 97 and name HD#) 1.8 0.0 3.2

assign (resid 97 and name HG#) (resid 97 and name HD#) 1.8 0.0 1.7




!inter

!!!! assign (resid 97 and name HN) (resid 62 and name HG2#) 1.8 0.0 4.2

!!!! assign (resid 97 and name HN) (resid 63 and name HA#) 1.8 0.0 4.2

assign (resid 97 and name HN) (resid 69 and name HG2#) 1.8 0.0 3.2   !201512

assign (resid 97 and name HN) (resid 96 and name HN) 1.8 0.0 3.2

assign (resid 97 and name HN) (resid 96 and name HA) 1.8 0.0 1.7

assign (resid 97 and name HN) (resid 96 and name HB#) 1.8 0.0 4.2

assign (resid 97 and name HN) (resid 98 and name HN) 1.8 0.0 3.2

assign (resid 97 and name HN) (resid 99 and name HD#) 1.8 0.0 6.2



assign (resid 97 and name HB#) (resid 69 and name HG2#) 1.8 0.0 5.2   !201512



!!!!! assign (resid 97 and name HD#) (resid 61 and name HA) 1.8 0.0 6.2

assign (resid 97 and name HD#) (resid 96 and name HG) 1.8 0.0 6.2

!!!!! assign (resid 97 and name HD#) (resid 161 and (name HD1# or name HD2#)) 1.8 0.0 4.2






!A98

!intra

assign (resid 98 and name HN) (resid 98 and name HA) 1.8 0.0 1.1

assign (resid 98 and name HN) (resid 98 and name HB#) 1.8 0.0 1.1

assign (resid 98 and name HB#) (resid 98 and name HA) 1.8 0.0 1.1

!inter

assign (resid 98 and name HN) (resid 89 and name HG1#) 1.8 0.0 6.2
assign (resid 98 and name HN) (resid 89 and name HG2#) 1.8 0.0 5.2

! assign (resid 98 and name HN) (resid 89 and name HN) 1.8 0.0 4.2  ! repeated

assign (resid 98 and name HN) (resid 89 and name HA) 1.8 0.0 6.2

assign (resid 98 and name HN) (resid 90 and name HA) 1.8 0.0 3.2

assign (resid 98 and name HN) (resid 90 and name HB#) 1.8 0.0 3.2   !201512

assign (resid 98 and name HN) (resid 91 and name HN) 1.8 0.0 3.2

assign (resid 98 and name HN) (resid 91 and name HB#) 1.8 0.0 4.2   !201512

assign (resid 98 and name HN) (resid 96 and name HG) 1.8 0.0 5.2

assign (resid 98 and name HN) (resid 97 and name HN) 1.8 0.0 3.2

assign (resid 98 and name HN) (resid 97 and name HB#) 1.8 0.0 3.2

assign (resid 98 and name HN) (resid 97 and name HG#) 1.8 0.0 3.2

assign (resid 98 and name HN) (resid 97 and name HA) 1.8 0.0 1.1

assign (resid 98 and name HN) (resid 99 and name HN) 1.8 0.0 3.2


 
assign (resid 98 and name HB#) (resid 89 and name HA) 1.8 0.0 4.2

assign (resid 98 and name HB#) (resid 89 and name HN) 1.8 0.0 3.2

assign (resid 98 and name HB#)  (resid 89 and name HG1#) 1.8 0.0 4.2
assign (resid 98 and name HB#)  (resid 89 and name HG2#) 1.8 0.0 4.2

assign (resid 98 and name HB#)  (resid 90 and name HB#) 1.8 0.0 4.2

assign (resid 98 and name HB#) (resid 90 and name HD2#) 1.8 0.0 4.2

assign (resid 98 and name HB#)  (resid 97 and name HG#) 1.8 0.0 4.2



assign (resid 98 and name HB#)  (resid 91 and name HB1) 1.8 0.0 5.2
assign (resid 98 and name HB#)  (resid 91 and name HB2) 1.8 0.0 5.2








!L99

!intra

assign (resid 99 and name HN) (resid 99 and name HA) 1.8 0.0 1.7

assign (resid 99 and name HN) (resid 99 and name HB1) 1.8 0.0 1.7
assign (resid 99 and name HN) (resid 99 and name HB2) 1.8 0.0 3.2

assign (resid 99 and name HN) (resid 99 and name HD#) 1.8 0.0 4.2

assign (resid 99 and name HN) (resid 99 and name HG) 1.8 0.0 3.2

assign (resid 99 and name HA) (resid 99 and name HB1) 1.8 0.0 3.2
assign (resid 99 and name HA) (resid 99 and name HB2) 1.8 0.0 3.2

assign (resid 99 and name HA) (resid 99 and name HG) 1.8 0.0 3.2

assign (resid 99 and name HD#) (resid 99 and name HA) 1.8 0.0 1.7

assign (resid 99 and name HD#) (resid 99 and name HB1) 1.8 0.0 1.7
assign (resid 99 and name HD#) (resid 99 and name HB2) 1.8 0.0 1.7

assign (resid 99 and name HG) (resid 99 and name HB1) 1.8 0.0 1.7
assign (resid 99 and name HG) (resid 99 and name HB2) 1.8 0.0 1.7

assign (resid 99 and name HG) (resid 99 and name HD#) 1.8 0.0 1.7





!inter


assign (resid 99 and name HN) (resid 88 and name HE#) 1.8 0.0 4.2

assign (resid 99 and name HN) (resid 97 and name HD#) 1.8 0.0 6.2

assign (resid 99 and name HN) (resid 98 and name HA) 1.8 0.0 1.1

assign (resid 99 and name HN) (resid 98 and name HB#) 1.8 0.0 3.2

assign (resid 99 and name HN) (resid 98 and name HN) 1.8 0.0 3.2


assign (resid 99 and name HA) (resid 88 and name HD#) 1.8 0.0 4.2

assign (resid 99 and name HA) (resid 89 and name HA) 1.8 0.0 6.2

assign (resid 99 and name HA) (resid 101 and name HE1) 1.8 0.0 4.2   !201512



assign (resid 99 and name HB1) (resid 88 and name HE#) 1.8 0.0 6.2
assign (resid 99 and name HB2) (resid 88 and name HE#) 1.8 0.0 6.2

assign (resid 99 and name HB#) (resid 100 and name HA) 1.8 0.0 3.2
 



assign (resid 99 and name HG) (resid 88 and name HE#) 1.8 0.0 6.2

assign (resid 99 and name HG) (resid 98 and name HA) 1.8 0.0 5.2




assign (resid 99 and name HD#) (resid 88 and name HD#) 1.8 0.0 4.2

assign (resid 99 and name HD#) (resid 88 and name HE#) 1.8 0.0 4.2

assign (resid 99 and name HD#) (resid 89 and name HA) 1.8 0.0 6.2

assign (resid 99 and name HD#) (resid 101 and name HE1) 1.8 0.0 3.2   !201512





!L100

!intra

assign (resid 100 and name HN) (resid 100 and name HA) 1.8 0.0 3.2

assign (resid 100 and name HN) (resid 100 and name HD#) 1.8 0.0 4.2

assign (resid 100 and name HN) (resid 100 and name HB1) 1.8 0.0 1.7
assign (resid 100 and name HN) (resid 100 and name HB2) 1.8 0.0 1.7

assign (resid 100 and name HN) (resid 100 and name HG) 1.8 0.0 3.2

assign (resid 100 and name HA) (resid 100 and name HD#) 1.8 0.0 5.2

assign (resid 100 and name HB#) (resid 100 and name HA) 1.8 0.0 3.2

assign (resid 100 and name HB1) (resid 100 and name HD#) 1.8 0.0 3.2
assign (resid 100 and name HB2) (resid 100 and name HD#) 1.8 0.0 3.2

assign (resid 100 and name HG) (resid 100 and name HA) 1.8 0.0 3.2

assign (resid 100 and name HG) (resid 100 and name HD#) 1.8 0.0 3.2

!inter


assign (resid 100 and name HN) (resid 87 and name HN) 1.8 0.0 6.2

assign (resid 100 and name HN) (resid 88 and name HA) 1.8 0.0 5.2

assign (resid 100 and name HN) (resid 88 and name HE#) 1.8 0.0 6.2

assign (resid 100 and name HN) (resid 88 and name HN) 1.8 0.0 3.2   !201512


assign (resid 100 and name HN) (resid 99 and name HA) 1.8 0.0 1.7

assign (resid 100 and name HN) (resid 99 and name HB1) 1.8 0.0 3.2
assign (resid 100 and name HN) (resid 99 and name HB2) 1.8 0.0 3.2

assign (resid 100 and name HN) (resid 99 and name HD#) 1.8 0.0 3.2

assign (resid 100 and name HN) (resid 99 and name HG) 1.8 0.0 4.2

!! assign (resid 100 and name HN) (resid 136 and name HD#) 1.8 0.0 8.2   !201512



assign (resid 100 and name HB#) (resid 89 and name HG#) 1.8 0.0 4.2

!!!! assign (resid 100 and name HB#) (resid 158 and name HB#) 1.8 0.0 3.2



assign (resid 100 and name HG) (resid 87 and name HA) 1.8 0.0 6.2

assign (resid 100 and name HG) (resid 88 and name HE#) 1.8 0.0 5.2

assign (resid 100 and name HG) (resid 99 and name HN) 1.8 0.0 6.2

assign (resid 100 and name HG) (resid 101 and name HD2) 1.8 0.0 6.2



assign (resid 100 and name HD#) (resid 86 and name HB#) 1.8 0.0 5.2

assign (resid 100 and name HD#) (resid 88 and name HE#) 1.8 0.0 4.2

assign (resid 100 and name HD#) (resid 89 and name HG1#) 1.8 0.0 5.2
assign (resid 100 and name HD#) (resid 89 and name HG2#) 1.8 0.0 5.2

assign (resid 100 and name HD#) (resid 99 and name HD#) 1.8 0.0 4.2


assign (resid 100 and name HD#) (resid 101 and name HE1) 1.8 0.0 4.2   !201512









!H101

!intra

assign (resid 101 and name HN) (resid 101 and name HA) 1.8 0.0 1.7

assign (resid 101 and name HN) (resid 101 and name HB1) 1.8 0.0 3.2
assign (resid 101 and name HN) (resid 101 and name HB2) 1.8 0.0 3.2

assign (resid 101 and name HB1) (resid 101 and name HA) 1.8 0.0 3.2
assign (resid 101 and name HB2) (resid 101 and name HA) 1.8 0.0 3.2

assign (resid 101 and name HB1) (resid 101 and name HD2) 1.8 0.0 3.2
assign (resid 101 and name HB2) (resid 101 and name HD2) 1.8 0.0 3.2

!inter



assign (resid 101 and name HN) (resid  88 and name HE#) 1.8 0.0 5.2

assign (resid 101 and name HN) (resid 100 and name HA) 1.8 0.0 1.7

assign (resid 101 and name HN) (resid 100 and name HB1) 1.8 0.0 3.2
assign (resid 101 and name HN) (resid 100 and name HB2) 1.8 0.0 3.2

assign (resid 101 and name HN) (resid 100 and name HA) 1.8 0.0 1.7

assign (resid 101 and name HN) (resid 100 and name HD#) 1.8 0.0 3.2



assign (resid  101 and name HA) (resid  100 and name HG) 1.8 0.0 5.2


assign (resid  101 and name HB1) (resid  99 and name HD#) 1.8 0.0 4.2
assign (resid  101 and name HB2) (resid  99 and name HD#) 1.8 0.0 4.2



assign (resid 101 and name HE1) (resid 99 and name HG) 1.8 0.0 3.2   !201512






!S102

!intra

assign (resid 102 and name HN) (resid 102 and name HB1) 1.8 0.0 3.2
assign (resid 102 and name HN) (resid 102 and name HB2) 1.8 0.0 3.2

!inter



assign (resid 102 and name HN) (resid 101 and name HA) 1.8 0.0 3.2

assign (resid 102 and name HN) (resid 101 and name HN) 1.8 0.0 3.2

assign (resid 102 and name HN) (resid 101 and name HB#) 1.8 0.0 3.2

assign (resid 102 and name HN) (resid 101 and name HE1) 1.8 0.0 5.2

!! assign (resid 102 and name HN) (resid 108 and name HB2) 1.8 0.0 3.2   !201512


assign (resid 102 and name HN) (resid 86 and name HB2) 1.8 0.0 4.2   !201512





!D103


!intra

assign (resid 103 and name HN) (resid 103 and name HA) 1.8 0.0 1.1

assign (resid 103 and name HN) (resid 103 and name HB1) 1.8 0.0 3.2
assign (resid 103 and name HN) (resid 103 and name HB2) 1.8 0.0 3.2


!inter

assign (resid 103 and name HN) (resid 101 and name HA) 1.8 0.0 4.2

assign (resid 103 and name HN) (resid 101 and name HB1) 1.8 0.0 4.2
assign (resid 103 and name HN) (resid 101 and name HB2) 1.8 0.0 4.2

assign (resid 103 and name HN) (resid 102 and name HN) 1.8 0.0 3.2

assign (resid 103 and name HN) (resid 101 and name HB#) 1.8 0.0 3.2   !201512

! assign (resid 103 and name HN) (resid 104 and name HN) 1.8 0.0 1.7  ! repeated

assign (resid 103 and name HN) (resid 105 and name HA) 1.8 0.0 7.2

assign (resid 103 and name HN) (resid 106 and name HN) 1.8 0.0 5.2


!! assign (resid 103 and name HE1) (resid 146 and name HD#) 1.8 0.0 3.2   !cross
!! assign (resid 103 and name HE1) (resid 146 and name HE#) 1.8 0.0 3.2   !cross





!E104

!intra

assign (resid 104 and name HN) (resid 104 and name HB1) 1.8 0.0 1.7
assign (resid 104 and name HN) (resid 104 and name HB2) 1.8 0.0 1.7

assign (resid 104 and name HN) (resid 104 and name HG#) 1.8 0.0 3.2   !201512

assign (resid 104 and name HN) (resid 104 and name HA) 1.8 0.0 1.7   !201512

!inter

assign (resid 104 and name HN) (resid 59 and name HG#) 1.8 0.0 8.2   !201512

assign (resid 104 and name HN) (resid 103 and name HN) 1.8 0.0 3.2

assign (resid 104 and name HN) (resid 103 and name HA) 1.8 0.0 1.7

assign (resid 104 and name HN) (resid 105 and name HN) 1.8 0.0 1.7

assign (resid 104 and name HN) (resid 103 and name HB1) 1.8 0.0 1.7
assign (resid 104 and name HN) (resid 103 and name HB2) 1.8 0.0 3.2

assign (resid 104 and name HN) (resid 107 and name HD#) 1.8 0.0 4.2   !201512



assign (resid 104 and name HA) (resid 59 and name HG#) 1.8 0.0 7.2   !201512

assign (resid 104 and name HA) (resid 107 and name HD2#) 1.8 0.0 1.7   !201512

assign (resid 104 and name HA) (resid 107 and name HD1#) 1.8 0.0 3.2   !201512







!H105

!intra

assign (resid 105 and name HN) (resid 105 and name HA) 1.8 0.0 1.1

assign (resid 105 and name HN) (resid 105 and name HB#) 1.8 0.0 1.1

assign (resid 105 and name HN) (resid 105 and name HD2) 1.8 0.0 3.2

assign (resid 105 and name HA) (resid 105 and name HB#) 1.8 0.0 1.7

assign (resid 105 and name HA) (resid 105 and name HD2) 1.8 0.0 3.2

assign (resid 105 and name HB#) (resid 105 and name HD2) 1.8 0.0 3.2


assign (resid 105 and name HD2) (resid 105 and name HE1) 1.8 0.0 3.2


!inter

assign (resid 105 and name HN) (resid 104 and name HA) 1.8 0.0 3.2   !201512

assign (resid 105 and name HN) (resid 104 and name HB1) 1.8 0.0 3.2
assign (resid 105 and name HN) (resid 104 and name HB2) 1.8 0.0 3.2

assign (resid 105 and name HN) (resid 104 and name HG#) 1.8 0.0 3.2

assign (resid 105 and name HN) (resid 106 and name HN) 1.8 0.0 1.1

assign (resid 105 and name HN) (resid 108 and name HB#) 1.8 0.0 4.2

assign (resid 105 and name HN) (resid 108 and name HD#) 1.8 0.0 4.2



assign (resid 105 and name HA) (resid 108 and name HB1) 1.8 0.0 4.2
assign (resid 105 and name HA) (resid 108 and name HB2) 1.8 0.0 4.2

assign (resid 105 and name HA) (resid 108 and name HD#) 1.8 0.0 4.2








!Q106

!intra

assign (resid 106 and name HN) (resid 106 and name HA) 1.8 0.0 1.1

assign (resid 106 and name HN) (resid 106 and name HB1) 1.8 0.0 1.7
assign (resid 106 and name HN) (resid 106 and name HB2) 1.8 0.0 1.7

assign (resid 106 and name HN) (resid 106 and name HG1) 1.8 0.0 3.2
assign (resid 106 and name HN) (resid 106 and name HG2) 1.8 0.0 3.2



