*HEADER    HYDROLASE                               27-OCT-98   2XBD      
*TITLE     INTERNAL XYLAN BINDING DOMAIN FROM CELLULOMONAS FIMI          
*TITLE    2 XYLANASE D, NMR, MINIMIZED AVERAGE STRUCTURE                 
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: XYLANASE D;                                        
*COMPND   3 CHAIN: NULL;                                                 
*COMPND   4 FRAGMENT: XYLAN BINDING DOMAIN 1;                            
*COMPND   5 SYNONYM: XBD1, ENDO-1,4-BETA-XYLANASE D;                     
*COMPND   6 EC: 3.2.1.8;                                                 
*COMPND   7 ENGINEERED: YES                                              
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 ORGANISM_SCIENTIFIC: CELLULOMONAS FIMI;                      
*SOURCE   3 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                         
*SOURCE   4 EXPRESSION_SYSTEM_STRAIN: JM83                               
*KEYWDS    HYDROLASE, XYLAN BINDING DOMAIN, XYLANASE, BETA-SHEET         
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                              
*AUTHOR    P.J.SIMPSON,D.N.BOLAM,A.COOPER,A.CIRUELA,G.P.HAZLEWOOD,       
*AUTHOR   2 H.J.GILBERT,M.P.WILLIAMSON                                   
*REVDAT   1   12-OCT-04 2XBD    0   

! 905 NOE cons in total, plus 52 H-bond cons (26 H-bonds)
! 205 ambigs in xbd_ambigs_to_use file
!----
!1110 Total NOEs
!
assign (resid 247 and name   ha )
       (resid 248 and name   hn )      3.70 1.80 0.00 !  6     !!3D!!
 
assign (resid 248 and name  ha+ )
       (resid 249 and name   hn )      2.50 0.60 0.00 ! 10           
 
assign (resid 248 and name   hn )
       (resid 248 and name  ha+ )      2.50 0.60 0.00 ! 10     !!3D!!
 
assign (resid 249 and name   ha )
       (resid 271 and name  ha1 )      4.51 2.61 0.00 !  4           
 
assign (resid 249 and name   ha )
       (resid 250 and name   hn )      2.50 0.60 0.00 ! 10           
 
assign (resid 249 and name  hb2 )
       (resid 250 and name   hn )      3.70 1.80 0.00 !  6           
 
assign (resid 249 and name  hb1 )
       (resid 249 and name   ha )      3.35 1.45 0.00 !  7           

! Next con made ambig 05jul98... 
!assign (resid 249 and name  hb1 )
       !(resid 269 and name hg1+ )      3.70 1.80 0.00 !  6           
 
assign (resid 249 and name   hn )
       (resid 249 and name   ha )      3.70 1.80 0.00 !  6           
 
assign (resid 249 and name   hn )
       (resid 249 and name  hb1 )      4.08 2.18 0.00 !  5           
 
assign (resid 250 and name   ha )
       (resid 251 and name hg1+ )      4.97 3.07 0.00 !  3
           
assign (resid 250 and name   ha )
       (resid 251 and name hg2+ )      4.51 2.61 0.00 !  4
 
assign (resid 250 and name   ha )
       (resid 251 and name   hn )      2.50 0.60 0.00 ! 10           
 
assign (resid 250 and name  hb+ )
       (resid 250 and name   ha )      2.50 0.60 0.00 ! 10           
 
assign (resid 250 and name   hn )
       (resid 250 and name  hb+ )      3.70 1.80 0.00 !  6     !!3D!!
 
assign (resid 250 and name   hn )
       (resid 270 and name   hn )      4.08 2.18 0.00 !  5     !!3D!!
 
assign (resid 250 and name   hn )
       (resid 269 and name   ha )      5.50 3.60 0.00 !  2     !!3D!!
 
assign (resid 250 and name   hn )
       (resid 269 and name hg1+ )      4.51 2.61 0.00 !  4     !!3D!!
 
assign (resid 251 and name   ha )
       (resid 270 and name   hn )      5.50 3.60 0.00 !  2     !!3D!!
 
assign (resid 251 and name   ha )
       (resid 252 and name   hn )      2.50 0.60 0.00 ! 10     !!3D!!
 
assign (resid 251 and name   ha )
       (resid 269 and name   ha )      3.04 1.14 0.00 !  8           
 
assign (resid 251 and name   hb )
       (resid 252 and name   hn )      5.50 3.60 0.00 !  2     !!3D!!
 
assign (resid 251 and name   hb )
       (resid 251 and name   ha )      3.35 1.45 0.00 !  7           
 
assign (resid 251 and name   hb )
       (resid 269 and name hg1+ )      5.50 3.60 0.00 !  2

assign (resid 251 and name   hb )
       (resid 269 and name hg2+ )      3.70 1.80 0.00 !  6
 
assign (resid 251 and name hg++ )
       (resid 252 and name   hn )      3.04 1.14 0.00 !  8     !!3D!!
 
assign (resid 251 and name hg1+ )
       (resid 330 and name  hb+ )      3.70 1.80 0.00 !  6           

assign (resid 251 and name hg2+ )
       (resid 330 and name  hb+ )      4.08 2.18 0.00 !  5
 
assign (resid 251 and name hg1+ )
       (resid 330 and name   hn )      4.51 2.61 0.00 !  4           
 
assign (resid 251 and name hg1+ )
       (resid 268 and name   hn )      4.97 3.07 0.00 !  3           
 
assign (resid 251 and name hg1+ )
       (resid 251 and name   ha )      2.75 0.85 0.00 !  9
 
assign (resid 251 and name hg2+ )
       (resid 251 and name   ha )      3.04 1.14 0.00 !  8

assign (resid 251 and name hg1+ )
       (resid 269 and name   ha )      4.08 2.18 0.00 !  5           
 
assign (resid 251 and name hg1+ )
       (resid 267 and name  he+ )      4.08 2.18 0.00 !  5           
 
assign (resid 251 and name hg2+ )
       (resid 329 and name   ha )      2.50 0.60 0.00 ! 10           
 
assign (resid 251 and name   hn )
       (resid 251 and name   ha )      4.08 2.18 0.00 !  5     !!3D!!
 
assign (resid 251 and name   hn )
       (resid 251 and name   hb )      4.08 2.18 0.00 !  5           
 
assign (resid 251 and name   hn )
       (resid 251 and name hg1+ )      4.51 2.61 0.00 !  4

assign (resid 251 and name   hn )
       (resid 251 and name hg2+ )      3.04 1.14 0.00 !  8
 
assign (resid 252 and name   ha )
       (resid 253 and name   hn )      2.50 0.60 0.00 ! 10     !!3D!!
 
assign (resid 252 and name   hb )
       (resid 253 and name   hn )      3.70 1.80 0.00 !  6     !!3D!!
 
assign (resid 252 and name hg2+ )
       (resid 252 and name   ha )      3.04 1.14 0.00 !  8           
 
assign (resid 252 and name   hn )
       (resid 268 and name   hn )      5.50 3.60 0.00 !  2           
 
assign (resid 252 and name   hn )
       (resid 252 and name   ha )      4.97 3.07 0.00 !  3     !!3D!!
 
assign (resid 252 and name   hn )
       (resid 252 and name   hb )      3.70 1.80 0.00 !  6     !!3D!!
 
assign (resid 252 and name   hn )
       (resid 252 and name hg2+ )      4.08 2.18 0.00 !  5     !!3D!!
 
assign (resid 252 and name   hn )
       (resid 269 and name   ha )      5.50 3.60 0.00 !  2     !!3D!!
 
assign (resid 253 and name   ha )
       (resid 254 and name   hn )      2.50 0.60 0.00 ! 10           
 
assign (resid 253 and name   ha )
       (resid 265 and name hg1+ )      4.97 3.07 0.00 !  3           
 
assign (resid 253 and name   ha )
       (resid 267 and name  hd+ )      4.51 2.61 0.00 !  4           
 
assign (resid 253 and name   ha )
       (resid 267 and name  he+ )      5.50 3.60 0.00 !  2           
 
assign (resid 253 and name   hn )
       (resid 253 and name  hb+ )      2.50 0.60 0.00 ! 10     !!3D!!
 
assign (resid 254 and name   ha )
       (resid 255 and name   hn )      2.50 0.60 0.00 ! 10           
 
assign (resid 254 and name   hb )
       (resid 254 and name   ha )      4.08 2.18 0.00 !  5           
 
assign (resid 254 and name hg2+ )
       (resid 255 and name   hn )      3.70 1.80 0.00 !  6           
 
assign (resid 254 and name hg2+ )
       (resid 254 and name   ha )      2.50 0.60 0.00 ! 10           
 
assign (resid 254 and name   hn )
       (resid 254 and name   hb )      3.70 1.80 0.00 !  6     !!3D!!
 
assign (resid 254 and name   hn )
       (resid 266 and name   hn )      4.51 2.61 0.00 !  4     !!3D!!
 
assign (resid 254 and name   hn )
       (resid 265 and name hg1+ )      4.08 2.18 0.00 !  5     !!3D!!
 
assign (resid 255 and name   ha )
       (resid 266 and name   hn )      4.97 3.07 0.00 !  3     !!3D!!
 
assign (resid 255 and name   ha )
       (resid 265 and name hg1+ )      4.08 2.18 0.00 !  5

assign (resid 255 and name   ha )
       (resid 265 and name hg2+ )      4.08 2.18 0.00 !  5
 
assign (resid 255 and name  hb1 )
       (resid 256 and name   hn )      4.51 2.61 0.00 !  4     !!3D!!
 
assign (resid 255 and name  hd+ )
       (resid 256 and name   hn )      4.97 3.07 0.00 !  3     !!3D!!
 
assign (resid 255 and name  hd+ )
       (resid 255 and name   ha )      3.35 1.45 0.00 !  7           
 
assign (resid 255 and name   he )
       (resid 263 and name  hd+ )      5.50 3.60 0.00 !  1     !!3D!!
 
assign (resid 255 and name   he )
       (resid 255 and name  hb1 )      4.08 2.18 0.00 !  5           
 
assign (resid 255 and name   he )
       (resid 255 and name  hd+ )      2.75 0.85 0.00 !  9           
 
assign (resid 255 and name   he )
       (resid 255 and name  hg+ )      5.50 3.60 0.00 !  2           
 
assign (resid 255 and name   hn )
       (resid 255 and name  hb1 )      4.08 2.18 0.00 !  5           
 
assign (resid 255 and name   hn )
       (resid 255 and name  hg+ )      4.97 3.07 0.00 !  3           
 
assign (resid 256 and name   ha )
       (resid 257 and name   hn )      4.51 2.61 0.00 !  4     !!3D!!
 
assign (resid 256 and name  hb+ )
       (resid 257 and name   hn )      2.50 0.60 0.00 ! 10           
 
assign (resid 256 and name  hb+ )
       (resid 264 and name  hb2 )      3.35 1.45 0.00 !  7           
 
assign (resid 256 and name  hb+ )
       (resid 264 and name hd21 )      4.97 3.07 0.00 !  3     !!3D!!
 
assign (resid 256 and name  hb+ )
       (resid 264 and name   hn )      5.50 3.60 0.00 !  2     !!3D!!
 
assign (resid 256 and name  hb+ )
       (resid 266 and name   hn )      5.50 3.60 0.00 !  2     !!3D!!
 
assign (resid 256 and name   hn )
       (resid 256 and name  hb+ )      3.04 1.14 0.00 !  8           
 
assign (resid 256 and name   hn )
       (resid 257 and name   hn )      4.97 3.07 0.00 !  3     !!3D!!
 
assign (resid 256 and name   hn )
       (resid 265 and name   ha )      4.08 2.18 0.00 !  5     !!3D!!
 
assign (resid 256 and name   hn )
       (resid 265 and name hg2+ )      5.50 3.60 0.00 !  2     !!3D!!
 
assign (resid 257 and name   ha )
       (resid 258 and name   hn )      2.50 0.60 0.00 ! 10           
 
assign (resid 257 and name  hb1 )
       (resid 257 and name   ha )      3.35 1.45 0.00 !  7           
 
assign (resid 257 and name  hb1 )
       (resid 258 and name   hn )      4.08 2.18 0.00 !  5           
 
assign (resid 257 and name  hb1 )
       (resid 259 and name  he1 )      5.50 3.60 0.00 !  1           
 
assign (resid 257 and name  hb2 )
       (resid 259 and name  hh2 )      4.97 3.07 0.00 !  3           
 
assign (resid 257 and name  hb2 )
       (resid 259 and name  hz3 )      4.97 3.07 0.00 !  3           
 
assign (resid 257 and name  hb2 )
       (resid 264 and name hd21 )      4.08 2.18 0.00 !  5     !!3D!!
 
assign (resid 257 and name  hb2 )
       (resid 264 and name   hn )      5.50 3.60 0.00 !  1     !!3D!!
 
assign (resid 257 and name  hg+ )
       (resid 259 and name  hh2 )      5.50 3.60 0.00 !  1           
 
assign (resid 257 and name   hn )
       (resid 257 and name   ha )      3.04 1.14 0.00 !  8     !!3D!!
 
assign (resid 257 and name   hn )
       (resid 257 and name  hb2 )      3.35 1.45 0.00 !  7           
 
assign (resid 257 and name   hn )
       (resid 257 and name  hg+ )      3.70 1.80 0.00 !  6           
 
assign (resid 257 and name   hn )
       (resid 258 and name   hn )      5.50 3.60 0.00 !  1     !!3D!!
 
assign (resid 257 and name   hn )
       (resid 264 and name  hb2 )      3.70 1.80 0.00 !  6           
 
assign (resid 257 and name   hn )
       (resid 264 and name hd21 )      5.50 3.60 0.00 !  2     !!3D!!
 
assign (resid 257 and name   hn )
       (resid 264 and name   hn )      5.50 3.60 0.00 !  2     !!3D!!
 
assign (resid 258 and name   ha )
       (resid 263 and name   ha )      3.04 1.14 0.00 !  8           
 
assign (resid 258 and name   ha )
       (resid 259 and name   hn )      3.04 1.14 0.00 !  8     !303K
 
assign (resid 259 and name   ha )
       (resid 260 and name   hn )      3.35 1.45 0.00 !  7     !!3D!!
 
assign (resid 259 and name  hb1 )
       (resid 261 and name   hn )      4.97 3.07 0.00 !  3     !!3D!!
 
assign (resid 259 and name  hb2 )
       (resid 262 and name   hn )      4.08 2.18 0.00 !  5           
 
assign (resid 259 and name  hd1 )
       (resid 259 and name   ha )      4.08 2.18 0.00 !  5           
 
assign (resid 259 and name  hd1 )
       (resid 259 and name  hb1 )      3.35 1.45 0.00 !  7           
 
assign (resid 259 and name  he3 )
       (resid 263 and name   ha )      3.04 1.14 0.00 !  8           
 
assign (resid 259 and name  he3 )
       (resid 264 and name   hn )      5.50 3.60 0.00 !  2           
 
assign (resid 259 and name  he3 )
       (resid 259 and name  hb2 )      3.35 1.45 0.00 !  7           
 
assign (resid 259 and name  hh2 )
       (resid 264 and name hd22 )      4.08 2.18 0.00 !  5           
 
assign (resid 259 and name   hn )
       (resid 263 and name   ha )      4.51 2.61 0.00 !  4           
 
assign (resid 259 and name   hn )
       (resid 263 and name  hb+ )      5.50 3.60 0.00 !  2           
 
assign (resid 259 and name   hn )
       (resid 262 and name   hn )      5.50 3.60 0.00 !  2           
 
assign (resid 259 and name   hn )
       (resid 259 and name   ha )      4.51 2.61 0.00 !  4           
 
assign (resid 259 and name   hn )
       (resid 259 and name  hb2 )      4.97 3.07 0.00 !  3           
 
assign (resid 259 and name   hn )
       (resid 259 and name  he3 )      3.70 1.80 0.00 !  6           
 
assign (resid 259 and name  hz3 )
       (resid 263 and name   ha )      4.97 3.07 0.00 !  3           
 
assign (resid 259 and name  hz3 )
       (resid 264 and name   hn )      4.97 3.07 0.00 !  3           
 
assign (resid 260 and name  hb+ )
       (resid 261 and name   hn )      3.70 1.80 0.00 !  6     !!3D!!
 
assign (resid 261 and name   ha )
       (resid 262 and name   hn )      4.51 2.61 0.00 !  4           
 
assign (resid 261 and name  hb2 )
       (resid 261 and name   ha )      2.75 0.85 0.00 !  9           
 
assign (resid 261 and name   hn )
       (resid 261 and name   ha )      4.08 2.18 0.00 !  5     !!3D!!
 
assign (resid 261 and name   hn )
       (resid 261 and name  hb1 )      4.97 3.07 0.00 !  3           
 
assign (resid 261 and name   hn )
       (resid 262 and name   hn )      3.04 1.14 0.00 !  8           
 
assign (resid 262 and name   ha )
       (resid 263 and name  hd+ )      4.08 2.18 0.00 !  5           
 
assign (resid 262 and name   ha )
       (resid 263 and name   hn )      2.50 0.60 0.00 ! 10           
 
assign (resid 262 and name   ha )
       (resid 319 and name   hn )      2.75 0.85 0.00 !  9           
 
assign (resid 262 and name   ha )
       (resid 318 and name   ha )      3.04 1.14 0.00 !  8           
!V317 
!assign (resid 262 and name   ha )
       !(resid 317 and name hg++ )      5.50 3.60 0.00 !  1           
 
assign (resid 262 and name  hb1 )
       (resid 263 and name   hn )      5.50 3.60 0.00 !  2     !!3D!!
 
assign (resid 262 and name  hd+ )
       (resid 316 and name hg2+ )      2.75 0.85 0.00 !  9           
 
assign (resid 262 and name   he )
       (resid 262 and name  hb1 )      5.50 3.60 0.00 !  2           
 
assign (resid 262 and name   he )
       (resid 262 and name  hd+ )      3.70 1.80 0.00 !  6           
 
assign (resid 262 and name   he )
       (resid 262 and name  hg+ )      4.51 2.61 0.00 !  4     !!3D!!
 
assign (resid 262 and name   he )
       (resid 316 and name hg2+ )      4.97 3.07 0.00 !  3     !!3D!!
 
assign (resid 262 and name   hn )
       (resid 262 and name   ha )      4.08 2.18 0.00 !  5           
 
assign (resid 263 and name   ha )
       (resid 263 and name  hb+ )      2.50 0.60 0.00 ! 10           
 
assign (resid 263 and name   ha )
       (resid 264 and name   hn )      2.50 0.60 0.00 ! 10           
 
assign (resid 263 and name  hb+ )
       (resid 264 and name   hn )      3.70 1.80 0.00 !  6           
 
assign (resid 263 and name  hd+ )
       (resid 263 and name   ha )      4.97 3.07 0.00 !  3           
 
assign (resid 263 and name  hd+ )
       (resid 264 and name   hn )      5.50 3.60 0.00 !  2           
 
assign (resid 263 and name  hd+ )
       (resid 265 and name hg1+ )      4.51 2.61 0.00 !  4

assign (resid 263 and name  hd+ )
       (resid 265 and name hg2+ )      2.50 0.60 0.00 ! 10           
!V317
assign (resid 263 and name  hd+ )
       (resid 317 and name hg2+ )      4.97 3.07 0.00 !  3
! 
!assign (resid 263 and name  hd+ )
       !(resid 317 and name hg++ )      3.35 1.45 0.00 !  7           
 
assign (resid 263 and name  he+ )
       (resid 325 and name hg2+ )      4.08 2.18 0.00 !  5           
 
assign (resid 263 and name  he+ )
       (resid 265 and name hg1+ )      4.51 2.61 0.00 !  4

assign (resid 263 and name  he+ )
       (resid 265 and name hg2+ )      2.50 0.60 0.00 ! 10           

!Next con made ambiguous (in ambigs file) 03jul98 
!assign (resid 263 and name  he+ )
       !(resid 317 and name   hb )      4.97 3.07 0.00 !  3           
!V317 
assign (resid 263 and name  he+ )
       (resid 317 and name hg2+ )      4.08 2.18 0.00 !  5
!
!assign (resid 263 and name  he+ )
       !(resid 317 and name hg++ )      2.75 0.85 0.00 !  9           
 
assign (resid 263 and name   hn )
       (resid 263 and name   ha )      4.97 3.07 0.00 !  3     !!3D!!
 
assign (resid 263 and name   hn )
       (resid 263 and name  hb+ )      5.50 3.60 0.00 !  2           
 
assign (resid 263 and name   hn )
       (resid 263 and name  hd+ )      3.70 1.80 0.00 !  6           
 
assign (resid 263 and name   hn )
       (resid 316 and name hg2+ )      4.97 3.07 0.00 !  3     !!3D!!
!V317 
!assign (resid 263 and name   hn )
       !(resid 317 and name hg++ )      3.70 1.80 0.00 !  6           
 
assign (resid 263 and name   hn )
       (resid 317 and name   hn )      4.08 2.18 0.00 !  5           
 
assign (resid 263 and name   hz )
       (resid 285 and name he2+ )      3.70 1.80 0.00 !  6           
 
assign (resid 263 and name   hz )
       (resid 265 and name hg2+ )      4.51 2.61 0.00 !  4           
!V317
assign (resid 263 and name   hz )
       (resid 317 and name hg2+ )      4.51 2.61 0.00 !  4
! 
!assign (resid 263 and name   hz )
       !(resid 317 and name hg++ )      3.04 1.14 0.00 !  8           
 
assign (resid 264 and name   ha )
       (resid 264 and name  hb1 )      3.70 1.80 0.00 !  6           
 
assign (resid 264 and name   ha )
       (resid 316 and name   ha )      3.04 1.14 0.00 !  8           
 
assign (resid 264 and name   ha )
       (resid 265 and name   hn )      2.50 0.60 0.00 ! 10           
 
assign (resid 264 and name   ha )
       (resid 315 and name   hn )      5.50 3.60 0.00 !  1     !!3D!!
 
assign (resid 264 and name   ha )
       (resid 317 and name   hn )      5.50 3.60 0.00 !  2           
 
assign (resid 264 and name  hb1 )
       (resid 265 and name   hn )      4.51 2.61 0.00 !  4           
 
assign (resid 264 and name hd21 )
       (resid 264 and name  hb2 )      3.35 1.45 0.00 !  7           
 
assign (resid 264 and name   hn )
       (resid 264 and name   ha )      4.51 2.61 0.00 !  4           
 
assign (resid 264 and name   hn )
       (resid 264 and name  hb2 )      3.35 1.45 0.00 !  7           
 
assign (resid 265 and name   ha )
       (resid 266 and name   hn )      2.50 0.60 0.00 ! 10     !!3D!!
 
assign (resid 265 and name   hb )
       (resid 266 and name   hn )      5.50 3.60 0.00 !  2     !!3D!!
 
assign (resid 265 and name   hb )
       (resid 315 and name   hn )      5.50 3.60 0.00 !  1     !!3D!!
 
assign (resid 265 and name hg1+ )
       (resid 266 and name   hn )      3.35 1.45 0.00 !  7

assign (resid 265 and name hg2+ )
       (resid 266 and name   hn )      4.51 2.61 0.00 !  4
 
assign (resid 265 and name hg1+ )
       (resid 265 and name   ha )      3.04 1.14 0.00 !  8

assign (resid 265 and name hg2+ )
       (resid 265 and name   ha )      3.04 1.14 0.00 !  8
 
assign (resid 265 and name hg1+ )
       (resid 267 and name  hd+ )      3.70 1.80 0.00 !  6           
 
assign (resid 265 and name hg1+ )
       (resid 267 and name  he+ )      2.75 0.85 0.00 !  9           

assign (resid 265 and name hg2+ )
       (resid 267 and name  he+ )      4.97 3.07 0.00 !  3
 
assign (resid 265 and name hg1+ )
       (resid 267 and name   hh )      4.08 2.18 0.00 !  5

assign (resid 265 and name hg2+ )
       (resid 267 and name   hh )      4.97 3.07 0.00 !  3

!Next one removed as I think has been duplicated with 265gammaprime-other
!P326delta... 
!assign (resid 265 and name hg2+ )
       !(resid 326 and name  hd+ )      4.97 3.07 0.00 !  3           
!V317
assign (resid 265 and name hg2+ )
       (resid 317 and name hg2+ )      3.04 1.14 0.00 !  8
!       
!assign (resid 265 and name hg++ )
       !(resid 317 and name hg++ )      2.75 0.85 0.00 !  9           
 
assign (resid 265 and name   hn )
       (resid 316 and name   ha )      4.51 2.61 0.00 !  4           
 
assign (resid 265 and name   hn )
       (resid 265 and name   hb )      3.70 1.80 0.00 !  6     !!3D!!
 
assign (resid 265 and name   hn )
       (resid 265 and name hg1+ )      4.97 3.07 0.00 !  3

assign (resid 265 and name   hn )
       (resid 265 and name hg2+ )      4.08 2.18 0.00 !  5
 
assign (resid 265 and name   hn )
       (resid 315 and name hg++ )      4.08 2.18 0.00 !  5           
 
assign (resid 265 and name   hn )
       (resid 315 and name   hn )      4.08 2.18 0.00 !  5           
 
assign (resid 266 and name   ha )
       (resid 315 and name   hn )      5.50 3.60 0.00 !  2           
 
assign (resid 266 and name   ha )
       (resid 267 and name   hn )      4.51 2.61 0.00 !  4     !!3D!!
 
assign (resid 266 and name   hb )
       (resid 266 and name   ha )      3.70 1.80 0.00 !  6           
 
assign (resid 266 and name   hb )
       (resid 267 and name   hn )      5.50 3.60 0.00 !  2     !!3D!!
 
assign (resid 266 and name hg2+ )
       (resid 266 and name   ha )      3.04 1.14 0.00 !  8           
 
assign (resid 266 and name hg2+ )
       (resid 291 and name  he1 )      4.97 3.07 0.00 !  3           
 
assign (resid 266 and name hg2+ )
       (resid 291 and name  hz2 )      4.51 2.61 0.00 !  4           
 
assign (resid 266 and name hg2+ )
       (resid 267 and name   hn )      3.35 1.45 0.00 !  7     !!3D!!
 
assign (resid 266 and name   hn )
       (resid 266 and name   hb )      3.35 1.45 0.00 !  7     !!3D!!
 
assign (resid 266 and name   hn )
       (resid 266 and name hg2+ )      4.97 3.07 0.00 !  3     !!3D!!
 
assign (resid 267 and name   ha )
       (resid 268 and name   hn )      2.50 0.60 0.00 ! 10           
 
assign (resid 267 and name  hb2 )
       (resid 313 and name   hn )      5.50 3.60 0.00 !  1     !!3D!!
 
assign (resid 267 and name  hb1 )
       (resid 267 and name   ha )      3.70 1.80 0.00 !  6           
 
assign (resid 267 and name  hb1 )
       (resid 268 and name   hn )      4.51 2.61 0.00 !  4     !!3D!!
 
assign (resid 267 and name  hd+ )
       (resid 328 and name  hb+ )      2.75 0.85 0.00 !  9           

! Next con made ambig 03jul98... 
!assign (resid 267 and name  hd+ )
       !(resid 279 and name hd++ )      3.70 1.80 0.00 !  6           
 
assign (resid 267 and name  he+ )
       (resid 328 and name  hb+ )      2.50 0.60 0.00 ! 10           
 
assign (resid 267 and name  he+ )
       (resid 328 and name   hn )      5.50 3.60 0.00 !  1     !!3D!!
 
assign (resid 267 and name  he+ )
       (resid 279 and name hd1+ )      3.35 1.45 0.00 !  7

assign (resid 267 and name  he+ )
       (resid 279 and name hd2+ )      3.70 1.80 0.00 !  6           
 
assign (resid 267 and name  he+ )
       (resid 267 and name   hn )      5.50 3.60 0.00 !  2           
 
assign (resid 267 and name   hh )
       (resid 328 and name  hb+ )      4.08 2.18 0.00 !  5           
 
assign (resid 267 and name   hh )
       (resid 279 and name hd2+ )      3.70 1.80 0.00 !  6

assign (resid 267 and name   hh )
       (resid 279 and name hd1+ )      4.08 2.18 0.00 !  5
 
assign (resid 267 and name   hh )
       (resid 315 and name hg++ )      5.50 3.60 0.00 !  2           
 
assign (resid 267 and name   hn )
       (resid 267 and name   ha )      4.51 2.61 0.00 !  4     !!3D!!
 
assign (resid 267 and name   hn )
       (resid 267 and name  hb2 )      3.70 1.80 0.00 !  6           
 
assign (resid 267 and name   hn )
       (resid 267 and name  hd+ )      3.70 1.80 0.00 !  6           
 
assign (resid 268 and name   ha )
       (resid 312 and name   ha )      2.50 0.60 0.00 ! 10           
 
assign (resid 268 and name   ha )
       (resid 269 and name   hn )      2.50 0.60 0.00 ! 10           
 
assign (resid 268 and name  hb+ )
       (resid 268 and name   ha )      3.35 1.45 0.00 !  7           

! Next con made ambig 03jul98... 
!assign (resid 268 and name  hb+ )
       !(resid 269 and name   hn )      4.08 2.18 0.00 !  5     !!3D!!
 
assign (resid 268 and name   hn )
       (resid 268 and name   ha )      4.08 2.18 0.00 !  5           
 
assign (resid 268 and name   hn )
       (resid 268 and name  hb+ )      3.35 1.45 0.00 !  7           
 
assign (resid 269 and name   ha )
       (resid 270 and name   hn )      2.50 0.60 0.00 ! 10           
 
assign (resid 269 and name   hb )
       (resid 269 and name   ha )      4.51 2.61 0.00 !  4           
 
assign (resid 269 and name   hb )
       (resid 275 and name  he1 )      4.08 2.18 0.00 !  5     !!3D!!

