NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage position program type
596344 2n3b 25640 cing 1-original 4 unknown pseudocontact shift


!backbone PCS values, from RM ox minus RM red values
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   2 and name H  )  -0.112 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   3 and name H  )  -0.066 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   4 and name H  )  -0.085 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   5 and name H  )  -0.08  .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   6 and name H  )  -0.206 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   7 and name H  )  -0.078 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   8 and name H  )  -0.076 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   9 and name H  )  -0.245 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  10 and name H  )  -0.290 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  11 and name H  )  0.067  .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  12 and name H  )  -.162 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  13 and name H  )  -0.527 .10
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  15 and name H  )  0.692 .10
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  16 and name H  )  1.07  .10
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  19 and name H  )  2.816 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  20 and name H  )  1.119 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  22 and name H  )  0.339 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  24 and name H  )  0.346 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  25 and name H  )  0.527 .10
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  27 and name H  )  0.420 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  29 and name H  )  -.484 .10
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  31 and name H  )  0.937 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  33 and name H  )  .738 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  34 and name H  )  0.171 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  35 and name H  )  0.007 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  36 and name H  )  -.018 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  37 and name H  )  -.190 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  38 and name H  )  -.177 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  39 and name H  )  -0.043 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  40 and name H  )  0.175 .10
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  41 and name H  )  0.577 .10
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  42 and name H  )  -.827 .10
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  43 and name H  )  -.560 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  46 and name H  )  -.316 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  48 and name H  )  -.507 .10
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  49 and name H  )  -.652 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  50 and name H  )  0.042 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  51 and name H  )  0.240 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  52 and name H  )  0.136 .10
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  53 and name H  )  0.568 .10
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  54 and name H  )  -0.54 .10
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  55 and name H  )  -0.464 .10
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  56 and name H  )  0.715 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  57 and name H  )  0.180 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  58 and name H  )  -0.117 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  59 and name H  )  -0.259 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  60 and name H  )  -0.204 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  61 and name H  )  -0.205 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  62 and name H  )  -0.120 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  63 and name H  )  -0.177 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  64 and name H  )  -0.370 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  65 and name H  )  -0.318 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  66 and name H  )  -0.097 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  67 and name H  )  -0.157 .10
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  68 and name H  )  -0.228 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  69 and name H  )  -0.089 .10
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  70 and name H  )  0.457 .10
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  72 and name H  )  1.702 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  73 and name H  )  0.815 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  74 and name H  )  0.809 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  75 and name H  )  1.136 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  77 and name H  )  0.643 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  78 and name H  )  0.891 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  79 and name H  )  0.299 .10
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  81 and name H  )  0.600 .10
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  82 and name H  )  2.416 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  85 and name H  )  -0.476 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  87 and name H  )  -0.239 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  89 and name H  )  -0.186 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  90 and name H  )  -0.274 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  91 and name H  )  -0.377 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  92 and name H  )  -0.341 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  93 and name H  )  -0.276 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  95 and name H  )  -0.579 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  96 and name H  )  -0.333 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  97 and name H  )  -0.281 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  98 and name H  )  -0.353 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  99 and name H  )  -0.161 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid 100 and name H  )  -0.102 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid 101 and name H  )  -0.002 .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid 102 and name H  )  0.097  .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid 103 and name H  )  0.055  .10
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid 104 and name H  )  0.068  .10
!SC PCS values, from RM ox minus aq red values