!inter

assign (resid 106 and name HN) (resid 103 and name HA) 1.8 0.0 4.2

assign (resid 106 and name HN) (resid 104 and name HN) 1.8 0.0 3.2

assign (resid 106 and name HN) (resid 105 and name HB#) 1.8 0.0 1.7

assign (resid 106 and name HN) (resid 105 and name HD2) 1.8 0.0 3.2

assign (resid 106 and name HN) (resid 105 and name HA) 1.8 0.0 1.7

assign (resid 106 and name HN) (resid 108 and name HN) 1.8 0.0 3.2

assign (resid 106 and name HN) (resid 109 and name HN) 1.8 0.0 3.2

assign (resid 106 and name HN) (resid 109 and name HG2#) 1.8 0.0 4.2






!L107

!intra

assign (resid 107 and name HN) (resid 107 and name HA) 1.8 0.0 1.1

assign (resid 107 and name HN) (resid 107 and name HB#) 1.8 0.0 1.7

assign (resid 107 and name HN) (resid 107 and name HD1#) 1.8 0.0 3.2
assign (resid 107 and name HN) (resid 107 and name HD2#) 1.8 0.0 3.2


!inter

assign (resid 107 and name HN) (resid 105 and name HA) 1.8 0.0 3.2

assign (resid 107 and name HN) (resid 106 and name HN) 1.8 0.0 1.7

assign (resid 107 and name HN) (resid 106 and name HA) 1.8 0.0 1.7

assign (resid 107 and name HN) (resid 106 and name HB1) 1.8 0.0 3.2
assign (resid 107 and name HN) (resid 106 and name HB2) 1.8 0.0 3.2

assign (resid 107 and name HN) (resid 106 and name HG#) 1.8 0.0 3.2

assign (resid 107 and name HN) (resid 108 and name HN) 1.8 0.0 1.7

assign (resid 107 and name HN) (resid 109 and name HG2#) 1.8 0.0 4.2


assign (resid 107 and name HA) (resid 109 and name HB) 1.8 0.0 3.2   !!!lan



assign (resid 107 and name HB#) (resid 109 and name HB) 1.8 0.0 4.2   !!!lan

assign (resid 107 and name HB#) (resid 101 and name HE1) 1.8 0.0 5.2   !201512



assign (resid 107 and (name HD1# or name HD2#)) (resid 101 and name HD2) 1.8 0.0 7.2   !201512

assign (resid 107 and (name HD1# or name HD2#)) (resid 101 and name HE1) 1.8 0.0 5.2   !201512

!! assign (resid 107 and (name HD1# or name HD2#)) (resid 158 and name HA) 1.8 0.0 7.2   !201512



!L108


!intra


assign (resid 108 and name HN) (resid 108 and name HA) 1.8 0.0 1.1

assign (resid 108 and name HN) (resid 108 and name HB#) 1.8 0.0 1.7

assign (resid 108 and name HN) (resid 108 and name HG) 1.8 0.0 3.2   !201512

assign (resid 108 and name HN) (resid 108 and name HD#) 1.8 0.0 1.7

assign (resid 108 and name HA) (resid 108 and name HB1) 1.8 0.0 3.2
assign (resid 108 and name HA) (resid 108 and name HB2) 1.8 0.0 1.7

assign (resid 108 and name HA) (resid 108 and name HG) 1.8 0.0 3.2

assign (resid 108 and name HA) (resid 108 and name HD#) 1.8 0.0 1.7

assign (resid 108 and name HB1) (resid 108 and name HD#) 1.8 0.0 1.7
assign (resid 108 and name HB2) (resid 108 and name HD#) 1.8 0.0 1.7





!inter

!! assign (resid 108 and name HN) (resid 64 and name HA) 1.8 0.0 6.2   !201512

assign (resid 108 and name HN) (resid 105 and name HN) 1.8 0.0 4.2

assign (resid 108 and name HN) (resid 105 and name HA) 1.8 0.0 3.2

assign (resid 108 and name HN) (resid 106 and name HA) 1.8 0.0 3.2

assign (resid 108 and name HN) (resid 107 and name HN) 1.8 0.0 1.7

assign (resid 108 and name HN) (resid 107 and name HA) 1.8 0.0 3.2

assign (resid 108 and name HN) (resid 107 and name HD1#) 1.8 0.0 3.2
assign (resid 108 and name HN) (resid 107 and name HD2#) 1.8 0.0 3.2

assign (resid 108 and name HN) (resid 107 and name HG) 1.8 0.0 3.2   !201512

assign (resid 108 and name HN) (resid 107 and name HB#) 1.8 0.0 3.2   !201512

assign (resid 108 and name HN) (resid 109 and name HN) 1.8 0.0 1.7

assign (resid 108 and name HN) (resid 109 and name HG2#) 1.8 0.0 4.2

assign (resid 108 and name HN) (resid 110 and name HN) 1.8 0.0 3.2



assign (resid 108 and name HD#) (resid 105 and name HA) 1.8 0.0 3.2   !201512





!T109


!intra
assign (resid 109 and name HN) (resid 109 and name HA) 1.8 0.0 1.1

assign (resid 109 and name HN) (resid 109 and name HB) 1.8 0.0 3.2

assign (resid 109 and name HN) (resid 109 and name HG2#) 1.8 0.0 1.7

assign (resid 109 and name HA) (resid 109 and name HG2#) 1.8 0.0 1.7

assign (resid 109 and name HB) (resid 109 and name HG2#) 1.8 0.0 1.7


!inter


!! assign (resid 109 and name HN) (resid 59 and name HA) 1.8 0.0 6.2   !201512

!! assign (resid 109 and name HN) (resid 64 and name HA) 1.8 0.0 8.2   !201512

assign (resid 109 and name HN) (resid 105 and name HA) 1.8 0.0 4.2

assign (resid 109 and name HN) (resid 106 and name HA) 1.8 0.0 3.2

assign (resid 109 and name HN) (resid 107 and name HA) 1.8 0.0 3.2

assign (resid 109 and name HN) (resid 108 and name HA) 1.8 0.0 1.7

assign (resid 109 and name HN) (resid 108 and name HB1) 1.8 0.0 3.2
assign (resid 109 and name HN) (resid 108 and name HB2) 1.8 0.0 3.2

assign (resid 109 and name HN) (resid 108 and name HD#) 1.8 0.0 3.2

assign (resid 109 and name HN) (resid 108 and name HG) 1.8 0.0 4.2

assign (resid 109 and name HN) (resid 110 and name HN) 1.8 0.0 1.1


!!@ assign (resid 109 and name HA) (resid 57 and name HD#) 1.8 0.0 9.2   !201512

assign (resid 109 and name HB) (resid 57 and name HD#) 1.8 0.0 8.2   !201512



!N110

!intra
assign (resid 110 and name HN) (resid 110 and name HB#) 1.8 0.0 1.7

assign (resid 110 and name HN) (resid 110 and name HA) 1.8 0.0 1.7

assign (resid 110 and name HB#) (resid 110 and name HA) 1.8 0.0 3.2

!inter

assign (resid 110 and name HN) (resid 57 and name HD#) 1.8 0.0 8.2   !201512

assign (resid 110 and name HN) (resid 106 and name HA) 1.8 0.0 3.2

assign (resid 110 and name HN) (resid 107 and name HA) 1.8 0.0 3.2

assign (resid 110 and name HN) (resid 108 and name HA) 1.8 0.0 3.2

assign (resid 110 and name HN) (resid 109 and name HA) 1.8 0.0 1.7

assign (resid 110 and name HN) (resid 109 and name HB) 1.8 0.0 3.2

assign (resid 110 and name HN) (resid 109 and name HN) 1.8 0.0 1.1

assign (resid 110 and name HN) (resid 109 and name HG2#) 1.8 0.0 3.2

assign (resid 110 and name HN) (resid 111 and name HA) 1.8 0.0 4.2   !201512

assign (resid 110 and name HN) (resid 111 and name HB1) 1.8 0.0 4.2   !201512
assign (resid 110 and name HN) (resid 111 and name HB2) 1.8 0.0 4.2   !201512

assign (resid 110 and name HN) (resid 111 and name HD1) 1.8 0.0 4.2   !201512
assign (resid 110 and name HN) (resid 111 and name HD2) 1.8 0.0 4.2   !201512


assign (resid 110 and name HB#) (resid 57 and name HD#) 1.8 0.0 6.2   !201512

assign (resid 110 and name HB#) (resid 109 and name HG2#) 1.8 0.0 3.2   !201512

assign (resid 110 and name HB#) (resid 109 and name HB) 1.8 0.0 3.2   !201512








!P111

! intra

assign (resid 111 and name HA) (resid 111 and name HB2) 1.8 0.0 1.7
assign (resid 111 and name HA) (resid 111 and name HB1) 1.8 0.0 3.2

assign (resid 111 and name HA) (resid 111 and name HD#) 1.8 0.0 3.2

! inter



assign (resid 111 and name HA) (resid 107 and name HD1#) 1.8 0.0 1.7   !201512
assign (resid 111 and name HA) (resid 107 and name HD2#) 1.8 0.0 3.2   !201512

assign (resid 111 and name HB1) (resid 107 and name HD#) 1.8 0.0 3.2   !201512
assign (resid 111 and name HB2) (resid 107 and name HD#) 1.8 0.0 3.2   !201512



!K112

!intra

assign (resid 112 and name HN) (resid 112 and name HA) 1.8 0.0 1.1

assign (resid 112 and name HN) (resid 112 and name HB#) 1.8 0.0 1.7

assign (resid 112 and name HN) (resid 112 and name HD#) 1.8 0.0 3.2

assign (resid 112 and name HN) (resid 112 and name HG#) 1.8 0.0 3.2

assign (resid 112 and name HA) (resid 112 and name HD#) 1.8 0.0 3.2

assign (resid 112 and name HA) (resid 112 and name HB#) 1.8 0.0 3.2

assign (resid 112 and name HA) (resid 112 and name HG#) 1.8 0.0 3.2


!inter

!!!!! assign (resid 112 and name HN) (resid 70 and name HB#) 1.8 0.0 6.2

assign (resid 112 and name HN) (resid 107 and name HD#) 1.8 0.0 3.2

assign (resid 112 and name HN) (resid 109 and name HA) 1.8 0.0 7.2   !201512

assign (resid 112 and name HN) (resid 110 and name HA) 1.8 0.0 4.2

assign (resid 112 and name HN) (resid 111 and name HA) 1.8 0.0 1.7

assign (resid 112 and name HN) (resid 111 and name HB2) 1.8 0.0 3.2
assign (resid 112 and name HN) (resid 111 and name HB1) 1.8 0.0 3.2

assign (resid 112 and name HN) (resid 113 and name HN) 1.8 0.0 4.2

assign (resid 112 and name HN) (resid 113 and name HB#) 1.8 0.0 4.2

assign (resid 112 and name HN) (resid 115 and name HN) 1.8 0.0 5.2

assign (resid 112 and name HN) (resid 116 and name HD1#) 1.8 0.0 6.2

assign (resid 112 and name HN) (resid 118 and name HD#) 1.8 0.0 9.2


  

assign (resid 112 and name HA) (resid 62 and name HA) 1.8 0.0 7.2   !201512

assign (resid 112 and name HA) (resid 107 and name HD#) 1.8 0.0 5.2       

assign (resid 112 and name HA) (resid 115 and name HD#) 1.8 0.0 6.2








!C113


!intra

assign (resid 113 and name HN) (resid 113 and name HA) 1.8 0.0 1.7

assign (resid 113 and name HN) (resid 113 and name HB1) 1.8 0.0 3.2
assign (resid 113 and name HN) (resid 113 and name HB2) 1.8 0.0 3.2

assign (resid 113 and name HB1) (resid 113 and name HA) 1.8 0.0 3.2
assign (resid 113 and name HB2) (resid 113 and name HA) 1.8 0.0 3.2


!inter

!!!! assign (resid 113 and name HN) (resid 77 and name HD#) 1.8 0.0 6.2

assign (resid 113 and name HN) (resid 84 and name HB1) 1.8 0.0 6.2   !201512
assign (resid 113 and name HN) (resid 84 and name HB2) 1.8 0.0 6.2   !201512

assign (resid 113 and name HN) (resid 85 and name HG1#) 1.8 0.0 8.2   !201512
assign (resid 113 and name HN) (resid 85 and name HG2#) 1.8 0.0 8.2   !201512


assign (resid 113 and name HN) (resid 107 and name HD#) 1.8 0.0 5.2

! assign (resid 113 and name HN) (resid 108 and name HD#) 1.8 0.0 6.2

! assign (resid 113 and name HN) (resid 109 and name HG2#) 1.8 0.0 6.2

assign (resid 113 and name HN) (resid 112 and name HA) 1.8 0.0 1.7

assign (resid 113 and name HN) (resid 112 and name HB#) 1.8 0.0 3.2

assign (resid 113 and name HN) (resid 112 and name HD#) 1.8 0.0 4.2

assign (resid 113 and name HN) (resid 112 and name HG#) 1.8 0.0 3.2

assign (resid 113 and name HN) (resid 115 and name HN) 1.8 0.0 3.2

assign (resid 113 and name HN) (resid 115 and name HD#) 1.8 0.0 3.2

assign (resid 113 and name HN) (resid 115 and name HN) 1.8 0.0 3.2   !201512



assign (resid 113 and name HA) (resid 99 and name HD#) 1.8 0.0 8.2   !201512

assign (resid 113 and name HA) (resid 111 and name HB#) 1.8 0.0 6.2



assign (resid 113 and name HB#) (resid 112 and name HG#) 1.8 0.0 5.2

assign (resid 113 and name HB1) (resid 115 and name HN) 1.8 0.0 4.2
assign (resid 113 and name HB2) (resid 115 and name HN) 1.8 0.0 4.2

assign (resid 113 and name HB#) (resid 115 and name HB#) 1.8 0.0 5.2




!S114

!intra

assign (resid 114 and name HN) (resid 114 and name HA) 1.8 0.0 1.7

assign (resid 114 and name HN) (resid 114 and name HB#) 1.8 0.0 3.2

assign (resid 114 and name HB#) (resid 114 and name HA) 1.8 0.0 1.7


!inter


!assign (resid 114 and name HN) (resid 84 and name HB1) 1.8 0.0 6.2

assign (resid 114 and name HN) (resid 118 and name HD#) 1.8 0.0 6.2

assign (resid 114 and name HN) (resid 115 and name HB#) 1.8 0.0 4.2

assign (resid 114 and name HN) (resid 115 and name HD#) 1.8 0.0 4.2

! assign (resid 114 and name HN) (resid 116 and name HG2#) 1.8 0.0 6.2

assign (resid 114 and name HN) (resid 116 and name HD1#) 1.8 0.0 5.2


assign (resid 114 and name HN) (resid 113 and name HN) 1.8 0.0 3.2

assign (resid 114 and name HN) (resid 113 and name HA) 1.8 0.0 3.2

assign (resid 114 and name HN) (resid 113 and name HB1) 1.8 0.0 3.2
assign (resid 114 and name HN) (resid 113 and name HB2) 1.8 0.0 3.2

assign (resid 114 and name HN) (resid 115 and name HN) 1.8 0.0 3.2



! assign (resid 114 and name HB#) (resid 70 and name HD#) 1.8 0.0 5.2  ! repeated


assign (resid 114 and name HB#) (resid 113 and name HB#) 1.8 0.0 4.2

assign (resid 114 and name HB#) (resid 116 and name HB) 1.8 0.0 6.2

assign (resid 114 and name HB#) (resid 116 and name HD1#) 1.8 0.0 5.2




!Y115

!intra

assign (resid 115 and name HN) (resid 115 and name HA) 1.8 0.0 1.7

assign (resid 115 and name HN) (resid 115 and name HB2) 1.8 0.0 3.2
assign (resid 115 and name HN) (resid 115 and name HB1) 1.8 0.0 3.2

assign (resid 115 and name HA) (resid 115 and name HB2) 1.8 0.0 3.2
assign (resid 115 and name HA) (resid 115 and name HB1) 1.8 0.0 3.2

assign (resid 115 and name HA) (resid 115 and name HD#) 1.8 0.0 3.2

assign (resid 115 and name HB1) (resid 115 and name HD#) 1.8 0.0 3.2
assign (resid 115 and name HB2) (resid 115 and name HD#) 1.8 0.0 3.2

assign (resid 115 and name HE#) (resid 115 and name HA) 1.8 0.0 4.2

assign (resid 115 and name HE#) (resid 115 and name HB1) 1.8 0.0 4.2
assign (resid 115 and name HE#) (resid 115 and name HB2) 1.8 0.0 4.2