! Next con made ambig 05jul98... 
!assign (resid 269 and name hg2+ )
       !(resid 330 and name   ha )      4.08 2.18 0.00 !  5           
 
assign (resid 269 and name hg2+ )
       (resid 313 and name  hd+ )      4.97 3.07 0.00 !  3           
 
assign (resid 269 and name hg2+ )
       (resid 313 and name  he+ )      5.50 3.60 0.00 !  2           
 
assign (resid 269 and name hg2+ )
       (resid 313 and name   hz )      4.51 2.61 0.00 !  4           
 
assign (resid 269 and name hg1+ )
       (resid 270 and name   hn )      3.35 1.45 0.00 !  7     !!3D!!

assign (resid 269 and name hg2+ )
       (resid 270 and name   hn )      5.50 3.60 0.00 !  2
 
assign (resid 269 and name hg1+ )
       (resid 269 and name   ha )      2.50 0.60 0.00 ! 10

assign (resid 269 and name hg2+ )
       (resid 269 and name   ha )      2.75 0.85 0.00 !  9           
 
assign (resid 269 and name hg1+ )
       (resid 275 and name  hd1 )      2.75 0.85 0.00 !  9           

assign (resid 269 and name hg2+ )
       (resid 275 and name  hd1 )      5.50 3.60 0.00 !  2
 
assign (resid 269 and name hg1+ )
       (resid 275 and name  he1 )      4.08 2.18 0.00 !  5

assign (resid 269 and name hg2+ )
       (resid 275 and name  he1 )      5.50 3.60 0.00 !  1
 
assign (resid 269 and name hg1+ )
       (resid 275 and name  he3 )      5.50 3.60 0.00 !  1

assign (resid 269 and name hg2+ )
       (resid 275 and name  he3 )      4.97 3.07 0.00 !  3
 
assign (resid 269 and name hg2+ )
       (resid 275 and name  hz2 )      4.97 3.07 0.00 !  3           
 
assign (resid 269 and name hg1+ )
       (resid 272 and name  hb+ )      5.50 3.60 0.00 !  2           
 
assign (resid 269 and name hg1+ )
       (resid 272 and name   hn )      4.97 3.07 0.00 !  3           
 
assign (resid 269 and name   hn )
       (resid 312 and name   ha )      4.97 3.07 0.00 !  3     !!3D!!
 
assign (resid 269 and name   hn )
       (resid 269 and name   ha )      4.51 2.61 0.00 !  4     !!3D!!
 
assign (resid 269 and name   hn )
       (resid 269 and name   hb )      3.04 1.14 0.00 !  8     !!3D!!

assign (resid 269 and name   hn )
       (resid 269 and name hg1+ )      5.50 3.60 0.00 !  1
 
assign (resid 269 and name   hn )
       (resid 269 and name hg2+ )      3.04 1.14 0.00 !  8           
 
assign (resid 270 and name   ha )
       (resid 271 and name   hn )      2.75 0.85 0.00 !  9           
 
assign (resid 270 and name  hb+ )
       (resid 271 and name   hn )      3.70 1.80 0.00 !  6           
 
assign (resid 270 and name  hb+ )
       (resid 270 and name   ha )      2.75 0.85 0.00 !  9           
 
assign (resid 270 and name   hn )
       (resid 270 and name  hb+ )      4.08 2.18 0.00 !  5     !!3D!!
 
assign (resid 271 and name  ha1 )
       (resid 272 and name   hn )      3.70 1.80 0.00 !  6     !!3D!!
 
assign (resid 271 and name   hn )
       (resid 271 and name  ha1 )      4.08 2.18 0.00 !  5     !!3D!!
 
assign (resid 271 and name   hn )
       (resid 272 and name   hn )      4.08 2.18 0.00 !  5     !!3D!!
 
assign (resid 272 and name   ha )
       (resid 274 and name   hn )      5.50 3.60 0.00 !  1           
 
assign (resid 272 and name   ha )
       (resid 273 and name   hn )      2.50 0.60 0.00 ! 10     !!3D!!
 
assign (resid 272 and name  hb+ )
       (resid 272 and name   ha )      3.70 1.80 0.00 !  6           
 
assign (resid 272 and name  hb+ )
       (resid 275 and name  hd1 )      4.08 2.18 0.00 !  5           
 
assign (resid 272 and name   hn )
       (resid 272 and name   ha )      3.70 1.80 0.00 !  6     !!3D!!
 
assign (resid 272 and name   hn )
       (resid 272 and name  hb+ )      3.35 1.45 0.00 !  7           
 
assign (resid 272 and name   hn )
       (resid 275 and name  he1 )      5.50 3.60 0.00 !  1     !!3D!!
 
assign (resid 273 and name   ha )
       (resid 274 and name   hn )      4.97 3.07 0.00 !  3           
 
assign (resid 273 and name  hb+ )
       (resid 275 and name  hd1 )      4.97 3.07 0.00 !  3           
 
assign (resid 273 and name  hb+ )
       (resid 273 and name   ha )      3.04 1.14 0.00 !  8           
 
assign (resid 273 and name   hn )
       (resid 274 and name   hn )      3.04 1.14 0.00 !  8     !!3D!!
 
assign (resid 274 and name   ha )
       (resid 306 and name  hg1 )      5.50 3.60 0.00 !  2           
 
assign (resid 274 and name   ha )
       (resid 275 and name   hn )      2.50 0.60 0.00 ! 10     !!3D!!
 
assign (resid 274 and name  hb+ )
       (resid 275 and name   hn )      3.70 1.80 0.00 !  6     !!3D!!
 
assign (resid 274 and name   hn )
       (resid 274 and name   ha )      4.97 3.07 0.00 !  3           
 
assign (resid 274 and name   hn )
       (resid 274 and name  hb+ )      3.04 1.14 0.00 !  8           
 
assign (resid 274 and name   hn )
       (resid 275 and name  hd1 )      5.50 3.60 0.00 !  1     !!3D!!
 
assign (resid 274 and name   hn )
       (resid 275 and name   hn )      4.97 3.07 0.00 !  3     !!3D!!
 
assign (resid 275 and name   ha )
       (resid 276 and name   hn )      2.50 0.60 0.00 ! 10           
 
assign (resid 275 and name  hb2 )
       (resid 276 and name   hn )      3.70 1.80 0.00 !  6           
 
assign (resid 275 and name  hb2 )
       (resid 275 and name   ha )      3.04 1.14 0.00 !  8           
 
assign (resid 275 and name  hd1 )
       (resid 275 and name  hb1 )      2.75 0.85 0.00 !  9           
 
assign (resid 275 and name  he1 )
       (resid 311 and name   ha )      2.75 0.85 0.00 !  9           
 
assign (resid 275 and name  he1 )
       (resid 311 and name  hb1 )      4.51 2.61 0.00 !  4     !!3D!!
 
assign (resid 275 and name  he1 )
       (resid 306 and name  hb1 )      4.97 3.07 0.00 !  3     !!3D!!
 
assign (resid 275 and name  he1 )
       (resid 306 and name  hg1 )      4.97 3.07 0.00 !  3     !!3D!!
 
assign (resid 275 and name  he3 )
       (resid 276 and name   ha )      2.75 0.85 0.00 !  9           
 
assign (resid 275 and name  he3 )
       (resid 276 and name   hn )      5.50 3.60 0.00 !  1     !!3D!!
 
assign (resid 275 and name  he3 )
       (resid 277 and name hg++ )      2.50 0.60 0.00 ! 10           
 
assign (resid 275 and name  he3 )
       (resid 277 and name   hn )      3.70 1.80 0.00 !  6           
 
assign (resid 275 and name  he3 )
       (resid 304 and name hg1+ )      4.51 2.61 0.00 !  4           
 
assign (resid 275 and name  he3 )
       (resid 275 and name  hb2 )      3.35 1.45 0.00 !  7           
 
assign (resid 275 and name  hh2 )
       (resid 293 and name  hb+ )      2.75 0.85 0.00 !  9           
 
assign (resid 275 and name  hh2 )
       (resid 304 and name hg1+ )      3.04 1.14 0.00 !  8           
 
assign (resid 275 and name   hn )
       (resid 306 and name  hg1 )      4.08 2.18 0.00 !  5     !!3D!!
 
assign (resid 275 and name   hn )
       (resid 275 and name   ha )      3.70 1.80 0.00 !  6     !!3D!!
 
assign (resid 275 and name   hn )
       (resid 275 and name  hb1 )      4.51 2.61 0.00 !  4           
 
assign (resid 275 and name   hn )
       (resid 275 and name  hd1 )      3.70 1.80 0.00 !  6     !!3D!!
 
assign (resid 275 and name  hz2 )
       (resid 293 and name  hb+ )      5.50 3.60 0.00 !  2           
 
assign (resid 275 and name  hz2 )
       (resid 311 and name   ha )      2.50 0.60 0.00 ! 10           
 
assign (resid 275 and name  hz3 )
       (resid 293 and name  hb+ )      5.50 3.60 0.00 !  2           
 
assign (resid 275 and name  hz3 )
       (resid 305 and name   ha )      4.97 3.07 0.00 !  3           
 
assign (resid 275 and name  hz3 )
       (resid 277 and name   hb )      3.70 1.80 0.00 !  6           
 
assign (resid 275 and name  hz3 )
       (resid 277 and name hg++ )      4.08 2.18 0.00 !  5           
 
assign (resid 275 and name  hz3 )
       (resid 277 and name   hn )      4.97 3.07 0.00 !  3           
 
assign (resid 275 and name  hz3 )
       (resid 304 and name hg1+ )      2.50 0.60 0.00 ! 10           
 
assign (resid 276 and name   ha )
       (resid 277 and name hg++ )      5.50 3.60 0.00 !  2           
 
assign (resid 276 and name   ha )
       (resid 277 and name   hn )      2.50 0.60 0.00 ! 10           
 
assign (resid 276 and name   hb )
       (resid 331 and name   hn )      4.97 3.07 0.00 !  3     !!3D!!
 
assign (resid 276 and name   hb )
       (resid 276 and name   ha )      3.70 1.80 0.00 !  6           
 
assign (resid 276 and name hg2+ )
       (resid 331 and name   hn )      5.50 3.60 0.00 !  1     !!3D!!
 
assign (resid 276 and name hg2+ )
       (resid 277 and name   hn )      3.35 1.45 0.00 !  7           
 
assign (resid 276 and name   hn )
       (resid 331 and name  hb+ )      5.50 3.60 0.00 !  2     !!3D!!
 
assign (resid 276 and name   hn )
       (resid 331 and name   hn )      4.08 2.18 0.00 !  5           
 
assign (resid 276 and name   hn )
       (resid 276 and name   hb )      3.70 1.80 0.00 !  6     !!3D!!
 
assign (resid 276 and name   hn )
       (resid 277 and name hg++ )      5.50 3.60 0.00 !  1     !!3D!!
 
assign (resid 277 and name   ha )
       (resid 278 and name   hn )      2.50 0.60 0.00 ! 10           
 
assign (resid 277 and name   hb )
       (resid 277 and name   ha )      4.97 3.07 0.00 !  3           
 
assign (resid 277 and name   hb )
       (resid 304 and name hg1+ )      4.08 2.18 0.00 !  5

assign (resid 277 and name   hb )
       (resid 304 and name hg2+ )      4.08 2.18 0.00 !  5
 
assign (resid 277 and name   hb )
       (resid 304 and name   hn )      5.50 3.60 0.00 !  2     !!3D!!
 
assign (resid 277 and name hg++ )
       (resid 328 and name   ha )      4.51 2.61 0.00 !  4           
 
assign (resid 277 and name hg++ )
       (resid 330 and name  hb+ )      3.70 1.80 0.00 !  6           
 
assign (resid 277 and name hg++ )
       (resid 278 and name   hn )      3.04 1.14 0.00 !  8           
 
assign (resid 277 and name hg++ )
       (resid 329 and name   hn )      4.08 2.18 0.00 !  5           
 
assign (resid 277 and name hg++ )
       (resid 304 and name   hn )      5.50 3.60 0.00 !  1           
 
assign (resid 277 and name   hn )
       (resid 277 and name   ha )      4.97 3.07 0.00 !  3           
 
assign (resid 277 and name   hn )
       (resid 277 and name   hb )      3.04 1.14 0.00 !  8           
 
assign (resid 277 and name   hn )
       (resid 277 and name hg++ )      3.70 1.80 0.00 !  6           
 
assign (resid 277 and name   hn )
       (resid 304 and name   hb )      4.51 2.61 0.00 !  4           
 
assign (resid 277 and name   hn )
       (resid 304 and name   hn )      5.50 3.60 0.00 !  2           
 
assign (resid 278 and name   ha )
       (resid 279 and name   hn )      2.50 0.60 0.00 ! 10           
 
assign (resid 278 and name   ha )
       (resid 278 and name  hb+ )      2.75 0.85 0.00 !  9           
 
assign (resid 278 and name   ha )
       (resid 303 and name   ha )      3.04 1.14 0.00 !  8           
 
assign (resid 278 and name   ha )
       (resid 304 and name   hn )      5.50 3.60 0.00 !  2           
 
assign (resid 278 and name  hb+ )
       (resid 279 and name   hn )      4.51 2.61 0.00 !  4           
 
assign (resid 278 and name  hb+ )
       (resid 329 and name   hn )      5.50 3.60 0.00 !  1     !!3D!!
 
assign (resid 278 and name hd2+ )
       (resid 278 and name  hb+ )      3.70 1.80 0.00 !  6     !!3D!!
 
assign (resid 278 and name   hn )
       (resid 278 and name   ha )      4.08 2.18 0.00 !  5           
 
assign (resid 278 and name   hn )
       (resid 278 and name  hb+ )      3.35 1.45 0.00 !  7           
 
assign (resid 278 and name   hn )
       (resid 329 and name   hn )      4.51 2.61 0.00 !  4           
 
assign (resid 279 and name   ha )
       (resid 280 and name   hn )      2.50 0.60 0.00 ! 10           
 
assign (resid 279 and name   ha )
       (resid 328 and name   ha )      3.04 1.14 0.00 !  8           
 
assign (resid 279 and name   ha )
       (resid 329 and name   hn )      5.50 3.60 0.00 !  2           
 
assign (resid 279 and name  hb1 )
       (resid 280 and name   hn )      4.08 2.18 0.00 !  5     !!3D!!
 
assign (resid 279 and name  hb1 )
       (resid 279 and name   ha )      3.35 1.45 0.00 !  7           
 
assign (resid 279 and name hd2+ )
       (resid 280 and name   hn )      4.97 3.07 0.00 !  3     !!3D!!
 
assign (resid 279 and name hd2+ )
       (resid 328 and name   ha )      4.08 2.18 0.00 !  5           

assign (resid 279 and name hd1+ )
       (resid 328 and name   ha )      5.50 3.60 0.00 !  1
 
assign (resid 279 and name hd2+ )
       (resid 328 and name  hb+ )      2.75 0.85 0.00 !  9           

assign (resid 279 and name hd1+ )
       (resid 328 and name  hb+ )      4.51 2.61 0.00 !  4
 
assign (resid 279 and name hd2+ )
       (resid 279 and name   ha )      2.75 0.85 0.00 !  9

assign (resid 279 and name hd1+ )
       (resid 279 and name   ha )      4.08 2.18 0.00 !  5
 
assign (resid 279 and name hd1+ )
       (resid 279 and name  hb1 )      3.35 1.45 0.00 !  7

assign (resid 279 and name hd2+ )
       (resid 279 and name  hb1 )      3.70 1.80 0.00 !  6
 
assign (resid 279 and name   hn )
       (resid 279 and name  hb1 )      4.51 2.61 0.00 !  4     !!3D!!
 
assign (resid 279 and name   hn )
       (resid 302 and name   hn )      3.70 1.80 0.00 !  6           
 
assign (resid 280 and name   ha )
       (resid 281 and name   hn )      2.50 0.60 0.00 ! 10     !!3D!!
 
assign (resid 280 and name   ha )
       (resid 301 and name   ha )      3.04 1.14 0.00 !  8           
 
assign (resid 280 and name   ha )
       (resid 301 and name hg2+ )      3.35 1.45 0.00 !  7           
 
assign (resid 280 and name  hb+ )
       (resid 327 and name   hn )      3.35 1.45 0.00 !  7           
 
assign (resid 280 and name  hb+ )
       (resid 281 and name   hn )      3.70 1.80 0.00 !  6           
 
assign (resid 280 and name   hn )
       (resid 280 and name   ha )      4.97 3.07 0.00 !  3     !!3D!!
 
assign (resid 280 and name   hn )
       (resid 280 and name  hb+ )      2.50 0.60 0.00 ! 10           
 
assign (resid 280 and name   hn )
       (resid 327 and name  hb+ )      5.50 3.60 0.00 !  2           
 
assign (resid 280 and name   hn )
       (resid 327 and name   hn )      4.97 3.07 0.00 !  3     !!3D!!
 
assign (resid 280 and name   hn )
       (resid 328 and name   ha )      5.50 3.60 0.00 !  2           
 
assign (resid 280 and name   hn )
       (resid 326 and name  hb+ )      5.50 3.60 0.00 !  1     !!3D!!
 
assign (resid 280 and name   hn )
       (resid 301 and name hg2+ )      5.50 3.60 0.00 !  1     !!3D!!
 
assign (resid 281 and name   ha )
       (resid 282 and name   hn )      2.50 0.60 0.00 ! 10           
 
assign (resid 281 and name hd++ )
       (resid 282 and name   hn )      5.50 3.60 0.00 !  2           
 
assign (resid 281 and name hd++ )
       (resid 287 and name   hn )      5.50 3.60 0.00 !  1     !!3D!!
 
assign (resid 281 and name hd++ )
       (resid 282 and name  hb+ )      4.51 2.61 0.00 !  4           
 
assign (resid 281 and name hd++ )
       (resid 325 and name   hb )      4.97 3.07 0.00 !  3           

!NEXT CONSTRAINT REMOVED AS L281 gamma IS AMBIGUOUS! 
!assign (resid 281 and name   hg )
!       (resid 282 and name   hn )      3.35 1.45 0.00 !  7           

!NEXT CONSTRAINT REMOVED AS L281 gamma IS AMBIGUOUS! 
!assign (resid 281 and name   hg )
!       (resid 285 and name   hn )      5.50 3.60 0.00 !  2           
 
assign (resid 281 and name   hn )
       (resid 281 and name   ha )      3.70 1.80 0.00 !  6     !!3D!!
 
assign (resid 281 and name   hn )
       (resid 281 and name hd++ )      3.70 1.80 0.00 !  6     !!3D!!
 
assign (resid 281 and name   hn )
       (resid 301 and name   ha )      4.08 2.18 0.00 !  5     !!3D!!
 
assign (resid 282 and name   ha )
       (resid 283 and name   hn )      2.50 0.60 0.00 ! 10           
 
assign (resid 282 and name  hb+ )
       (resid 282 and name   ha )      4.08 2.18 0.00 !  5           
 
assign (resid 282 and name  hb+ )
       (resid 283 and name   hn )      4.08 2.18 0.00 !  5     !!3D!!
 
assign (resid 282 and name hd2+ )
       (resid 327 and name   hn )      4.97 3.07 0.00 !  3     !!3D!!
 
assign (resid 282 and name hd2+ )
       (resid 282 and name  hb+ )      2.50 0.60 0.00 ! 10           
 
assign (resid 282 and name hd2+ )
       (resid 324 and name   hb )      3.35 1.45 0.00 !  7           
 
assign (resid 282 and name hd2+ )
       (resid 324 and name hg2+ )      3.04 1.14 0.00 !  8           
 
assign (resid 282 and name hd2+ )
       (resid 285 and name he2+ )      5.50 3.60 0.00 !  1

! Next constraint made ambig 03jul98 
!assign (resid 282 and name hd2+ )
       !(resid 324 and name   ha )      5.50 3.60 0.00 !  1           
 
assign (resid 282 and name   hn )
       (resid 282 and name   ha )      4.97 3.07 0.00 !  3           
 
assign (resid 282 and name   hn )
       (resid 282 and name  hb+ )      3.35 1.45 0.00 !  7           
 
assign (resid 282 and name   hn )
       (resid 282 and name hd2+ )      4.08 2.18 0.00 !  5     !!3D!!
 
assign (resid 283 and name  ha+ )
       (resid 284 and name   hn )      2.75 0.85 0.00 !  9           
 
assign (resid 283 and name   hn )
       (resid 283 and name  ha+ )      2.50 0.60 0.00 ! 10     !!3D!!
 
assign (resid 283 and name   hn )
       (resid 284 and name   hn )      5.50 3.60 0.00 !  1           
 
assign (resid 284 and name   hn )
       (resid 285 and name   hn )      3.70 1.80 0.00 !  6           
 
assign (resid 284 and name   hn )
       (resid 284 and name   ha )      4.51 2.61 0.00 !  4           
 
assign (resid 284 and name   hn )
       (resid 284 and name  hb+ )      3.35 1.45 0.00 !  7           
 
assign (resid 285 and name   ha )
       (resid 320 and name hd2+ )      3.70 1.80 0.00 !  6           
 
assign (resid 285 and name   ha )
       (resid 286 and name   hn )      2.50 0.60 0.00 ! 10     !!3D!!