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   1 and name HA1 ) -0.152  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   1 and name HA2 ) -0.157  .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid   2 and name HA )  0.469  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   2 and name HB2 ) -0.103  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   2 and name HB1 ) -0.092  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   3 and name HA ) -0.094  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   3 and name HB ) -0.021  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   3 and name HG11 ) -0.040  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   3 and name HG12 ) -0.040  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   3 and name HG13 ) -0.040  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   3 and name HG21 ) -0.020  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   3 and name HG22 ) -0.020  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   3 and name HG23 ) -0.020  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   4 and name HA ) -0.046  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   4 and name HG1 ) -0.062  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   4 and name HG2 ) -0.062  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   4 and name HB1 ) 0.039  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   4 and name HB2 ) 0.039  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   5 and name HA ) -0.101  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   5 and name HB1 ) -0.146  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   5 and name HB2 ) -0.146  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   5 and name HD1 ) -0.287  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   5 and name HD2 ) -0.287  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   5 and name HE1 ) -0.143  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   5 and name HE2 ) -0.143  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   5 and name HG1 ) -0.102  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   5 and name HG2 ) -0.102  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   6 and name HA1 ) -0.244  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   6 and name HA2 ) -0.315  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   7 and name HA ) -0.012  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   7 and name HE1 ) 0.081  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   7 and name HE2 ) 0.081  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   7 and name HB1 ) 0.007  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   7 and name HB2 ) 0.007  .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid   7 and name HD1 ) 0.332  .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid   7 and name HD2 ) 0.332  .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid   7 and name HG1 ) -0.487  .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid   7 and name HG2 ) -0.487  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   8 and name HA ) -0.050  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   8 and name HE1 ) -0.024  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   8 and name HE2 ) -0.024  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   8 and name HB1 ) -0.067  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   8 and name HB2 ) -0.067  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   8 and name HD1 ) -0.032  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
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       ( resid 500 and name Z  )
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assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
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       ( resid 500 and name Y  )
       ( resid   9 and name HA ) -0.359  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
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       ( resid 500 and name Y  )
       ( resid   9 and name HB ) -0.445  .20
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!       ( resid 500 and name Y  )
!       ( resid   9 and name HG12 ) -2.167  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
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       ( resid   9 and name HD11 ) -0.419  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
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       ( resid   9 and name HD12 ) -0.419  .20
assign ( resid 500 and name OO )
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       ( resid  10 and name HA ) -0.582  .20
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       ( resid  11 and name HG22 ) 0.155  .20
assign ( resid 500 and name OO )
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assign ( resid 500 and name OO )
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       ( resid  11 and name HG11 ) 0.204  .20
assign ( resid 500 and name OO )
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assign ( resid 500 and name OO )
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assign ( resid 500 and name OO )
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       ( resid  12 and name HA ) -0.056  .20
assign ( resid 500 and name OO )
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assign ( resid 500 and name OO )
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assign ( resid 500 and name OO )
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assign ( resid 500 and name OO )
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       ( resid  13 and name HA ) -0.663  .20
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!       ( resid  13 and name HE1 ) -0.443  .20
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!       ( resid 500 and name Y  )
!       ( resid  13 and name HE2 ) -0.443  .20
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assign ( resid 500 and name OO )
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!       ( resid 500 and name Y  )
!       ( resid  13 and name HD1 ) -1.234  .20
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!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  13 and name HD2 ) -1.234  .20
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!       ( resid 500 and name Y  )
!       ( resid  13 and name HG1 ) -0.976  .20
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!       ( resid 500 and name Y  )
!       ( resid  13 and name HG2 ) -0.976  .20
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!       ( resid 500 and name Y  )
!       ( resid  15 and name HA ) 2.065  .20
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!       ( resid 500 and name Y  )
!       ( resid  15 and name HB1 ) 0.837  .20
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!       ( resid 500 and name Y  )
!       ( resid  15 and name HB2 ) 0.837  .20
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!       ( resid  15 and name HB3 ) 0.837  .20
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       ( resid  16 and name HA ) 0.775  .20
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       ( resid  16 and name HG2 ) 0.262  .20