!inter

assign (resid 115 and name HN) (resid 118 and name HD#) 1.8 0.0 4.2


assign (resid 115 and name HN) (resid 117 and name HD#) 1.8 0.0 5.2

assign (resid 115 and name HN) (resid 116 and name HD1#) 1.8 0.0 4.2

assign (resid 115 and name HN) (resid 113 and name HA) 1.8 0.0 4.2

assign (resid 115 and name HN) (resid 113 and name HB#) 1.8 0.0 4.2

assign (resid 115 and name HN) (resid 114 and name HA) 1.8 0.0 3.2

assign (resid 115 and name HN) (resid 114 and name HB#) 1.8 0.0 3.2

! assign (resid 115 and name HN) (resid 114 and name HN) 1.8 0.0 1.7  ! repeated




assign (resid 115 and name HE#) (resid 113 and name HA) 1.8 0.0 5.2

assign (resid 115 and name HE#) (resid 113 and name HB#) 1.8 0.0 5.2

assign (resid 115 and name HE#) (resid 118 and name HD#) 1.8 0.0 6.2




!I116

!intra

assign (resid 116 and name HN) (resid 116 and name HA) 1.8 0.0 1.7

assign (resid 116 and name HN) (resid 116 and name HB) 1.8 0.0 3.2

assign (resid 116 and name HN) (resid 116 and name HG2#) 1.8 0.0 3.2

assign (resid 116 and name HA) (resid 116 and name HB) 1.8 0.0 3.2

assign (resid 116 and name HA) (resid 116 and name HG2#) 1.8 0.0 3.2

assign (resid 116 and name HA) (resid 116 and name HD1#) 1.8 0.0 3.2

assign (resid 116 and name HB) (resid 116 and name HA) 1.8 0.0 3.2

assign (resid 116 and name HB) (resid 116 and name HG2#) 1.8 0.0 1.7

assign (resid 116 and name HN) (resid 116 and name HG11) 1.8 0.0 3.2   !201512
assign (resid 116 and name HN) (resid 116 and name HG12) 1.8 0.0 3.2   !201512


assign (resid 116 and name HB) (resid 116 and name HG11) 1.8 0.0 3.2   !201512
assign (resid 116 and name HB) (resid 116 and name HG12) 1.8 0.0 3.2   !201512

!inter

assign (resid 116 and name HN) (resid 112 and name HA) 1.8 0.0 6.2   !201512

assign (resid 116 and name HN) (resid 112 and name HB#) 1.8 0.0 6.2

assign (resid 116 and name HN) (resid 114 and name HA) 1.8 0.0 4.2

assign (resid 116 and name HN) (resid 114 and name HG) 1.8 0.0 4.2

assign (resid 116 and name HN) (resid 115 and name HB1) 1.8 0.0 3.2
assign (resid 116 and name HN) (resid 115 and name HB2) 1.8 0.0 5.2

assign (resid 116 and name HN) (resid 115 and name HD#) 1.8 0.0 4.2

assign (resid 116 and name HN) (resid 115 and name HN) 1.8 0.0 3.2

assign (resid 116 and name HN) (resid 115 and name HA) 1.8 0.0 1.7

!! assign (resid 116 and name HN) (resid 166 and name HB#) 1.8 0.0 8.2   !201512



assign (resid 116 and name HA) (resid 114 and name HA) 1.8 0.0 5.2

assign (resid 116 and name HB) (resid 114 and name HG) 1.8 0.0 6.2







!P117






!P118

! intra

assign (resid 118 and name HA) (resid 118 and name HB#) 1.8 0.0 1.7

assign (resid 118 and name HA) (resid 118 and name HD1) 1.8 0.0 3.2
assign (resid 118 and name HA) (resid 118 and name HD2) 1.8 0.0 3.2

assign (resid 118 and name HA) (resid 118 and name HG#) 1.8 0.0 3.2

assign (resid 118 and name HB#) (resid 118 and name HG#) 1.8 0.0 1.7

assign (resid 118 and name HB#) (resid 118 and name HD#) 1.8 0.0 3.2


! inter


assign (resid 118 and name HB#) (resid 115 and name HE#) 1.8 0.0 6.2

assign (resid 118 and name HB#) (resid 116 and name HN) 1.8 0.0 6.2

assign (resid 118 and name HB#) (resid 120 and name HG#) 1.8 0.0 5.2



!C119

!intra

assign (resid 119 and name HN) (resid 119 and name HA) 1.8 0.0 1.1

assign (resid 119 and name HN) (resid 119 and name HB1) 1.8 0.0 3.2
assign (resid 119 and name HN) (resid 119 and name HB2) 1.8 0.0 1.7

assign (resid 119 and name HA) (resid 119 and name HB1) 1.8 0.0 3.2
assign (resid 119 and name HA) (resid 119 and name HB2) 1.8 0.0 3.2


!inter

assign (resid 119 and name HN) (resid 97 and name HG2#) 1.8 0.0 6.2   !201512

assign (resid 119 and name HN) (resid 116 and name HG2#) 1.8 0.0 7.2   !201512

assign (resid 119 and name HN) (resid 118 and name HD1) 1.8 0.0 4.2
assign (resid 119 and name HN) (resid 118 and name HD2) 1.8 0.0 4.2

assign (resid 119 and name HN) (resid 118 and name HA) 1.8 0.0 1.1

assign (resid 119 and name HN) (resid 118 and name HB#) 1.8 0.0 3.2

assign (resid 119 and name HN) (resid 118 and name HG#) 1.8 0.0 3.2

assign (resid 119 and name HN) (resid 120 and name HN) 1.8 0.0 3.2

assign (resid 119 and name HN) (resid 120 and name HG#) 1.8 0.0 4.2










!K120


!intra
assign (resid 120 and name HN) (resid 120 and name HA) 1.8 0.0 1.7

assign (resid 120 and name HN) (resid 120 and name HB1) 1.8 0.0 3.2
assign (resid 120 and name HN) (resid 120 and name HB2) 1.8 0.0 3.2

assign (resid 120 and name HN) (resid 120 and name HG1) 1.8 0.0 3.2
assign (resid 120 and name HN) (resid 120 and name HG2) 1.8 0.0 3.2

assign (resid 120 and name HA) (resid 120 and name HB1) 1.8 0.0 1.7
assign (resid 120 and name HA) (resid 120 and name HB2) 1.8 0.0 3.2

assign (resid 120 and name HA) (resid 120 and name HG2) 1.8 0.0 3.2
assign (resid 120 and name HA) (resid 120 and name HG1) 1.8 0.0 3.2


!inter

assign (resid 120 and name HN) (resid 119 and name HB2) 1.8 0.0 3.2
assign (resid 120 and name HN) (resid 119 and name HB1) 1.8 0.0 3.2

assign (resid 120 and name HN) (resid 119 and name HA) 1.8 0.0 1.1

assign (resid 120 and name HN) (resid 123 and name HD2#) 1.8 0.0 6.2










!R121

!intra
assign (resid 121 and name HN) (resid 121 and name HA) 1.8 0.0 1.1

assign (resid 121 and name HN) (resid 121 and name HB2) 1.8 0.0 1.7
assign (resid 121 and name HN) (resid 121 and name HB1) 1.8 0.0 1.7

assign (resid 121 and name HN) (resid 121 and name HG#) 1.8 0.0 3.2

assign (resid 121 and name HN) (resid 121 and name HE#) 1.8 0.0 3.2

assign (resid 121 and name HB1) (resid 121 and name HA) 1.8 0.0 3.2
assign (resid 121 and name HB2) (resid 121 and name HA) 1.8 0.0 3.2


!inter

assign (resid 121 and name HN) (resid 120 and name HA) 1.8 0.0 1.1

assign (resid 121 and name HN) (resid 120 and name HB1) 1.8 0.0 3.2
assign (resid 121 and name HN) (resid 120 and name HB2) 1.8 0.0 3.2

assign (resid 121 and name HN) (resid 120 and name HN) 1.8 0.0 3.2


assign (resid 121 and name HN) (resid 98 and name HB#) 1.8 0.0 5.2   !201512






!E122

!intra

assign (resid 122 and name HN) (resid 122 and name HA) 1.8 0.0 1.1

assign (resid 122 and name HN) (resid 122 and name HG#) 1.8 0.0 3.2

assign (resid 122 and name HA) (resid 122 and name HB#) 1.8 0.0 1.7

assign (resid 122 and name HA) (resid 122 and name HG1) 1.8 0.0 1.7
assign (resid 122 and name HA) (resid 122 and name HG2) 1.8 0.0 3.2

!inter

!! assign (resid 122 and name HN) (resid 86 and name HG#) 1.8 0.0 3.2   !201512

!! assign (resid 122 and name HN) (resid 88 and (name HB1 or name HB2)) 1.8 0.0 6.2   !201512

assign (resid 122 and name HN) (resid 98 and name HB#) 1.8 0.0 4.2   !201512

assign (resid 122 and name HN) (resid 121 and name HB1) 1.8 0.0 3.2
assign (resid 122 and name HN) (resid 121 and name HB2) 1.8 0.0 1.7

assign (resid 122 and name HN) (resid 121 and name HG#) 1.8 0.0 3.2

assign (resid 122 and name HN) (resid 121 and name HA) 1.8 0.0 1.7

assign (resid 122 and name HN) (resid 123 and name HN) 1.8 0.0 3.2

assign (resid 122 and name HN) (resid 123 and name HB#) 1.8 0.0 4.2

assign (resid 122 and name HN) (resid 125 and name HN) 1.8 0.0 6.2   !201512



assign (resid 122 and name HG#) (resid 99 and name HD#) 1.8 0.0 7.2   !201512

assign (resid 122 and name HG#) (resid 99 and name HG) 1.8 0.0 7.2   !201512

assign (resid 122 and name HG#) (resid 99 and name HN) 1.8 0.0 6.2   !201512




!N123

!intra

assign (resid 123 and name HN) (resid 123 and name HB#) 1.8 0.0 1.7

assign (resid 123 and name HN) (resid 123 and name HA) 1.8 0.0 3.2

assign (resid 123 and name HB#) (resid 123 and name HA) 1.8 0.0 1.7

assign (resid 123 and name HD21) (resid 123 and name HB#) 1.8 0.0 1.7
assign (resid 123 and name HD22) (resid 123 and name HB#) 1.8 0.0 1.7

!inter

assign (resid 123 and name HN) (resid 122 and name HA) 1.8 0.0 1.7

assign (resid 123 and name HN) (resid 122 and name HB#) 1.8 0.0 3.2

assign (resid 123 and name HN) (resid 122 and name HG1) 1.8 0.0 3.2
assign (resid 123 and name HN) (resid 122 and name HG2) 1.8 0.0 3.2






!Q124

!intra

assign (resid 124 and name HN) (resid 124 and name HA) 1.8 0.0 1.1

assign (resid 124 and name HN) (resid 124 and name HB#) 1.8 0.0 1.7

assign (resid 124 and name HA) (resid 124 and name HN) 1.8 0.0 3.2   !201512

assign (resid 124 and name HB#) (resid 124 and name HN) 1.8 0.0 3.2   !201512

assign (resid 124 and name HG#) (resid 124 and name HN) 1.8 0.0 3.2   !201512


!inter

assign (resid 124 and name HN) (resid 123 and name HN) 1.8 0.0 1.7

assign (resid 124 and name HN) (resid 123 and name HA) 1.8 0.0 1.7

assign (resid 124 and name HN) (resid 123 and name HB#) 1.8 0.0 1.7

assign (resid 124 and name HN) (resid 123 and name HD2#) 1.8 0.0 1.7

assign (resid 124 and name HA) (resid 125 and name HN) 1.8 0.0 3.2   !201512

assign (resid 124 and name HB#) (resid 125 and name HN) 1.8 0.0 3.2   !201512

assign (resid 124 and name HG#) (resid 125 and name HN) 1.8 0.0 3.2   !201512




!K125

!intra

assign (resid 125 and name HN) (resid 125 and name HA) 1.8 0.0 1.1

assign (resid 125 and name HN) (resid 125 and name HB#) 1.8 0.0 1.7

assign (resid 125 and name HN) (resid 125 and name HG#) 1.8 0.0 3.2

assign (resid 125 and name HN) (resid 125 and name HE#) 1.8 0.0 5.2

assign (resid 125 and name HA) (resid 125 and name HN) 1.8 0.0 3.2   !201512

assign (resid 125 and name HB#) (resid 125 and name HN) 1.8 0.0 3.2   !201512

assign (resid 125 and name HG#) (resid 125 and name HN) 1.8 0.0 3.2   !201512

assign (resid 125 and name HE#) (resid 125 and name HN) 1.8 0.0 3.2   !201512

! inter

!!@ assign (resid 125 and name HN) (resid 78 and (name HA1 or name HA2)) 1.8 0.0 8.2  

assign (resid 125 and name HN) (resid 124 and name HN) 1.8 0.0 3.2

assign (resid 125 and name HN) (resid 124 and name HA) 1.8 0.0 1.7

assign (resid 125 and name HN) (resid 124 and name HB#) 1.8 0.0 3.2

assign (resid 125 and name HN) (resid 126 and name HN) 1.8 0.0 3.2   !201512


assign (resid 125 and name HA) (resid 126 and name HN) 1.8 0.0 3.2   !201512

assign (resid 125 and name HB#) (resid 126 and name HN) 1.8 0.0 3.2   !201512

assign (resid 125 and name HG#) (resid 126 and name HN) 1.8 0.0 3.2   !201512

assign (resid 125 and name HE#) (resid 126 and name HN) 1.8 0.0 4.2   !201512




!N126

!intra

assign (resid 126 and name HB1) (resid 126 and name HN) 1.8 0.0 3.2   !201512

assign (resid 126 and name HB2) (resid 126 and name HN) 1.8 0.0 3.2   !201512

assign (resid 126 and name HA) (resid 126 and name HN) 1.8 0.0 3.2   !201512


assign (resid 126 and name HB1) (resid 126 and name HN) 1.8 0.0 3.2   !201512
assign (resid 126 and name HB2) (resid 126 and name HN) 1.8 0.0 3.2   !201512

assign (resid 126 and name HA) (resid 126 and name HN) 1.8 0.0 3.2   !201512


!inter

assign (resid 126 and name HB1) (resid 127 and name HD#) 1.8 0.0 3.2   !201512
assign (resid 126 and name HB2) (resid 127 and name HD#) 1.8 0.0 3.2   !201512



assign (resid 126 and name HB1) (resid 127 and name HN) 1.8 0.0 3.2   !201512

assign (resid 126 and name HB2) (resid 127 and name HN) 1.8 0.0 3.2   !201512

assign (resid 126 and name HA) (resid 127 and name HN) 1.8 0.0 3.2   !201512



!L127

! intra

assign (resid 127 and name HN) (resid 127 and name HA) 1.8 0.0 1.1

assign (resid 127 and name HN) (resid 127 and name HB#) 1.8 0.0 1.7

assign (resid 127 and name HN) (resid 127 and name HG#) 1.8 0.0 3.2

assign (resid 127 and name HB1) (resid 127 and name HD#) 1.8 0.0 3.2   !201512
assign (resid 127 and name HB2) (resid 127 and name HD#) 1.8 0.0 3.2   !201512

assign (resid 127 and name HB1) (resid 127 and name HA) 1.8 0.0 1.7   !201512
assign (resid 127 and name HB2) (resid 127 and name HA) 1.8 0.0 1.7   !201512