! Next con made ambig 05jul98... 
!assign (resid 285 and name   ha )
       !(resid 317 and name   hb )      5.50 3.60 0.00 !  1           

!V317...Next con made ambig 06jul98...
!assign (resid 285 and name   ha )
       !(resid 317 and name hg2+ )      4.08 2.18 0.00 !  5
! 
!assign (resid 285 and name   ha )
       !(resid 317 and name hg++ )      3.04 1.14 0.00 !  8           
 
assign (resid 285 and name  hb1 )
       (resid 286 and name   hn )      3.35 1.45 0.00 !  7     !!3D!!
 
assign (resid 285 and name he2+ )
       (resid 319 and name   ha )      4.97 3.07 0.00 !  3     !!3D!!
 
assign (resid 285 and name he2+ )
       (resid 285 and name  hg+ )      3.04 1.14 0.00 !  8           
!
!REMOVED TEMPORARILY AS AMBIGUOUS ! 
!assign (resid 285 and name he2+ )
       !(resid 322 and name  hb+ )      3.70 1.80 0.00 !  6     !!3D!!
 
assign (resid 285 and name he2+ )
       (resid 324 and name   hn )      5.50 3.60 0.00 !  1     !!3D!!
!V317 
!assign (resid 285 and name he2+ )
       !(resid 317 and name hg++ )      4.08 2.18 0.00 !  5           
 
assign (resid 285 and name he2+ )
       (resid 324 and name   hn )      5.50 3.60 0.00 !  2     !!3D!!
 
assign (resid 285 and name  hg+ )
       (resid 285 and name   ha )      4.51 2.61 0.00 !  4           
!V317 
!assign (resid 285 and name  hg+ )
       !(resid 317 and name hg++ )      3.35 1.45 0.00 !  7           
 
assign (resid 285 and name   hn )
       (resid 285 and name   ha )      3.35 1.45 0.00 !  7           
 
assign (resid 285 and name   hn )
       (resid 285 and name  hb2 )      2.75 0.85 0.00 !  9     !!3D!!
 
assign (resid 285 and name   hn )
       (resid 285 and name  hg+ )      2.75 0.85 0.00 !  9           
 
assign (resid 286 and name   ha )
       (resid 287 and name   hn )      2.75 0.85 0.00 !  9           
 
assign (resid 286 and name   hb )
       (resid 287 and name   hn )      3.04 1.14 0.00 !  8           
 
assign (resid 286 and name   hb )
       (resid 286 and name   ha )      3.04 1.14 0.00 !  8           
 
assign (resid 286 and name hg2+ )
       (resid 287 and name   hn )      4.51 2.61 0.00 !  4           
 
assign (resid 286 and name hg2+ )
       (resid 320 and name hd2+ )      2.50 0.60 0.00 ! 10     !!3D!!
 
assign (resid 286 and name hg2+ )
       (resid 286 and name   ha )      2.50 0.60 0.00 ! 10           
 
!NEXT CONSTRAINT ALTERED 18mar98 AS M318 beta IS AMBIGUOUS!!!
assign (resid 286 and name   hn )
       (resid 318 and name  hb1 )      4.97 3.07 0.00 !  3     !!3D!!
 
assign (resid 286 and name   hn )
       (resid 318 and name   hn )      4.08 2.18 0.00 !  5     !!3D!!
 
assign (resid 286 and name   hn )
       (resid 320 and name hd2+ )      4.08 2.18 0.00 !  5     !!3D!!
 
assign (resid 286 and name   hn )
       (resid 286 and name   hb )      5.50 3.60 0.00 !  1     !!3D!!
 
assign (resid 286 and name   hn )
       (resid 286 and name hg2+ )      4.08 2.18 0.00 !  5           
!V317 
!assign (resid 286 and name   hn )
       !(resid 317 and name hg++ )      4.08 2.18 0.00 !  5     !!3D!!
 
assign (resid 287 and name   ha )
       (resid 288 and name   hn )      2.75 0.85 0.00 !  9           
!V317
assign (resid 287 and name   ha )
       (resid 317 and name hg2+ )      4.97 3.07 0.00 !  3       
!
!assign (resid 287 and name   ha )
       !(resid 317 and name hg++ )      4.08 2.18 0.00 !  5           
 
assign (resid 287 and name hd1+ )
       (resid 287 and name   ha )      3.70 1.80 0.00 !  6           
 
assign (resid 287 and name hd1+ )
       (resid 287 and name hg2+ )      2.50 0.60 0.00 ! 10           
 
assign (resid 287 and name hd1+ )
       (resid 288 and name   hn )      5.50 3.60 0.00 !  2           
 
assign (resid 287 and name hd1+ )
       (resid 317 and name   ha )      4.51 2.61 0.00 !  4           
 
assign (resid 287 and name hg2+ )
       (resid 289 and name   hn )      2.50 0.60 0.00 ! 10           
 
assign (resid 287 and name hg2+ )
       (resid 287 and name   ha )      3.35 1.45 0.00 !  7           
 
assign (resid 287 and name hg2+ )
       (resid 288 and name   hn )      3.35 1.45 0.00 !  7           
 
assign (resid 287 and name hg2+ )
       (resid 317 and name   ha )      5.50 3.60 0.00 !  2           
 
assign (resid 287 and name   hn )
       (resid 287 and name   hb )      2.75 0.85 0.00 !  9           
 
assign (resid 287 and name   hn )
       (resid 287 and name hd1+ )      5.50 3.60 0.00 !  2           
 
assign (resid 287 and name   hn )
       (resid 287 and name hg1+ )      4.08 2.18 0.00 !  5           
 
assign (resid 287 and name   hn )
       (resid 287 and name hg2+ )      5.50 3.60 0.00 !  1     !!3D!!
 
assign (resid 288 and name   ha )
       (resid 289 and name   hn )      4.51 2.61 0.00 !  4           
 
assign (resid 288 and name  hb+ )
       (resid 289 and name   hn )      4.08 2.18 0.00 !  5     !!3D!!
 
assign (resid 288 and name he2+ )
       (resid 288 and name  hg+ )      3.35 1.45 0.00 !  7     !!3D!!
 
assign (resid 288 and name   hn )
       (resid 289 and name   hn )      2.75 0.85 0.00 !  9           
 
assign (resid 288 and name   hn )
       (resid 288 and name   ha )      4.51 2.61 0.00 !  4           
 
assign (resid 288 and name   hn )
       (resid 288 and name  hb+ )      3.04 1.14 0.00 !  8     !!3D!!
 
assign (resid 288 and name   hn )
       (resid 316 and name   hb )      5.50 3.60 0.00 !  2     !!3D!!
 
assign (resid 288 and name   hn )
       (resid 316 and name hg2+ )      5.50 3.60 0.00 !  2     !!3D!!
 
assign (resid 288 and name   hn )
       (resid 317 and name   ha )      4.97 3.07 0.00 !  3           
 
assign (resid 289 and name  hb+ )
       (resid 290 and name   hn )      2.75 0.85 0.00 !  9           
 
assign (resid 289 and name  hb+ )
       (resid 316 and name   hn )      5.50 3.60 0.00 !  2           
 
assign (resid 289 and name  hb+ )
       (resid 291 and name  hz3 )      2.75 0.85 0.00 !  9           
 
assign (resid 289 and name   hn )
       (resid 289 and name   ha )      4.08 2.18 0.00 !  5           
 
assign (resid 289 and name   hn )
       (resid 289 and name  hb+ )      3.35 1.45 0.00 !  7           
 
assign (resid 289 and name   hn )
       (resid 316 and name   ha )      5.50 3.60 0.00 !  1           
 
assign (resid 289 and name   hn )
       (resid 316 and name   hb )      3.04 1.14 0.00 !  8           
 
assign (resid 289 and name   hn )
       (resid 316 and name hg2+ )      5.50 3.60 0.00 !  2     !!3D!!
 
assign (resid 289 and name   hn )
       (resid 316 and name   hn )      4.51 2.61 0.00 !  4           
 
assign (resid 290 and name   ha )
       (resid 290 and name  hb+ )      2.75 0.85 0.00 !  9           
 
assign (resid 290 and name   ha )
       (resid 316 and name   hn )      4.97 3.07 0.00 !  3     !!3D!!
 
assign (resid 290 and name   ha )
       (resid 315 and name   ha )      3.04 1.14 0.00 !  8           
 
assign (resid 290 and name   ha )
       (resid 315 and name hg++ )      3.35 1.45 0.00 !  7           
 
assign (resid 290 and name   ha )
       (resid 291 and name   hn )      2.50 0.60 0.00 ! 10           
 
assign (resid 290 and name   ha )
       (resid 291 and name  hz3 )      5.50 3.60 0.00 !  2           
 
assign (resid 290 and name  hb+ )
       (resid 314 and name   hn )      5.50 3.60 0.00 !  1     !!3D!!
 
assign (resid 290 and name  hb+ )
       (resid 295 and name hg2+ )      2.75 0.85 0.00 !  9           

assign (resid 290 and name  hb+ )
       (resid 295 and name hg1+ )      5.50 3.60 0.00 !  2
 
assign (resid 290 and name  hb+ )
       (resid 291 and name   hn )      3.35 1.45 0.00 !  7           
 
assign (resid 290 and name   hn )
       (resid 290 and name   ha )      4.08 2.18 0.00 !  5     !!3D!!
 
assign (resid 290 and name   hn )
       (resid 290 and name  hb+ )      4.51 2.61 0.00 !  4     !!3D!!
 
assign (resid 290 and name   hn )
       (resid 291 and name  he3 )      4.97 3.07 0.00 !  3           
 
assign (resid 291 and name   ha )
       (resid 293 and name   hn )      4.51 2.61 0.00 !  4           
 
assign (resid 291 and name   ha )
       (resid 292 and name   hn )      2.50 0.60 0.00 ! 10           
 
assign (resid 291 and name  hb2 )
       (resid 292 and name   hn )      3.70 1.80 0.00 !  6           
 
assign (resid 291 and name  hb2 )
       (resid 291 and name   ha )      3.04 1.14 0.00 !  8           
 
assign (resid 291 and name  hb1 )
       (resid 314 and name   hn )      4.97 3.07 0.00 !  3     !!3D!!
 
assign (resid 291 and name  he1 )
       (resid 314 and name  ha1 )      3.70 1.80 0.00 !  6           
 
assign (resid 291 and name  he1 )
       (resid 314 and name   hn )      5.50 3.60 0.00 !  2           
 
assign (resid 291 and name  hh2 )
       (resid 316 and name   ha )      5.50 3.60 0.00 !  1           
 
assign (resid 291 and name  hh2 )
       (resid 316 and name  hg1 )      4.97 3.07 0.00 !  3           
 
assign (resid 291 and name   hn )
       (resid 314 and name   hn )      4.08 2.18 0.00 !  5           
 
assign (resid 291 and name   hn )
       (resid 295 and name hg2+ )      5.50 3.60 0.00 !  1     !!3D!!
 
assign (resid 291 and name   hn )
       (resid 315 and name   ha )      5.50 3.60 0.00 !  1     !!3D!!
 
assign (resid 291 and name   hn )
       (resid 315 and name hg++ )      5.50 3.60 0.00 !  2           
 
assign (resid 291 and name   hn )
       (resid 291 and name  hb1 )      5.50 3.60 0.00 !  2     !!3D!!

! Next con made ambig 03jul98... 
!assign (resid 291 and name   hn )
       !(resid 291 and name  he3 )      4.08 2.18 0.00 !  5           
 
assign (resid 291 and name  hz2 )
       (resid 314 and name  ha1 )      3.70 1.80 0.00 !  6           
 
assign (resid 291 and name  hz3 )
       (resid 316 and name  hg1 )      5.50 3.60 0.00 !  2           
 
assign (resid 291 and name  hz3 )
       (resid 316 and name   hn )      5.50 3.60 0.00 !  2     !!3D!!
 
assign (resid 292 and name   ha )
       (resid 293 and name   hn )      3.70 1.80 0.00 !  6     !!3D!!
 
assign (resid 292 and name hd2+ )
       (resid 313 and name   ha )      4.97 3.07 0.00 !  3     !!3D!!
 
assign (resid 292 and name hd2+ )
       (resid 292 and name  hb+ )      3.04 1.14 0.00 !  8           
 
assign (resid 292 and name   hn )
       (resid 293 and name   hn )      3.35 1.45 0.00 !  7           
 
assign (resid 292 and name   hn )
       (resid 292 and name   ha )      2.50 0.60 0.00 ! 10     !!3D!!
 
assign (resid 292 and name   hn )
       (resid 292 and name  hb+ )      5.50 3.60 0.00 !  2     !!3D!!
 
assign (resid 293 and name   ha )
       (resid 294 and name   hn )      2.75 0.85 0.00 !  9     !!3D!!
 
assign (resid 293 and name   ha )
       (resid 307 and name   hn )      4.08 2.18 0.00 !  5           
 
assign (resid 293 and name  hb+ )
       (resid 313 and name   ha )      5.50 3.60 0.00 !  2           
 
assign (resid 293 and name  hb+ )
       (resid 313 and name  hb1 )      2.75 0.85 0.00 !  9           
 
assign (resid 293 and name  hb+ )
       (resid 313 and name  hd+ )      4.51 2.61 0.00 !  4           
 
assign (resid 293 and name  hb+ )
       (resid 314 and name   hn )      4.97 3.07 0.00 !  3     !!3D!!
 
assign (resid 293 and name  hb+ )
       (resid 294 and name   hn )      2.75 0.85 0.00 !  9           
 
assign (resid 293 and name  hb+ )
       (resid 307 and name   hn )      5.50 3.60 0.00 !  2           
 
assign (resid 293 and name  hb+ )
       (resid 306 and name   ha )      4.08 2.18 0.00 !  5           
 
assign (resid 293 and name  hb+ )
       (resid 304 and name hg1+ )      2.50 0.60 0.00 ! 10           
 
assign (resid 293 and name   hn )
       (resid 293 and name   ha )      3.04 1.14 0.00 !  8     !!3D!!
 
assign (resid 293 and name   hn )
       (resid 293 and name  hb+ )      3.35 1.45 0.00 !  7           
 
assign (resid 293 and name   hn )
       (resid 313 and name  hd+ )      4.97 3.07 0.00 !  3     !!3D!!
 
assign (resid 294 and name   ha )
       (resid 295 and name hg2+ )      4.97 3.07 0.00 !  3           
 
assign (resid 294 and name   ha )
       (resid 295 and name   hn )      2.50 0.60 0.00 ! 10           
 
assign (resid 294 and name  hb2 )
       (resid 305 and name   hn )      4.51 2.61 0.00 !  4     !!3D!!
 
assign (resid 294 and name  hb1 )
       (resid 295 and name   hn )      5.50 3.60 0.00 !  2     !!3D!!
 
assign (resid 294 and name  hb2 )
       (resid 294 and name   ha )      3.35 1.45 0.00 !  7           
 
assign (resid 294 and name hd2+ )
       (resid 294 and name  hb2 )      3.04 1.14 0.00 !  8           
 
assign (resid 294 and name hd2+ )
       (resid 307 and name   ha )      4.08 2.18 0.00 !  5           
 
assign (resid 294 and name hd2+ )
       (resid 307 and name  hb1 )      5.50 3.60 0.00 !  2     !!3D!!
 
assign (resid 294 and name   hn )
       (resid 294 and name   ha )      5.50 3.60 0.00 !  2     !!3D!!
 
assign (resid 294 and name   hn )
       (resid 294 and name  hb2 )      3.70 1.80 0.00 !  6    
 
assign (resid 294 and name   hn )
       (resid 305 and name   hn )      4.08 2.18 0.00 !  5     !!3D!!
 
assign (resid 294 and name   hn )
       (resid 304 and name hg1+ )      5.50 3.60 0.00 !  2           
 
assign (resid 295 and name   ha )
       (resid 296 and name   hn )      2.50 0.60 0.00 ! 10           
 
assign (resid 295 and name   ha )
       (resid 304 and name   ha )      3.70 1.80 0.00 !  6           
 
assign (resid 295 and name   ha )
       (resid 304 and name hg1+ )      4.97 3.07 0.00 !  3

assign (resid 295 and name   ha )
       (resid 304 and name hg2+ )      3.70 1.80 0.00 !  6
 
assign (resid 295 and name   hb )
       (resid 302 and name   he )      5.50 3.60 0.00 !  1     !!3D!!
 
assign (resid 295 and name hg1+ )
       (resid 295 and name   ha )      2.75 0.85 0.00 !  9

assign (resid 295 and name hg2+ )
       (resid 295 and name   ha )      3.04 1.14 0.00 !  8
 
assign (resid 295 and name hg1+ )
       (resid 304 and name hg1+ )      4.97 3.07 0.00 !  3

assign (resid 295 and name hg1+ )
       (resid 304 and name hg2+ )      3.04 1.14 0.00 !  8

assign (resid 295 and name hg2+ )
       (resid 304 and name hg1+ )      2.50 0.60 0.00 ! 10
 
assign (resid 295 and name hg1+ )
       (resid 302 and name  hd+ )      3.70 1.80 0.00 !  6           
 
assign (resid 295 and name hg1+ )
       (resid 302 and name   he )      4.08 2.18 0.00 !  5     !!3D!!
 
assign (resid 295 and name hg1+ )
       (resid 302 and name  hg+ )      4.97 3.07 0.00 !  3           
 
assign (resid 295 and name hg1+ )
       (resid 296 and name   hn )      3.35 1.45 0.00 !  7           
 
assign (resid 295 and name   hn )
       (resid 295 and name   ha )      4.97 3.07 0.00 !  3     !!3D!!
 
assign (resid 295 and name   hn )
       (resid 295 and name   hb )      3.35 1.45 0.00 !  7           
 
assign (resid 295 and name   hn )
       (resid 295 and name hg2+ )      3.70 1.80 0.00 !  6     !!3D!!
 
assign (resid 296 and name   ha )
       (resid 297 and name   hn )      2.75 0.85 0.00 !  9           
 
assign (resid 296 and name   hb )
       (resid 297 and name   hn )      3.04 1.14 0.00 !  8           
 
assign (resid 296 and name   hb )
       (resid 296 and name   ha )      3.04 1.14 0.00 !  8           
 
assign (resid 296 and name hg2+ )
       (resid 297 and name   hn )      4.51 2.61 0.00 !  4           
 
assign (resid 296 and name hg2+ )
       (resid 296 and name   ha )      2.50 0.60 0.00 ! 10           
 
assign (resid 296 and name   hn )
       (resid 296 and name   hb )      4.51 2.61 0.00 !  4     !!3D!!
 
assign (resid 296 and name   hn )
       (resid 304 and name   ha )      5.50 3.60 0.00 !  2     !!3D!!
 
assign (resid 296 and name   hn )
       (resid 304 and name hg2+ )      4.97 3.07 0.00 !  3           
 
assign (resid 297 and name  ha+ )
       (resid 298 and name   hn )      3.70 1.80 0.00 !  6           
 
assign (resid 297 and name   hn )
       (resid 297 and name  ha+ )      2.75 0.85 0.00 !  9     !!3D!!
 
assign (resid 298 and name   ha )
       (resid 299 and name   hn )      2.75 0.85 0.00 !  9     !!3D!!
 
assign (resid 298 and name  hb+ )
       (resid 298 and name   ha )      2.75 0.85 0.00 !  9           
 
assign (resid 298 and name   hn )
       (resid 299 and name   hn )      5.50 3.60 0.00 !  2     !!3D!!
 
assign (resid 298 and name   hn )
       (resid 298 and name   ha )      4.08 2.18 0.00 !  5     !!3D!!
 
assign (resid 299 and name  ha+ )
       (resid 300 and name   hn )      3.04 1.14 0.00 !  8           
 
assign (resid 299 and name   hn )
       (resid 299 and name  ha+ )      2.50 0.60 0.00 ! 10     !!3D!!
 
assign (resid 300 and name   ha )
       (resid 301 and name   hn )      4.97 3.07 0.00 !  3     !!3D!!
 
assign (resid 300 and name  hb+ )
       (resid 300 and name   ha )      3.35 1.45 0.00 !  7           
 
assign (resid 300 and name   hn )
       (resid 300 and name   ha )      5.50 3.60 0.00 !  2     !!3D!!
 
assign (resid 300 and name   hn )
       (resid 301 and name   hn )      3.35 1.45 0.00 !  7     !!3D!!
 
assign (resid 301 and name   ha )
       (resid 302 and name   hn )      2.50 0.60 0.00 ! 10           
 
assign (resid 301 and name   ha )
       (resid 301 and name   hb )      2.75 0.85 0.00 !  9           
 
assign (resid 301 and name   ha )
       (resid 301 and name hg2+ )      2.75 0.85 0.00 !  9           
 
assign (resid 301 and name   hb )
       (resid 302 and name   hn )      3.35 1.45 0.00 !  7           
 
assign (resid 301 and name   hn )
       (resid 301 and name   ha )      4.08 2.18 0.00 !  5           

! Next con made ambig 03jul98... 
!assign (resid 301 and name   hn )
       !(resid 301 and name   hb )      3.35 1.45 0.00 !  7     !!3D!!
 
assign (resid 301 and name   hn )
       (resid 301 and name hg2+ )      4.51 2.61 0.00 !  4           
 
assign (resid 302 and name   ha )
       (resid 303 and name   hn )      2.75 0.85 0.00 !  9           
 
assign (resid 302 and name  hb1 )
       (resid 303 and name   hn )      4.08 2.18 0.00 !  5           
 
assign (resid 302 and name  hd+ )
       (resid 302 and name   ha )      4.51 2.61 0.00 !  4           
 
assign (resid 302 and name  hd+ )
       (resid 303 and name   hn )      5.50 3.60 0.00 !  2           
 
assign (resid 302 and name   he )
       (resid 302 and name  hd+ )      4.08 2.18 0.00 !  5           
 
assign (resid 302 and name   hn )
       (resid 302 and name   ha )      4.97 3.07 0.00 !  3     !!3D!!
 
assign (resid 302 and name   hn )
       (resid 302 and name  hb1 )      5.50 3.60 0.00 !  2     !!3D!!
 
assign (resid 303 and name   ha )
       (resid 304 and name hg2+ )      4.08 2.18 0.00 !  5           
 
assign (resid 303 and name   ha )
       (resid 304 and name   hn )      2.50 0.60 0.00 ! 10           
 
assign (resid 303 and name   hb )
       (resid 303 and name   ha )      3.70 1.80 0.00 !  6           
 
assign (resid 303 and name hg2+ )
       (resid 303 and name   ha )      2.50 0.60 0.00 ! 10           
 
assign (resid 303 and name hg2+ )
       (resid 304 and name   hn )      3.35 1.45 0.00 !  7           
 
assign (resid 303 and name   hn )
       (resid 303 and name   ha )      4.97 3.07 0.00 !  3           
 
assign (resid 303 and name   hn )
       (resid 303 and name   hb )      3.04 1.14 0.00 !  8           
 
assign (resid 303 and name   hn )
       (resid 303 and name hg2+ )      4.97 3.07 0.00 !  3           
 
assign (resid 304 and name   ha )
       (resid 305 and name   hn )      2.50 0.60 0.00 ! 10           
 
assign (resid 304 and name hg1+ )
       (resid 313 and name  hb1 )      5.50 3.60 0.00 !  2           
 
assign (resid 304 and name hg1+ )
       (resid 313 and name  hd+ )      4.97 3.07 0.00 !  3           
 
assign (resid 304 and name hg1+ )
       (resid 305 and name   hn )      3.04 1.14 0.00 !  8
           
assign (resid 304 and name hg2+ )
       (resid 305 and name   hn )      5.50 3.60 0.00 !  2
 
assign (resid 304 and name hg1+ )
       (resid 304 and name   ha )      2.50 0.60 0.00 ! 10

assign (resid 304 and name hg2+ )
       (resid 304 and name   ha )      2.75 0.85 0.00 !  9           
 
assign (resid 304 and name   hn )
       (resid 304 and name   ha )      4.97 3.07 0.00 !  3           
 
assign (resid 304 and name   hn )
       (resid 304 and name   hb )      3.70 1.80 0.00 !  6           
 
assign (resid 304 and name   hn )
       (resid 304 and name hg1+ )      5.50 3.60 0.00 !  1           

assign (resid 304 and name   hn )
       (resid 304 and name hg2+ )      3.35 1.45 0.00 !  7
 
assign (resid 306 and name   ha )
       (resid 308 and name   hn )      5.50 3.60 0.00 !  1     !!3D!!
 
assign (resid 306 and name   ha )
       (resid 307 and name   hn )      2.75 0.85 0.00 !  9           
 
assign (resid 306 and name  hb2 )
       (resid 308 and name   hn )      4.51 2.61 0.00 !  4     !!3D!!
 
assign (resid 306 and name  hb2 )
       (resid 307 and name   hn )      5.50 3.60 0.00 !  2           
 
assign (resid 306 and name  hg1 )
       (resid 306 and name   ha )      5.50 3.60 0.00 !  1           
 
assign (resid 307 and name   ha )
       (resid 308 and name   hn )      4.08 2.18 0.00 !  5           
 
assign (resid 307 and name  hb2 )
       (resid 307 and name   ha )      2.75 0.85 0.00 !  9           
 
assign (resid 307 and name hd2+ )
       (resid 308 and name  ha1 )      4.97 3.07 0.00 !  3     !!3D!!
 
assign (resid 307 and name hd2+ )
       (resid 307 and name  hb2 )      3.04 1.14 0.00 !  8           
 
assign (resid 307 and name   hn )
       (resid 308 and name   hn )      3.35 1.45 0.00 !  7           
 
assign (resid 307 and name   hn )
       (resid 307 and name   ha )      4.08 2.18 0.00 !  5           
 
assign (resid 307 and name   hn )
       (resid 307 and name  hb1 )      5.50 3.60 0.00 !  2           
 
assign (resid 307 and name   hn )
       (resid 309 and name   hn )      5.50 3.60 0.00 !  2           
 
assign (resid 308 and name  ha2 )
       (resid 309 and name   hn )      4.97 3.07 0.00 !  3     !!3D!!
 
assign (resid 308 and name   hn )
       (resid 308 and name  ha2 )      3.04 1.14 0.00 !  8     !!3D!!
 
assign (resid 308 and name   hn )
       (resid 310 and name   hn )      5.50 3.60 0.00 !  1     !!3D!!
 
assign (resid 308 and name   hn )
       (resid 309 and name   hn )      3.70 1.80 0.00 !  6           
 
assign (resid 309 and name   hn )
       (resid 310 and name   hn )      3.70 1.80 0.00 !  6           
 
assign (resid 309 and name   hn )
       (resid 309 and name   ha )      5.50 3.60 0.00 !  1     !!3D!!
 
assign (resid 309 and name   hn )
       (resid 309 and name  hb+ )      3.35 1.45 0.00 !  7           
 
assign (resid 310 and name  ha+ )
       (resid 311 and name   hn )      5.50 3.60 0.00 !  1     !!3D!!
 
assign (resid 310 and name   hn )
       (resid 310 and name  ha+ )      4.97 3.07 0.00 !  3     !!3D!!
 
assign (resid 311 and name   ha )
       (resid 311 and name  hb2 )      3.70 1.80 0.00 !  6           
 
assign (resid 311 and name   ha )
       (resid 312 and name   hn )      4.51 2.61 0.00 !  4           
 
assign (resid 311 and name hd2+ )
       (resid 311 and name  hb2 )      3.35 1.45 0.00 !  7           
 
assign (resid 311 and name   hn )
       (resid 311 and name   ha )      4.97 3.07 0.00 !  3           
 
assign (resid 311 and name   hn )
       (resid 312 and name   hn )      3.04 1.14 0.00 !  8     !!3D!!
 
assign (resid 312 and name   ha )
       (resid 313 and name   hn )      2.50 0.60 0.00 ! 10           
 
assign (resid 312 and name   ha )
       (resid 312 and name   hb )      4.08 2.18 0.00 !  5           
 
assign (resid 312 and name   ha )
       (resid 312 and name hg2+ )      2.75 0.85 0.00 !  9           
 
assign (resid 312 and name   hb )
       (resid 313 and name   hn )      5.50 3.60 0.00 !  2     !!3D!!
 
assign (resid 312 and name hg2+ )
       (resid 313 and name   hn )      3.35 1.45 0.00 !  7     !!3D!!
 
assign (resid 312 and name   hn )
       (resid 312 and name   ha )      4.97 3.07 0.00 !  3           
 
assign (resid 312 and name   hn )
       (resid 312 and name   hb )      3.35 1.45 0.00 !  7           
 
assign (resid 312 and name   hn )
       (resid 312 and name hg2+ )      4.97 3.07 0.00 !  3           
 
assign (resid 313 and name   ha )
       (resid 314 and name   hn )      2.75 0.85 0.00 !  9           
 
assign (resid 313 and name  hb1 )
       (resid 313 and name   ha )      3.70 1.80 0.00 !  6           
 
assign (resid 313 and name  hb2 )
       (resid 314 and name   hn )      3.04 1.14 0.00 !  8           
 
assign (resid 313 and name  hd+ )
       (resid 314 and name   hn )      5.50 3.60 0.00 !  2           
 
assign (resid 313 and name  hd+ )
       (resid 315 and name hg++ )      3.70 1.80 0.00 !  6           
 
assign (resid 313 and name   hn )
       (resid 313 and name  hd+ )      4.51 2.61 0.00 !  4           
 
assign (resid 314 and name  ha2 )
       (resid 315 and name   hn )      3.04 1.14 0.00 !  8           
 
assign (resid 314 and name   hn )
       (resid 314 and name  ha1 )      4.08 2.18 0.00 !  5           
 
assign (resid 315 and name   ha )
       (resid 316 and name   hn )      3.04 1.14 0.00 !  8     !!3D!!
 
assign (resid 315 and name   hb )
       (resid 316 and name   hn )      3.04 1.14 0.00 !  8     !!3D!!