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       ( resid  16 and name HG1 ) 0.353  .20
assign ( resid 500 and name OO )
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       ( resid  16 and name HB1 ) 0.48  .20
assign ( resid 500 and name OO )
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       ( resid  16 and name HB2 ) 0.48  .20
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!       ( resid  19 and name HA ) 1.647  .20
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assign ( resid 500 and name OO )
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assign ( resid 500 and name OO )
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assign ( resid 500 and name OO )
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assign ( resid 500 and name OO )
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       ( resid  20 and name HA ) 1.120  .20
assign ( resid 500 and name OO )
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       ( resid  20 and name HB ) 0.727  .20
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!       ( resid  20 and name HG21 ) 0.670  .20
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!       ( resid 500 and name Y  )
!       ( resid  20 and name HG22 ) 0.670  .20
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!       ( resid 500 and name Y  )
!       ( resid  20 and name HG23 ) 0.670  .20
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!       ( resid 500 and name Y  )
!       ( resid  20 and name HG11 ) 1.100  .20
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!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  20 and name HG12 ) 1.100  .20
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!       ( resid 500 and name Y  )
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assign ( resid 500 and name OO )
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       ( resid  21 and name HA ) 0.434  .20
assign ( resid 500 and name OO )
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       ( resid  21 and name HG1 ) 0.703  .20
assign ( resid 500 and name OO )
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       ( resid  21 and name HG2 ) 0.703  .20
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!       ( resid 500 and name Y  )
!       ( resid  21 and name HB1 ) 0.038  .20
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!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  21 and name HB2 ) 0.038  .20
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!       ( resid 500 and name Y  )
!       ( resid  22 and name HA ) -0.260  .20
assign ( resid 500 and name OO )
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       ( resid  22 and name HE1 ) 0.042  .20
assign ( resid 500 and name OO )
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       ( resid  22 and name HE2 ) 0.042  .20
assign ( resid 500 and name OO )
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       ( resid  22 and name HB1 ) -0.129  .20
assign ( resid 500 and name OO )
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       ( resid  22 and name HB2 ) -0.129  .20
!assign ( resid 500 and name OO )
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!       ( resid 500 and name Y  )
!       ( resid  22 and name HD1 ) -0.617  .20
!assign ( resid 500 and name OO )
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!       ( resid 500 and name Y  )
!       ( resid  22 and name HD2 ) -0.617  .20
!assign ( resid 500 and name OO )
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!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  22 and name HG1 ) -0.479  .20
!assign ( resid 500 and name OO )
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!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  22 and name HG2 ) -0.479  .20
assign ( resid 500 and name OO )
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       ( resid  23 and name HA1 ) 0.110   .20
assign ( resid 500 and name OO )
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       ( resid  23 and name HA2 ) 0.171  .20
assign ( resid 500 and name OO )
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       ( resid  24 and name HA1 ) 0.396  .20
assign ( resid 500 and name OO )
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       ( resid  24 and name HA2 ) 0.572  .20
assign ( resid 500 and name OO )
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       ( resid  28 and name HA ) -1.008  .20
!assign ( resid 500 and name OO )
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!       ( resid 500 and name Y  )
!       ( resid  28 and name HG21 ) -2.056  .20
!assign ( resid 500 and name OO )
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!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  28 and name HG22 ) -2.056  .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  28 and name HG23 ) -2.056  .20
!assign ( resid 500 and name OO )
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!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  30 and name HA ) 0.450  .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  30 and name HB1 ) 0.029  .20
assign ( resid 500 and name OO )
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       ( resid  31 and name HA ) 1.896  .20
assign ( resid 500 and name OO )
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       ( resid  31 and name HB2 ) 0.891  .20
assign ( resid 500 and name OO )
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       ( resid  31 and name HB1 ) 0.663  .20
assign ( resid 500 and name OO )
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       ( resid  34 and name HA2 ) -0.039  .20
assign ( resid 500 and name OO )
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assign ( resid 500 and name OO )
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       ( resid  35 and name HA ) 0.006  .20
assign ( resid 500 and name OO )
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       ( resid  35 and name HB1 ) 0.009  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
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       ( resid  35 and name HB2 ) 0.009  .20
!assign ( resid 500 and name OO )
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!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  35 and name HG ) 0.196  .20
assign ( resid 500 and name OO )
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       ( resid  35 and name HD11 ) -0.255  .20
assign ( resid 500 and name OO )
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       ( resid  35 and name HD12 ) -0.255  .20
assign ( resid 500 and name OO )
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       ( resid  35 and name HD13 ) -0.255  .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  35 and name HD21 ) -0.639  .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  35 and name HD22 ) -0.639  .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  35 and name HD23 ) -0.639  .20
assign ( resid 500 and name OO )
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       ( resid 500 and name Y  )