!inter

assign (resid 127 and name HN) (resid 126 and name HN) 1.8 0.0 3.2   !201512



!E128

! intra

assign (resid 128 and name HN) (resid 128 and name HA) 1.8 0.0 1.1

assign (resid 128 and name HN) (resid 128 and name HB#) 1.8 0.0 1.7

assign (resid 128 and name HN) (resid 128 and name HG#) 1.8 0.0 3.2

assign (resid 128 and name HA) (resid 128 and name HB#) 1.8 0.0 1.7   !201512

assign (resid 128 and name HA) (resid 128 and name HG#) 1.8 0.0 1.7   !201512



! inter

assign (resid 128 and name HN) (resid 127 and name HA) 1.8 0.0 1.7

assign (resid 128 and name HN) (resid 127 and name HB#) 1.8 0.0 3.2

assign (resid 128 and name HN) (resid 127 and name HD1#) 1.8 0.0 4.2
assign (resid 128 and name HN) (resid 127 and name HD2#) 1.8 0.0 4.2


assign (resid 128 and name HA) (resid 127 and name HB#) 1.8 0.0 3.2   !201512

assign (resid 128 and name HA) (resid 127 and name HD#) 1.8 0.0 3.2   !201512



!S129

!intra

assign (resid 129 and name HN) (resid 129 and name HA) 1.8 0.0 1.1

assign (resid 129 and name HN) (resid 129 and name HB#) 1.8 0.0 1.7

!inter

!! assign (resid 129 and name HN) (resid 97 and name HG#) 1.8 0.0 6.2   !201512

assign (resid 129 and name HN) (resid 125 and name HG#) 1.8 0.0 5.2

assign (resid 129 and name HN) (resid 127 and name HA) 1.8 0.0 3.2

assign (resid 129 and name HN) (resid 128 and name HB#) 1.8 0.0 3.2  !201512

assign (resid 129 and name HN) (resid 128 and name HA) 1.8 0.0 3.2   !201512

assign (resid 129 and name HN) (resid 128 and name HG#) 1.8 0.0 3.2  !201512

assign (resid 129 and name HN) (resid 132 and name HN) 1.8 0.0 4.2

assign (resid 129 and name HN) (resid 130 and name HG#) 1.8 0.0 3.2

assign (resid 129 and name HN) (resid 130 and name HN) 1.8 0.0 1.1








!V130

!intra

assign (resid 130 and name HN) (resid 130 and name HA) 1.8 0.0 1.1

assign (resid 130 and name HN) (resid 130 and name HB) 1.8 0.0 1.7

assign (resid 130 and name HN) (resid 130 and name HG1#) 1.8 0.0 3.2
assign (resid 130 and name HN) (resid 130 and name HG2#) 1.8 0.0 1.7

assign (resid 130 and name HG1#) (resid 130 and name HA) 1.8 0.0 1.7
assign (resid 130 and name HG2#) (resid 130 and name HA) 1.8 0.0 1.7

assign (resid 130 and name HG1#) (resid 130 and name HB) 1.8 0.0 1.7
assign (resid 130 and name HG2#) (resid 130 and name HB) 1.8 0.0 1.7

assign (resid 130 and name HA) (resid 130 and name HB) 1.8 0.0 3.2


!inter

!!!! assign (resid 130 and name HN) (resid 82 and name HA) 1.8 0.0 5.2

!!!! assign (resid 130 and name HN) (resid 83 and name HD#) 1.8 0.0 4.2

assign (resid 130 and name HN) (resid 129 and name HB#) 1.8 0.0 1.7

assign (resid 130 and name HN) (resid 129 and name HA) 1.8 0.0 1.7

assign (resid 130 and name HN) (resid 129 and name HN) 1.8 0.0 1.1

assign (resid 130 and name HN) (resid 131 and name HN) 1.8 0.0 1.1

assign (resid 130 and name HN) (resid 132 and name HB#) 1.8 0.0 6.2
   

assign (resid 130 and name HA) (resid 129 and name HB#) 1.8 0.0 6.2

assign (resid 130 and name HA) (resid 133 and name HB1) 1.8 0.0 3.2
assign (resid 130 and name HA) (resid 133 and name HB2) 1.8 0.0 3.2



assign (resid 130 and name HB#) (resid 127 and name HA) 1.8 0.0 4.2
 


assign (resid 130 and name HG#) (resid 127 and name HN) 1.8 0.0 4.2

assign (resid 130 and name HG#) (resid 136 and name HN) 1.8 0.0 5.2





!M131

!intra

assign (resid 131 and name HN) (resid 131 and name HA) 1.8 0.0 1.1

assign (resid 131 and name HN) (resid 131 and name HB1) 1.8 0.0 1.7
assign (resid 131 and name HN) (resid 131 and name HB2) 1.8 0.0 1.7

assign (resid 131 and name HN) (resid 131 and name HG#) 1.8 0.0 3.2

assign (resid 131 and name HA) (resid 131 and name HB1) 1.8 0.0 3.2
assign (resid 131 and name HA) (resid 131 and name HB2) 1.8 0.0 1.7

assign (resid 131 and name HE#) (resid 131 and name HA) 1.8 0.0 3.2

assign (resid 131 and name HA) (resid 131 and name HG#) 1.8 0.0 3.2

assign (resid 131 and name HE#) (resid 131 and name HG#) 1.8 0.0 3.2

assign (resid 131 and name HB1) (resid 131 and name HG#) 1.8 0.0 3.2
assign (resid 131 and name HB2) (resid 131 and name HG#) 1.8 0.0 3.2

!inter



assign (resid 131 and name HN) (resid 129 and name HN) 1.8 0.0 3.2

assign (resid 131 and name HN) (resid 130 and name HB) 1.8 0.0 3.2

assign (resid 131 and name HN) (resid 130 and name HN) 1.8 0.0 1.1

assign (resid 131 and name HN) (resid 130 and name HA) 1.8 0.0 3.2

assign (resid 131 and name HN) (resid 130 and name HG1#) 1.8 0.0 3.2
assign (resid 131 and name HN) (resid 130 and name HG2#) 1.8 0.0 3.2

assign (resid 131 and name HN) (resid 132 and name HN) 1.8 0.0 1.7



assign (resid 131 and name HE#) (resid 132 and name HA) 1.8 0.0 6.2

assign (resid 131 and name HE#) (resid 132 and name HB#) 1.8 0.0 5.2

assign (resid 131 and name HE#) (resid 130 and name HA) 1.8 0.0 5.2

assign (resid 131 and name HE#) (resid 135 and name HB1) 1.8 0.0 1.7   !201512 

assign (resid 131 and name HE#) (resid 135 and name HB2) 1.8 0.0 1.7   !201512 

assign (resid 131 and name HE#) (resid 135 and name HG#) 1.8 0.0 1.7   !201512 




!N132

!intra

assign (resid 132 and name HN) (resid 132 and name HA) 1.8 0.0 1.1

assign (resid 132 and name HN) (resid 132 and name HB1) 1.8 0.0 1.7
assign (resid 132 and name HN) (resid 132 and name HB2) 1.8 0.0 1.7

assign (resid 132 and name HB2) (resid 132 and name HA) 1.8 0.0 1.1
assign (resid 132 and name HB1) (resid 132 and name HA) 1.8 0.0 1.7


!inter


assign (resid 132 and name HN) (resid 130 and name HA) 1.8 0.0 3.2

assign (resid 132 and name HN) (resid 130 and name HN) 1.8 0.0 3.2

assign (resid 132 and name HN) (resid 130 and name HG#) 1.8 0.0 6.2

assign (resid 132 and name HN) (resid 131 and name HB1) 1.8 0.0 1.7
assign (resid 132 and name HN) (resid 131 and name HB2) 1.8 0.0 3.2

assign (resid 132 and name HN) (resid 131 and name HA) 1.8 0.0 1.7

assign (resid 132 and name HN) (resid 131 and name HN) 1.8 0.0 1.7

assign (resid 132 and name HN) (resid 133 and name HD1) 1.8 0.0 6.2

assign (resid 132 and name HN) (resid 134 and name HE2#) 1.8 0.0 5.2




assign (resid 132 and name HA) (resid 131 and name HB#) 1.8 0.0 4.2

assign (resid 132 and name HA) (resid 134 and name HE2#) 1.8 0.0 4.2





!W133

!intra

assign (resid 133 and name HN) (resid 133 and name HB1) 1.8 0.0 1.7
assign (resid 133 and name HN) (resid 133 and name HB2) 1.8 0.0 1.7

assign (resid 133 and name HN) (resid 133 and name HD1) 1.8 0.0 4.2

assign (resid 133 and name HN) (resid 133 and name HA) 1.8 0.0 1.7

assign (resid 133 and name HA) (resid 133 and name HB1) 1.8 0.0 3.2
assign (resid 133 and name HA) (resid 133 and name HB2) 1.8 0.0 3.2

assign (resid 133 and name HA) (resid 133 and name HD1) 1.8 0.0 3.2

assign (resid 133 and name HB1) (resid 133 and name HD1) 1.8 0.0 3.2
assign (resid 133 and name HB2) (resid 133 and name HD1) 1.8 0.0 3.2


assign (resid 133 and name HE3) (resid 133 and name HZ3) 1.8 0.0 3.2   !201512 

assign (resid 133 and name HH2) (resid 133 and name HZ3) 1.8 0.0 3.2   !201512 



!inter

assign (resid 133 and name HN) (resid 129 and name HA) 1.8 0.0 4.2

assign (resid 133 and name HN) (resid 130 and name HA) 1.8 0.0 3.2

assign (resid 133 and name HN) (resid 130 and (name HG1# or name HG2#)) 1.8 0.0 4.2   !201512 

assign (resid 133 and name HN) (resid 131 and name HA) 1.8 0.0 3.2

assign (resid 133 and name HN) (resid 132 and name HB1) 1.8 0.0 1.7
assign (resid 133 and name HN) (resid 132 and name HB2) 1.8 0.0 3.2

assign (resid 133 and name HN) (resid 132 and name HA) 1.8 0.0 3.2

assign (resid 133 and name HN) (resid 132 and name HN) 1.8 0.0 1.7

assign (resid 133 and name HN) (resid 134 and name HB#) 1.8 0.0 6.2

assign (resid 133 and name HN) (resid 134 and name HN) 1.8 0.0 1.7

assign (resid 133 and name HN) (resid 134 and name HE2#) 1.8 0.0 5.2


assign (resid 133 and name HA) (resid 136 and name HB#) 1.8 0.0 3.2




assign (resid 133 and name HD1) (resid 59 and name HG#) 1.8 0.0 4.2   !201512 

assign (resid 133 and name HD1) (resid 130 and (name HG1# or name HG2#)) 1.8 0.0 4.2   !201512 




assign (resid 133 and name HE3) (resid 59 and name HG#) 1.8 0.0 7.2   !201512 

assign (resid 133 and name HE3) (resid 130 and (name HG1# or name HG2#)) 1.8 0.0 4.2   !201512 

assign (resid 133 and name HE3) (resid 136 and name HA) 1.8 0.0 7.2   !201512 



assign (resid 133 and name HZ3) (resid 87 and name HG#) 1.8 0.0 4.2   !201512 

assign (resid 133 and name HZ3) (resid 130 and (name HG1# or name HG2#)) 1.8 0.0 5.2   !201512 


!!!@ assign (resid 133 and name HH2) (resid 84 and name HB#) 1.8 0.0 8.2   !201512 

assign (resid 133 and name HH2) (resid 87 and name HG#) 1.8 0.0 3.2   !201512 

!! assign (resid 133 and name HH2) (resid 113 and name HB#) 1.8 0.0 3.2   !201512 

assign (resid 133 and name HH2) (resid 130 and (name HG1# or name HG2#)) 1.8 0.0 5.5   !201512 








!Q134

!intra

assign (resid 134 and name HN) (resid 134 and name HB#) 1.8 0.0 1.7

assign (resid 134 and name HN) (resid 134 and name HE21) 1.8 0.0 3.2
assign (resid 134 and name HN) (resid 134 and name HE22) 1.8 0.0 4.2

assign (resid 134 and name HN) (resid 134 and name HA) 1.8 0.0 1.7

assign (resid 134 and name HE21) (resid 134 and name HA) 1.8 0.0 3.2
assign (resid 134 and name HE22) (resid 134 and name HA) 1.8 0.0 4.2

assign (resid 134 and name HE21) (resid 134 and name HB#) 1.8 0.0 3.2
assign (resid 134 and name HE22) (resid 134 and name HB#) 1.8 0.0 3.2


assign (resid 134 and name HB#) (resid 134 and name HA) 1.8 0.0 3.2


!inter


assign (resid 134 and name HN) (resid 59 and name HG#) 1.8 0.0 5.2   !201512 

assign (resid 134 and name HN) (resid 130 and name HG#) 1.8 0.0 6.2

assign (resid 134 and name HN) (resid 132 and name HN) 1.8 0.0 3.2   !201512 

assign (resid 134 and name HN) (resid 133 and name HA) 1.8 0.0 1.7

assign (resid 134 and name HN) (resid 133 and name HB1) 1.8 0.0 1.7
assign (resid 134 and name HN) (resid 133 and name HB2) 1.8 0.0 3.2

assign (resid 134 and name HN) (resid 135 and name HN) 1.8 0.0 1.1


assign (resid 134 and name HN) (resid 137 and name HN) 1.8 0.0 4.2



assign (resid 134 and name HB#) (resid 59 and name HG#) 1.8 0.0 6.2    !201512 

assign (resid 134 and name HB#) (resid 130 and name HG#) 1.8 0.0 6.2

assign (resid 134 and name HB#) (resid 131 and name HA) 1.8 0.0 4.2

assign (resid 134 and name HB#) (resid 131 and name HG#) 1.8 0.0 6.2

assign (resid 134 and name HB#) (resid 133 and name HB#) 1.8 0.0 6.2

assign (resid 134 and name HB#) (resid 137 and name HE3) 1.8 0.0 7.2







!Q135

!intra

assign (resid 135 and name HN) (resid 135 and name HB1) 1.8 0.0 1.7
assign (resid 135 and name HN) (resid 135 and name HB2) 1.8 0.0 1.7

assign (resid 135 and name HN) (resid 135 and name HG#) 1.8 0.0 3.2

assign (resid 135 and name HN) (resid 135 and name HA) 1.8 0.0 1.7

assign (resid 135 and name HB1) (resid 135 and name HG#) 1.8 0.0 1.1
assign (resid 135 and name HB2) (resid 135 and name HG#) 1.8 0.0 1.1

assign (resid 135 and name HB1) (resid 135 and name HA) 1.8 0.0 1.7
assign (resid 135 and name HB2) (resid 135 and name HA) 1.8 0.0 1.7

assign (resid 135 and name HA) (resid 135 and name HG#) 1.8 0.0 3.2

!inter

assign (resid 135 and name HN) (resid 132 and name HA) 1.8 0.0 3.2

assign (resid 135 and name HN) (resid 133 and name HA) 1.8 0.0 3.2

assign (resid 135 and name HN) (resid 134 and name HA) 1.8 0.0 3.2

assign (resid 135 and name HN) (resid 134 and name HB#) 1.8 0.0 1.7

assign (resid 135 and name HN) (resid 134 and name HN) 1.8 0.0 1.7

assign (resid 135 and name HN) (resid 136 and name HN) 1.8 0.0 1.7

assign (resid 135 and name HA) (resid 140 and name HG#) 1.8 0.0 6.2




!Y136

!intra

assign (resid 136 and name HN) (resid 136 and name HA) 1.8 0.0 1.1

assign (resid 136 and name HN) (resid 136 and name HB1) 1.8 0.0 1.7
assign (resid 136 and name HN) (resid 136 and name HB2) 1.8 0.0 1.7

assign (resid 136 and name HN) (resid 136 and name HD#) 1.8 0.0 3.2

assign (resid 136 and name HA) (resid 136 and name HB1) 1.8 0.0 3.2
assign (resid 136 and name HA) (resid 136 and name HB2) 1.8 0.0 3.2

assign (resid 136 and name HA) (resid 136 and name HD#) 1.8 0.0 3.2

assign (resid 136 and name HB1) (resid 136 and name HD#) 1.8 0.0 3.2
assign (resid 136 and name HB2) (resid 136 and name HD#) 1.8 0.0 3.2

assign (resid 136 and name HE#) (resid 136 and name HA) 1.8 0.0 3.2    !201512 

assign (resid 136 and name HE#) (resid 136 and name HB1) 1.8 0.0 3.2    !201512 
assign (resid 136 and name HE#) (resid 136 and name HB2) 1.8 0.0 3.2    !201512 