! Next con made ambig... 
!assign (resid 315 and name hg++ )
       !(resid 316 and name   hn )      3.04 1.14 0.00 !  8     !!3D!!
 
assign (resid 315 and name hg++ )
       (resid 315 and name   ha )      2.75 0.85 0.00 !  9     !303K!
!V317 - but does not change (see ass folder) 
assign (resid 315 and name hg++ )
       (resid 317 and name hg2+ )      2.50 0.60 0.00 ! 10           
 
assign (resid 315 and name hg++ )
       (resid 317 and name   hn )      5.50 3.60 0.00 !  2     !!3D!!
 
assign (resid 315 and name   hn )
       (resid 315 and name   ha )      4.97 3.07 0.00 !  3     !!3D!!
 
assign (resid 315 and name   hn )
       (resid 315 and name   hb )      5.50 3.60 0.00 !  1     !!3D!!
 
assign (resid 315 and name   hn )
       (resid 315 and name hg++ )      2.75 0.85 0.00 !  9           
 
assign (resid 316 and name   ha )
       (resid 316 and name hg2+ )      3.04 1.14 0.00 !  8           
!V317
assign (resid 316 and name   ha )
       (resid 317 and name hg2+ )       5.50 3.60 0.00 !  2
!
!assign (resid 316 and name   ha )
       !(resid 317 and name hg++ )      4.51 2.61 0.00 !  4           
 
assign (resid 316 and name   ha )
       (resid 317 and name   hn )      2.50 0.60 0.00 ! 10           
 
assign (resid 316 and name  hg1 )
       (resid 316 and name   ha )      4.08 2.18 0.00 !  5           
 
assign (resid 316 and name  hg1 )
       (resid 316 and name   hb )      4.51 2.61 0.00 !  4           
 
assign (resid 316 and name  hg1 )
       (resid 316 and name hg2+ )      3.35 1.45 0.00 !  7           
 
assign (resid 316 and name hg2+ )
       (resid 317 and name   hn )      3.70 1.80 0.00 !  6           
 
assign (resid 316 and name   hn )
       (resid 316 and name   ha )      5.50 3.60 0.00 !  2           
 
assign (resid 316 and name   hn )
       (resid 316 and name   hb )      3.04 1.14 0.00 !  8     !!3D!!
 
assign (resid 316 and name   hn )
       (resid 316 and name hg2+ )      4.97 3.07 0.00 !  3     !!3D!!
 
assign (resid 317 and name   ha )
       (resid 318 and name   hn )      2.50 0.60 0.00 ! 10           
!V317
assign (resid 317 and name hg2+ )
       (resid 318 and name   hn )      4.97 3.07 0.00 !  3
! 
!assign (resid 317 and name hg++ )
       !(resid 318 and name   hn )      3.04 1.14 0.00 !  8     !!3D!!
!V317
assign (resid 317 and name hg2+ )
       (resid 317 and name   ha )      2.75 0.85 0.00 !  9
!
!assign (resid 317 and name hg++ )
       !(resid 317 and name   ha )      2.50 0.60 0.00 ! 12           
!V317 
!assign (resid 317 and name hg++ )
       !(resid 319 and name   hn )      5.50 3.60 0.00 !  2           
 
assign (resid 317 and name   hn )
       (resid 317 and name   ha )      4.97 3.07 0.00 !  3           
!V317
assign (resid 317 and name   hn )
       (resid 317 and name hg2+ )      3.04 1.14 0.00 !  8
! 
!assign (resid 317 and name   hn )
       !(resid 317 and name hg++ )      2.50 0.60 0.00 ! 11           
 
assign (resid 318 and name   ha )
       (resid 319 and name   hn )      2.50 0.60 0.00 ! 10           

! Next con made ambig 03jul98... 
!assign (resid 318 and name  hb2 )
       !(resid 319 and name   hn )      4.97 3.07 0.00 !  3           

!NEXT CONSTRAINT ALTERED AS M318 beta IS AMBIGUOUS! 
assign (resid 318 and name  hb1 )
       (resid 320 and name hd2+ )      5.50 3.60 0.00 !  2           
 
assign (resid 318 and name  hb1 )
       (resid 318 and name   ha )      4.08 2.18 0.00 !  5           
 
assign (resid 318 and name  hb1 )
       (resid 318 and name  hg+ )      2.75 0.85 0.00 !  9           

!NEXT CONSTRAINT ALTERED AS M318 beta IS AMBIGUOUS! 
assign (resid 318 and name   hn )
       (resid 318 and name  hb2 )      3.35 1.45 0.00 !  7           
 
assign (resid 318 and name   hn )
       (resid 318 and name  hg+ )      3.70 1.80 0.00 !  6           
 
assign (resid 319 and name   hn )
       (resid 319 and name   ha )      3.70 1.80 0.00 !  6     !!3D!!
 
assign (resid 319 and name   hn )
       (resid 320 and name   hn )      3.70 1.80 0.00 !  6           
 
assign (resid 320 and name   ha )
       (resid 321 and name   hn )      3.04 1.14 0.00 !  8           
 
assign (resid 320 and name  hb1 )
       (resid 320 and name   ha )      3.35 1.45 0.00 !  7           
 
assign (resid 320 and name hd2+ )
       (resid 320 and name  hb2 )      2.75 0.85 0.00 !  9     !!3D!!
 
assign (resid 320 and name   hn )
       (resid 321 and name   hn )      3.70 1.80 0.00 !  6           
 
assign (resid 320 and name   hn )
       (resid 320 and name  hb1 )      5.50 3.60 0.00 !  2           
 
assign (resid 321 and name  ha1 )
       (resid 322 and name   hn )      5.50 3.60 0.00 !  2     !!3D!!
 
assign (resid 321 and name   hn )
       (resid 321 and name  ha2 )      2.75 0.85 0.00 !  9     !!3D!!
 
assign (resid 322 and name   ha )
       (resid 323 and name   hn )      3.04 1.14 0.00 !  8     !!3D!!
 
assign (resid 322 and name   ha )
       (resid 324 and name   hn )      5.50 3.60 0.00 !  2     !!3D!!
 
assign (resid 322 and name  hb+ )
       (resid 322 and name   ha )      4.51 2.61 0.00 !  4           
 
assign (resid 322 and name   hn )
       (resid 322 and name   ha )      3.70 1.80 0.00 !  6           
 
assign (resid 322 and name   hn )
       (resid 322 and name  hb+ )      4.08 2.18 0.00 !  5           
 
assign (resid 323 and name   hn )
       (resid 324 and name   hn )      4.97 3.07 0.00 !  3           
 
assign (resid 324 and name   ha )
       (resid 325 and name   hn )      2.50 0.60 0.00 ! 10           
!
!REMOVED AS AMBIGUOUS ! 
!assign (resid 324 and name   hb )
!       (resid 324 and name   ha )      3.04 1.14 0.00 !  8           
 
assign (resid 324 and name hg2+ )
       (resid 324 and name   ha )      2.50 0.60 0.00 ! 10           
 
assign (resid 324 and name   hn )
       (resid 324 and name   ha )      3.35 1.45 0.00 !  7           

! Next con made ambig 03jul98... 
!assign (resid 324 and name   hn )
       !(resid 324 and name   hb )      2.50 0.60 0.00 ! 10           
 
assign (resid 324 and name   hn )
       (resid 324 and name hg2+ )      3.35 1.45 0.00 !  7     !!3D!!
 
assign (resid 325 and name   hn )
       (resid 326 and name  hd2 )      5.50 3.60 0.00 !  1     !!3D!!
 
assign (resid 325 and name   hn )
       (resid 325 and name   ha )      4.08 2.18 0.00 !  5     !!3D!!
 
assign (resid 326 and name   ha )
       (resid 327 and name   hn )      2.50 0.60 0.00 ! 10           
 
assign (resid 326 and name  hb+ )
       (resid 327 and name   hn )      3.70 1.80 0.00 !  6     !!3D!!
 
assign (resid 327 and name   ha )
       (resid 328 and name  hb+ )      4.51 2.61 0.00 !  4           
 
assign (resid 327 and name   ha )
       (resid 328 and name   hn )      2.50 0.60 0.00 ! 10           
 
assign (resid 327 and name  hb+ )
       (resid 328 and name   hn )      3.35 1.45 0.00 !  7           
 
assign (resid 327 and name   hn )
       (resid 327 and name   ha )      3.35 1.45 0.00 !  7           
 
assign (resid 327 and name   hn )
       (resid 327 and name  hb+ )      2.50 0.60 0.00 ! 10           
 
assign (resid 327 and name   hn )
       (resid 328 and name   hn )      5.50 3.60 0.00 !  2     !!3D!!
 
assign (resid 328 and name   ha )
       (resid 329 and name   hn )      2.50 0.60 0.00 ! 10           
 
assign (resid 328 and name  hb+ )
       (resid 329 and name   hn )      2.75 0.85 0.00 !  9           
 
assign (resid 328 and name   hn )
       (resid 328 and name   ha )      3.70 1.80 0.00 !  6     !!3D!!
 
assign (resid 328 and name   hn )
       (resid 328 and name  hb+ )      2.75 0.85 0.00 !  9           
 
assign (resid 329 and name   ha )
       (resid 330 and name   hn )      2.50 0.60 0.00 ! 10           
 
assign (resid 329 and name   hb )
       (resid 330 and name   hn )      3.35 1.45 0.00 !  7           
 
assign (resid 329 and name   hb )
       (resid 329 and name   ha )      3.04 1.14 0.00 !  8           
 
assign (resid 329 and name hg2+ )
       (resid 330 and name   hn )      4.08 2.18 0.00 !  5     !!3D!!
 
assign (resid 329 and name hg2+ )
       (resid 329 and name   ha )      2.50 0.60 0.00 ! 10           
 
assign (resid 329 and name   hn )
       (resid 329 and name   ha )      4.08 2.18 0.00 !  5           
 
assign (resid 329 and name   hn )
       (resid 329 and name   hb )      4.97 3.07 0.00 !  3     !!3D!!
 
assign (resid 329 and name   hn )
       (resid 329 and name hg2+ )      5.50 3.60 0.00 !  2           
 
assign (resid 330 and name   ha )
       (resid 331 and name  hb+ )      5.50 3.60 0.00 !  2           
 
assign (resid 330 and name   ha )
       (resid 331 and name   hn )      2.50 0.60 0.00 ! 10           
 
assign (resid 330 and name  hb+ )
       (resid 331 and name   hn )      4.08 2.18 0.00 !  5           
 
assign (resid 330 and name  hb+ )
       (resid 330 and name   ha )      3.04 1.14 0.00 !  8           
 
assign (resid 330 and name  hb+ )
       (resid 331 and name   hn )      4.51 2.61 0.00 !  4     !!3D!!
 
assign (resid 330 and name   hn )
       (resid 330 and name   ha )      4.08 2.18 0.00 !  5           
 
assign (resid 330 and name   hn )
       (resid 330 and name  hb+ )      3.04 1.14 0.00 !  8           
 
assign (resid 331 and name   ha )
       (resid 332 and name   hn )      2.50 0.60 0.00 ! 10           
 
assign (resid 331 and name  hb+ )
       (resid 332 and name   hn )      3.35 1.45 0.00 !  7     !!3D!!
 
assign (resid 331 and name   hn )
       (resid 331 and name  hb+ )      2.75 0.85 0.00 !  9           
 
assign (resid 332 and name  ha+ )
       (resid 333 and name   hn )      3.04 1.14 0.00 !  8           
 
assign (resid 332 and name   hn )
       (resid 332 and name  ha+ )      2.50 0.60 0.00 ! 11     !!3D!!
 
assign (resid 332 and name   hn )
       (resid 333 and name   hn )      5.50 3.60 0.00 !  1     !!3D!!
 
!303K constraints added manually below

assign (resid 250 and name  hb+ )
       (resid 251 and name   hn )      3.35 1.45 0.00 !  7

assign (resid 255 and name   ha )
       (resid 256 and name   hn )      2.50 0.60 0.00 ! 10

assign (resid 260 and name   hn )
       (resid 259 and name  hb1 )      4.08 2.18 0.00 !  5

assign (resid 260 and name   hn )
       (resid 260 and name  hb+ )      2.75 0.85 0.00 !  9

assign (resid 260 and name   hn )
       (resid 261 and name   hn )      4.97 3.07 0.00 !  3

assign (resid 303 and name   hn )
       (resid 296 and name   hn )      4.51 2.61 0.00 !  4

assign (resid 325 and name   hn )
       (resid 324 and name hg2+ )      3.04 1.14 0.00 !  8
!
!
!H-bonds below
!
assign (resid   252  and name HN   )(resid   268  and name O    )   2.3 0.5 0.2
assign (resid   252  and name N    )(resid   268  and name O    )   3.3 0.8 0.2

assign (resid   259  and name HN   )(resid   262  and name O    )   2.3 0.5 0.2
assign (resid   259  and name N    )(resid   262  and name O    )   3.3 0.8 0.2

assign (resid   263  and name HN   )(resid   317  and name O    )   2.3 0.5 0.2
assign (resid   263  and name N    )(resid   317  and name O    )   3.3 0.8 0.2

assign (resid   264  and name HN   )(resid   257  and name O    )   2.3 0.5 0.2
assign (resid   264  and name N    )(resid   257  and name O    )   3.3 0.8 0.2

assign (resid   265  and name HN   )(resid   315  and name O    )   2.3 0.5 0.2
assign (resid   265  and name N    )(resid   315  and name O    )   3.3 0.8 0.2

assign (resid   266  and name HN   )(resid   254  and name O    )   2.3 0.5 0.2
assign (resid   266  and name N    )(resid   254  and name O    )   3.3 0.8 0.2

assign (resid   267  and name HN   )(resid   313  and name O    )   2.3 0.5 0.2
assign (resid   267  and name N    )(resid   313  and name O    )   3.3 0.8 0.2

assign (resid   268  and name HN   )(resid   252  and name O    )   2.3 0.5 0.2
assign (resid   268  and name N    )(resid   252  and name O    )   3.3 0.8 0.2

assign (resid   269  and name HN   )(resid   311  and name O    )   2.3 0.5 0.2
assign (resid   269  and name N    )(resid   311  and name O    )   3.3 0.8 0.2

assign (resid   278  and name HN   )(resid   329  and name O    )   2.3 0.5 0.2
assign (resid   278  and name N    )(resid   329  and name O    )   3.3 0.8 0.2

assign (resid   279  and name HN   )(resid   302  and name O    )   2.3 0.5 0.2
assign (resid   279  and name N    )(resid   302  and name O    )   3.3 0.8 0.2

assign (resid   280  and name HN   )(resid   327  and name O    )   2.3 0.5 0.2
assign (resid   280  and name N    )(resid   327  and name O    )   3.3 0.8 0.2

assign (resid   291  and name HN   )(resid   314  and name O    )   2.3 0.5 0.2
assign (resid   291  and name N    )(resid   314  and name O    )   3.3 0.8 0.2

assign (resid   294  and name HN   )(resid   305  and name O    )   2.3 0.5 0.2
assign (resid   294  and name N    )(resid   305  and name O    )   3.3 0.8 0.2

assign (resid   296  and name HN   )(resid   303  and name O    )   2.3 0.5 0.2
assign (resid   296  and name N    )(resid   303  and name O    )   3.3 0.8 0.2

assign (resid   302  and name HN   )(resid   279  and name O    )   2.3 0.5 0.2
assign (resid   302  and name N    )(resid   279  and name O    )   3.3 0.8 0.2

assign (resid   303  and name HN   )(resid   296  and name O    )   2.3 0.5 0.2
assign (resid   303  and name N    )(resid   296  and name O    )   3.3 0.8 0.2

assign (resid   304  and name HN   )(resid   277  and name O    )   2.3 0.5 0.2
assign (resid   304  and name N    )(resid   277  and name O    )   3.3 0.8 0.2

assign (resid   313  and name HN   )(resid   267  and name O    )   2.3 0.5 0.2
assign (resid   313  and name N    )(resid   267  and name O    )   3.3 0.8 0.2

assign (resid   314  and name HN   )(resid   291  and name O    )   2.3 0.5 0.2
assign (resid   314  and name N    )(resid   291  and name O    )   3.3 0.8 0.2

assign (resid   315  and name HN   )(resid   265  and name O    )   2.3 0.5 0.2
assign (resid   315  and name N    )(resid   265  and name O    )   3.3 0.8 0.2

assign (resid   316  and name HN   )(resid   289  and name O    )   2.3 0.5 0.2
assign (resid   316  and name N    )(resid   289  and name O    )   3.3 0.8 0.2

assign (resid   317  and name HN   )(resid   263  and name O    )   2.3 0.5 0.2
assign (resid   317  and name N    )(resid   263  and name O    )   3.3 0.8 0.2

assign (resid   318  and name HN   )(resid   286  and name O    )   2.3 0.5 0.2
assign (resid   318  and name N    )(resid   286  and name O    )   3.3 0.8 0.2

assign (resid   319  and name HN   )(resid   261  and name O    )   2.3 0.5 0.2
assign (resid   319  and name N    )(resid   261  and name O    )   3.3 0.8 0.2

assign (resid   329  and name HN   )(resid   278  and name O    )   2.3 0.5 0.2
assign (resid   329  and name N    )(resid   278  and name O    )   3.3 0.8 0.2
!
! Constraints found after 05mar98 run added below by appending file xbd_m_c_t_a_3
! onto end of this
!
assign (resid 292 and name   hn )
       (resid 291 and name  hd1 )      4.97 3.07 0.00 !  3           
 
assign (resid 267 and name   hh )
       (resid 326 and name   ha )      5.50 3.60 0.00 !  2           
 
assign (resid 267 and name   hh )
       (resid 326 and name  hg+ )      5.50 3.60 0.00 !  2           
 
assign (resid 267 and name   hh )
       (resid 326 and name  hb+ )      2.50 0.60 0.00 ! 10           
 
assign (resid 258 and name   hn )
       (resid 258 and name   ha )      4.97 3.07 0.00 !  3           
 
assign (resid 275 and name  hz2 )
       (resid 306 and name  hb1 )      3.70 1.80 0.00 !  6           
 
assign (resid 259 and name  hz2 )
       (resid 257 and name  hg+ )      5.50 3.60 0.00 !  1           
 
assign (resid 259 and name  hz2 )
       (resid 257 and name  hb1 )      5.50 3.60 0.00 !  2           
 
assign (resid 267 and name  he+ )
       (resid 267 and name   ha )      4.97 3.07 0.00 !  3           
 
assign (resid 267 and name  he+ )
       (resid 326 and name  hb+ )      4.97 3.07 0.00 !  3           
 
assign (resid 267 and name  he+ )
       (resid 253 and name  hb+ )      2.50 0.60 0.00 ! 10           
 
assign (resid 267 and name  hd+ )
       (resid 267 and name   ha )      3.70 1.80 0.00 !  6           
 
assign (resid 267 and name  hd+ )
       (resid 266 and name   ha )      5.50 3.60 0.00 !  2           
 
assign (resid 313 and name   hz )
       (resid 304 and name hg2+ )      4.08 2.18 0.00 !  5           
 
assign (resid 250 and name   ha )
       (resid 330 and name  hb+ )      5.50 3.60 0.00 !  2           
 
assign (resid 265 and name   ha )
       (resid 255 and name   ha )      4.97 3.07 0.00 !  3           
 
assign (resid 305 and name   ha )
       (resid 306 and name  hd+ )      3.35 1.45 0.00 !  7     !303K!

! Next con made ambig 06jul98... 
!assign (resid 292 and name   ha )
       !(resid 309 and name  hb+ )      3.70 1.80 0.00 !  6           
 
assign (resid 268 and name   ha )
       (resid 312 and name hg2+ )      3.35 1.45 0.00 !  7           

! Next con made ambig 05jul98... 
!assign (resid 279 and name   ha )
       !(resid 328 and name  hb+ )      4.51 2.61 0.00 !  4           

! Next con made ambig 14jul98... 
!assign (resid 286 and name   ha )
       !(resid 281 and name hd++ )      3.70 1.80 0.00 !  6           
 
assign (resid 315 and name   ha )
       (resid 315 and name   hb )      3.35 1.45 0.00 !  7     !303K!
 
assign (resid 326 and name   ha )
       (resid 327 and name  hb+ )      4.97 3.07 0.00 !  3           
 
assign (resid 326 and name   ha )
       (resid 326 and name  hb+ )      3.04 1.14 0.00 !  8           
 
assign (resid 326 and name   ha )
       (resid 326 and name  hg+ )      5.50 3.60 0.00 !  2           
 
assign (resid 255 and name   ha )
       (resid 256 and name  hb+ )      4.97 3.07 0.00 !  3           
 
assign (resid 255 and name   ha )
       (resid 255 and name  hg+ )      4.51 2.61 0.00 !  4           
 
assign (resid 255 and name   ha )
       (resid 255 and name  hb1 )      4.51 2.61 0.00 !  4           
 
assign (resid 325 and name   ha )
       (resid 265 and name hg2+ )      4.97 3.07 0.00 !  3           
 
assign (resid 316 and name   hb )
       (resid 289 and name  hb+ )      3.04 1.14 0.00 !  8           
 
assign (resid 326 and name  hd2 )
       (resid 265 and name hg1+ )      4.97 3.07 0.00 !  3           
 
assign (resid 326 and name  hd2 )
       (resid 317 and name hg2+ )      4.08 2.18 0.00 !  5           
 
assign (resid 326 and name hd2  )
       (resid 265 and name hg2+ )      3.70 1.80 0.00 !  6           
 
assign (resid 326 and name hd2  )
       (resid 326 and name  hb+ )      4.97 3.07 0.00 !  3           
 
assign (resid 257 and name   ha )
       (resid 257 and name  hg+ )      3.35 1.45 0.00 !  7           
 
assign (resid 330 and name  hb+ )
       (resid 249 and name  hb1 )      5.50 3.60 0.00 !  2           
 
assign (resid 284 and name  hb+ )
       (resid 320 and name  hb1 )      4.51 2.61 0.00 !  4           
 
assign (resid 285 and name  hb1 )
       (resid 285 and name  hg+ )      4.51 2.61 0.00 !  4           
 
assign (resid 255 and name  hd+ )
       (resid 265 and name hg1+ )      5.50 3.60 0.00 !  2           
 
assign (resid 255 and name  hd+ )
       (resid 265 and name hg2+ )      4.08 2.18 0.00 !  5           
 
assign (resid 251 and name hg2+ )
       (resid 328 and name  hb+ )      2.50 0.60 0.00 ! 10           
 
assign (resid 262 and name   ha )
       (resid 262 and name  hb1 )      3.35 1.45 0.00 !  7           
 
assign (resid 287 and name hg2+ )
       (resid 287 and name hg1+ )      3.35 1.45 0.00 !  7           
 
assign (resid 265 and name hg2+ )
       (resid 325 and name hg2+ )      2.75 0.85 0.00 !  9           
 
assign (resid 267 and name   hh )
       (resid 326 and name hd2  )      3.04 1.14 0.00 !  8           
 
assign (resid 275 and name  hd1 )
       (resid 273 and name   ha )      2.50 0.60 0.00 ! 10           
 
assign (resid 287 and name   ha )
       (resid 316 and name hg2+ )      5.50 3.60 0.00 !  1           
 
assign (resid 275 and name  he1 )
       (resid 273 and name   ha )      4.08 2.18 0.00 !  5           
 
assign (resid 274 and name   hn )
       (resid 272 and name   ha )      5.50 3.60 0.00 !  1           
 
! More constraints from 18mar98 run resolving ambiguities added
! manually below...

assign (resid 267 and name  he+ )
       (resid 325 and name hg2+ )      3.70 1.80 0.00 !  6

assign (resid 277 and name hg++ )
       (resid 275 and name  hb2 )      4.51 2.61 0.00 !  4

assign (resid 265 and name hg1+ )
       (resid 253 and name  hb+ )      2.50 0.60 0.00 ! 10

assign (resid 254 and name   hn )
       (resid 254 and name   ha )      4.08 2.18 0.00 !  5

assign (resid 272 and name   hn )
       (resid 249 and name  hb1 )      5.50 3.60 0.00 !  2

! Next con made ambig 03jul98...
!assign (resid 285 and name   hn )
       !(resid 283 and name  ha+ )      4.51 2.61 0.00 !  4

assign (resid 285 and name   hn )
       (resid 320 and name  hb2 )      5.50 3.60 0.00 !  1

assign (resid 286 and name   hn )
       (resid 317 and name   ha )      5.50 3.60 0.00 !  1

assign (resid 289 and name   hn )
       (resid 288 and name  hg+ )      5.50 3.60 0.00 !  1