       ( resid  36 and name HA ) -0.189  .20
assign ( resid 500 and name OO )
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       ( resid  36 and name HB2 ) -0.084  .20
assign ( resid 500 and name OO )
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       ( resid  36 and name HB1 ) -0.066  .20
assign ( resid 500 and name OO )
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       ( resid  37 and name HA1 ) -0.048  .20
assign ( resid 500 and name OO )
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       ( resid  37 and name HA2 ) -0.034  .20
assign ( resid 500 and name OO )
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       ( resid  38 and name HA ) -0.100  .20
assign ( resid 500 and name OO )
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       ( resid  38 and name HD1 ) 0.101  .20
assign ( resid 500 and name OO )
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assign ( resid 500 and name OO )
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       ( resid  38 and name HB1 ) -0.235  .20
assign ( resid 500 and name OO )
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assign ( resid 500 and name OO )
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       ( resid  38 and name HG1 ) -0.142  .20
assign ( resid 500 and name OO )
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assign ( resid 500 and name OO )
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       ( resid  39 and name HA ) -0.007  .20
assign ( resid 500 and name OO )
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       ( resid  39 and name HE1 ) -0.048  .20
assign ( resid 500 and name OO )
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       ( resid  39 and name HE2 ) -0.048  .20
assign ( resid 500 and name OO )
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       ( resid  39 and name HB1 ) -0.277  .20
assign ( resid 500 and name OO )
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       ( resid  39 and name HB2 ) -0.277  .20
assign ( resid 500 and name OO )
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       ( resid  39 and name HD1 ) -0.115  .20
assign ( resid 500 and name OO )
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       ( resid  39 and name HD2 ) -0.115  .20
assign ( resid 500 and name OO )
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       ( resid  39 and name HG1 ) -0.116  .20
assign ( resid 500 and name OO )
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       ( resid  39 and name HG2 ) -0.116  .20
assign ( resid 500 and name OO )
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       ( resid  40 and name HB ) -0.059  .20
!assign ( resid 500 and name OO )
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!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  40 and name HA ) -0.359  .20
!assign ( resid 500 and name OO )
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!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  40 and name HG21 ) -0.036  .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  40 and name HG22 ) -0.036  .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  40 and name HG23 ) -0.036  .20
assign ( resid 500 and name OO )
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       ( resid  41 and name HA1 ) -0.218  .20
assign ( resid 500 and name OO )
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       ( resid  41 and name HA2 ) -0.264  .20
assign ( resid 500 and name OO )
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       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  42 and name HA ) -0.090  .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  42 and name HG1 ) 0.321  .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
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!       ( resid  72 and name HB1 )   1.114   .20
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!       ( resid 500 and name Z  )
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!       ( resid 500 and name Y  )
!       ( resid  72 and name HB2 )   1.114   .20
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!       ( resid 500 and name Z  )
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!       ( resid 500 and name Y  )
!       ( resid  72 and name HD1 )   1.176   .20
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!       ( resid 500 and name Z  )
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!       ( resid 500 and name Y  )
!       ( resid  72 and name HD2 )   1.176   .20
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!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  72 and name HG1 )   1.209   .20
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!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  72 and name HG2 )   1.209   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
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       ( resid 500 and name Y  )
       ( resid  73 and name HA )    0.540   .20
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       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  73 and name HE1 )    0.262   .20
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       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  73 and name HE2 )    0.262   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  73 and name HB1 )    0.447   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  73 and name HB2 )    0.447   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  73 and name HG1 )    0.358   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  73 and name HG2 )    0.358   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
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       ( resid 500 and name Y  )
       ( resid  74 and name HA )    0.389   .20
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!       ( resid 500 and name Y  )
!       ( resid  74 and name HB2 )    0.892   .20
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!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  74 and name HB1 )    0.760   .20
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!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  75 and name HD11 )    1.058   .20
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!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  75 and name HD12 )    1.058   .20
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!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  75 and name HD13 )    1.058   .20
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       ( resid 500 and name Y  )
       ( resid  75 and name HG21 )    0.685   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
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       ( resid 500 and name Y  )
       ( resid  75 and name HG22 )    0.685   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
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       ( resid 500 and name Y  )
       ( resid  75 and name HG23 )    0.685   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