!inter

assign (resid 136 and name HN) (resid 132 and name HA) 1.8 0.0 4.2

assign (resid 136 and name HN) (resid 133 and name HA) 1.8 0.0 3.2

assign (resid 136 and name HN) (resid 133 and name HD1) 1.8 0.0 6.2

assign (resid 136 and name HN) (resid 133 and name HE3) 1.8 0.0 5.2

assign (resid 136 and name HN) (resid 135 and name HB1) 1.8 0.0 3.2
assign (resid 136 and name HN) (resid 135 and name HB2) 1.8 0.0 3.2

assign (resid 136 and name HN) (resid 135 and name HA) 1.8 0.0 1.7

assign (resid 136 and name HN) (resid 135 and name HN) 1.8 0.0 1.7

assign (resid 136 and name HN) (resid 137 and name HN) 1.8 0.0 1.7

assign (resid 136 and name HN) (resid 137 and name HA) 1.8 0.0 5.2

assign (resid 136 and name HN) (resid 137 and name HD1) 1.8 0.0 6.2

assign (resid 136 and name HN) (resid 138 and name HN) 1.8 0.0 3.2

assign (resid 136 and name HN) (resid 140 and name HG#) 1.8 0.0 6.2


assign (resid 136 and name HA) (resid 140 and name HB#) 1.8 0.0 6.2

assign (resid 136 and name HA) (resid 140 and name HG#) 1.8 0.0 4.2



assign (resid 136 and name HD#) (resid 130 and name HG#) 1.8 0.0 6.2

assign (resid 136 and name HD#) (resid 137 and name HA) 1.8 0.0 3.2

assign (resid 136 and name HD#) (resid 137 and name HE3) 1.8 0.0 4.5

assign (resid 136 and name HD#) (resid 137 and name HD1) 1.8 0.0 4.2    !201512 

assign (resid 136 and name HD#) (resid 138 and name HB#) 1.8 0.0 5.2

assign (resid 136 and name HD#) (resid 140 and name HB#) 1.8 0.0 4.2

assign (resid 136 and name HD#) (resid 140 and name HB#) 1.8 0.0 4.2    !201512 

assign (resid 136 and name HD#) (resid 140 and name HG#) 1.8 0.0 3.2    !201512 

assign (resid 136 and name HD#) (resid 141 and name HG2#) 1.8 0.0 5.2

assign (resid 136 and name HD#) (resid 141 and name HD1#) 1.8 0.0 6.2



assign (resid 136 and name HE#) (resid 137 and name HE3) 1.8 0.0 6.2

assign (resid 136 and name HE#) (resid 137 and name HN) 1.8 0.0 3.2

assign (resid 136 and name HE#) (resid 141 and name HG2#) 1.8 0.0 5.2

assign (resid 136 and name HE#) (resid 137 and name HD1) 1.8 0.0 4.2    !201512 

assign (resid 136 and name HE#) (resid 137 and name HA) 1.8 0.0 3.2    !201512 

assign (resid 136 and name HE#) (resid 140 and name HB#) 1.8 0.0 3.2    !201512 

assign (resid 136 and name HE#) (resid 140 and name HG#) 1.8 0.0 3.2    !201512 

assign (resid 136 and name HE#) (resid 141 and name HD1#) 1.8 0.0 3.2    !201512 











!W137

!intra

assign (resid 137 and name HN) (resid 137 and name HA) 1.8 0.0 3.2

assign (resid 137 and name HN) (resid 137 and name HB2) 1.8 0.0 3.2
assign (resid 137 and name HN) (resid 137 and name HB1) 1.8 0.0 1.7

assign (resid 137 and name HN) (resid 137 and name HE3) 1.8 0.0 4.2

assign (resid 137 and name HA) (resid 137 and name HB1) 1.8 0.0 3.2
assign (resid 137 and name HA) (resid 137 and name HB2) 1.8 0.0 3.2

assign (resid 137 and name HA) (resid 137 and name HD1) 1.8 0.0 3.2

assign (resid 137 and name HB1) (resid 137 and name HD1) 1.8 0.0 3.2
assign (resid 137 and name HB2) (resid 137 and name HD1) 1.8 0.0 3.2

assign (resid 137 and name HB1) (resid 137 and name HE3) 1.8 0.0 3.2
assign (resid 137 and name HB2) (resid 137 and name HE3) 1.8 0.0 3.2

assign (resid 137 and name HE3) (resid 137 and name HB1) 1.8 0.0 3.2
assign (resid 137 and name HE3) (resid 137 and name HB2) 1.8 0.0 3.2

assign (resid 137 and name HE3) (resid 137 and name HD1) 1.8 0.0 3.2


!inter

assign (resid 137 and name HN) (resid 130 and (name HG1# or name HG2#)) 1.8 0.0 6.2   !201512

assign (resid 137 and name HN) (resid 133 and name HA) 1.8 0.0 4.2

assign (resid 137 and name HN) (resid 135 and name HA) 1.8 0.0 3.2

assign (resid 137 and name HN) (resid 135 and name HN) 1.8 0.0 3.2

assign (resid 137 and name HN) (resid 136 and name HA) 1.8 0.0 4.2

assign (resid 137 and name HN) (resid 136 and name HB1) 1.8 0.0 3.2
assign (resid 137 and name HN) (resid 136 and name HB2) 1.8 0.0 3.2

assign (resid 137 and name HN) (resid 136 and name HD#) 1.8 0.0 3.2

assign (resid 137 and name HN) (resid 136 and name HN) 1.8 0.0 3.2

assign (resid 137 and name HN) (resid 138 and name HN) 1.8 0.0 1.7

assign (resid 137 and name HN) (resid 141 and name HG2#) 1.8 0.0 6.2


assign (resid 137 and name HA) (resid 138 and name HG#) 1.8 0.0 5.2

assign (resid 137 and name HA) (resid 136 and name HD#) 1.8 0.0 3.2

assign (resid 137 and name HA) (resid 141 and name HD1#) 1.8 0.0 5.2

assign (resid 137 and name HA) (resid 141 and name HG2#) 1.8 0.0 4.2



assign (resid 137 and name HB#) (resid 134 and name HA) 1.8 0.0 5.2

assign (resid 137 and name HB#) (resid 138 and name HB#) 1.8 0.0 4.2

assign (resid 137 and name HB1) (resid 141 and name HG2#) 1.8 0.0 5.2
assign (resid 137 and name HB2) (resid 141 and name HG2#) 1.8 0.0 5.2



assign (resid 137 and name HE3) (resid 136 and name HA) 1.8 0.0 6.2

assign (resid 137 and name HE3) (resid 136 and name HB1) 1.8 0.0 6.2
assign (resid 137 and name HE3) (resid 136 and name HB2) 1.8 0.0 6.5

assign (resid 137 and name HE3) (resid 141 and name HG2#) 1.8 0.0 5.2




assign (resid 137 and name HD1) (resid 56 and name HN) 1.8 0.0 6.2   !201512 

assign (resid 137 and name HD1) (resid 56 and name HG1#) 1.8 0.0 3.2   !201512 

assign (resid 137 and name HD1) (resid 56 and name HG2#) 1.8 0.0 3.2   !201512 

assign (resid 137 and name HD1) (resid 100 and name HG) 1.8 0.0 7.2   !201512 

assign (resid 137 and name HD1) (resid 100 and name HB1) 1.8 0.0 6.2   !201512 
assign (resid 137 and name HD1) (resid 100 and name HB2) 1.8 0.0 6.2   !201512 

assign (resid 137 and name HD1) (resid 100 and name HD#) 1.8 0.0 4.2   !201512 




!K138

!intra

assign (resid 138 and name HN) (resid 138 and name HB#) 1.8 0.0 1.1

assign (resid 138 and name HN) (resid 138 and name HA) 1.8 0.0 1.7

assign (resid 138 and name HN) (resid 138 and name HG#) 1.8 0.0 3.2

assign (resid 138 and name HA) (resid 138 and name HB#) 1.8 0.0 1.7

assign (resid 138 and name HA) (resid 138 and name HG#) 1.8 0.0 3.2

!inter

assign (resid 138 and name HN) (resid 56 and name HG#) 1.8 0.0 5.2      !201512 

assign (resid 138 and name HN) (resid 134 and name HE2#) 1.8 0.0 3.2      !201512 

assign (resid 138 and name HN) (resid 135 and name HA) 1.8 0.0 3.2

assign (resid 138 and name HN) (resid 136 and name HN) 1.8 0.0 3.2

assign (resid 138 and name HN) (resid 136 and name HA) 1.8 0.0 3.2

assign (resid 138 and name HN) (resid 137 and name HA) 1.8 0.0 1.7

assign (resid 138 and name HN) (resid 137 and name HE3) 1.8 0.0 4.2

assign (resid 138 and name HN) (resid 137 and name HB1) 1.8 0.0 3.2
assign (resid 138 and name HN) (resid 137 and name HB2) 1.8 0.0 3.2

assign (resid 138 and name HN) (resid 137 and name HN) 1.8 0.0 1.7



assign (resid 138 and name HA) (resid 56 and name HG#) 1.8 0.0 5.2      !201512 

assign (resid 138 and name HA) (resid 137 and name HD1) 1.8 0.0 5.2

assign (resid 138 and name HA) (resid 137 and name HE3) 1.8 0.0 6.2

assign (resid 138 and name HA) (resid 141 and name HD1#) 1.8 0.0 4.2




assign (resid 138 and name HB#) (resid 56 and name HG#) 1.8 0.0 6.2      !201512 

assign (resid 138 and name HB#) (resid 135 and name HA) 1.8 0.0 3.2

assign (resid 138 and name HB#) (resid 135 and name HG#) 1.8 0.0 4.2

assign (resid 138 and name HB#) (resid 137 and name HB#) 1.8 0.0 5.2







!D139

!intra

assign (resid 139 and name HN) (resid 139 and name HB#) 1.8 0.0 1.1

assign (resid 139 and name HN) (resid 139 and name HA) 1.8 0.0 1.7

assign (resid 139 and name HA) (resid 139 and name HB#) 1.8 0.0 1.7

assign (resid 139 and name HB1) (resid 139 and name HA) 1.8 0.0 1.7
assign (resid 139 and name HB2) (resid 139 and name HA) 1.8 0.0 1.7


!inter

assign (resid 139 and name HN) (resid 136 and name HA) 1.8 0.0 3.2

assign (resid 139 and name HN) (resid 137 and name HA) 1.8 0.0 3.2

assign (resid 139 and name HN) (resid 137 and name HN) 1.8 0.0 3.2

assign (resid 139 and name HN) (resid 138 and name HB#) 1.8 0.0 1.7

assign (resid 139 and name HN) (resid 138 and name HG#) 1.8 0.0 3.2

assign (resid 139 and name HN) (resid 138 and name HA) 1.8 0.0 1.7

assign (resid 139 and name HN) (resid 140 and name HN) 1.8 0.0 3.2

assign (resid 139 and name HN) (resid 141 and name HN) 1.8 0.0 3.2


assign (resid 139 and name HB#) (resid 136 and name HA) 1.8 0.0 3.2

assign (resid 139 and name HB#) (resid 140 and name HG#) 1.8 0.0 3.2




!E140

!intra

assign (resid 140 and name HN) (resid 140 and name HA) 1.8 0.0 1.1

assign (resid 140 and name HN) (resid 140 and name HG#) 1.8 0.0 1.7

assign (resid 140 and name HN) (resid 140 and name HB#) 1.8 0.0 1.7

assign (resid 140 and name HA) (resid 140 and name HB#) 1.8 0.0 1.7

assign (resid 140 and name HA) (resid 140 and name HG#) 1.8 0.0 1.7

assign (resid 140 and name HB#) (resid 140 and name HA) 1.8 0.0 3.2

!inter

!! assign (resid 140 and name HN) (resid 57 and name HN) 1.8 0.0 8.2      !201512 


assign (resid 140 and name HN) (resid 138 and name HA) 1.8 0.0 3.2

assign (resid 140 and name HN) (resid 139 and name HA) 1.8 0.0 3.2

assign (resid 140 and name HN) (resid 139 and name HN) 1.8 0.0 1.1

assign (resid 140 and name HN) (resid 139 and name HB#) 1.8 0.0 1.7

assign (resid 140 and name HN) (resid 141 and name HN) 1.8 0.0 1.1

assign (resid 140 and name HN) (resid 141 and name HA) 1.8 0.0 3.2

assign (resid 140 and name HN) (resid 141 and name HD1#) 1.8 0.0 4.2

assign (resid 140 and name HN) (resid 141 and name HG1#) 1.8 0.0 4.5
assign (resid 140 and name HN) (resid 141 and name HG2#) 1.8 0.0 4.5