! Next con made ambig 03jul98...
!assign (resid 289 and name   hn )
       !(resid 287 and name   hb )      4.08 2.18 0.00 !  5

assign (resid 302 and name   hn )
       (resid 279 and name  hb1 )      5.50 3.60 0.00 !  2

assign (resid 305 and name   hn )
       (resid 293 and name   ha )      5.50 3.60 0.00 !  2

assign (resid 317 and name   hn )
       (resid 262 and name  hb2 )      5.50 3.60 0.00 !  1

assign (resid 323 and name   hn )
       (resid 323 and name   ha )      5.50 3.60 0.00 !  2

assign (resid 324 and name   hn )
       (resid 323 and name   ha )      4.97 3.07 0.00 !  3

assign (resid 331 and name   hn )
       (resid 277 and name hg++ )      4.51 2.61 0.00 !  4
!
! More NOEs from further searching through the 2D spectra added below 26mar98
!
assign (resid 263 and name   hz )
       (resid 326 and name  hd1 )      2.75 0.85 0.00 !  9           
 
assign (resid 263 and name   hz )
       (resid 325 and name   ha )      3.04 1.14 0.00 !  8           
 
assign (resid 263 and name  he+ )
       (resid 319 and name   ha )      4.08 2.18 0.00 !  5           
 
assign (resid 263 and name  he+ )
       (resid 325 and name   ha )      2.75 0.85 0.00 !  9           
 
assign (resid 263 and name  he+ )
       (resid 263 and name  hb+ )      4.97 3.07 0.00 !  3           
 
assign (resid 263 and name  he+ )
       (resid 319 and name  he+ )      4.51 2.61 0.00 !  4           
 
assign (resid 263 and name  hd+ )
       (resid 319 and name   ha )      4.51 2.61 0.00 !  4           
 
assign (resid 263 and name  hd+ )
       (resid 325 and name   ha )      4.97 3.07 0.00 !  3           
 
assign (resid 263 and name  hd+ )
       (resid 319 and name  he+ )      2.75 0.85 0.00 !  9           
 
assign (resid 291 and name  hz2 )
       (resid 264 and name  hb1 )      5.50 3.60 0.00 !  1           
 
assign (resid 291 and name  he3 )
       (resid 289 and name  hb+ )      3.04 1.14 0.00 !  8           
 
assign (resid 291 and name  hd1 )
       (resid 291 and name  hb2 )      2.75 0.85 0.00 !  9           
 
assign (resid 275 and name  hz2 )
       (resid 306 and name   ha )      5.50 3.60 0.00 !  2           
 
assign (resid 275 and name  hh2 )
       (resid 306 and name   ha )      4.97 3.07 0.00 !  3           
 
assign (resid 275 and name  hh2 )
       (resid 269 and name hg2+ )      5.50 3.60 0.00 !  2           
 
assign (resid 275 and name  he3 )
       (resid 306 and name  hd+ )      5.50 3.60 0.00 !  1           
 
assign (resid 275 and name  he3 )
       (resid 277 and name   hb )      4.51 2.61 0.00 !  4           
 
assign (resid 275 and name  he3 )
       (resid 304 and name   hb )      5.50 3.60 0.00 !  1           
 
assign (resid 319 and name   hn )
       (resid 319 and name  hg+ )      3.35 1.45 0.00 !  7           
 
assign (resid 328 and name  hb+ )
       (resid 251 and name   hb )      4.08 2.18 0.00 !  5           
 
assign (resid 265 and name hg1+ )
       (resid 325 and name hg2+ )      2.75 0.85 0.00 !  9           
 
assign (resid 281 and name hd++ )
       (resid 287 and name hg1+ )      3.35 1.45 0.00 !  7           
!
! NOEs added after 26mar98 run on resolving some ambiguities (24 more)
!
assign (resid 320 and name   hn )
       (resid 319 and name  hd+ )      5.50 3.60 0.00 !  2           
 
assign (resid 320 and name   hn )
       (resid 319 and name  hb1 )      4.97 3.07 0.00 !  3           
 
assign (resid 267 and name   hh )
       (resid 326 and name  hg+ )      4.08 2.18 0.00 !  5           
 
assign (resid 258 and name   hn )
       (resid 258 and name  hb+ )      4.51 2.61 0.00 !  4           
 
assign (resid 259 and name  he3 )
       (resid 262 and name  hg+ )      3.35 1.45 0.00 !  7           
 
assign (resid 319 and name   ha )
       (resid 285 and name  hg+ )      4.08 2.18 0.00 !  5           
 
assign (resid 325 and name   ha )
       (resid 317 and name hg2+ )      5.50 3.60 0.00 !  2           
 
assign (resid 311 and name  hb1 )
       (resid 269 and name hg2+ )      5.50 3.60 0.00 !  1           
 
assign (resid 257 and name   ha )
       (resid 256 and name  hb+ )      5.50 3.60 0.00 !  2           
 
assign (resid 281 and name  hb2 )
       (resid 281 and name   hn )      2.75 0.85 0.00 !  9           
 
assign (resid 282 and name   hn )
       (resid 285 and name  hb2 )      3.70 1.80 0.00 !  6           
 
assign (resid 311 and name   hn )
       (resid 311 and name  hb2 )      3.04 1.14 0.00 !  8           
 
assign (resid 313 and name   hn )
       (resid 313 and name  hb1 )      5.50 3.60 0.00 !  1           
 
assign (resid 314 and name   hn )
       (resid 291 and name  hd1 )      5.50 3.60 0.00 !  2           
 
assign (resid 321 and name   hn )
       (resid 319 and name  hb1 )      4.51 2.61 0.00 !  4           
 
assign (resid 322 and name   hn )
       (resid 319 and name  hb1 )      4.51 2.61 0.00 !  4           
 
assign (resid 328 and name   hn )
       (resid 329 and name hg2+ )      5.50 3.60 0.00 !  1           
 
assign (resid 263 and name  he+ )
       (resid 326 and name  hd1 )      3.35 1.45 0.00 !  7           
 
assign (resid 263 and name  he+ )
       (resid 319 and name  hb1 )      5.50 3.60 0.00 !  2           
 
assign (resid 263 and name  hd+ )
       (resid 255 and name  hd+ )      4.08 2.18 0.00 !  5           
 
assign (resid 259 and name  hz3 )
       (resid 262 and name  hg+ )      5.50 3.60 0.00 !  2           
 
assign (resid 319 and name   hn )
       (resid 319 and name  hd+ )      3.35 1.45 0.00 !  7           
 
assign (resid 306 and name  hd+ )
       (resid 305 and name   hb )      2.75 0.85 0.00 !  9           
 
assign (resid 326 and name  hg+ )
       (resid 317 and name hg2+ )      4.08 2.18 0.00 !  5           

! New constraints found by NOE back-calculation analysis add below
! 
assign (resid 277 and name   hn )
       (resid 305 and name   ha )      5.50 3.60 0.00 !  1           
 
assign (resid 305 and name   ha )
       (resid 304 and name hg1+ )      4.97 3.07 0.00 !  3           
 
assign (resid 249 and name   hn )
       (resid 330 and name  hb+ )      5.50 3.60 0.00 !  1           
 
assign (resid 259 and name  he3 )
       (resid 258 and name   ha )      4.51 2.61 0.00 !  4           
 
assign (resid 262 and name   hn )
       (resid 262 and name  hb1 )      5.50 3.60 0.00 !  1           
 
assign (resid 262 and name   hn )
       (resid 262 and name  hg+ )      5.50 3.60 0.00 !  1           
 
assign (resid 263 and name  hd+ )
       (resid 325 and name hg2+ )      5.50 3.60 0.00 !  1           
 
assign (resid 263 and name   hz )
       (resid 325 and name hg2+ )      5.50 3.60 0.00 !  1           
 
assign (resid 264 and name   hn )
       (resid 258 and name   ha )      5.50 3.60 0.00 !  2           
 
assign (resid 265 and name   hn )
       (resid 291 and name  hh2 )      5.50 3.60 0.00 !  2           
 
assign (resid 267 and name  hd+ )
       (resid 265 and name hg2+ )      5.50 3.60 0.00 !  1           
 
assign (resid 267 and name  he+ )
       (resid 326 and name  hd2 )      5.50 3.60 0.00 !  1           
 
assign (resid 268 and name   hn )
       (resid 267 and name  hd+ )      5.50 3.60 0.00 !  2           
 
assign (resid 269 and name   hn )
       (resid 251 and name hg1+ )      5.50 3.60 0.00 !  1           
 
assign (resid 269 and name   hn )
       (resid 311 and name  hb2 )      5.50 3.60 0.00 !  2           
 
assign (resid 273 and name   hn )
       (resid 274 and name  hb+ )      5.50 3.60 0.00 !  2           
 
assign (resid 275 and name  hz3 )
       (resid 269 and name hg2+ )      5.50 3.60 0.00 !  1           
 
assign (resid 275 and name  hz3 )
       (resid 276 and name   ha )      4.51 2.61 0.00 !  4           
 
assign (resid 275 and name  hz3 )
       (resid 304 and name   hb )      3.70 1.80 0.00 !  6           
 
assign (resid 275 and name  hz3 )
       (resid 306 and name  hd+ )      5.50 3.60 0.00 !  1           
 
assign (resid 275 and name  hz2 )
       (resid 306 and name  hg1 )      5.50 3.60 0.00 !  1           
 
assign (resid 275 and name  hz2 )
       (resid 313 and name  hd+ )      5.50 3.60 0.00 !  1           
 
assign (resid 275 and name  hh2 )
       (resid 277 and name hg++ )      5.50 3.60 0.00 !  2           
 
assign (resid 277 and name   hn )
       (resid 304 and name hg1+ )      5.50 3.60 0.00 !  1           
 
assign (resid 279 and name   hn )
       (resid 279 and name hd1+ )      5.50 3.60 0.00 !  2           
 
assign (resid 282 and name   hn )
       (resid 326 and name  hb+ )      5.50 3.60 0.00 !  1           
 
assign (resid 285 and name   hn )
       (resid 281 and name hd++ )      5.50 3.60 0.00 !  2           
 
assign (resid 289 and name   hn )
       (resid 287 and name   ha )      4.97 3.07 0.00 !  3           
 
assign (resid 291 and name  hz3 )
       (resid 315 and name   ha )      4.97 3.07 0.00 !  3           
 
assign (resid 291 and name  hz3 )
       (resid 316 and name   hb )      5.50 3.60 0.00 !  1           
 
assign (resid 294 and name   hn )
       (resid 294 and name hd2+ )      5.50 3.60 0.00 !  2           
 
assign (resid 294 and name   hn )
       (resid 307 and name  hb1 )      5.50 3.60 0.00 !  1           
 
assign (resid 296 and name   hn )
       (resid 295 and name   hb )      5.50 3.60 0.00 !  1           
 
assign (resid 303 and name   hn )
       (resid 295 and name hg1+ )      5.50 3.60 0.00 !  1           
 
assign (resid 311 and name hd2+ )
       (resid 273 and name   ha )      5.50 3.60 0.00 !  1           
 
assign (resid 312 and name   hn )
       (resid 310 and name  ha+ )      5.50 3.60 0.00 !  1           
 
assign (resid 313 and name  hd+ )
       (resid 277 and name hg++ )      5.50 3.60 0.00 !  1           
 
assign (resid 313 and name  he+ )
       (resid 279 and name hd1+ )      5.50 3.60 0.00 !  1           
 
assign (resid 313 and name  he+ )
       (resid 315 and name hg++ )      5.50 3.60 0.00 !  1           
 
assign (resid 263 and name  hd+ )
       (resid 319 and name   hn )      5.50 3.60 0.00 !  1           
 
assign (resid 320 and name   hn )
       (resid 261 and name   ha )      5.50 3.60 0.00 !  1           
 
assign (resid 320 and name   hn )
       (resid 318 and name  hb1 )      5.50 3.60 0.00 !  1           
 
assign (resid 269 and name hg2+ )
       (resid 251 and name hg2+ )      5.50 3.60 0.00 !  1           
 
assign (resid 255 and name  hd+ )
       (resid 325 and name hg2+ )      4.97 3.07 0.00 !  3           
 
assign (resid 257 and name  hb1 )
       (resid 257 and name  hg+ )      3.35 1.45 0.00 !  7           
 
assign (resid 261 and name  hb2 )
       (resid 318 and name  he+ )      4.51 2.61 0.00 !  4           
 
assign (resid 262 and name   ha )
       (resid 319 and name  hd+ )      4.97 3.07 0.00 !  3           
 
assign (resid 262 and name  hd+ )
       (resid 262 and name  hb1 )      5.50 3.60 0.00 !  2           
 
assign (resid 264 and name   ha )
       (resid 265 and name hg2+ )      5.50 3.60 0.00 !  1           
 
assign (resid 264 and name   ha )
       (resid 316 and name hg2+ )      5.50 3.60 0.00 !  1           
 
assign (resid 266 and name   ha )
       (resid 265 and name hg1+ )      5.50 3.60 0.00 !  1           
 
assign (resid 266 and name   ha )
       (resid 315 and name hg++ )      5.50 3.60 0.00 !  2           
 
assign (resid 267 and name   ha )
       (resid 253 and name   ha )      5.50 3.60 0.00 !  2           
 
assign (resid 269 and name   ha )
       (resid 251 and name hg2+ )      5.50 3.60 0.00 !  1           
 
assign (resid 269 and name   ha )
       (resid 330 and name  hb+ )      5.50 3.60 0.00 !  1           
 
assign (resid 270 and name   ha )
       (resid 269 and name hg1+ )      5.50 3.60 0.00 !  1           
 
assign (resid 272 and name  hb+ )
       (resid 275 and name  hb1 )      5.50 3.60 0.00 !  2           
 
assign (resid 274 and name   ha )
       (resid 306 and name  hg2 )      5.50 3.60 0.00 !  1           
 
assign (resid 275 and name   ha )
       (resid 332 and name  ha+ )      5.50 3.60 0.00 !  2           
 
assign (resid 276 and name   ha )
       (resid 276 and name hg2+ )      2.75 0.85 0.00 !  9           
 
assign (resid 277 and name   ha )
       (resid 276 and name hg2+ )      5.50 3.60 0.00 !  2           
 
assign (resid 278 and name   ha )
       (resid 277 and name hg++ )      5.50 3.60 0.00 !  2           
 
assign (resid 278 and name   ha )
       (resid 304 and name hg2+ )      5.50 3.60 0.00 !  2           
 
assign (resid 279 and name   ha )
       (resid 280 and name  hb+ )      4.51 2.61 0.00 !  4           
 
assign (resid 280 and name   ha )
       (resid 281 and name hd++ )      5.50 3.60 0.00 !  1           
 
assign (resid 282 and name  hb+ )
       (resid 324 and name hg2+ )      4.97 3.07 0.00 !  3           
 
assign (resid 284 and name   ha )
       (resid 284 and name  hb+ )      4.08 2.18 0.00 !  5           
 
assign (resid 284 and name  hb+ )
       (resid 320 and name  hb2 )      5.50 3.60 0.00 !  2           
 
assign (resid 285 and name   ha )
       (resid 286 and name hg2+ )      5.50 3.60 0.00 !  1           
 
assign (resid 285 and name  hb2 )
       (resid 285 and name  hg+ )      5.50 3.60 0.00 !  2           
 
assign (resid 287 and name   hb )
       (resid 287 and name hg1+ )      4.51 2.61 0.00 !  4           
 
assign (resid 289 and name  hb+ )
       (resid 288 and name  hg+ )      5.50 3.60 0.00 !  1           
 
assign (resid 287 and name   hb )
       (resid 287 and name hd1+ )      4.08 2.18 0.00 !  5           
 
assign (resid 288 and name   ha )
       (resid 287 and name hg2+ )      5.50 3.60 0.00 !  1           
 
assign (resid 289 and name   ha )
       (resid 287 and name hg2+ )      5.50 3.60 0.00 !  1           
 
assign (resid 290 and name   ha )
       (resid 289 and name  hb+ )      5.50 3.60 0.00 !  2           
 
assign (resid 290 and name   ha )
       (resid 315 and name   hb )      5.50 3.60 0.00 !  1           
 
assign (resid 290 and name  hb+ )
       (resid 293 and name  hb+ )      5.50 3.60 0.00 !  1           
 
assign (resid 290 and name  hb+ )
       (resid 295 and name   hb )      4.51 2.61 0.00 !  4           
 
assign (resid 295 and name   ha )
       (resid 295 and name   hb )      4.97 3.07 0.00 !  3           
 
assign (resid 295 and name   hb )
       (resid 304 and name hg2+ )      5.50 3.60 0.00 !  1           
 
assign (resid 301 and name   ha )
       (resid 280 and name  hb+ )      4.97 3.07 0.00 !  3           
 
assign (resid 304 and name   ha )
       (resid 304 and name   hb )      5.50 3.60 0.00 !  1           
 
assign (resid 306 and name  hb2 )
       (resid 306 and name  hg2 )      4.08 2.18 0.00 !  5           
 
assign (resid 306 and name  hd+ )
       (resid 305 and name hg2+ )      5.50 3.60 0.00 !  2           
 
assign (resid 309 and name  hb+ )
       (resid 292 and name  hb+ )      5.50 3.60 0.00 !  2           
 
assign (resid 311 and name   ha )
       (resid 269 and name   hb )      5.50 3.60 0.00 !  2           
 
assign (resid 311 and name  hb1 )
       (resid 269 and name   hb )      4.51 2.61 0.00 !  4           
 
assign (resid 314 and name  ha2 )
       (resid 315 and name hg++ )      5.50 3.60 0.00 !  1           
 
assign (resid 315 and name hg++ )
       (resid 279 and name hd2+ )      5.50 3.60 0.00 !  1           
 
assign (resid 316 and name   ha )
       (resid 315 and name hg++ )      5.50 3.60 0.00 !  1           
 
assign (resid 316 and name   ha )
       (resid 316 and name   hb )      5.50 3.60 0.00 !  2           
 
assign (resid 316 and name   hb )
       (resid 288 and name  hb+ )      4.97 3.07 0.00 !  3           
 
assign (resid 318 and name   ha )
       (resid 262 and name  hb2 )      4.51 2.61 0.00 !  4           
 
assign (resid 318 and name   ha )
       (resid 318 and name  hg+ )      5.50 3.60 0.00 !  2           
 
assign (resid 319 and name  he+ )
       (resid 319 and name  hg+ )      4.51 2.61 0.00 !  4           
 
assign (resid 322 and name  hb+ )
       (resid 285 and name  hg+ )      4.97 3.07 0.00 !  3           
 
assign (resid 325 and name   ha )
       (resid 325 and name hg2+ )      2.50 0.60 0.00 ! 10           
 
assign (resid 325 and name hg2+ )
       (resid 265 and name hg1+ )      2.75 0.85 0.00 !  9           
 
assign (resid 327 and name  hb+ )
       (resid 280 and name  hb+ )      3.35 1.45 0.00 !  7           
 
assign (resid 330 and name  hb+ )
       (resid 269 and name hg1+ )      5.50 3.60 0.00 !  1           

assign (resid 285 and name  hg+ )
       (resid 317 and name hg2+ )      5.50 3.60 0.00 !  1 

assign (resid 312 and name   ha )
       (resid 268 and name  hb+ )      5.50 3.60 0.00 !  1

assign (resid 279 and name hd2+ )
       (resid 281 and name hd++ )      5.50 3.60 0.00 !  1

assign (resid 302 and name   ha )
       (resid 302 and name  hg+ )      5.50 3.60 0.00 !  1
!
! Appended after NOE back-calc analysis
! 205 cons in total
!
assign  (resid 320 and name   hn )
       ((resid 319 and name  hb2 ) or (resid 319 and name  hg+ ))    3.70 1.80 0.00   ! 6
 
assign ((resid 279 and name   hn ) or (resid 267 and name   hn ))
       ((resid 314 and name  ha2 ) or (resid 303 and name   ha ))    4.97 3.07 0.00   ! 3
 
assign  (resid 259 and name   hn )
       ((resid 258 and name  hb+ ) or (resid 258 and name  hg+ ))    4.51 2.61 0.00   ! 4
 
assign ((resid 268 and name   hn ) or (resid 285 and name   hn ))
       ((resid 253 and name   ha ) or (resid 284 and name   ha ))    3.70 1.80 0.00   ! 6
 
assign  (resid 267 and name   hh )
       ((resid 325 and name   ha ) or (resid 281 and name   ha ))    5.50 3.60 0.00   ! 2
 
assign  (resid 267 and name   hh )
       ((resid 253 and name  hb+ ) or (resid 279 and name  hb1 ))    4.08 2.18 0.00   ! 5
 
assign  (resid 258 and name   hn )
       ((resid 258 and name  hb+ ) or (resid 258 and name  hg+ ))    4.08 2.18 0.00   ! 5
 
assign  (resid 286 and name   hn )
       ((resid 318 and name  hb2 ) or (resid 318 and name  he+ ))    3.35 1.45 0.00   ! 7
 
assign  (resid 320 and name hd2+ )
       ((resid 318 and name  hb2 ) or (resid 318 and name  he+ ))    4.51 2.61 0.00   ! 4
 
assign  (resid 267 and name  he+ )
       ((resid 326 and name  hg+ ) or (resid 267 and name  hb1 ) or
        (resid 265 and name   hb ))                                  2.50 0.60 0.00   ! 10
 
assign  (resid 267 and name  he+ )
       ((resid 267 and name  hb2 ) or (resid 315 and name hg++ ))    2.50 0.60 0.00   ! 10
 
assign ((resid 313 and name   hz ) or (resid 267 and name  hd+ ))
        (resid 279 and name hd2+ )                                   3.35 1.45 0.00   ! 7
 
assign ((resid 326 and name  hd2 ) or (resid 333 and name  hb+ ))
       ((resid 325 and name   ha ) or (resid 281 and name   ha ) or
        (resid 248 and name  ha+ ))                                  3.35 1.45 0.00   ! 7
 
assign ((resid 279 and name   ha ) or (resid 267 and name   ha ))
       ((resid 251 and name hg1+ ) or (resid 277 and name hg++ ))    4.97 3.07 0.00   ! 3
 
assign  (resid 318 and name   ha )
       ((resid 317 and name hg1+ ) or (resid 317 and name   hb ))    5.50 3.60 0.00   ! 2
 
assign ((resid 252 and name   ha ) or (resid 295 and name   ha ))
       ((resid 253 and name  hb+ ) or (resid 305 and name hg2+ ))    4.97 3.07 0.00   ! 3
 
assign ((resid 300 and name   ha ) or (resid 265 and name   ha ))
       ((resid 281 and name  hb1 ) or (resid 255 and name  hg+ ))    4.51 2.61 0.00   ! 4
 
assign ((resid 321 and name  ha1 ) or (resid 326 and name   ha ))
       ((resid 326 and name  hg+ ) or (resid 319 and name  hd+ ))    3.35 1.45 0.00   ! 7
 
assign ((resid 332 and name  ha+ ) or (resid 255 and name   ha ))
       ((resid 276 and name hg2+ ) or (resid 253 and name  hb+ ))    5.50 3.60 0.00   ! 2
 
assign ((resid 281 and name   ha ) or (resid 325 and name   ha ))
        (resid 281 and name hd++ )                                   2.50 0.60 0.00   ! 10
 
assign ((resid 281 and name   ha ) or (resid 300 and name  hb+ ))
       ((resid 281 and name   hg ) or (resid 281 and name  hb1 ))    2.75 0.85 0.00   ! 9
 
assign  (resid 281 and name  hb2 )
       ((resid 281 and name   ha ) or (resid 300 and name  hb+ ))    4.51 2.61 0.00   ! 4
 
assign  (resid 331 and name  hb+ )
       ((resid 332 and name  ha+ ) or (resid 276 and name   hb ))    3.35 1.45 0.00   ! 7
 
assign  (resid 326 and name  hd2 )
       ((resid 317 and name   hb ) or (resid 317 and name hg1+ ))    4.97 3.07 0.00   ! 3
 
assign ((resid 324 and name   hb ) or (resid 322 and name  hb+ ))
       ((resid 282 and name  hb+ ) or (resid 320 and name  hb2 ))    4.51 2.61 0.00   ! 4
 
assign ((resid 322 and name  hb+ ) or (resid 283 and name  ha+ ))
       ((resid 282 and name  hb+ ) or (resid 320 and name  hb2 ))    5.50 3.60 0.00   ! 2
 
assign ((resid 324 and name   hb ) or (resid 322 and name  hb+ ))
        (resid 282 and name  hb+ )                                   5.50 3.60 0.00   ! 2
 
assign  (resid 268 and name  hb+ )
       ((resid 312 and name hg2+ ) or (resid 252 and name hg2+ ))    3.35 1.45 0.00   ! 7
 
assign  (resid 259 and name  hb2 )
       ((resid 262 and name  hb2 ) or (resid 262 and name  hg+ ))    4.51 2.61 0.00   ! 4
 
assign  (resid 263 and name  hb+ )
       ((resid 258 and name  hb+ ) or (resid 258 and name  hg+ ))    4.97 3.07 0.00   ! 3
 
assign  (resid 304 and name hg2+ )
       ((resid 277 and name hg++ ) or (resid 295 and name hg2+ ))    3.04 1.14 0.00   ! 8
 
assign  (resid 277 and name hg++ )
       ((resid 279 and name hd2+ ) or (resid 269 and name hg1+ ))    2.50 0.60 0.00   ! 10
 
assign  (resid 265 and name hg1+ )
       ((resid 315 and name hg++ ) or (resid 267 and name  hb2 ))    3.70 1.80 0.00   ! 6
 
assign  (resid 262 and name   ha )
       ((resid 262 and name  hg+ ) or (resid 319 and name  hg+ ))    3.35 1.45 0.00   ! 7
 
assign  (resid 285 and name   hn )
       ((resid 281 and name   hg ) or (resid 281 and name  hb1 ))    5.50 3.60 0.00   ! 2
 
assign  (resid 282 and name   hn )
       ((resid 281 and name   hg ) or (resid 281 and name  hb1 ))    3.35 1.45 0.00   ! 7
 
assign  (resid 328 and name  hb+ )
       ((resid 251 and name hg1+ ) or (resid 277 and name hg++ ))    2.50 0.60 0.00   ! 10
 
assign  (resid 304 and name hg2+ )
       ((resid 279 and name  hb2 ) or (resid 279 and name   hg ))    3.04 1.14 0.00   ! 8
 