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       ( resid  76 and name HA )     0.739   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
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       ( resid 500 and name Y  )
       ( resid  76 and name HD1 )     0.617   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
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       ( resid  76 and name HD2 )     0.617   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
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       ( resid 500 and name Y  )
       ( resid  76 and name HB1 )     0.114   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
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       ( resid 500 and name Y  )
       ( resid  76 and name HB2 )     0.114   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
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       ( resid 500 and name Y  )
       ( resid  76 and name HG1 )     0.188   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
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       ( resid 500 and name Y  )
       ( resid  76 and name HG2 )     0.188   .20
assign ( resid 500 and name OO )
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       ( resid  77 and name HA1 )     0.397   .20
assign ( resid 500 and name OO )
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       ( resid 500 and name Y  )
       ( resid  77 and name HA2 )     0.434   .20
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!       ( resid 500 and name Y  )
!       ( resid  78 and name HB )     1.654   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  78 and name HA )     0.683   .20
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!       ( resid 500 and name Z  )
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!       ( resid 500 and name Y  )
!       ( resid  78 and name HG21 )     2.705   .20
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!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  78 and name HG22 )     2.705   .20
!assign ( resid 500 and name OO )
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!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  78 and name HG23 )     2.705   .20
assign ( resid 500 and name OO )
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       ( resid 500 and name Y  )
       ( resid  79 and name HA )     0.345   .20
assign ( resid 500 and name OO )
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       ( resid 500 and name Y  )
       ( resid  79 and name HD1 )     -0.437   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  79 and name HD2 )     -0.437   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  79 and name HA )     0.345   .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  81 and name HA )     1.542   .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  81 and name HB )     0.043   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  81 and name HG21 )     0.332  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  81 and name HG22 )     0.332  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  81 and name HG23 )     0.332  .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  81 and name HD11 )     0.251   .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  81 and name HD12 )     0.251   .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  81 and name HD13 )     0.251   .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  82 and name HA )     -0.626   .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  82 and name HB2 )     0.909   .20
assign ( resid 500 and name OO )
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       ( resid 500 and name Y  )
       ( resid  83 and name HB1 )     0.161  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  83 and name HB2 )     0.161  .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  83 and name HB3 )     0.161  .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  84 and name HA2 )     0.193   .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  84 and name HA1 )     -0.084   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  85 and name HA )     -0.382   .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  85 and name HB )     -0.837   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  85 and name HG21 )     -0.535   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  85 and name HG22 )     -0.535   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  85 and name HG23 )     -0.535   .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  85 and name HD11 )     -1.236   .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  85 and name HD12 )     -1.236   .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  85 and name HD13 )     -1.236   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  86 and name HA )     -0.077   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  86 and name HE1 )     0.045   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  86 and name HE2 )     0.045   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  86 and name HB1 )     -0.088   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  86 and name HB2 )     -0.088   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  86 and name HD1 )     0.032   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  86 and name HD2 )     0.032   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  86 and name HG1 )     -0.029   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  86 and name HG2 )     -0.029   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  87 and name HA )     -0.102   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  87 and name HE1 )     -0.111   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  87 and name HE2 )     -0.111   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  87 and name HG1 )     0.052   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  87 and name HG2 )     0.052   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  88 and name HA )     -0.171   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  88 and name HE1 )     -0.104   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  88 and name HE2 )     -0.104   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  88 and name HB1 )     -0.108   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  88 and name HB2 )     -0.108   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  88 and name HD1 )     -0.050   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  88 and name HD2 )     -0.050   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  88 and name HG1 )     -0.082   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  88 and name HG2 )     -0.082   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  89 and name HB )     -0.151   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  89 and name HA )     -0.095   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  89 and name HG21 )     -0.086   