assign (resid 140 and name HA) (resid 138 and name HA) 1.8 0.0 5.2

assign (resid 140 and name HB#) (resid 136 and name HD#) 1.8 0.0 4.2

assign (resid 140 and name HB#) (resid 136 and name HE#) 1.8 0.0 3.2

assign (resid 140 and name HB#) (resid 138 and name HA) 1.8 0.0 5.2






!I141

!intra

assign (resid 141 and name HN) (resid 141 and name HA) 1.8 0.0 1.1

assign (resid 141 and name HN) (resid 141 and name HB) 1.8 0.0 3.2

assign (resid 141 and name HN) (resid 141 and name HD1#) 1.8 0.0 3.2

assign (resid 141 and name HN) (resid 141 and name HG2#) 1.8 0.0 3.2

assign (resid 141 and name HN) (resid 141 and name HG1#) 1.8 0.0 3.2


assign (resid 141 and name HA) (resid 141 and name HD1#) 1.8 0.0 3.2

assign (resid 141 and name HA) (resid 141 and name HG2#) 1.8 0.0 1.7

assign (resid 141 and name HA) (resid 141 and name HB) 1.8 0.0 3.2

assign (resid 141 and name HA) (resid 141 and name HG1#) 1.8 0.0 3.2


assign (resid 141 and name HB) (resid 141 and name HD1#) 1.8 0.0 1.7

assign (resid 141 and name HB) (resid 141 and name HG2#) 1.8 0.0 1.7

!inter

assign (resid 141 and name HN) (resid 138 and name HA) 1.8 0.0 4.2

assign (resid 141 and name HN) (resid 139 and name HN) 1.8 0.0 3.2

assign (resid 141 and name HN) (resid 139 and name HA) 1.8 0.0 4.2


assign (resid 141 and name HN) (resid 140 and name HA) 1.8 0.0 1.7

assign (resid 141 and name HN) (resid 140 and name HG#) 1.8 0.0 3.2

assign (resid 141 and name HN) (resid 140 and name HB#) 1.8 0.0 3.2

assign (resid 141 and name HN) (resid 140 and name HN) 1.8 0.0 1.1

assign (resid 141 and name HN) (resid 144 and name HG#) 1.8 0.0 6.2


assign (resid 141 and name HA) (resid 136 and name HD#) 1.8 0.0 6.2

assign (resid 141 and name HA) (resid 136 and name HE#) 1.8 0.0 6.2

assign (resid 141 and name HA) (resid 144 and name HB#) 1.8 0.0 5.2


assign (resid 141 and name HB) (resid 136 and name HD#) 1.8 0.0 6.2

assign (resid 141 and name HB) (resid 136 and name HE#) 1.8 0.0 6.2


assign (resid 141 and name HD1#) (resid 136 and name HD#) 1.8 0.0 6.2

assign (resid 141 and name HD1#) (resid 138 and name HA) 1.8 0.0 4.2

assign (resid 141 and name HD1#) (resid 139 and name HA) 1.8 0.0 6.2

assign (resid 141 and name HD1#) (resid 146 and name HD#) 1.8 0.0 4.2

assign (resid 141 and name HD1#) (resid 146 and name HE#) 1.8 0.0 4.5


assign (resid 141 and name HG2#) (resid 136 and name HD#) 1.8 0.0 5.2

assign (resid 141 and name HG2#) (resid 138 and name HA) 1.8 0.0 4.2

assign (resid 141 and name HG2#) (resid 139 and name HA) 1.8 0.0 6.2

assign (resid 141 and name HG2#) (resid 144 and name HB#) 1.8 0.0 4.2

assign (resid 141 and name HG2#) (resid 146 and name HD#) 1.8 0.0 4.2

assign (resid 141 and name HG2#) (resid 146 and name HE#) 1.8 0.0 4.5






!G142

!intra

assign (resid 142 and name HN) (resid 142 and name HA#) 1.8 0.0 1.1

!inter

assign (resid 142 and name HN) (resid 59 and name HG#) 1.8 0.0 6.2

assign (resid 142 and name HN) (resid 139 and name HB#) 1.8 0.0 5.2

assign (resid 142 and name HN) (resid 140 and name HA) 1.8 0.0 4.2

assign (resid 142 and name HN) (resid 141 and name HN) 1.8 0.0 3.2

assign (resid 142 and name HN) (resid 141 and name HG1#) 1.8 0.0 4.2





!S143

! intra

assign (resid 143 and name HB1) (resid 143 and name HA) 1.8 0.0 3.2
assign (resid 143 and name HB2) (resid 143 and name HA) 1.8 0.0 3.2






!Q144

!intra

assign (resid 144 and name HN) (resid 144 and name HA) 1.8 0.0 1.1

assign (resid 144 and name HN) (resid 144 and name HB#) 1.8 0.0 1.7

assign (resid 144 and name HN) (resid 144 and name HG#) 1.8 0.0 3.2

assign (resid 144 and name HA) (resid 144 and name HB#) 1.8 0.0 3.2


!inter

assign (resid 144 and name HN) (resid 58 and name HB#) 1.8 0.0 5.2

assign (resid 144 and name HN) (resid 143 and name HA) 1.8 0.0 1.7

assign (resid 144 and name HN) (resid 143 and name HB#) 1.8 0.0 3.2

assign (resid 144 and name HN) (resid 142 and name HN) 1.8 0.0 3.2


assign (resid 144 and name HA) (resid 56 and name HG#) 1.8 0.0 4.2

assign (resid 144 and name HA) (resid 58 and name HB#) 1.8 0.0 4.2

assign (resid 144 and name HA) (resid 59 and name HB) 1.8 0.0 8.2

assign (resid 144 and name HA) (resid 59 and name HG#) 1.8 0.0 7.2

assign (resid 144 and name HA) (resid 145 and name HD#) 1.8 0.0 3.2


assign (resid 144 and name HB#) (resid 57 and name HD#) 1.8 0.0 6.2

assign (resid 144 and name HB#) (resid 58 and name HB#) 1.8 0.0 5.2

assign (resid 144 and name HB#) (resid 141 and name HD1#) 1.8 0.0 5.2

assign (resid 144 and name HB#) (resid 145 and name HD#) 1.8 0.0 3.2







!P145

! intra

assign (resid 145 and name HA) (resid 145 and name HD#) 1.8 0.0 3.2

assign (resid 145 and name HB1) (resid 145 and name HA) 1.8 0.0 3.2
assign (resid 145 and name HB2) (resid 145 and name HA) 1.8 0.0 3.2

! inter

!assign (resid 145 and name HA) (resid 55 and name HA) 1.8 0.0 3.2   !repeat

assign (resid 145 and name HA) (resid 55 and name HG2#) 1.8 0.0 3.2

assign (resid 145 and name HA) (resid 55 and name HA) 1.8 0.0 3.2   !201512

assign (resid 145 and name HA) (resid 146 and name HD#) 1.8 0.0 3.2


assign (resid 145 and name HB1) (resid 55 and name HG2#) 1.8 0.0 3.2
assign (resid 145 and name HB2) (resid 55 and name HG2#) 1.8 0.0 3.2

!! assign (resid 145 and name HB#) (resid 66 and name HD#) 1.8 0.0 7.2

!! assign (resid 145 and name HB1) (resid 66 and name HE#) 1.8 0.0 7.2
!! assign (resid 145 and name HB2) (resid 66 and name HE#) 1.8 0.0 7.2




assign (resid 145 and name HB1) (resid 55 and name HG2#) 1.8 0.0 3.2   !201512
assign (resid 145 and name HB2) (resid 55 and name HG2#) 1.8 0.0 3.2   !201512




!F146

!intra

assign (resid 146 and name HN) (resid 146 and name HA) 1.8 0.0 1.1

assign (resid 146 and name HN) (resid 146 and name HB#) 1.8 0.0 1.7

assign (resid 146 and name HN) (resid 146 and name HD#) 1.8 0.0 3.2

assign (resid 146 and name HA) (resid 146 and name HB#) 1.8 0.0 1.7

assign (resid 146 and name HA) (resid 146 and name HD#) 1.8 0.0 3.2

assign (resid 146 and name HB1) (resid 146 and name HA) 1.8 0.0 3.2
assign (resid 146 and name HB2) (resid 146 and name HA) 1.8 0.0 3.2

assign (resid 146 and name HB1) (resid 146 and name HD#) 1.8 0.0 3.2
assign (resid 146 and name HB2) (resid 146 and name HD#) 1.8 0.0 3.2

assign (resid 146 and name HB#) (resid 146 and name HE#) 1.8 0.0 3.2

assign (resid 146 and name HD#) (resid 146 and name HZ) 1.8 0.0 3.2

assign (resid 146 and name HE#) (resid 146 and name HD#) 1.8 0.0 1.7

assign (resid 146 and name HE#) (resid 146 and name HZ) 1.8 0.0 1.7

assign (resid 146 and name HE#) (resid 146 and name HA) 1.8 0.0 4.2


!inter

assign (resid 146 and name HN) (resid 55 and name HB) 1.8 0.0 4.2

assign (resid 146 and name HN) (resid 55 and name HG2#) 1.8 0.0 3.2

assign (resid 146 and name HN) (resid 56 and name HG#) 1.8 0.0 4.5

assign (resid 146 and name HN) (resid 57 and name HA) 1.8 0.0 5.2

assign (resid 146 and name HN) (resid 56 and name HB) 1.8 0.0 4.2   !201512

!! assign (resid 146 and name HN) (resid 65 and name HB) 1.8 0.0 3.2   !201512


assign (resid 146 and name HN) (resid 147 and name HA) 1.8 0.0 4.2


assign (resid 146 and name HN) (resid 145 and name HA) 1.8 0.0 1.1

assign (resid 146 and name HN) (resid 145 and name HB1) 1.8 0.0 3.2
assign (resid 146 and name HN) (resid 145 and name HB2) 1.8 0.0 3.2

assign (resid 146 and name HN) (resid 145 and name HG#) 1.8 0.0 3.2

assign (resid 146 and name HN) (resid 145 and name HD#) 1.8 0.0 3.2


assign (resid 146 and name HA) (resid 56 and name HG#) 1.8 0.0 4.4






! assign (resid 146 and name HD#) (resid 54 and name HB#) 1.8 0.0 4.2  ! repeated

assign (resid 146 and name HD#) (resid 55 and name HN) 1.8 0.0 4.2

assign (resid 146 and name HD#) (resid 55 and name HG2#) 1.8 0.0 4.2

assign (resid 146 and name HD#) (resid 56 and name HG#) 1.8 0.0 3.2

assign (resid 146 and name HD#) (resid 57 and name HD#) 1.8 0.0 5.5

!!!! assign (resid 146 and name HD#) (resid 88 and name HB#) 1.8 0.0 6.2

!!!! assign (resid 146 and name HD#) (resid 136 and name HD#) 1.8 0.0 6.2

!!!! assign (resid 146 and name HD#) (resid 138 and name HA) 1.8 0.0 6.2

!!!! assign (resid 146 and name HD#) (resid 139 and name HA) 1.8 0.0 6.2



assign (resid 146 and name HE#) (resid 54 and name HB#) 1.8 0.0 3.2

assign (resid 146 and name HE#) (resid 55 and name HA) 1.8 0.0 6.2

assign (resid 146 and name HE#) (resid 55 and name HG2#) 1.8 0.0 5.2

assign (resid 146 and name HE#) (resid 56 and name HG1#) 1.8 0.0 3.2
assign (resid 146 and name HE#) (resid 56 and name HG2#) 1.8 0.0 4.2

assign (resid 146 and name HE#) (resid 88 and name HB#) 1.8 0.0 6.5      !201512 






!T147

!intra

assign (resid 147 and name HN) (resid 147 and name HA) 1.8 0.0 1.7

assign (resid 147 and name HN) (resid 147 and name HB) 1.8 0.0 3.2

assign (resid 147 and name HN) (resid 147 and name HG2#) 1.8 0.0 3.2

assign (resid 147 and name HA) (resid 147 and name HG2#) 1.8 0.0 1.7

assign (resid 147 and name HB) (resid 147 and name HG2#) 1.8 0.0 1.1

assign (resid 147 and name HB) (resid 147 and name HA) 1.8 0.0 3.2


!inter

assign (resid 147 and name HN) (resid 54 and name HN) 1.8 0.0 5.2


assign (resid 147 and name HN) (resid 146 and name HA) 1.8 0.0 1.1

assign (resid 147 and name HN) (resid 146 and name HB#) 1.8 0.0 3.2

assign (resid 147 and name HN) (resid 146 and name HD#) 1.8 0.0 3.2

assign (resid 147 and name HN) (resid 148 and name HN) 1.8 0.0 3.2

assign (resid 147 and name HN) (resid 149 and name HD#) 1.8 0.0 5.2

assign (resid 147 and name HN) (resid 149 and name HE#) 1.8 0.0 6.2

assign (resid 147 and name HN) (resid 161 and name HG) 1.8 0.0 3.2      !201512 

assign (resid 147 and name HN) (resid 163 and name HA) 1.8 0.0 4.2  !H-bond

assign (resid 147 and name HN) (resid 164 and name HN) 1.8 0.0 5.2  !H-bond



assign (resid 147 and name HA) (resid 52 and name HB#) 1.8 0.0 6.5      !201512 

assign (resid 147 and name HA) (resid 147 and name HG2#) 1.8 0.0 3.2    !201512 



assign (resid 147 and name HB) (resid 146 and name HA) 1.8 0.0 4.2

assign (resid 147 and name HB) (resid 149 and name HD#) 1.8 0.0 4.2



assign (resid 147 and name HG2#) (resid 145 and name HG#) 1.8 0.0 6.2

assign (resid 147 and name HG2#) (resid 146 and name HA) 1.8 0.0 4.2

assign (resid 147 and name HG2#) (resid 149 and name HD#) 1.8 0.0 4.2







!C148

!intra

assign (resid 148 and name HN) (resid 148 and name HA) 1.8 0.0 1.1

assign (resid 148 and name HN) (resid 148 and name HB#) 1.8 0.0 1.7

assign (resid 148 and name HB1) (resid 148 and name HA) 1.8 0.0 3.2
assign (resid 148 and name HB2) (resid 148 and name HA) 1.8 0.0 3.2

!inter


assign (resid 148 and name HN) (resid 146 and name HD#) 1.8 0.0 5.2

assign (resid 148 and name HN) (resid 147 and name HA) 1.8 0.0 1.1

assign (resid 148 and name HN) (resid 147 and name HG2#) 1.8 0.0 3.2

assign (resid 148 and name HN) (resid 147 and name HB) 1.8 0.0 3.2

assign (resid 148 and name HN) (resid 147 and name HN) 1.8 0.0 3.2

assign (resid 148 and name HN) (resid 149 and name HN) 1.8 0.0 3.2

assign (resid 148 and name HN) (resid 149 and name HD#) 1.8 0.0 3.2


assign (resid 148 and name HA) (resid 53 and (name HD21 or name HD22)) 1.8 0.0 3.2   !201512

!! assign (resid 148 and name HA) (resid 107 and name HD#2) 1.8 0.0 4.2   !201512
 

assign (resid 148 and name HA) (resid 146 and name HD#) 1.8 0.0 4.2

assign (resid 148 and name HA) (resid 149 and name HD#) 1.8 0.0 4.2


assign (resid 148 and name HA) (resid 162 and name HN) 1.8 0.0 3.2  !H-bond


assign (resid 148 and name HA) (resid 161 and name HA) 1.8 0.0 3.2  !H-bond




assign (resid 148 and name HB1) (resid 149 and name HE#) 1.8 0.0 6.2
assign (resid 148 and name HB2) (resid 149 and name HE#) 1.8 0.0 5.2

assign (resid 148 and name HB1) (resid 149 and name HD#) 1.8 0.0 4.2   !201512
assign (resid 148 and name HB2) (resid 149 and name HD#) 1.8 0.0 4.2   !201512

assign (resid 148 and name HB1) (resid 150 and name HD#) 1.8 0.0 6.2
assign (resid 148 and name HB2) (resid 150 and name HD#) 1.8 0.0 7.2

assign (resid 148 and name HB1) (resid 159 and name HG#) 1.8 0.0 4.2   !201512
assign (resid 148 and name HB2) (resid 159 and name HG#) 1.8 0.0 4.2   !201512

assign (resid 148 and name HB1) (resid 159 and name HB) 1.8 0.0 7.2   !201512
assign (resid 148 and name HB2) (resid 159 and name HB) 1.8 0.0 7.2   !201512



!Y149

!intra


assign (resid 149 and name HN) (resid 149 and name HA) 1.8 0.0 1.7

assign (resid 149 and name HN) (resid 149 and name HB1) 1.8 0.0 3.2
assign (resid 149 and name HN) (resid 149 and name HB2) 1.8 0.0 3.2

assign (resid 149 and name HN) (resid 149 and name HD#) 1.8 0.0 3.2

assign (resid 149 and name HA) (resid 149 and name HB1) 1.8 0.0 3.2
assign (resid 149 and name HA) (resid 149 and name HB2) 1.8 0.0 3.2

assign (resid 149 and name HA) (resid 149 and name HD#) 1.8 0.0 3.2

assign (resid 149 and name HB1) (resid 149 and name HD#) 1.8 0.0 3.2
assign (resid 149 and name HB2) (resid 149 and name HD#) 1.8 0.0 3.2