assign  (resid 277 and name hg++ )
       ((resid 279 and name  hb2 ) or (resid 279 and name   hg ))    3.70 1.80 0.00   ! 6
 
assign  (resid 279 and name hd1+ )
       ((resid 302 and name  hb2 ) or (resid 302 and name  hg+ ))    4.97 3.07 0.00   ! 3
 
assign  (resid 304 and name hg2+ )
       ((resid 302 and name  hb2 ) or (resid 302 and name  hg+ ))    5.50 3.60 0.00   ! 2
 
assign  (resid 295 and name hg1+ )
       ((resid 302 and name  hb2 ) or (resid 302 and name  hg+ ))    4.08 2.18 0.00   ! 5
 
assign  (resid 261 and name   hn )
       ((resid 261 and name  hb2 ) or (resid 319 and name  he+ ))    4.97 3.07 0.00   ! 3
 
assign  (resid 261 and name   hn )
       ((resid 262 and name  hb2 ) or (resid 319 and name  hd+ ))    5.50 3.60 0.00   ! 2
 
assign  (resid 262 and name   hn )
       ((resid 261 and name  hb2 ) or (resid 319 and name  he+ ))    4.51 2.61 0.00   ! 4
 
assign  (resid 263 and name   hn )
       ((resid 262 and name  hb2 ) or (resid 262 and name  hg+ ))    3.35 1.45 0.00   ! 7
 
assign  (resid 273 and name   hn )
       ((resid 273 and name  hb+ ) or (resid 272 and name  hb+ ))    2.50 0.60 0.00   ! 10
 
assign  (resid 274 and name   hn )
       ((resid 272 and name  hb+ ) or (resid 273 and name  hb+ ))    4.51 2.61 0.00   ! 4
 
assign  (resid 278 and name   hn )
       ((resid 331 and name   hn ) or (resid 279 and name   hn ))    5.50 3.60 0.00   ! 1
 
assign  (resid 279 and name   hn )
       ((resid 279 and name   ha ) or (resid 302 and name   ha ))    4.08 2.18 0.00   ! 5
 
assign  (resid 279 and name   hn )
       ((resid 279 and name  hb2 ) or (resid 279 and name   hg ))    3.35 1.45 0.00   ! 7
 
assign  (resid 281 and name   hn )
       ((resid 281 and name   hg ) or (resid 281 and name  hb1 ) or
        (resid 302 and name  hb2 ))                                  2.50 0.60 0.00   ! 10
 
assign  (resid 281 and name   hn )
       ((resid 301 and name hg2+ ) or (resid 302 and name  hg+ ))    4.97 3.07 0.00   ! 3
 
assign  (resid 282 and name   hn )
       ((resid 281 and name   hg ) or (resid 281 and name  hb1 ) or
        (resid 285 and name  hb1 ))                                  4.51 2.61 0.00   ! 4
 
assign  (resid 282 and name hd2+ )
       ((resid 323 and name   ha ) or (resid 326 and name   ha ))    3.04 1.14 0.00   ! 8
 
assign  (resid 285 and name   hn )
       ((resid 317 and name hg1+ ) or (resid 281 and name hd++ ))    5.50 3.60 0.00   ! 1
 
assign  (resid 285 and name he2+ )
       ((resid 285 and name   ha ) or (resid 326 and name  hd1 ))    4.97 3.07 0.00   ! 3
 
assign  (resid 285 and name he2+ )
       ((resid 282 and name  hb+ ) or (resid 320 and name  hb2 ))    4.97 3.07 0.00   ! 3
 
assign  (resid 288 and name   hn )
       ((resid 288 and name  hg+ ) or (resid 318 and name  hg+ ))    4.97 3.07 0.00   ! 3
 
assign  (resid 288 and name   hn )
       ((resid 287 and name   hb ) or (resid 288 and name  hb+ ))    3.04 1.14 0.00   ! 8
 
assign  (resid 296 and name   hn )
       ((resid 296 and name hg2+ ) or (resid 303 and name hg2+ ))    3.35 1.45 0.00   ! 7
 
assign  (resid 298 and name   hn )
       ((resid 297 and name  ha+ ) or (resid 298 and name  hb+ ))    2.50 0.60 0.00   ! 10
 
assign  (resid 299 and name   hn )
       ((resid 297 and name  ha+ ) or (resid 298 and name  hb+ ))    2.75 0.85 0.00   ! 9
 
assign  (resid 302 and name   he )
       ((resid 302 and name  hb2 ) or (resid 302 and name  hg+ ))    4.51 2.61 0.00   ! 4
 
assign  (resid 302 and name   he )
       ((resid 287 and name hg1+ ) or (resid 302 and name  hg+ ))    4.51 2.61 0.00   ! 4
 
assign  (resid 262 and name   he )
       ((resid 262 and name  hg+ ) or (resid 262 and name  hb2 ))    3.35 1.45 0.00   ! 7
 
assign  (resid 305 and name   hn )
       ((resid 305 and name   ha ) or (resid 295 and name   ha ))    4.97 3.07 0.00   ! 3
 
assign  (resid 305 and name   hn )
       ((resid 305 and name hg2+ ) or (resid 293 and name  hb+ ))    4.51 2.61 0.00   ! 4
 
assign  (resid 311 and name   hn )
       ((resid 311 and name  hb1 ) or (resid 292 and name  hb+ ))    4.08 2.18 0.00   ! 5
 
assign  (resid 312 and name   hn )
       ((resid 311 and name  hb2 ) or (resid 313 and name  hb1 ))    5.50 3.60 0.00   ! 1
 
assign  (resid 313 and name   hn )
       ((resid 313 and name   ha ) or (resid 268 and name   ha ))    3.70 1.80 0.00   ! 6
 
assign  (resid 318 and name   hn )
       ((resid 286 and name hg2+ ) or (resid 316 and name hg2+ ))    5.50 3.60 0.00   ! 2
 
assign  (resid 320 and name hd2+ )
       ((resid 320 and name   ha ) or (resid 284 and name  hb+ ))    5.50 3.60 0.00   ! 2
 
assign  (resid 321 and name   hn )
       ((resid 319 and name  hb2 ) or (resid 319 and name  hg+ ))    4.97 3.07 0.00   ! 3
 
assign  (resid 322 and name   hn )
       ((resid 320 and name   ha ) or (resid 319 and name   ha ))    5.50 3.60 0.00   ! 2
 
assign  (resid 322 and name   hn )
       ((resid 321 and name  ha2 ) or (resid 322 and name  hb+ ))    5.50 3.60 0.00   ! 2
 
assign  (resid 323 and name   hn )
       ((resid 323 and name  hb+ ) or (resid 322 and name  hb+ ))    3.35 1.45 0.00   ! 7
 
assign  (resid 325 and name   hn )
       ((resid 324 and name   hb ) or (resid 323 and name  hb+ ))    4.97 3.07 0.00   ! 3
 
assign  (resid 328 and name   hn )
       ((resid 279 and name   hg ) or (resid 329 and name hg2+ ))    5.50 3.60 0.00   ! 1
 
assign  (resid 263 and name   hz )
       ((resid 326 and name   ha ) or (resid 323 and name   ha ))    5.50 3.60 0.00   ! 2
 
assign  (resid 263 and name   hz )
       ((resid 326 and name  hd2 ) or (resid 322 and name  hb+ ))    4.08 2.18 0.00   ! 5
 
assign  (resid 263 and name   hz )
       ((resid 326 and name  hg+ ) or (resid 285 and name  hb1 ) or
        (resid 319 and name  hd+ ))                                  4.97 3.07 0.00   ! 3
 
assign  (resid 263 and name  he+ )
       ((resid 326 and name  hd2 ) or (resid 322 and name  hb+ ))    4.51 2.61 0.00   ! 4
 
assign  (resid 263 and name  he+ )
       ((resid 255 and name  hd+ ) or (resid 285 and name  hg+ ))    4.97 3.07 0.00   ! 3
 
assign  (resid 263 and name  he+ )
       ((resid 319 and name  hb+ ) or (resid 319 and name  hg+ ))    5.50 3.60 0.00   ! 2
 
assign  (resid 263 and name  he+ )
       ((resid 265 and name   hb ) or (resid 326 and name  hg+ ) or
        (resid 285 and name  hb1 ) or (resid 319 and name  hd+ ))    2.75 0.85 0.00   ! 9
 
assign  (resid 263 and name  he+ )
       ((resid 255 and name  hg+ ) or (resid 319 and name  hg+ ))    4.51 2.61 0.00   ! 4
 
assign  (resid 263 and name  hd+ )
       ((resid 319 and name  hd+ ) or (resid 265 and name   hb ))    2.50 0.60 0.00   ! 10
 
assign  (resid 263 and name  hd+ )
       ((resid 255 and name  hg+ ) or (resid 255 and name  hb2 ) or
        (resid 319 and name  hg+ ))                                  4.97 3.07 0.00   ! 3
 
assign ((resid 275 and name  hd1 ) or (resid 278 and name hd2+ ))
       ((resid 301 and name hg2+ ) or (resid 269 and name   hb ))    4.97 3.07 0.00   ! 3
 
assign  (resid 313 and name  hd+ )
       ((resid 313 and name   ha ) or (resid 268 and name   ha ))    5.50 3.60 0.00   ! 2
 
assign ((resid 291 and name  hh2 ) or (resid 259 and name  hz3 ))
        (resid 264 and name  hb1 )                                   4.97 3.07 0.00   ! 3
 
assign ((resid 291 and name  hh2 ) or (resid 259 and name  hz3 ))
        (resid 264 and name  hb2 )                                   4.97 3.07 0.00   ! 3
 
assign ((resid 291 and name  hh2 ) or (resid 259 and name  hz3 ))
        (resid 316 and name hg2+ )                                   4.51 2.61 0.00   ! 4
 
assign ((resid 275 and name  hh2 ) or (resid 278 and name hd2+ ))
       ((resid 301 and name hg2+ ) or (resid 269 and name   hb ))    5.50 3.60 0.00   ! 2
 
assign ((resid 319 and name   hn ) or (resid 322 and name   hn ))
        (resid 319 and name  hb1 )                                   4.08 2.18 0.00   ! 5
 
assign ((resid 319 and name   hn ) or (resid 322 and name   hn ))
       ((resid 319 and name  hb2 ) or (resid 319 and name  hg+ ))    3.70 1.80 0.00   ! 6
 
assign ((resid 317 and name   hb ) or (resid 317 and name hg1+ ))
       ((resid 285 and name  hb2 ) or (resid 326 and name  hg+ ))    3.35 1.45 0.00   ! 7
 
assign  (resid 281 and name hd++ )
       ((resid 285 and name  hb2 ) or (resid 326 and name  hg+ ))    2.75 0.85 0.00   ! 9
 
assign  (resid 281 and name   hg )
       ((resid 285 and name  hb2 ) or (resid 326 and name  hg+ ))    3.04 1.14 0.00   ! 8
 
assign  (resid 279 and name hd2+ )
       ((resid 302 and name  hb1 ) or (resid 326 and name  hg+ ))    5.50 3.60 0.00   ! 2
 
assign  (resid 281 and name hd++ )
       ((resid 302 and name  hg+ ) or (resid 302 and name  hb2 ))    3.70 1.80 0.00   ! 6
 
assign  (resid 281 and name hd++ )
       ((resid 279 and name  hb2 ) or (resid 287 and name hg1+ ))    3.70 1.80 0.00   ! 6

assign ((resid 259 and name  hz3 ) or (resid 291 and name  hh2 ))
        (resid 264 and name hd21 )                                   4.08 2.18 0.00   ! 5 

assign  (resid 285 and name he2+ )
       ((resid 322 and name hb+  ) or (resid 324 and name hb   ))    3.70 1.80 0.00   ! 6
!
! CONS added below after NOE back-calc analysis...
!
assign ((resid 253 and name   hn ) or (resid 318 and name   hn ))
       ((resid 253 and name   ha ) or (resid 318 and name   ha ))    3.35 1.45 0.00   ! 7
 
assign  (resid 255 and name   hn )
       ((resid 255 and name  hb2 ) or (resid 255 and name  hg+ ))    3.35 1.45 0.00   ! 7
 
assign  (resid 255 and name   he )
       ((resid 255 and name  hb2 ) or (resid 255 and name  hg+ ))    4.97 3.07 0.00   ! 3
 
assign ((resid 291 and name  hh2 ) or (resid 259 and name  hz3 ))
        (resid 264 and name   ha )                                   5.50 3.60 0.00   ! 1
 
assign  (resid 262 and name   hn )
       ((resid 262 and name  hb2 ) or (resid 262 and name  hg+ ))    3.70 1.80 0.00   ! 6
 
assign ((resid 263 and name   hn ) or (resid 279 and name   hn ))
       ((resid 262 and name  hg+ ) or (resid 302 and name  hg+ ))    5.50 3.60 0.00   ! 2
 
assign  (resid 263 and name  hd+ )
       ((resid 319 and name  hg+ ) or (resid 255 and name  hg+ ))    3.35 1.45 0.00   ! 7
 
assign  (resid 263 and name  hd+ )
       ((resid 326 and name   ha ) or (resid 323 and name   ha ))    4.51 2.61 0.00   ! 4
 
assign  (resid 263 and name  he+ )
       ((resid 317 and name   hb ) or (resid 317 and name hg1+ ))    4.97 3.07 0.00   ! 3
 
assign ((resid 282 and name hd2+ ) or (resid 263 and name  he+ ))
       ((resid 324 and name   ha ) or (resid 325 and name   hb ))    5.50 3.60 0.00   ! 1
 
assign ((resid 266 and name   hn ) or (resid 252 and name   hn ) or (resid 328 and name   hn ))
        (resid 267 and name  hd+ )                                   5.50 3.60 0.00   ! 2
 
assign ((resid 313 and name   hz ) or (resid 267 and name  hd+ ))
       ((resid 253 and name  hb+ ) or (resid 279 and name   hg ))    2.75 0.85 0.00   ! 9
 
assign ((resid 313 and name   hz ) or (resid 267 and name  hd+ ))
        (resid 279 and name hd1+ )                                   3.70 1.80 0.00   ! 6
 
assign  (resid 269 and name   hn )
       ((resid 268 and name  hb+ ) or (resid 311 and name  hb1 ))    4.08 2.18 0.00   ! 5
 
assign  (resid 275 and name  he3 )
       ((resid 276 and name hg2+ ) or (resid 305 and name hg2+ ))    5.50 3.60 0.00   ! 1
 
assign  (resid 275 and name  hh2 )
       ((resid 313 and name  hb1 ) or (resid 311 and name  hb2 ))    5.50 3.60 0.00   ! 1
 
assign ((resid 282 and name   hn ) or (resid 274 and name   hn ))
       ((resid 275 and name  hb1 ) or (resid 285 and name  hg+ ))    5.50 3.60 0.00   ! 1
 
assign  (resid 285 and name   hn )
       ((resid 283 and name  ha+ ) or (resid 322 and name  hb+ ))    4.51 2.61 0.00   ! 4
 
assign  (resid 285 and name he2+ )
       ((resid 263 and name  he+ ) or (resid 282 and name hd2+ ))    3.70 1.80 0.00   ! 6
 
assign  (resid 285 and name he2+ )
       ((resid 285 and name  hb1 ) or (resid 319 and name  hd+ ) or
        (resid 326 and name  hg+ ))                                  5.50 3.60 0.00   ! 1
 
assign  (resid 285 and name he2+ )
       ((resid 317 and name hg1+ ) or (resid 317 and name   hb ))    4.08 2.18 0.00   ! 5
 
assign  (resid 286 and name   hn )
       ((resid 317 and name hg1+ ) or (resid 317 and name   hb ))    4.51 2.61 0.00   ! 4
 
assign  (resid 289 and name   hn )
       ((resid 287 and name   hb ) or (resid 288 and name  hb+ ))    4.08 2.18 0.00   ! 5
 
assign  (resid 291 and name   hn )
       ((resid 291 and name  he3 ) or (resid 291 and name  hd1 ))    4.97 3.07 0.00   ! 3
 
assign  (resid 301 and name   hn )
       ((resid 301 and name   hb ) or (resid 299 and name  ha+ ))    3.35 1.45 0.00   ! 7
 
assign  (resid 303 and name   hn )
       ((resid 303 and name   ha ) or (resid 297 and name  ha+ ))    4.97 3.07 0.00   ! 3
 
assign  (resid 307 and name hd2+ )
       ((resid 308 and name  ha1 ) or (resid 292 and name   ha ))    5.50 3.60 0.00   ! 1
 
assign  (resid 316 and name   hn )
       ((resid 315 and name hg++ ) or (resid 287 and name hg2+ ))    3.04 1.14 0.00   ! 8
 
assign  (resid 317 and name   hn )
       ((resid 317 and name   hb ) or (resid 317 and name hg1+ ))    2.75 0.85 0.00   ! 9
 
assign  (resid 318 and name   hn )
       ((resid 317 and name   hb ) or (resid 317 and name hg1+ ))    3.35 1.45 0.00   ! 7
 
assign  (resid 319 and name   hn )
       ((resid 318 and name  hb2 ) or (resid 262 and name  hb1 ))    4.97 3.07 0.00   ! 3
 
assign  (resid 320 and name   hn )
       ((resid 320 and name   ha ) or (resid 319 and name   ha ))    2.50 0.60 0.00   ! 10
 
assign  (resid 324 and name   hn )
       ((resid 324 and name   hb ) or (resid 322 and name  hb+ ) or
        (resid 323 and name  hb+ ))                                  2.50 0.60 0.00   ! 10
 
assign ((resid 330 and name  hb+ ) or (resid 314 and name  ha1 ))
       ((resid 250 and name   ha ) or (resid 266 and name   ha ))    4.51 2.61 0.00   ! 4LOW
 
assign ((resid 251 and name   ha ) or (resid 304 and name   ha ))
       ((resid 269 and name hg1+ ) or (resid 279 and name hd2+ ))    5.50 3.60 0.00   ! 1
 
assign  (resid 269 and name hg2+ )
       ((resid 251 and name hg1+ ) or (resid 277 and name hg++ ))    2.50 0.60 0.00   ! 10
 
assign ((resid 255 and name   ha ) or (resid 254 and name   ha ))
       ((resid 255 and name  hb2 ) or (resid 255 and name  hg+ ))    4.08 2.18 0.00   ! 5
 
assign ((resid 255 and name  hd+ ) or (resid 264 and name  hb1 ))
       ((resid 255 and name  hb1 ) or (resid 257 and name  hg+ ))    4.97 3.07 0.00   ! 3
 
assign ((resid 257 and name   ha ) or (resid 323 and name  hb+ ))
       ((resid 257 and name  hb2 ) or (resid 319 and name  hd+ ))    4.08 2.18 0.00   ! 5
 
assign  (resid 261 and name   ha )
       ((resid 319 and name  hb2 ) or (resid 319 and name  hg+ ))    5.50 3.60 0.00   ! 2
 
assign  (resid 262 and name   ha )
       ((resid 262 and name  hb2 ) or (resid 262 and name  hg+ ))    3.04 1.14 0.00   ! 8
 
assign ((resid 262 and name  hb1 ) or (resid 326 and name  hb+ ))
       ((resid 280 and name  hb+ ) or (resid 262 and name  hg+ ))    4.51 2.61 0.00   ! 4
 
assign ((resid 262 and name  hd+ ) or (resid 302 and name  hd+ ))
       ((resid 262 and name  hg+ ) or (resid 302 and name  hg+ ))    4.51 2.61 0.00   ! 4
 
assign  (resid 263 and name   ha )
       ((resid 262 and name  hb2 ) or (resid 262 and name  hg+ ))    5.50 3.60 0.00   ! 1
 
assign  (resid 263 and name  hb+ )
       ((resid 258 and name  hb+ ) or (resid 258 and name  hg+ ))    5.50 3.60 0.00   ! 1
 
assign ((resid 265 and name   ha ) or (resid 300 and name   ha ))
       ((resid 256 and name  hb+ ) or (resid 302 and name  hg+ ))    5.50 3.60 0.00   ! 1
 
assign ((resid 265 and name   ha ) or (resid 300 and name   ha ))
       ((resid 281 and name  hb2 ) or (resid 265 and name   hb ))    4.97 3.07 0.00   ! 3
 
assign ((resid 279 and name   ha ) or (resid 267 and name   ha ))
        (resid 328 and name  hb+ )                                   4.51 2.61 0.00   ! 4
 
assign  (resid 269 and name hg2+ )
       ((resid 330 and name   ha ) or (resid 251 and name   ha ) or
        (resid 268 and name   ha ) or (resid 277 and name   ha ))    4.08 2.18 0.00   ! 5
 
assign ((resid 285 and name   ha ) or (resid 271 and name  ha1 ))
       ((resid 285 and name  hg+ ) or (resid 249 and name  hb2 ))    4.08 2.18 0.00   ! 5
 
assign ((resid 272 and name  hb+ ) or (resid 284 and name  hb+ ))
       ((resid 275 and name  hb1 ) or (resid 285 and name  hg+ ) or
        (resid 249 and name  hb2 ))                                  5.50 3.60 0.00   ! 2
 
assign ((resid 275 and name  hb2 ) or (resid 249 and name  hb1 ))
        (resid 269 and name hg2+ )                                   5.50 3.60 0.00   ! 1
 
assign ((resid 275 and name  hb2 ) or (resid 249 and name  hb1 ))
        (resid 269 and name hg1+ )                                   3.70 1.80 0.00   ! 6
 
assign  (resid 278 and name   ha )
       ((resid 279 and name  hb2 ) or (resid 279 and name   hg ))    5.50 3.60 0.00   ! 1
 
assign ((resid 281 and name   ha ) or (resid 325 and name   ha ))
        (resid 326 and name  hb+ )                                   3.70 1.80 0.00   ! 6
 
assign ((resid 287 and name   ha ) or (resid 284 and name   ha ))
       ((resid 284 and name  hb+ ) or (resid 317 and name   ha ))    4.08 2.18 0.00   ! 5
 
assign ((resid 326 and name  hd1 ) or (resid 285 and name   ha ))
        (resid 281 and name hd++ )                                   5.50 3.60 0.00   ! 1
 
assign ((resid 285 and name   ha ) or (resid 326 and name  hd1 ))
       ((resid 317 and name hg1+ ) or (resid 317 and name   hb ))    3.70 1.80 0.00   ! 6
 
assign  (resid 285 and name  hg+ )
       ((resid 317 and name hg1+ ) or (resid 317 and name   hb ))    3.35 1.45 0.00   ! 7
 
assign  (resid 287 and name   hb )
       ((resid 287 and name hg1+ ) or (resid 302 and name  hg+ ))    3.70 1.80 0.00   ! 6
 
assign ((resid 289 and name  hb+ ) or (resid 319 and name  hg+ ) or (resid 319 and name  hb2 ))
       ((resid 288 and name  hg+ ) or (resid 318 and name  hg+ ))    5.50 3.60 0.00   ! 1
 
assign ((resid 288 and name   ha ) or (resid 306 and name   ha ))
       ((resid 288 and name  hb+ ) or (resid 287 and name   hb ) or
        (resid 306 and name  hb2 ))                                  3.04 1.14 0.00   ! 8
 
assign ((resid 288 and name   ha ) or (resid 285 and name   ha ))
       ((resid 318 and name  hg+ ) or (resid 288 and name  hg+ ))    4.51 2.61 0.00   ! 4
 
assign ((resid 288 and name   ha ) or (resid 285 and name   ha ))
       ((resid 288 and name  hg+ ) or (resid 320 and name  hb2 ))    4.97 3.07 0.00   ! 3
 
assign  (resid 290 and name  hb+ )
       ((resid 315 and name hg++ ) or (resid 287 and name hg2+ ))    2.75 0.85 0.00   ! 9
 
assign ((resid 292 and name   ha ) or (resid 308 and name  ha1 ))
        (resid 309 and name  hb+ )                                   3.70 1.80 0.00   ! 6
 
assign ((resid 296 and name   ha ) or (resid 250 and name   ha ))
       ((resid 295 and name hg1+ ) or (resid 251 and name hg2+ ))    5.50 3.60 0.00   ! 1
 
assign ((resid 302 and name   ha ) or (resid 279 and name   ha ))
       ((resid 302 and name  hb2 ) or (resid 302 and name  hg+ ))    4.97 3.07 0.00   ! 3
 
assign  (resid 302 and name  hd+ )
       ((resid 302 and name  hg+ ) or (resid 287 and name hg1+ ))    4.97 3.07 0.00   ! 3
 
assign  (resid 304 and name   ha )
       ((resid 303 and name hg2+ ) or (resid 296 and name hg2+ ))    5.50 3.60 0.00   ! 1
 
assign  (resid 304 and name   hb )
       ((resid 277 and name hg++ ) or (resid 295 and name hg1+ ))    4.08 2.18 0.00   ! 5
 
assign ((resid 306 and name   ha ) or (resid 327 and name   ha ))
       ((resid 326 and name  hb+ ) or (resid 306 and name  hb1 ))    3.04 1.14 0.00   ! 8
 
assign ((resid 311 and name  hb1 ) or (resid 270 and name  hb+ ))
        (resid 269 and name hg1+ )                                   5.50 3.60 0.00   ! 1
 
assign ((resid 315 and name   hb ) or (resid 326 and name  hb+ ))
        (resid 279 and name hd2+ )                                   4.51 2.61 0.00   ! 4
 
assign ((resid 316 and name   hb ) or (resid 310 and name  ha+ ))
       ((resid 288 and name  hb+ ) or (resid 306 and name  hb2 ))    5.50 3.60 0.00   ! 2
 
assign  (resid 317 and name   ha )
       ((resid 317 and name   hb ) or (resid 317 and name hg1+ ))    2.50 0.60 0.00   ! 10
 
assign ((resid 317 and name   ha ) or (resid 320 and name   ha ))
       ((resid 318 and name  hb2 ) or (resid 262 and name  hb1 ))    5.50 3.60 0.00   ! 2
 
assign  (resid 318 and name   ha )
       ((resid 318 and name  hg+ ) or (resid 262 and name  hd+ ))    5.50 3.60 0.00   ! 2
 
assign ((resid 326 and name  hb+ ) or (resid 318 and name  hb2 ))
       ((resid 317 and name   hb ) or (resid 317 and name hg1+ ))    4.97 3.07 0.00   ! 3
 