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  89 and name HG22 )     -0.086   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  89 and name HG23 )     -0.086   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  90 and name HA )     -0.374   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  90 and name HG1 )     -0.296   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  90 and name HG2 )     -0.296   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  90 and name HB1 )     -0.366   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  90 and name HB2 )     -0.366   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  91 and name HA )     -0.618   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  91 and name HD1 )     -0.365   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  91 and name HD2 )     -0.365   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  91 and name HB1 )     -0.523   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  91 and name HB2 )     -0.523   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  92 and name HA )     -0.356   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  92 and name HG1 )     -0.042   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  92 and name HG2 )     -0.042   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  92 and name HB1 )     0.050   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  92 and name HB2 )     0.050   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  93 and name HB1 )     -0.302   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  93 and name HB2 )     -0.302   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  94 and name HA )     -0.475   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  94 and name HB2 )     -0.849   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  94 and name HB1 )     -0.776   .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  94 and name HD11 )     -0.967   .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  94 and name HD12 )     -0.967   .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  94 and name HD13 )     -0.967   .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  94 and name HD21 )     -1.781   .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  94 and name HD22 )     -1.781   .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  94 and name HD23 )     -1.781   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  95 and name HA )     -0.657   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  95 and name HB )     -0.339   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  95 and name HG21 )     -0.412   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  95 and name HG22 )     -0.412   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  95 and name HG23 )     -0.412   .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  95 and name HG12 )     -0.393   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  95 and name HD11 )     -0.549   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  95 and name HD12 )     -0.549   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  95 and name HD13 )     -0.549   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  96 and name HA )     -0.175   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  96 and name HB1 )     -0.169   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  96 and name HB2 )     -0.169   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  96 and name HB3 )     -0.169   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  97 and name HA )     -0.083   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  97 and name HB2 )     -0.127   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  97 and name HB1 )     -0.305   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  98 and name HA )     -0.083   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  98 and name HB1 )     -0.518   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  98 and name HB2 )     -0.518   .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  98 and name HG )     -0.344   .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  98 and name HD21 )     -0.226   .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  98 and name HD22 )     -0.226   .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  98 and name HD23 )     -0.226   .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  98 and name HD11 )     -1.215   .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  98 and name HD12 )     -1.215   .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  98 and name HD13 )     -1.215   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  99 and name HA )     -0.118   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  99 and name HB1 )     -0.121   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  99 and name HB2 )     -0.121   .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  99 and name HG1 )      0.346   .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid  99 and name HG2 )      0.346   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid 100 and name HA )     -0.003   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid 100 and name HE1 )     0.061   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid 100 and name HE2 )     0.061   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid 100 and name HB1 )     0.036   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid 100 and name HB2 )     0.036   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid 100 and name HD1 )     0.079   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid 100 and name HD2 )     0.079   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid 100 and name HG1 )     0.016   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid 100 and name HG2 )     0.016   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid 101 and name HA )     0.203   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid 101 and name HB1 )     0.231   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid 101 and name HB2 )     0.231   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid 101 and name HB3 )     0.231   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid 102 and name HB )     0.006   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid 102 and name HA )     0.234   .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid 102 and name HG21 )     0.224   .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid 102 and name HG22 )     0.224   .20
!assign ( resid 500 and name OO )
!       ( resid 500 and name Z  )
!       ( resid 500 and name X  )
!       ( resid 500 and name Y  )
!       ( resid 102 and name HG23 )     0.224   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid 103 and name HA )     -0.029   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid 103 and name HB2 )     -0.019   .20
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid 103 and name HB1 )     -0.046   .20



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