!inter

assign (resid 149 and name HN) (resid 50 and name HG2#) 1.8 0.0 7.2   !201512

assign (resid 149 and name HN) (resid 51 and name HA) 1.8 0.0 5.2      !201512 

assign (resid 149 and name HN) (resid 51 and name HB#) 1.8 0.0 5.2

assign (resid 149 and name HN) (resid 52 and name HB#) 1.8 0.0 5.2

assign (resid 149 and name HN) (resid 148 and name HA) 1.8 0.0 1.1

assign (resid 149 and name HN) (resid 148 and name HB#) 1.8 0.0 3.2

assign (resid 149 and name HN) (resid 159 and name HG#) 1.8 0.0 3.2      !201512 

assign (resid 149 and name HN) (resid 159 and name HB) 1.8 0.0 4.2    !201512 

assign (resid 149 and name HN) (resid 160 and name HD1#) 1.8 0.0 4.2   !201512
assign (resid 149 and name HN) (resid 160 and name HD2#) 1.8 0.0 4.2   !201512

assign (resid 149 and name HN) (resid 160 and name HN) 1.8 0.0 3.2  !H-bond

assign (resid 149 and name HN) (resid 161 and name HA) 1.8 0.0 4.2  !H-bond


assign (resid 149 and name HA) (resid 50 and name HG2#) 1.8 0.0 3.5   !201512

assign (resid 149 and name HA) (resid 51 and name HB#) 1.8 0.0 3.2

assign (resid 149 and name HA) (resid 52 and name HB#) 1.8 0.0 3.2

assign (resid 149 and name HA) (resid 158 and name HN) 1.8 0.0 8.2   !201512



assign (resid 149 and name HD#) (resid 51 and name HN) 1.8 0.0 4.2   !201512

assign (resid 149 and name HD#) (resid 51 and name HA) 1.8 0.0 4.2

assign (resid 149 and name HD#) (resid 51 and name HB#) 1.8 0.0 3.2

assign (resid 149 and name HD#) (resid 51 and name HG#) 1.8 0.0 4.2

assign (resid 149 and name HD#) (resid 148 and name HA) 1.8 0.0 3.2

assign (resid 149 and name HD#) (resid 148 and name HA) 1.8 0.0 1.7   !201512

assign (resid 149 and name HD#) (resid 150 and name HN) 1.8 0.0 3.2   !201512 





!F150

!intra

assign (resid 150 and name HN) (resid 150 and name HD#) 1.8 0.0 3.2

assign (resid 150 and name HN) (resid 150 and name HE#) 1.8 0.0 5.2

assign (resid 150 and name HN) (resid 150 and name HA) 1.8 0.0 1.7

assign (resid 150 and name HN) (resid 150 and name HB#) 1.8 0.0 1.7

assign (resid 150 and name HA) (resid 150 and name HD#) 1.8 0.0 3.2

assign (resid 150 and name HB1) (resid 150 and name HA) 1.8 0.0 3.2
assign (resid 150 and name HB2) (resid 150 and name HA) 1.8 0.0 3.2

assign (resid 150 and name HB1) (resid 150 and name HD#) 1.8 0.0 3.2
assign (resid 150 and name HB2) (resid 150 and name HD#) 1.8 0.0 3.2


!inter

assign (resid 150 and name HN) (resid 50 and name HB) 1.8 0.0 4.5   !201512

assign (resid 150 and name HN) (resid 50 and name HG2#) 1.8 0.0 3.2   !201512

assign (resid 150 and name HN) (resid 51 and name HA) 1.8 0.0 4.2

assign (resid 150 and name HN) (resid 52 and name HB#) 1.8 0.0 3.2

!!!! assign (resid 150 and name HN) (resid 79 and name HB) 1.8 0.0 6.2

assign (resid 150 and name HN) (resid 52 and name HN) 1.8 0.0 3.2

assign (resid 150 and name HN) (resid  53 and name HA) 1.8 0.0 5.2

assign (resid 150 and name HN) (resid  53 and name HB#) 1.8 0.0 6.2

assign (resid 150 and name HN) (resid 149 and name HB1) 1.8 0.0 3.2
assign (resid 150 and name HN) (resid 149 and name HB2) 1.8 0.0 3.2

assign (resid 150 and name HN) (resid 149 and name HA) 1.8 0.0 1.1

assign (resid 150 and name HN) (resid 159 and name HG#) 1.8 0.0 5.2   !201512



assign (resid 150 and name HA) (resid 49 and name HB#) 1.8 0.0 5.2

assign (resid 150 and name HA) (resid 50 and name HG2#) 1.8 0.0 4.5   !201512

assign (resid 150 and name HA) (resid 160 and name HN) 1.8 0.0 4.2   !H-bond

assign (resid 150 and name HA) (resid 159 and name HA) 1.8 0.0 3.2   !H-bond

assign (resid 150 and name HA) (resid 159 and name HG#) 1.8 0.0 3.2   !201512


assign (resid 150 and name HB1) (resid 159 and name HG#) 1.8 0.0 4.2   !201512
assign (resid 150 and name HB2) (resid 159 and name HG#) 1.8 0.0 4.2   !201512



assign (resid 150 and name HD#) (resid 156 and name HB#) 1.8 0.0 5.2

assign (resid 150 and name HD#) (resid 156 and name HA) 1.8 0.0 6.2   !201512




assign (resid 150 and name HD#) (resid 50 and name HG2#) 1.8 0.0 4.2   !201512

assign (resid 150 and name HE#) (resid 50 and name HG2#) 1.8 0.0 4.5   !201512

assign (resid 150 and name HE#) (resid 152 and name HA) 1.8 0.0 4.2   !201512

assign (resid 150 and name HE#) (resid 152 and name HB2) 1.8 0.0 3.2   !201512
assign (resid 150 and name HE#) (resid 152 and name HB1) 1.8 0.0 3.2   !201512

assign (resid 150 and name HE#) (resid 156 and name HA) 1.8 0.0 4.5   !201512

assign (resid 150 and name HE#) (resid 156 and name HB2) 1.8 0.0 6.2   !201512
assign (resid 150 and name HE#) (resid 156 and name HB1) 1.8 0.0 6.2   !201512




!N151

!intra

assign (resid 151 and name HN) (resid 151 and name HA) 1.8 0.0 3.2

assign (resid 151 and name HN) (resid 151 and name HB1) 1.8 0.0 3.2
assign (resid 151 and name HN) (resid 151 and name HB2) 1.8 0.0 3.2

!inter


assign (resid 151 and name HN) (resid 49 and name HA) 1.8 0.0 6.2

assign (resid 151 and name HN) (resid 49 and name HB#) 1.8 0.0 4.2

assign (resid 151 and name HN) (resid 51 and name HG#) 1.8 0.0 5.5

assign (resid 151 and name HN) (resid 150 and name HA) 1.8 0.0 1.1

assign (resid 151 and name HN) (resid 150 and name HB#) 1.8 0.0 1.7

assign (resid 151 and name HN) (resid 152 and name HB#) 1.8 0.0 5.2

assign (resid 151 and name HN) (resid 153 and name HD2) 1.8 0.0 4.2


assign (resid 151 and name HB#) (resid 49 and name HB#) 1.8 0.0 3.2

assign (resid 151 and name HB#) (resid 50 and name HB) 1.8 0.0 4.2

assign (resid 151 and name HB#) (resid 150 and name HE#) 1.8 0.0 5.2

assign (resid 151 and name HB#) (resid 152 and name HG#) 1.8 0.0 4.2



!Q152


!intra

assign (resid 152 and name HN) (resid 152 and name HB1) 1.8 0.0 1.7
assign (resid 152 and name HN) (resid 152 and name HB2) 1.8 0.0 1.7

assign (resid 152 and name HN) (resid 152 and name HA) 1.8 0.0 1.7

assign (resid 152 and name HN) (resid 152 and name HG#) 1.8 0.0 3.2

assign (resid 152 and name HA) (resid 152 and name HG#) 1.8 0.0 3.2

assign (resid 152 and name HB1) (resid 152 and name HA) 1.8 0.0 3.2
assign (resid 152 and name HB2) (resid 152 and name HA) 1.8 0.0 3.2

!inter


assign (resid 152 and name HN) (resid 49 and name HA) 1.8 0.0 4.2

assign (resid 152 and name HN) (resid 49 and name HB#) 1.8 0.0 4.2

assign (resid 152 and name HN) (resid 50 and name HN) 1.8 0.0 3.2

assign (resid 152 and name HN) (resid 50 and name HB) 1.8 0.0 5.5

assign (resid 152 and name HN) (resid 150 and name HD#) 1.8 0.0 3.2

assign (resid 152 and name HN) (resid 150 and name HE#) 1.8 0.0 4.2

assign (resid 152 and name HN) (resid 151 and name HA) 1.8 0.0 1.1

assign (resid 152 and name HN) (resid 151 and name HN) 1.8 0.0 3.2

assign (resid 152 and name HN) (resid 151 and name HB#) 1.8 0.0 3.2

assign (resid 152 and name HN) (resid 153 and name HN) 1.8 0.0 1.7

assign (resid 152 and name HN) (resid 153 and name HA) 1.8 0.0 4.2

assign (resid 152 and name HN) (resid 153 and name HD2) 1.8 0.0 3.2

assign (resid 152 and name HN) (resid 154 and name HN) 1.8 0.0 3.2

assign (resid 152 and name HN) (resid 156 and name HB2) 1.8 0.0 7.2   !201512
assign (resid 152 and name HN) (resid 156 and name HB1) 1.8 0.0 7.2   !201512




assign (resid 152 and name HA) (resid 150 and name HD#) 1.8 0.0 3.2

assign (resid 152 and name HA) (resid 156 and name HA) 1.8 0.0 3.2   !201512



assign (resid 152 and name HB1) (resid 150 and name HD#) 1.8 0.0 4.2
assign (resid 152 and name HB2) (resid 150 and name HD#) 1.8 0.0 4.2





!H153

!intra

assign (resid 153 and name HN) (resid 153 and name HA) 1.8 0.0 1.7

assign (resid 153 and name HN) (resid 153 and name HB1) 1.8 0.0 1.7
assign (resid 153 and name HN) (resid 153 and name HB2) 1.8 0.0 1.7

assign (resid 153 and name HN) (resid 153 and name HD2) 1.8 0.0 3.2

assign (resid 153 and name HA) (resid 153 and name HB1) 1.8 0.0 1.7
assign (resid 153 and name HA) (resid 153 and name HB2) 1.8 0.0 1.7

assign (resid 153 and name HA) (resid 153 and name HD2) 1.8 0.0 3.2

assign (resid 153 and name HB1) (resid 153 and name HD2) 1.8 0.0 3.2
assign (resid 153 and name HB2) (resid 153 and name HD2) 1.8 0.0 3.2

!inter

assign (resid 153 and name HN) (resid 152 and name HB#) 1.8 0.0 3.2

assign (resid 153 and name HN) (resid 152 and name HG#) 1.8 0.0 3.2

assign (resid 153 and name HN) (resid 152 and name HA) 1.8 0.0 3.2

assign (resid 153 and name HN) (resid 154 and name HN) 1.8 0.0 1.7

assign (resid 153 and name HN) (resid 154 and name HB#) 1.8 0.0 3.2

assign (resid 153 and name HN) (resid 155 and name HA) 1.8 0.0 6.2

assign (resid 153 and name HN) (resid 48 and name HE21) 1.8 0.0 3.2   !201512




!Q154

!intra
assign (resid 154 and name HN) (resid 154 and name HA) 1.8 0.0 1.7

assign (resid 154 and name HN) (resid 154 and name HB1) 1.8 0.0 1.7
assign (resid 154 and name HN) (resid 154 and name HB2) 1.8 0.0 1.7


!inter

assign (resid 154 and name HN) (resid 151 and name HA) 1.8 0.0 4.2

assign (resid 154 and name HN) ((resid 151 or resid 152) and name HB#) 1.8 0.0 3.2

assign (resid 154 and name HN) (resid 152 and name HN) 1.8 0.0 3.2

assign (resid 154 and name HN) (resid 152 and name HG#) 1.8 0.0 3.2

assign (resid 154 and name HN) (resid 153 and name HA) 1.8 0.0 1.7

assign (resid 154 and name HN) (resid 153 and name HB1) 1.8 0.0 3.2
assign (resid 154 and name HN) (resid 153 and name HB2) 1.8 0.0 3.2

assign (resid 154 and name HN) (resid 153 and name HN) 1.8 0.0 1.7

assign (resid 154 and name HN) (resid 155 and name HN) 1.8 0.0 1.7




!R155


!intra

assign (resid 155 and name HN) (resid 155 and name HA) 1.8 0.0 1.7

assign (resid 155 and name HN) (resid 155 and name HB1) 1.8 0.0 3.2
assign (resid 155 and name HN) (resid 155 and name HB2) 1.8 0.0 1.7

assign (resid 155 and name HN) (resid 155 and name HD1) 1.8 0.0 3.2
assign (resid 155 and name HN) (resid 155 and name HD2) 1.8 0.0 4.2


!inter

!! assign (resid 155 and name HN) (resid 86 and name HE2#) 1.8 0.0 6.2   !201512

!! assign (resid 155 and name HN) (resid 103 and name HB1) 1.8 0.0 6.2   !201512
!! assign (resid 155 and name HN) (resid 103 and name HB2) 1.8 0.0 6.2   !201512

!! assign (resid 155 and name HN) (resid 113 and name HN) 1.8 0.0 4.2   !201512

assign (resid 155 and name HN) (resid 152 and name HN) 1.8 0.0 4.2

assign (resid 155 and name HN) (resid 152 and name HB#) 1.8 0.0 4.2

assign (resid 155 and name HN) (resid 153 and name HA) 1.8 0.0 4.2

assign (resid 155 and name HN) (resid 153 and name HD2) 1.8 0.0 5.2

assign (resid 155 and name HN) (resid 154 and name HB2) 1.8 0.0 3.2
assign (resid 155 and name HN) (resid 154 and name HB1) 1.8 0.0 1.7

assign (resid 155 and name HN) (resid 154 and name HA) 1.8 0.0 1.7

assign (resid 155 and name HN) (resid 154 and name HN) 1.8 0.0 1.1

assign (resid 155 and name HN) (resid 155 and name HG#) 1.8 0.0 3.2   !201512

assign (resid 155 and name HN) (resid 156 and name HD#) 1.8 0.0 3.2   !201512




!P156

! intra

assign (resid 156 and name HA) (resid 156 and name HB1) 1.8 0.0 1.7
assign (resid 156 and name HA) (resid 156 and name HB2) 1.8 0.0 3.2

assign (resid 156 and name HA) (resid 156 and name HD#) 1.8 0.0 3.2

! inter


!! assign (resid 156 and name HA) (resid 158 and name HN) 1.8 0.0 4.2   !201512  !repeated






!D157

!intra

assign (resid 157 and name HN) (resid 157 and name HA) 1.8 0.0 1.1

assign (resid 157 and name HN) (resid 157 and name HB1) 1.8 0.0 3.2
assign (resid 157 and name HN) (resid 157 and name HB2) 1.8 0.0 3.2

assign (resid 157 and name HA) (resid 157 and name HB1) 1.8 0.0 3.2
assign (resid 157 and name HA) (resid 157 and name HB2) 1.8 0.0 3.2


!inter

!! assign (resid 157 and name HN) (resid 100 and name HN) 1.8 0.0 3.2   !201512

!! assign (resid 157 and name HN) (resid 100 and name HN) 1.8 0.0 3.2   !201512

!! assign (resid 157 and name HN) (resid 105 and name HA) 1.8 0.0 3.2   !201512

!! assign (resid 157 and name HN) (resid 103 and name HB1) 1.8 0.0 3.2   !201512

assign (resid 157 and name HN) (resid 155 and name HD#) 1.8 0.0 6.2

assign (resid 157 and name HN) (resid 155 and name HA) 1.8 0.0 5.2

assign (resid 157 and name HN) (resid 156 and name HA) 1.8 0.0 1.7

assign (resid 157 and name HN) (resid 156 and name HB#) 1.8 0.0 3.2

assign (resid 157 and name HN) (resid 156 and name HD#) 1.8 0.0 3.2

assign (resid 157 and name HN) (resid 158 and name HA) 1.8 0.0 3.2

assign (resid 157 and name HN) (resid 159 and name HG#) 1.8 0.0 4.2


assign (resid 157 and name HA) (resid 155 and name HA) 1.8 0.0 6.2





!D158


!intra

assign (resid 158 and name HN) (resid 158 and name HA) 1.8 0.0 1.7

assign (resid 158 and name HN) (resid 158 and name HB#) 1.8 0.0 1.7

assign (resid 158 and name HB1) (resid 158 and name HA) 1.8 0.0 3.2
assign (resid 158 and name HB2) (resid 158 and name HA) 1.8 0.0 3.2