assign ((resid 319 and name   ha ) or (resid 320 and name   ha ) or (resid 317 and name   ha ))
       ((resid 288 and name  hb+ ) or (resid 319 and name  hb1 ))    4.08 2.18 0.00   ! 5
 
assign ((resid 319 and name   ha ) or (resid 317 and name   ha ))
       ((resid 319 and name  hg+ ) or (resid 281 and name   hg ) or
        (resid 281 and name  hb1 ))                                  5.50 3.60 0.00   ! 2
 
assign ((resid 319 and name   ha ) or (resid 317 and name   ha ))
       ((resid 319 and name  hd+ ) or (resid 285 and name  hb1 ) or
        (resid 288 and name  hb+ ))                                  3.35 1.45 0.00   ! 7
 
assign  (resid 319 and name  he+ )
       ((resid 319 and name  hg+ ) or (resid 319 and name  hb2 ))    5.50 3.60 0.00   ! 1
 
assign ((resid 321 and name  ha1 ) or (resid 323 and name   ha ))
        (resid 319 and name  hb1 )                                   5.50 3.60 0.00   ! 1
 
assign ((resid 322 and name  hb+ ) or (resid 283 and name  ha+ ))
        (resid 282 and name  hb+ )                                   5.50 3.60 0.00   ! 1
 
assign ((resid 322 and name  hb+ ) or (resid 283 and name  ha+ ))
        (resid 285 and name  hg+ )                                   5.50 3.60 0.00   ! 1
 
assign ((resid 323 and name   ha ) or (resid 321 and name  ha1 ) or (resid 329 and name   ha ))
       ((resid 319 and name  he+ ) or (resid 320 and name  hb1 ) or
        (resid 330 and name  hb+ ))                                  5.50 3.60 0.00   ! 2LOW
 
assign ((resid 326 and name  hd2 ) or (resid 333 and name  hb+ ))
       ((resid 325 and name hg2+ ) or (resid 274 and name  hb+ ))    3.04 1.14 0.00   ! 8
 
assign ((resid 326 and name  hd2 ) or (resid 283 and name  ha+ ) or (resid 322 and name  hb+ ))
       ((resid 285 and name  hb2 ) or (resid 326 and name  hg+ ))    5.50 3.60 0.00   ! 2
 
assign ((resid 285 and name   ha ) or (resid 326 and name  hd1 ))
        (resid 317 and name hg2+ )                                   4.08 2.18 0.00   ! 5
 
assign  (resid 326 and name  hd1 )
       ((resid 325 and name   ha ) or (resid 281 and name   ha ))    2.75 0.85 0.00   ! 9
 
assign ((resid 326 and name  hd1 ) or (resid 285 and name   ha ))
       ((resid 326 and name  hg+ ) or (resid 285 and name  hb2 ))    4.08 2.18 0.00   ! 5
 
assign  (resid 328 and name   ha )
       ((resid 329 and name hg2+ ) or (resid 279 and name  hb2 ) or
        (resid 279 and name   hg ))                                  4.97 3.07 0.00   ! 3
 
assign  (resid 302 and name   hn )
       ((resid 302 and name  hb2 ) or (resid 302 and name  hg+ ))    3.35 1.45 0.00   ! 7

assign ((resid 292 and name  hb+ ) or (resid 323 and name  hb+ ) or
        (resid 250 and name  hb+ ))
       ((resid 319 and name  he+ ) or (resid 314 and name  ha1 ) or 
        (resid 330 and name  hb+ ))                                  5.50 3.60 0.00   ! 1LOW

assign ((resid 255 and name  hb1 ) or (resid 326 and name  hb+ ))
       ((resid 255 and name  hg+ ) or (resid 281 and name   hg ) or
        (resid 281 and name  hb1 ))                                  4.51 2.61 0.00   ! 4

assign ((resid 295 and name hg1+ ) or (resid 277 and name hg++ ))
        (resid 304 and name hg1+ )                                   4.97 3.07 0.00 !  3

assign ((resid 295 and name hg1+ ) or (resid 277 and name hg++ ))
        (resid 304 and name hg2+ )                                   3.04 1.14 0.00 !  8

assign ((resid 330 and name  hb+ ) or (resid 285 and name  hg+ ))
       ((resid 251 and name hg2+ ) or (resid 281 and name hd++ ))    4.51 2.61 0.00   ! 4HIGH

assign ((resid 286 and name   ha ) or (resid 326 and name   ha ))
        (resid 281 and name hd++ )                                   3.70 1.80 0.00 !  6

restraints dihedral reset
!
! RESIDUE     c 249 , J=  6.97284
!
!MANUAL CONSTRAINT
assign (resid  248  and name C)  (resid  249  and name N)
       (resid  249  and name CA) (resid  249  and name C)  1.0 -120.0 60.0 2
!
! RESIDUE     s 250 , J=  9.32487
!
assign (resid  249  and name C)  (resid  250  and name N)
       (resid  250  and name CA) (resid  250  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     v 251 , J=  9.85606
!
assign (resid  250  and name C)  (resid  251  and name N)
       (resid  251  and name CA) (resid  251  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     a 253 , J=  8.32704
!
assign (resid  252  and name C)  (resid  253  and name N)
       (resid  253  and name CA) (resid  253  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE     r 255 , J=  5.98807
!
!residue  255  not included (averaging?)
!
! RESIDUE     a 256 , J=  10.1132
!
assign (resid  255  and name C)  (resid  256  and name N)
       (resid  256  and name CA) (resid  256  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     e 258 , J=  8.24499
!
assign (resid  257  and name C)  (resid  258  and name N)
       (resid  258  and name CA) (resid  258  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE     w 259 , J=  10.3911
!
assign (resid  258  and name C)  (resid  259  and name N)
       (resid  259  and name CA) (resid  259  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     d 261 , J=  9.19614
!
assign (resid  260  and name C)  (resid  261  and name N)
       (resid  261  and name CA) (resid  261  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     f 263 , J=  7.68504
!
assign (resid  262  and name C)  (resid  263  and name N)
       (resid  263  and name CA) (resid  263  and name C)  1.0 -120.0 60.0 2
!
! RESIDUE     n 264 , J=  9.29819
!
assign (resid  263  and name C)  (resid  264  and name N)
       (resid  264  and name CA) (resid  264  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     t 266 , J=  10.5556
!
assign (resid  265  and name C)  (resid  266  and name N)
       (resid  266  and name CA) (resid  266  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     y 267 , J=  10.3098
!
assign (resid  266  and name C)  (resid  267  and name N)
       (resid  267  and name CA) (resid  267  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     s 268 , J=  10.5153
!
assign (resid  267  and name C)  (resid  268  and name N)
       (resid  268  and name CA) (resid  268  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     v 269 , J=  8.83689
!
assign (resid  268  and name C)  (resid  269  and name N)
       (resid  269  and name CA) (resid  269  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE     s 270 , J=  9.90783
!
assign (resid  269  and name C)  (resid  270  and name N)
       (resid  270  and name CA) (resid  270  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     a 274 , J=  9.66204
!
assign (resid  273  and name C)  (resid  274  and name N)
       (resid  274  and name CA) (resid  274  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     w 275 , J=  8.29659
!
assign (resid  274  and name C)  (resid  275  and name N)
       (resid  275  and name CA) (resid  275  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE     t 276 , J=  9.75026
!
assign (resid  275  and name C)  (resid  276  and name N)
       (resid  276  and name CA) (resid  276  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     v 277 , J=  9.95814
!
assign (resid  276  and name C)  (resid  277  and name N)
       (resid  277  and name CA) (resid  277  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     n 278 , J=  10.4758
!
assign (resid  277  and name C)  (resid  278  and name N)
       (resid  278  and name CA) (resid  278  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     l 279 , J=  10.3049
!
assign (resid  278  and name C)  (resid  279  and name N)
       (resid  279  and name CA) (resid  279  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     a 280 , J=  9.53692
!
assign (resid  279  and name C)  (resid  280  and name N)
       (resid  280  and name CA) (resid  280  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     l 281 , J=  7.46576
!
assign (resid  280  and name C)  (resid  281  and name N)
       (resid  281  and name CA) (resid  281  and name C)  1.0 -120.0 60.0 2
!
! RESIDUE     n 282 , J=  9.40987
!
assign (resid  281  and name C)  (resid  282  and name N)
       (resid  282  and name CA) (resid  282  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     s 284 , J=  9.81298
!
assign (resid  283  and name C)  (resid  284  and name N)
       (resid  284  and name CA) (resid  284  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     q 285 , J=  3.1265
!
assign (resid  284  and name C)  (resid  285  and name N)
       (resid  285  and name CA) (resid  285  and name C)  1.0 -55.0 35.0 2
!
! RESIDUE     t 286 , J=  8.95684
!
assign (resid  285  and name C)  (resid  286  and name N)
       (resid  286  and name CA) (resid  286  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE     q 288 , J=  8.13875
!
assign (resid  287  and name C)  (resid  288  and name N)
       (resid  288  and name CA) (resid  288  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE     a 289 , J=  7.08301
!
assign (resid  288  and name C)  (resid  289  and name N)
       (resid  289  and name CA) (resid  289  and name C)  1.0 -120.0 60.0 2
!
! RESIDUE     s 290 , J=  8.01297
!
assign (resid  289  and name C)  (resid  290  and name N)
       (resid  290  and name CA) (resid  290  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE     w 291 , J=  8.66724
!
assign (resid  290  and name C)  (resid  291  and name N)
       (resid  291  and name CA) (resid  291  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE     n 292 , J=  7.20071
!
!POSITIVE PHI ANGLE!

assign (resid  291  and name C)  (resid  292  and name N)
       (resid  292  and name CA) (resid  292  and name C)  1.0 60.0 60.0 2
!
! RESIDUE     n 294 , J=  9.64394
!
assign (resid  293  and name C)  (resid  294  and name N)
       (resid  294  and name CA) (resid  294  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     v 295 , J=  9.99516
!
assign (resid  294  and name C)  (resid  295  and name N)
       (resid  295  and name CA) (resid  295  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     s 298 , J=  8.86279
!
assign (resid  297  and name C)  (resid  298  and name N)
       (resid  298  and name CA) (resid  298  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE     t 301 , J=  9.31959
!
assign (resid  300  and name C)  (resid  301  and name N)
       (resid  301  and name CA) (resid  301  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     r 302 , J=  9.37125
!
assign (resid  301  and name C)  (resid  302  and name N)
       (resid  302  and name CA) (resid  302  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     v 304 , J=  10.331
!
assign (resid  303  and name C)  (resid  304  and name N)
       (resid  304  and name CA) (resid  304  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     t 305 , J=  9.23342
!
assign (resid  304  and name C)  (resid  305  and name N)
       (resid  305  and name CA) (resid  305  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     n 307 , J=  10.2322
!
assign (resid  306  and name C)  (resid  307  and name N)
       (resid  307  and name CA) (resid  307  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     g 308 , MANUAL CONSTRAINT
!
assign (resid  307  and name C)  (resid  308  and name N)
       (resid  308  and name CA) (resid  308  and name C)  1.0 60.0 60.0 2
!
! RESIDUE     s 309 , J=  9.18526
!
assign (resid  308  and name C)  (resid  309  and name N)
       (resid  309  and name CA) (resid  309  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     g 310 , MANUAL CONSTRAINT
!
assign (resid  309  and name C)  (resid  310  and name N)
       (resid  310  and name CA) (resid  310  and name C)  1.0 -180.0 120.0 2
!
! RESIDUE     n 311 , J=  8.94041
!
assign (resid  310  and name C)  (resid  311  and name N)
       (resid  311  and name CA) (resid  311  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE     t 312 , J=  10.3194
!
assign (resid  311  and name C)  (resid  312  and name N)
       (resid  312  and name CA) (resid  312  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     g 314 , MANUAL CONSTRAINT
!
assign (resid  313  and name C)  (resid  314  and name N)
       (resid  314  and name CA) (resid  314  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE     v 315 , J=  9.20745
!
assign (resid  314  and name C)  (resid  315  and name N)
       (resid  315  and name CA) (resid  315  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     t 316 , J=  10.7782
!
assign (resid  315  and name C)  (resid  316  and name N)
       (resid  316  and name CA) (resid  316  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     v 317 , J=  9.71963
!
assign (resid  316  and name C)  (resid  317  and name N)
       (resid  317  and name CA) (resid  317  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     m 318 , J=  8.81615
!
assign (resid  317  and name C)  (resid  318  and name N)
       (resid  318  and name CA) (resid  318  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE     k 319 , J=  3.97355
!
assign (resid  318  and name C)  (resid  319  and name N)
       (resid  319  and name CA) (resid  319  and name C)  1.0 -55.0 35.0 2
!
! RESIDUE     n 320 , J=  6.71343
!
!POSITIVE PHI ANGLE!

assign (resid  319  and name C)  (resid  320  and name N)
       (resid  320  and name CA) (resid  320  and name C)  1.0 60.0 60.0 2

!
! RESIDUE     g 321 , MANUAL CONSTRAINT
!
assign (resid  320  and name C)  (resid  321  and name N)
       (resid  321  and name CA) (resid  321  and name C)  1.0 60.0 60.0 2
!
! RESIDUE     s 322 , J=  9.95454
!
assign (resid  321  and name C)  (resid  322  and name N)
       (resid  322  and name CA) (resid  322  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     s 323 , J=  6.91934
!
!residue  323  not included (averaging?)
!
! RESIDUE     t 325 , J=  2.87215
!
assign (resid  324  and name C)  (resid  325  and name N)
       (resid  325  and name CA) (resid  325  and name C)  1.0 -55.0 35.0 2
!
! RESIDUE     a 327 , J=  6.40207
!
!residue  327  not included (averaging?)
!
! RESIDUE     a 328 , J=  9.47504
!
assign (resid  327  and name C)  (resid  328  and name N)
       (resid  328  and name CA) (resid  328  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     t 329 , J=  9.98202
!
assign (resid  328  and name C)  (resid  329  and name N)
       (resid  329  and name CA) (resid  329  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     c 330 , J=  9.14034
!
assign (resid  329  and name C)  (resid  330  and name N)
       (resid  330  and name CA) (resid  330  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     a 331 , J=  8.6369
!
assign (resid  330  and name C)  (resid  331  and name N)
       (resid  331  and name CA) (resid  331  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE     s 333 , J=  8.69409
!
assign (resid  332  and name C)  (resid  333  and name N)
       (resid  333  and name CA) (resid  333  and name C)  1.0 -120.0 50.0 2
!

!Chi1s added manually below 05mar98
!
!VALINES
assign (resid  251  and name N)  (resid  251  and name CA)
       (resid  251  and name CB) (resid  251  and name CG1)  1.0 180.0 30.0 2  !VAL
assign (resid  265  and name N)  (resid  265  and name CA)
       (resid  265  and name CB) (resid  265  and name CG1)  1.0 180.0 30.0 2  !VAL
assign (resid  269  and name N)  (resid  269  and name CA)
       (resid  269  and name CB) (resid  269  and name CG1)  1.0 180.0 30.0 2  !VAL
assign (resid  277  and name N)  (resid  277  and name CA)
       (resid  277  and name CB) (resid  277  and name CG1)  1.0 180.0 30.0 2  !VAL
assign (resid  295  and name N)  (resid  295  and name CA)
       (resid  295  and name CB) (resid  295  and name CG1)  1.0 180.0 30.0 2  !VAL
assign (resid  304  and name N)  (resid  304  and name CA)
       (resid  304  and name CB) (resid  304  and name CG1)  1.0 180.0 30.0 2  !VAL
assign (resid  315  and name N)  (resid  315  and name CA)
       (resid  315  and name CB) (resid  315  and name CG1)  1.0 -60.0 30.0 2  !VAL
assign (resid  317  and name N)  (resid  317  and name CA)
       (resid  317  and name CB) (resid  317  and name CG1)  1.0 180.0 30.0 2  !VAL
!
!THREONINES
assign (resid  252  and name N)  (resid  252  and name CA)
       (resid  252  and name CB) (resid  252  and name OG1)  1.0 00.0 90.0 2  !THR
assign (resid  254  and name N)  (resid  254  and name CA)
       (resid  254  and name CB) (resid  254  and name OG1)  1.0 00.0 90.0 2  !THR
assign (resid  266  and name N)  (resid  266  and name CA)
       (resid  266  and name CB) (resid  266  and name OG1)  1.0 -60.0 30.0 2  !THR
assign (resid  276  and name N)  (resid  276  and name CA)
       (resid  276  and name CB) (resid  276  and name OG1)  1.0 -60.0 30.0 2  !THR
assign (resid  286  and name N)  (resid  286  and name CA)
       (resid  286  and name CB) (resid  286  and name OG1)  1.0 60.0 30.0 2  !THR
assign (resid  296  and name N)  (resid  296  and name CA)
       (resid  296  and name CB) (resid  296  and name OG1)  1.0 60.0 30.0 2  !THR
assign (resid  301  and name N)  (resid  301  and name CA)
       (resid  301  and name CB) (resid  301  and name OG1)  1.0 60.0 30.0 2  !THR
assign (resid  303  and name N)  (resid  303  and name CA)
       (resid  303  and name CB) (resid  303  and name OG1)  1.0 -60.0 30.0 2  !THR
assign (resid  305  and name N)  (resid  305  and name CA)
       (resid  305  and name CB) (resid  305  and name OG1)  1.0 60.0 30.0 2  !THR
assign (resid  312  and name N)  (resid  312  and name CA)
       (resid  312  and name CB) (resid  312  and name OG1)  1.0 -60.0 30.0 2  !THR
assign (resid  316  and name N)  (resid  316  and name CA)
       (resid  316  and name CB) (resid  316  and name OG1)  1.0 -60.0 30.0 2  !THR
assign (resid  324  and name N)  (resid  324  and name CA)
       (resid  324  and name CB) (resid  324  and name OG1)  1.0 -60.0 30.0 2  !THR
assign (resid  325  and name N)  (resid  325  and name CA)
       (resid  325  and name CB) (resid  325  and name OG1)  1.0 60.0 30.0 2  !THR
assign (resid  329  and name N)  (resid  329  and name CA)
       (resid  329  and name CB) (resid  329  and name OG1)  1.0 60.0 30.0 2  !THR
!
!ISOLEUCINE
assign (resid  287  and name N)  (resid  287  and name CA)
       (resid  287  and name CB) (resid  287  and name CG1)  1.0 -60.0 30.0 2 !ILE
!
!AMX
assign (resid  249  and name N)  (resid  249  and name CA)
       (resid  249  and name CB) (resid  249  and name SG)  1.0 60.0 30.0 2  !CYS
assign (resid  259  and name N)  (resid  259  and name CA)
       (resid  259  and name CB) (resid  259  and name CG)  1.0 -60.0 30.0 2  !TRP
assign (resid  260  and name N)  (resid  260  and name CA)
       (resid  260  and name CB) (resid  260  and name OG)  1.0 00.0 90.0 2  !SER
assign (resid  261  and name N)  (resid  261  and name CA)
       (resid  261  and name CB) (resid  261  and name CG)  1.0 60.0 30.0 2  !ASP
assign (resid  263  and name N)  (resid  263  and name CA)
       (resid  263  and name CB) (resid  263  and name CG)  1.0 60.0 30.0 2  !PHE
assign (resid  264  and name N)  (resid  264  and name CA)
       (resid  264  and name CB) (resid  264  and name CG)  1.0 -60.0 30.0 2  !ASN
assign (resid  267  and name N)  (resid  267  and name CA)
       (resid  267  and name CB) (resid  267  and name CG)  1.0 -60.0 30.0 2  !TYR
assign (resid  275  and name N)  (resid  275  and name CA)
       (resid  275  and name CB) (resid  275  and name CG)  1.0 60.0 30.0 2  !TRP
assign (resid  278  and name N)  (resid  278  and name CA)
       (resid  278  and name CB) (resid  278  and name CG)  1.0 -120.0 90.0 2  !ASN
assign (resid  284  and name N)  (resid  284  and name CA)
       (resid  284  and name CB) (resid  284  and name OG)  1.0 00.0 90.0 2  !SER
assign (resid  291  and name N)  (resid  291  and name CA)
       (resid  291  and name CB) (resid  291  and name CG)  1.0 60.0 30.0 2  !TRP
assign (resid  294  and name N)  (resid  294  and name CA)
       (resid  294  and name CB) (resid  294  and name CG)  1.0 -60.0 30.0 2  !ASN
assign (resid  307  and name N)  (resid  307  and name CA)
       (resid  307  and name CB) (resid  307  and name CG)  1.0 60.0 30.0 2  !ASN
assign (resid  311  and name N)  (resid  311  and name CA)
       (resid  311  and name CB) (resid  311  and name CG)  1.0 -60.0 30.0 2  !ASN
assign (resid  313  and name N)  (resid  313  and name CA)
       (resid  313  and name CB) (resid  313  and name CG)  1.0 60.0 30.0 2  !PHE
assign (resid  320  and name N)  (resid  320  and name CA)
       (resid  320  and name CB) (resid  320  and name CG)  1.0 -60.0 30.0 2  !ASN
!assign (resid  330  and name N)  (resid  330  and name CA)
!      (resid  330  and name CB) (resid  330  and name SG)  1.0 180.0 30.0 2  !CYS
!
!OTHERS
assign (resid  255  and name N)  (resid  255  and name CA)
       (resid  255  and name CB) (resid  255  and name CG)  1.0 -60.0 30.0 2 !ARG
assign (resid  257  and name N)  (resid  257  and name CA)
       (resid  257  and name CB) (resid  257  and name CG)  1.0 -60.0 30.0 2  !GLU
assign (resid  262  and name N)  (resid  262  and name CA)
       (resid  262  and name CB) (resid  262  and name CG)  1.0 60.0 30.0 2  !ARG
assign (resid  279  and name N)  (resid  279  and name CA)
       (resid  279  and name CB) (resid  279  and name CG)  1.0 -60.0 30.0 2  !LEU
assign (resid  281  and name N)  (resid  281  and name CA)
       (resid  281  and name CB) (resid  281  and name CG)  1.0 -60.0 30.0 2  !LEU
assign (resid  285  and name N)  (resid  285  and name CA)
       (resid  285  and name CB) (resid  285  and name CG)  1.0 -60.0 30.0 2  !GLN
assign (resid  288  and name N)  (resid  288  and name CA)
       (resid  288  and name CB) (resid  288  and name CG)  1.0 -120.0 90.0 2  !GLN
assign (resid  302  and name N)  (resid  302  and name CA)
       (resid  302  and name CB) (resid  302  and name CG)  1.0 -60.0 30.0 2  !ARG
assign (resid  318  and name N)  (resid  318  and name CA)
       (resid  318  and name CB) (resid  318  and name CG)  1.0 -60.0 30.0 2  !MET
assign (resid  319  and name N)  (resid  319  and name CA)
       (resid  319  and name CB) (resid  319  and name CG)  1.0 -60.0 30.0 2  !LYS