!inter



!! assign (resid 158 and name HN) (resid 100 and name HN) 1.8 0.0 6.2   !201512



!! assign (resid 158 and name HN) (resid 105 and name HA) 1.8 0.0 3.2   !201512

assign (resid 158 and name HN) (resid 156 and name HA) 1.8 0.0 5.2

assign (resid 158 and name HN) (resid 156 and name HD#) 1.8 0.0 4.2

assign (resid 158 and name HN) (resid 157 and name HA) 1.8 0.0 1.7

assign (resid 158 and name HN) (resid 157 and name HB2) 1.8 0.0 3.2
assign (resid 158 and name HN) (resid 157 and name HB1) 1.8 0.0 3.2

assign (resid 158 and name HN) (resid 157 and name HN) 1.8 0.0 3.2







!V159

!intra

assign (resid 159 and name HN) (resid 159 and name HG#) 1.8 0.0 1.1

assign (resid 159 and name HN) (resid 159 and name HA) 1.8 0.0 1.7

assign (resid 159 and name HN) (resid 159 and name HB) 1.8 0.0 3.2

assign (resid 159 and name HA) (resid 159 and name HB) 1.8 0.0 1.7

assign (resid 159 and name HA) (resid 159 and name HG#) 1.8 0.0 1.7

assign (resid 159 and name HB) (resid 159 and name HG#) 1.8 0.0 1.7

!inter

!! assign (resid 159 and name HN) (resid 53 and name HD2#) 1.8 0.0 8.2   !201512

!! assign (resid 159 and name HN) (resid 69 and name HG2#) 1.8 0.0 6.2   !201512




!! assign (resid 159 and name HN) (resid 112 and name HN) 1.8 0.0 3.2   !201512

assign (resid 159 and name HN) (resid 156 and name HA) 1.8 0.0 8.2

assign (resid 159 and name HN) (resid 157 and name HB#) 1.8 0.0 4.2

assign (resid 159 and name HN) (resid 158 and name HA) 1.8 0.0 1.7

assign (resid 159 and name HN) (resid 158 and name HB#) 1.8 0.0 3.2

assign (resid 159 and name HN) (resid 158 and name HN) 1.8 0.0 3.2




assign (resid 159 and name HA) (resid 157 and name HB#) 1.8 0.0 5.2



!! assign (resid 159 and name HG#) (resid 157 and name HN) 1.8 0.0 3.2  ! repeated

assign (resid 159 and name HG#) (resid 161 and name HN) 1.8 0.0 4.2











!L160

!intra

assign (resid 160 and name HN) (resid 160 and name HD1#) 1.8 0.0 3.2
assign (resid 160 and name HN) (resid 160 and name HD2#) 1.8 0.0 3.2

assign (resid 160 and name HN) (resid 160 and name HB#) 1.8 0.0 1.7

assign (resid 160 and name HN) (resid 160 and name HA) 1.8 0.0 3.2

assign (resid 160 and name HA) (resid 160 and name HD1#) 1.8 0.0 3.2
assign (resid 160 and name HA) (resid 160 and name HD2#) 1.8 0.0 3.2

assign (resid 160 and name HA) (resid 160 and name HB1) 1.8 0.0 3.2
assign (resid 160 and name HA) (resid 160 and name HB2) 1.8 0.0 3.2


assign (resid 160 and name HB1) (resid 160 and name HD1#) 1.8 0.0 3.2
assign (resid 160 and name HB2) (resid 160 and name HD1#) 1.8 0.0 3.2
assign (resid 160 and name HB1) (resid 160 and name HD2#) 1.8 0.0 3.2
assign (resid 160 and name HB2) (resid 160 and name HD2#) 1.8 0.0 3.2

!inter

!!!! assign (resid 160 and name HN) (resid 90 and name HN) 1.8 0.0 5.2

assign (resid 160 and name HN) (resid 149 and name HB#) 1.8 0.0 4.2

assign (resid 160 and name HN) (resid 158 and name HN) 1.8 0.0 6.2

assign (resid 160 and name HN) (resid 158 and name HB#) 1.8 0.0 5.2

assign (resid 160 and name HN) (resid 159 and name HN) 1.8 0.0 3.2

assign (resid 160 and name HN) (resid 159 and name HB) 1.8 0.0 3.2

assign (resid 160 and name HN) (resid 159 and name HA) 1.8 0.0 1.7

assign (resid 160 and name HN) (resid 159 and name HG#) 1.8 0.0 1.7

assign (resid 160 and name HN) (resid 161 and name HN) 1.8 0.0 3.2


!!!! assign (resid 160 and name HA) (resid 101 and name HB1) 1.8 0.0 6.2
!!!! assign (resid 160 and name HA) (resid 101 and name HB2) 1.8 0.0 6.2

!!!! assign (resid 160 and name HB1) (resid 88 and name HD#) 1.8 0.0 6.2
!!!! assign (resid 160 and name HB2) (resid 88 and name HD#) 1.8 0.0 5.2


!!!! assign (resid 160 and name HD#) (resid 98 and name HA) 1.8 0.0 6.2

!!!! assign (resid 160 and name HD1#) (resid 101 and name HB1) 1.8 0.0 5.2
!!!! assign (resid 160 and name HD1#) (resid 101 and name HB2) 1.8 0.0 4.2
!!!! assign (resid 160 and name HD2#) (resid 101 and name HB1) 1.8 0.0 4.2
!!!! assign (resid 160 and name HD2#) (resid 101 and name HB2) 1.8 0.0 3.2

assign (resid 160 and name HD#) (resid 162 and name HA) 1.8 0.0 5.2








!L161

!intra

assign (resid 161 and name HN) (resid 161 and name HA) 1.8 0.0 3.2

assign (resid 161 and name HN) (resid 161 and name HB#) 1.8 0.0 1.7

assign (resid 161 and name HN) (resid 161 and name HD2#) 1.8 0.0 4.2

assign (resid 161 and name HN) (resid 161 and name HD1#) 1.8 0.0 5.2

assign (resid 161 and name HN) (resid 161 and name HG) 1.8 0.0 3.2

assign (resid 161 and name HB#) (resid 161 and name HG) 1.8 0.0 1.7

assign (resid 161 and name HB#) (resid 161 and name HA) 1.8 0.0 3.2

assign (resid 161 and name HB#) (resid 161 and name HD#) 1.8 0.0 3.2

assign (resid 161 and name HD#) (resid 161 and name HA) 1.8 0.0 3.2



!inter

!! assign (resid 161 and name HN) (resid 122 and name HG#) 1.8 0.0 6.2   !201512

! assign (resid 161 and name HN) (resid 158 and name HB#) 1.8 0.0 6.2

assign (resid 161 and name HN) (resid 159 and name HA) 1.8 0.0 5.2

assign (resid 161 and name HN) (resid 160 and name HA) 1.8 0.0 1.7

assign (resid 161 and name HN) (resid 160 and name HB#) 1.8 0.0 1.7

assign (resid 161 and name HN) (resid 160 and name HD1#) 1.8 0.0 3.2
assign (resid 161 and name HN) (resid 160 and name HD2#) 1.8 0.0 3.2

assign (resid 161 and name HN) (resid 162 and name HN) 1.8 0.0 1.7

! assign (resid 161 and name HN) (resid 164 and name HA) 1.8 0.0 6.2


!! assign (resid 161 and name HB#) (resid 122 and name HG#) 1.8 0.0 6.2   !201512

!! assign (resid 161 and name HB#) (resid 158 and name HB#) 1.8 0.0 7.2

assign (resid 161 and name HB#) (resid 162 and name HD2) 1.8 0.0 6.2

! assign (resid 161 and name HB#) (resid 164 and name HA) 1.8 0.0 6.2



!!!! assign (resid 161 and name HD#) (resid 90 and name HA) 1.8 0.0 4.2

!!!! assign (resid 161 and name HD#) (resid 90 and name HB2) 1.8 0.0 4.2
!!!! assign (resid 161 and name HD#) (resid 90 and name HB1) 1.8 0.0 4.2

!!!! assign (resid 161 and name HD#) (resid 97 and name HD#) 1.8 0.0 4.2

!!!! assign (resid 161 and name HD#) (resid 98 and name HN) 1.8 0.0 5.2

!!!! assign (resid 161 and name HD#) (resid 99 and name HD1#) 1.8 0.0 4.2
!!!! assign (resid 161 and name HD#) (resid 99 and name HD2#) 1.8 0.0 4.2

!!!! assign (resid 161 and name HD#) (resid 100 and name HD#) 1.8 0.0 5.2

!!!! assign (resid 161 and name HD#) (resid 101 and name HB#) 1.8 0.0 6.2

assign (resid 161 and name HD#) (resid 162 and name HA) 1.8 0.0 3.2

! assign (resid 161 and name HD#) (resid 164 and name HA) 1.8 0.0 6.5   







!H162

!intra

assign (resid 162 and name HN) (resid 162 and name HA) 1.8 0.0 1.1

assign (resid 162 and name HN) (resid 162 and name HB#) 1.8 0.0 1.7

assign (resid 162 and name HA) (resid 162 and name HD2) 1.8 0.0 3.2

assign (resid 162 and name HB1) (resid 162 and name HA) 1.8 0.0 3.2
assign (resid 162 and name HB2) (resid 162 and name HA) 1.8 0.0 3.2

assign (resid 162 and name HB1) (resid 162 and name HD2) 1.8 0.0 3.2
assign (resid 162 and name HB2) (resid 162 and name HD2) 1.8 0.0 3.2

!inter


assign (resid 162 and name HN) (resid 160 and name HA) 1.8 0.0 3.2

assign (resid 162 and name HN) (resid 161 and name HB#) 1.8 0.0 3.2

assign (resid 162 and name HN) (resid 161 and name HN) 1.8 0.0 1.7

assign (resid 162 and name HN) (resid 161 and name HD1#) 1.8 0.0 4.2
assign (resid 162 and name HN) (resid 161 and name HD2#) 1.8 0.0 3.2

assign (resid 162 and name HN) (resid 161 and name HG) 1.8 0.0 3.2

assign (resid 162 and name HN) (resid 163 and name HN) 1.8 0.0 3.2



assign (resid 162 and name HA) (resid  161 and name HG) 1.8 0.0 4.2


!! assign (resid 162 and name HD2) (resid 122 and name HG#) 1.8 0.0 8.2   !201512

assign (resid 162 and name HD2) (resid 161 and name HB#) 1.8 0.0 3.2   !201512



!R163

!intra
assign (resid 163 and name HN) (resid 163 and name HB#) 1.8 0.0 1.1

assign (resid 163 and name HN) (resid 163 and name HG#) 1.8 0.0 3.2

assign (resid 163 and name HN) (resid 163 and name HA) 1.8 0.0 1.7

assign (resid 163 and name HN) (resid 163 and name HD#) 1.8 0.0 3.2

assign (resid 163 and name HA) (resid 163 and name HB#) 1.8 0.0 1.7

assign (resid 163 and name HA) (resid 163 and name HG#) 1.8 0.0 1.7

assign (resid 163 and name HA) (resid 163 and name HD#) 1.8 0.0 3.2

assign (resid 163 and name HB#) (resid 163 and name HG#) 1.8 0.0 1.7

assign (resid 163 and name HB#) (resid 163 and name HD#) 1.8 0.0 3.2


!inter

assign (resid 163 and name HN) (resid 162 and name HA) 1.8 0.0 1.7

assign (resid 163 and name HN) (resid 162 and name HB#) 1.8 0.0 1.7

assign (resid 163 and name HN) (resid 162 and name HN) 1.8 0.0 3.2

assign (resid 163 and name HN) (resid 144  and name HE21) 1.8 0.0 5.2   !201512
assign (resid 163 and name HN) (resid 144  and name HE22) 1.8 0.0 5.2   !201512

assign (resid 163 and name HB#) (resid 144 and name HE2#) 1.8 0.0 3.2   !201512

!! assign (resid 163 and name HN) (resid 122 and name HG#) 1.8 0.0 8.2   !201512

!! assign (resid 163 and name HN) (resid 88 and (name HB1 or name HB2)) 1.8 0.0 6.2   !201512





!T164

!intra

assign (resid 164 and name HN) (resid 164 and name HA) 1.8 0.0 1.7

assign (resid 164 and name HN) (resid 164 and name HB) 1.8 0.0 3.2

assign (resid 164 and name HN) (resid 164 and name HG2#) 1.8 0.0 3.2

assign (resid 164 and name HN) (resid 164 and name HA) 1.8 0.0 1.7

assign (resid 164 and name HA) (resid 164 and name HG2#) 1.8 0.0 1.7

assign (resid 164 and name HB) (resid 164 and name HA) 1.8 0.0 1.7

!inter

assign (resid 164 and name HN) (resid 146 and (name HB1 or name HB2)) 1.8 0.0 3.2   !201512

assign (resid 164 and name HN) (resid 162 and name HB#) 1.8 0.0 4.2

assign (resid 164 and name HN) (resid 163 and name HA) 1.8 0.0 1.1

assign (resid 164 and name HN) (resid 163 and name HB#) 1.8 0.0 1.7

assign (resid 164 and name HN) (resid 163 and name HG#) 1.8 0.0 3.2

assign (resid 164 and name HN) (resid 163 and name HD#) 1.8 0.0 4.2


assign (resid 164 and name HA) (resid 58 and name HA) 1.8 0.0 8.2   !201512

assign (resid 164 and name HA) (resid 58 and (name HB2 or name HB1)) 1.8 0.0 6.2   !201512

assign (resid 164 and name HA) (resid 59 and name HG#) 1.8 0.0 9.2   !201512



assign (resid 164 and name HB) (resid 58 and name HA) 1.8 0.0 6.2   !201512

assign (resid 164 and name HB) (resid 58 and name HB1) 1.8 0.0 7.2   !201512
assign (resid 164 and name HB) (resid 58 and name HB2) 1.8 0.0 7.2   !201512

assign (resid 164 and name HB) (resid 59 and name HG#) 1.8 0.0 7.2   !201512






!H165

!intra
assign (resid 165 and name HN) (resid 165 and name HA) 1.8 0.0 1.7

assign (resid 165 and name HN) (resid 165 and name HB#) 1.8 0.0 1.7

assign (resid 164 and name HB) (resid 164 and name HG2#) 1.8 0.0 1.1

assign (resid 164 and name HG2#) (resid 164 and name HA) 1.8 0.0 1.7



!inter

assign (resid 165 and name HN) (resid 164 and name HA) 1.8 0.0 1.7

assign (resid 165 and name HN) (resid 164 and name HB) 1.8 0.0 3.2

assign (resid 165 and name HN) (resid 164 and name HG2#) 1.8 0.0 3.2






!D166

!intra

assign (resid 166 and name HN) (resid 166 and name HA) 1.8 0.0 1.1

assign (resid 166 and name HN) (resid 166 and name HB1) 1.8 0.0 3.2
assign (resid 166 and name HN) (resid 166 and name HB2) 1.8 0.0 3.2

assign (resid 166 and name HB1) (resid 166 and name HA) 1.8 0.0 1.7
assign (resid 166 and name HB2) (resid 166 and name HA) 1.8 0.0 3.2


!inter

assign (resid 166 and name HN) (resid 143 and name HA) 1.8 0.0 7.2   !201512

assign (resid 166 and name HN) (resid 165 and name HA) 1.8 0.0 1.7

assign (resid 166 and name HN) (resid 165 and name HB#) 1.8 0.0 3.2











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