! Chi2s added manually below
!
assign (resid 279 and name ca) (resid 279 and name cb)
       (resid 279 and name cg) (resid 279 and name cd1) 1.0 180.0 40.0 2

end

  Entry H atom name         Submitted Coord H atom name
    1   1H    THR 247           HT2      THR 247  -2.351  -9.184  -9.184
    2   2H    THR 247           HT1      THR 247  -2.844 -10.583 -10.583
    3   3H    THR 247           HT3      THR 247  -3.474 -10.245 -10.245
    4    HA   THR 247           HA       THR 247  -1.916 -11.769 -11.769
    5    HB   THR 247           HB       THR 247  -0.199 -10.664 -10.664
    6    HG1  THR 247           HG1      THR 247  -2.055 -12.719 -12.719
    7   1HG2  THR 247          HG21      THR 247   0.424 -12.299 -12.299
    8   2HG2  THR 247          HG23      THR 247   0.612 -13.248 -13.248
    9   3HG2  THR 247          HG22      THR 247   1.499 -11.736 -11.736
   10    H    GLY 248           HN       GLY 248  -2.248  -8.768  -8.768
   11   1HA   GLY 248           HA2      GLY 248   0.276  -8.504  -8.504
   12   2HA   GLY 248           HA1      GLY 248  -0.305  -7.137  -7.137
   13    H    CYS 249           HN       CYS 249  -0.012  -7.517  -7.517
   14    HA   CYS 249           HA       CYS 249  -2.868  -7.094  -7.094
   15   1HB   CYS 249           HB2      CYS 249  -2.028  -7.525  -7.525
   16   2HB   CYS 249           HB1      CYS 249  -1.855  -8.904  -8.904
   17    H    SER 250           HN       SER 250  -3.065  -5.462  -5.462
   18    HA   SER 250           HA       SER 250  -1.019  -3.330  -3.330
   19   1HB   SER 250           HB2      SER 250  -3.512  -1.998  -1.998
   20   2HB   SER 250           HB1      SER 250  -2.147  -1.984  -1.984
   21    HG   SER 250           HG       SER 250  -4.194  -2.797  -2.797
   22    H    VAL 251           HN       VAL 251  -1.841  -1.479  -1.479
   23    HA   VAL 251           HA       VAL 251  -3.361  -2.686  -2.686
   24    HB   VAL 251           HB       VAL 251  -1.091  -0.848  -0.848
   25   1HG1  VAL 251          HG13      VAL 251  -2.860  -2.565  -2.565
   26   2HG1  VAL 251          HG12      VAL 251  -1.250  -3.268  -3.268
   27   3HG1  VAL 251          HG11      VAL 251  -1.540  -1.610  -1.610
   28   1HG2  VAL 251          HG21      VAL 251  -0.164  -2.444  -2.444
   29   2HG2  VAL 251          HG23      VAL 251   0.530  -2.683  -2.683
   30   3HG2  VAL 251          HG22      VAL 251  -0.713  -3.784  -3.784
   31    H    THR 252           HN       THR 252  -5.115  -1.410  -1.410
   32    HA   THR 252           HA       THR 252  -4.957   1.463   1.463
   33    HB   THR 252           HB       THR 252  -7.540   1.115   1.115
   34    HG1  THR 252           HG1      THR 252  -8.033  -1.031  -1.031
   35   1HG2  THR 252          HG21      THR 252  -6.041   0.678   0.678
   36   2HG2  THR 252          HG23      THR 252  -7.760   0.287   0.287
   37   3HG2  THR 252          HG22      THR 252  -7.222   1.923   1.923
   38    H    ALA 253           HN       ALA 253  -4.381   2.810   2.810
   39    HA   ALA 253           HA       ALA 253  -5.159   2.059   2.059
   40   1HB   ALA 253           HB1      ALA 253  -2.694   2.448   2.448
   41   2HB   ALA 253           HB3      ALA 253  -3.122   4.153   4.153
   42   3HB   ALA 253           HB2      ALA 253  -3.301   3.323   3.323
   43    H    THR 254           HN       THR 254  -6.671   3.304   3.304
   44    HA   THR 254           HA       THR 254  -7.228   6.008   6.008
   45    HB   THR 254           HB       THR 254  -9.508   4.744   4.744
   46    HG1  THR 254           HG1      THR 254  -9.764   3.424   3.424
   47   1HG2  THR 254          HG22      THR 254  -8.909   6.583   6.583
   48   2HG2  THR 254          HG21      THR 254  -9.958   5.316   5.316
   49   3HG2  THR 254          HG23      THR 254 -10.465   6.261   6.261
   50    H    ARG 255           HN       ARG 255  -8.187   7.521   7.521
   51    HA   ARG 255           HA       ARG 255  -7.063   6.996   6.996
   52   1HB   ARG 255           HB2      ARG 255  -7.835   9.516   9.516
   53   2HB   ARG 255           HB1      ARG 255  -7.526   9.516   9.516
   54   1HG   ARG 255           HG2      ARG 255  -5.423   8.063   8.063
   55   2HG   ARG 255           HG1      ARG 255  -5.617   9.616   9.616
   56   1HD   ARG 255           HD2      ARG 255  -5.321   9.245   9.245
   57   2HD   ARG 255           HD1      ARG 255  -4.036   9.769   9.769
   58    HE   ARG 255           HE       ARG 255  -6.505  11.354  11.354
   59   1HH1  ARG 255          HH11      ARG 255  -3.266  11.483  11.483
   60   2HH1  ARG 255          HH12      ARG 255  -2.980  12.965  12.965
   61   1HH2  ARG 255          HH21      ARG 255  -6.146  13.074  13.074
   62   2HH2  ARG 255          HH22      ARG 255  -4.611  13.866  13.866
   63    H    ALA 256           HN       ALA 256  -8.478   6.386   6.386
   64    HA   ALA 256           HA       ALA 256 -11.374   6.803   6.803
   65   1HB   ALA 256           HB3      ALA 256  -9.737   5.132   5.132
   66   2HB   ALA 256           HB2      ALA 256 -11.444   5.436   5.436
   67   3HB   ALA 256           HB1      ALA 256 -10.960   4.610   4.610
   68    H    GLU 257           HN       GLU 257  -9.639   6.877   6.877
   69    HA   GLU 257           HA       GLU 257 -11.042   9.441   9.441
   70   1HB   GLU 257           HB2      GLU 257  -9.680   7.502   7.502
   71   2HB   GLU 257           HB1      GLU 257 -10.641   8.908   8.908
   72   1HG   GLU 257           HG2      GLU 257 -12.480   7.747   7.747
   73   2HG   GLU 257           HG1      GLU 257 -11.542   6.295   6.295
   74    H    GLU 258           HN       GLU 258  -9.854  11.250  11.250
   75    HA   GLU 258           HA       GLU 258  -6.878  10.979  10.979
   76   1HB   GLU 258           HB2      GLU 258  -7.112  13.490  13.490
   77   2HB   GLU 258           HB1      GLU 258  -7.299  12.170  12.170
   78   1HG   GLU 258           HG2      GLU 258  -9.761  12.238  12.238
   79   2HG   GLU 258           HG1      GLU 258  -9.543  13.618  13.618
   80    H    TRP 259           HN       TRP 259  -5.875  11.679  11.679
   81    HA   TRP 259           HA       TRP 259  -7.458  13.385  13.385
   82   1HB   TRP 259           HB2      TRP 259  -5.293  11.326  11.326
   83   2HB   TRP 259           HB1      TRP 259  -5.741  12.494  12.494
   84    HD1  TRP 259           HD1      TRP 259  -8.248  12.377  12.377
   85    HE1  TRP 259           HE1      TRP 259  -9.928  10.424  10.424
   86    HE3  TRP 259           HE3      TRP 259  -6.125   9.197   9.197
   87    HZ2  TRP 259           HZ2      TRP 259 -10.320   7.853   7.853
   88    HZ3  TRP 259           HZ3      TRP 259  -7.171   7.005   7.005
   89    HH2  TRP 259           HH2      TRP 259  -9.264   6.330   6.330
   90    H    SER 260           HN       SER 260  -5.498  14.391  14.391
   91    HA   SER 260           HA       SER 260  -3.998  16.129  16.129
   92   1HB   SER 260           HB2      SER 260  -4.415  16.536  16.536
   93   2HB   SER 260           HB1      SER 260  -3.855  17.725  17.725
   94    HG   SER 260           HG       SER 260  -5.934  18.174  18.174
   95    H    ASP 261           HN       ASP 261  -3.443  13.346  13.346
   96    HA   ASP 261           HA       ASP 261  -0.552  14.012  14.012
   97   1HB   ASP 261           HB2      ASP 261  -0.565  12.391  12.391
   98   2HB   ASP 261           HB1      ASP 261  -1.392  13.922  13.922
   99    H    ARG 262           HN       ARG 262  -2.665  12.339  12.339
  100    HA   ARG 262           HA       ARG 262  -0.797  10.557  10.557
  101   1HB   ARG 262           HB2      ARG 262  -1.769   8.377   8.377
  102   2HB   ARG 262           HB1      ARG 262  -0.746   9.282   9.282
  103   1HG   ARG 262           HG2      ARG 262  -2.751  10.282  10.282
  104   2HG   ARG 262           HG1      ARG 262  -3.776   9.374   9.374
  105   1HD   ARG 262           HD2      ARG 262  -2.923   7.258   7.258
  106   2HD   ARG 262           HD1      ARG 262  -1.842   8.138   8.138
  107    HE   ARG 262           HE       ARG 262  -4.422   9.098   9.098
  108   1HH1  ARG 262          HH11      ARG 262  -2.781   7.842   7.842
  109   2HH1  ARG 262          HH12      ARG 262  -3.671   6.405   6.405
  110   1HH2  ARG 262          HH21      ARG 262  -5.557   6.489   6.489
  111   2HH2  ARG 262          HH22      ARG 262  -5.242   5.639   5.639
  112    H    PHE 263           HN       PHE 263  -1.977   8.841   8.841
  113    HA   PHE 263           HA       PHE 263  -4.806   9.557   9.557
  114   1HB   PHE 263           HB2      PHE 263  -4.347   9.801   9.801
  115   2HB   PHE 263           HB1      PHE 263  -3.483  11.018  11.018
  116    HD1  PHE 263           HD2      PHE 263  -1.056  10.876  10.876
  117    HD2  PHE 263           HD1      PHE 263  -3.162   7.969   7.969
  118    HE1  PHE 263           HE2      PHE 263   1.097  10.072  10.072
  119    HE2  PHE 263           HE1      PHE 263  -1.009   7.166   7.166
  120    HZ   PHE 263           HZ       PHE 263   1.120   8.217   8.217
  121    H    ASN 264           HN       ASN 264  -5.981   7.757   7.757
  122    HA   ASN 264           HA       ASN 264  -4.613   5.171   5.171
  123   1HB   ASN 264           HB2      ASN 264  -7.474   6.086   6.086
  124   2HB   ASN 264           HB1      ASN 264  -7.086   4.422   4.422
  125   1HD2  ASN 264          HD21      ASN 264  -8.568   4.519   4.519
  126   2HD2  ASN 264          HD22      ASN 264  -7.633   4.324   4.324
  127    H    VAL 265           HN       VAL 265  -4.766   3.636   3.636
  128    HA   VAL 265           HA       VAL 265  -5.397   4.864   4.864
  129    HB   VAL 265           HB       VAL 265  -3.021   3.046   3.046
  130   1HG1  VAL 265          HG13      VAL 265  -4.009   4.931   4.931
  131   2HG1  VAL 265          HG12      VAL 265  -2.325   4.409   4.409
  132   3HG1  VAL 265          HG11      VAL 265  -3.611   3.219   3.219
  133   1HG2  VAL 265          HG23      VAL 265  -3.210   6.050   6.050
  134   2HG2  VAL 265          HG22      VAL 265  -2.502   4.888   4.888
  135   3HG2  VAL 265          HG21      VAL 265  -1.696   5.243   5.243
  136    H    THR 266           HN       THR 266  -5.952   3.274   3.274
  137    HA   THR 266           HA       THR 266  -6.647   0.592   0.592
  138    HB   THR 266           HB       THR 266  -8.307   1.962   1.962
  139    HG1  THR 266           HG1      THR 266  -9.031   2.004   2.004
  140   1HG2  THR 266          HG22      THR 266  -8.312  -0.582  -0.582
  141   2HG2  THR 266          HG21      THR 266  -9.562   0.244   0.244
  142   3HG2  THR 266          HG23      THR 266  -9.671   0.177   0.177
  143    H    TYR 267           HN       TYR 267  -4.835  -0.418  -0.418
  144    HA   TYR 267           HA       TYR 267  -4.442  -0.105  -0.105
  145   1HB   TYR 267           HB2      TYR 267  -2.918  -1.505  -1.505
  146   2HB   TYR 267           HB1      TYR 267  -2.551  -1.801  -1.801
  147    HD1  TYR 267           HD2      TYR 267  -2.541   0.701   0.701
  148    HD2  TYR 267           HD1      TYR 267  -1.592  -0.060  -0.060
  149    HE1  TYR 267           HE2      TYR 267  -1.211   2.793   2.793
  150    HE2  TYR 267           HE1      TYR 267  -0.261   2.032   2.032
  151    HH   TYR 267           HH       TYR 267   1.012   3.472   3.472
  152    H    SER 268           HN       SER 268  -5.045  -1.657  -1.657
  153    HA   SER 268           HA       SER 268  -5.846  -4.341  -4.341
  154   1HB   SER 268           HB2      SER 268  -8.032  -4.224  -4.224
  155   2HB   SER 268           HB1      SER 268  -7.899  -2.930  -2.930
  156    HG   SER 268           HG       SER 268  -8.659  -2.032  -2.032
  157    H    VAL 269           HN       VAL 269  -6.188  -5.841  -5.841
  158    HA   VAL 269           HA       VAL 269  -5.080  -4.888  -4.888
  159    HB   VAL 269           HB       VAL 269  -3.905  -7.184  -7.184
  160   1HG1  VAL 269          HG12      VAL 269  -4.102  -6.849  -6.849
  161   2HG1  VAL 269          HG11      VAL 269  -2.445  -6.419  -6.419
  162   3HG1  VAL 269          HG13      VAL 269  -3.086  -8.002  -8.002
  163   1HG2  VAL 269          HG21      VAL 269  -2.810  -4.494  -4.494
  164   2HG2  VAL 269          HG23      VAL 269  -3.096  -5.028  -5.028
  165   3HG2  VAL 269          HG22      VAL 269  -1.826  -5.783  -5.783
  166    H    SER 270           HN       SER 270  -5.791  -6.148  -6.148
  167    HA   SER 270           HA       SER 270  -7.741  -8.307  -8.307
  168   1HB   SER 270           HB2      SER 270  -8.217  -7.266  -7.266
  169   2HB   SER 270           HB1      SER 270  -9.277  -7.211  -7.211
  170    HG   SER 270           HG       SER 270  -8.891  -5.126  -5.126
  171    H    GLY 271           HN       GLY 271  -8.135  -9.518  -9.518
  172   1HA   GLY 271           HA2      GLY 271  -7.101 -10.706 -10.706
  173   2HA   GLY 271           HA1      GLY 271  -5.549 -10.005 -10.005
  174    H    SER 272           HN       SER 272  -5.570 -10.718 -10.718
  175    HA   SER 272           HA       SER 272  -6.141 -13.494 -13.494
  176   1HB   SER 272           HB2      SER 272  -3.422 -12.782 -12.782
  177   2HB   SER 272           HB1      SER 272  -3.599 -14.124 -14.124
  178    HG   SER 272           HG       SER 272  -3.816 -14.546 -14.546
  179    H    SER 273           HN       SER 273  -4.877 -14.280 -14.280
  180    HA   SER 273           HA       SER 273  -4.628 -11.951 -11.951
  181   1HB   SER 273           HB2      SER 273  -5.391 -13.318 -13.318
  182   2HB   SER 273           HB1      SER 273  -6.153 -14.125 -14.125
  183    HG   SER 273           HG       SER 273  -5.048 -15.644 -15.644
  184    H    ALA 274           HN       ALA 274  -2.809 -14.495 -14.495
  185    HA   ALA 274           HA       ALA 274  -0.608 -14.401 -14.401
  186   1HB   ALA 274           HB1      ALA 274  -1.293 -16.343 -16.343
  187   2HB   ALA 274           HB3      ALA 274  -0.333 -15.444 -15.444
  188   3HB   ALA 274           HB2      ALA 274   0.417 -16.037 -16.037
  189    H    TRP 275           HN       TRP 275  -0.453 -11.979 -11.979
  190    HA   TRP 275           HA       TRP 275   1.281 -11.193 -11.193
  191   1HB   TRP 275           HB2      TRP 275   0.271  -8.854  -8.854
  192   2HB   TRP 275           HB1      TRP 275  -0.762 -10.047 -10.047
  193    HD1  TRP 275           HD1      TRP 275  -3.026 -10.497 -10.497
  194    HE1  TRP 275           HE1      TRP 275  -4.113  -9.929  -9.929
  195    HE3  TRP 275           HE3      TRP 275   0.982  -8.447  -8.447
  196    HZ2  TRP 275           HZ2      TRP 275  -3.380  -8.762  -8.762
  197    HZ3  TRP 275           HZ3      TRP 275   0.759  -7.618  -7.618
  198    HH2  TRP 275           HH2      TRP 275  -1.415  -7.772  -7.772
  199    H    THR 276           HN       THR 276   2.578  -9.143  -9.143
  200    HA   THR 276           HA       THR 276   3.388  -9.319  -9.319
  201    HB   THR 276           HB       THR 276   5.270  -8.586  -8.586
  202    HG1  THR 276           HG1      THR 276   5.232 -11.140 -11.140
  203   1HG2  THR 276          HG21      THR 276   5.400  -8.903  -8.903
  204   2HG2  THR 276          HG23      THR 276   6.584  -9.921  -9.921
  205   3HG2  THR 276          HG22      THR 276   6.575  -8.179  -8.179
  206    H    VAL 277           HN       VAL 277   2.340  -7.482  -7.482
  207    HA   VAL 277           HA       VAL 277   2.335  -4.999  -4.999
  208    HB   VAL 277           HB       VAL 277   1.407  -5.729  -5.729
  209   1HG1  VAL 277          HG12      VAL 277   2.123  -3.133  -3.133
  210   2HG1  VAL 277          HG11      VAL 277   0.377  -3.204  -3.204
  211   3HG1  VAL 277          HG13      VAL 277   1.466  -3.549  -3.549
  212   1HG2  VAL 277          HG22      VAL 277   0.227  -6.234  -6.234
  213   2HG2  VAL 277          HG21      VAL 277  -0.703  -5.811  -5.811
  214   3HG2  VAL 277          HG23      VAL 277  -0.336  -4.579  -4.579
  215    H    ASN 278           HN       ASN 278   3.804  -3.365  -3.365
  216    HA   ASN 278           HA       ASN 278   5.780  -3.502  -3.502
  217   1HB   ASN 278           HB2      ASN 278   6.177  -3.354  -3.354
  218   2HB   ASN 278           HB1      ASN 278   7.140  -2.207  -2.207
  219   1HD2  ASN 278          HD21      ASN 278   8.781  -3.963  -3.963
  220   2HD2  ASN 278          HD22      ASN 278   9.225  -5.222  -5.222
  221    H    LEU 279           HN       LEU 279   5.428  -1.761  -1.761
  222    HA   LEU 279           HA       LEU 279   4.199   0.674   0.674
  223   1HB   LEU 279           HB2      LEU 279   4.988   0.029   0.029
  224   2HB   LEU 279           HB1      LEU 279   4.018   1.407   1.407
  225    HG   LEU 279           HG       LEU 279   3.292  -1.526  -1.526
  226   1HD1  LEU 279          HD11      LEU 279   2.872   0.355   0.355
  227   2HD1  LEU 279          HD13      LEU 279   1.398   0.501   0.501
  228   3HD1  LEU 279          HD12      LEU 279   1.848  -1.057  -1.057
  229   1HD2  LEU 279          HD22      LEU 279   2.081   0.865   0.865
  230   2HD2  LEU 279          HD21      LEU 279   2.588  -0.668  -0.668
  231   3HD2  LEU 279          HD23      LEU 279   1.156  -0.603  -0.603
  232    H    ALA 280           HN       ALA 280   5.238   2.698   2.698
  233    HA   ALA 280           HA       ALA 280   8.116   2.723   2.723
  234   1HB   ALA 280           HB2      ALA 280   6.893   3.462   3.462
  235   2HB   ALA 280           HB1      ALA 280   8.395   4.215   4.215
  236   3HB   ALA 280           HB3      ALA 280   8.313   2.467   2.467
  237    H    LEU 281           HN       LEU 281   7.088   3.869   3.869
  238    HA   LEU 281           HA       LEU 281   5.676   6.324   6.324
  239   1HB   LEU 281           HB2      LEU 281   7.400   5.125   5.125
  240   2HB   LEU 281           HB1      LEU 281   6.787   6.771   6.771
  241    HG   LEU 281           HG       LEU 281   5.030   4.378   4.378
  242   1HD1  LEU 281          HD13      LEU 281   6.302   5.082   5.082
  243   2HD1  LEU 281          HD12      LEU 281   4.603   5.530   5.530
  244   3HD1  LEU 281          HD11      LEU 281   5.045   3.871   3.871
  245   1HD2  LEU 281          HD21      LEU 281   4.581   7.102   7.102
  246   2HD2  LEU 281          HD23      LEU 281   3.329   5.870   5.870
  247   3HD2  LEU 281          HD22      LEU 281   3.887   6.755   6.755
  248    H    ASN 282           HN       ASN 282   6.654   8.502   8.502
  249    HA   ASN 282           HA       ASN 282   9.358   8.812   8.812
  250   1HB   ASN 282           HB2      ASN 282   7.297  11.005  11.005
  251   2HB   ASN 282           HB1      ASN 282   8.668  10.764  10.764
  252   1HD2  ASN 282          HD21      ASN 282   5.302  10.018  10.018
  253   2HD2  ASN 282          HD22      ASN 282   5.099   9.045   9.045
  254    H    GLY 283           HN       GLY 283  10.787  10.223  10.223
  255   1HA   GLY 283           HA2      GLY 283  11.539  11.695  11.695
  256   2HA   GLY 283           HA1      GLY 283   9.873  11.848  11.848
  257    H    SER 284           HN       SER 284   9.457  10.903  10.903
  258    HA   SER 284           HA       SER 284  11.036   8.483   8.483
  259   1HB   SER 284           HB2      SER 284  10.306  10.426  10.426
  260   2HB   SER 284           HB1      SER 284  11.700   9.355   9.355
  261    HG   SER 284           HG       SER 284  11.400  11.934  11.934
  262    H    GLN 285           HN       GLN 285   8.159   9.228   9.228
  263    HA   GLN 285           HA       GLN 285   6.293   8.888   8.888
  264   1HB   GLN 285           HB2      GLN 285   6.340   8.041   8.041
  265   2HB   GLN 285           HB1      GLN 285   5.000   7.538   7.538
  266   1HG   GLN 285           HG2      GLN 285   4.454   9.828   9.828
  267   2HG   GLN 285           HG1      GLN 285   5.911  10.413  10.413
  268   1HE2  GLN 285          HE21      GLN 285   2.905  10.834  10.834
  269   2HE2  GLN 285          HE22      GLN 285   2.762  10.447  10.447
  270    H    THR 286           HN       THR 286   5.259   6.986   6.986
  271    HA   THR 286           HA       THR 286   6.697   4.416   4.416
  272    HB   THR 286           HB       THR 286   6.931   4.044   4.044
  273    HG1  THR 286           HG1      THR 286   6.301   5.701   5.701
  274   1HG2  THR 286          HG21      THR 286   8.338   5.964   5.964
  275   2HG2  THR 286          HG23      THR 286   7.985   6.757   6.757
  276   3HG2  THR 286          HG22      THR 286   8.851   5.221   5.221
  277    H    ILE 287           HN       ILE 287   5.432   2.575   2.575
  278    HA   ILE 287           HA       ILE 287   2.507   3.184   3.184
  279    HB   ILE 287           HB       ILE 287   4.035   0.649   0.649
  280   1HG1  ILE 287          HG12      ILE 287   2.454   2.655   2.655
  281   2HG1  ILE 287          HG11      ILE 287   4.169   2.271   2.271
  282   1HG2  ILE 287          HG22      ILE 287   1.861   0.187   0.187
  283   2HG2  ILE 287          HG21      ILE 287   1.047   1.172   1.172
  284   3HG2  ILE 287          HG23      ILE 287   1.859  -0.321  -0.321
  285   1HD1  ILE 287          HD13      ILE 287   3.297  -0.172  -0.172
  286   2HD1  ILE 287          HD12      ILE 287   1.787   0.642   0.642
  287   3HD1  ILE 287          HD11      ILE 287   3.257   1.005   1.005
  288    H    GLN 288           HN       GLN 288   1.164   2.344   2.344
  289    HA   GLN 288           HA       GLN 288   2.526   0.882   0.882
  290   1HB   GLN 288           HB2      GLN 288   1.655   3.561   3.561
  291   2HB   GLN 288           HB1      GLN 288   0.443   2.632   2.632
  292   1HG   GLN 288           HG2      GLN 288   2.876   1.532   1.532
  293   2HG   GLN 288           HG1      GLN 288   3.186   3.267   3.267
  294   1HE2  GLN 288          HE21      GLN 288   2.255   4.574   4.574
  295   2HE2  GLN 288          HE22      GLN 288   1.218   3.978   3.978
  296    H    ALA 289           HN       ALA 289   0.266   0.638   0.638
  297    HA   ALA 289           HA       ALA 289  -1.309  -1.290  -1.290
  298   1HB   ALA 289           HB3      ALA 289  -2.474   0.963   0.963
  299   2HB   ALA 289           HB2      ALA 289  -2.718   0.872   0.872
  300   3HB   ALA 289           HB1      ALA 289  -3.450  -0.335  -0.335
  301    H    SER 290           HN       SER 290  -2.412  -2.825  -2.825
  302    HA   SER 290           HA       SER 290  -2.380  -2.599  -2.599
  303   1HB   SER 290           HB2      SER 290  -0.768  -4.571  -4.571
  304   2HB   SER 290           HB1      SER 290  -0.037  -3.022  -3.022
  305    HG   SER 290           HG       SER 290   0.599  -4.974  -4.974
  306    H    TRP 291           HN       TRP 291  -4.167  -3.738  -3.738
  307    HA   TRP 291           HA       TRP 291  -4.723  -6.278  -6.278
  308   1HB   TRP 291           HB2      TRP 291  -7.179  -5.694  -5.694
  309   2HB   TRP 291           HB1      TRP 291  -6.296  -4.678  -4.678
  310    HD1  TRP 291           HD1      TRP 291  -7.861  -4.634  -4.634
  311    HE1  TRP 291           HE1      TRP 291  -8.086  -2.186  -2.186
  312    HE3  TRP 291           HE3      TRP 291  -5.324  -2.275  -2.275
  313    HZ2  TRP 291           HZ2      TRP 291  -7.294   0.426   0.426
  314    HZ3  TRP 291           HZ3      TRP 291  -5.075   0.190   0.190
  315    HH2  TRP 291           HH2      TRP 291  -6.056   1.543   1.543
  316    H    ASN 292           HN       ASN 292  -5.547  -7.959  -7.959
  317    HA   ASN 292           HA       ASN 292  -6.174  -9.075  -9.075
  318   1HB   ASN 292           HB2      ASN 292  -7.038  -6.410  -6.410
  319   2HB   ASN 292           HB1      ASN 292  -6.167  -6.893  -6.893
  320   1HD2  ASN 292          HD21      ASN 292  -8.857  -7.867  -7.867
  321   2HD2  ASN 292          HD22      ASN 292  -9.648  -8.822  -8.822
  322    H    ALA 293           HN       ALA 293  -3.376  -7.825  -7.825
  323    HA   ALA 293           HA       ALA 293  -1.850  -9.197  -9.197
  324   1HB   ALA 293           HB2      ALA 293  -2.364  -6.281  -6.281
  325   2HB   ALA 293           HB1      ALA 293  -0.852  -7.035  -7.035
  326   3HB   ALA 293           HB3      ALA 293  -2.390  -7.641  -7.641
  327    H    ASN 294           HN       ASN 294   0.404  -9.087  -9.087
  328    HA   ASN 294           HA       ASN 294   0.969  -7.740  -7.740
  329   1HB   ASN 294           HB2      ASN 294   2.510  -9.913  -9.913
  330   2HB   ASN 294           HB1      ASN 294   2.881  -9.287  -9.287
  331   1HD2  ASN 294          HD21      ASN 294   1.469 -11.899 -11.899
  332   2HD2  ASN 294          HD22      ASN 294   0.307 -12.285 -12.285
  333    H    VAL 295           HN       VAL 295   2.042  -5.835  -5.835
  334    HA   VAL 295           HA       VAL 295   3.700  -5.311  -5.311
  335    HB   VAL 295           HB       VAL 295   2.726  -3.389  -3.389
  336   1HG1  VAL 295          HG13      VAL 295   4.637  -3.181  -3.181
  337   2HG1  VAL 295          HG12      VAL 295   3.290  -2.069  -2.069
  338   3HG1  VAL 295          HG11      VAL 295   4.236  -1.997  -1.997
  339   1HG2  VAL 295          HG21      VAL 295   1.274  -4.663  -4.663
  340   2HG2  VAL 295          HG23      VAL 295   0.781  -3.233  -3.233
  341   3HG2  VAL 295          HG22      VAL 295   1.632  -3.055  -3.055
  342    H    THR 296           HN       THR 296   5.671  -6.291  -6.291
  343    HA   THR 296           HA       THR 296   7.065  -5.161  -5.161
  344    HB   THR 296           HB       THR 296   8.273  -7.368  -7.368
  345    HG1  THR 296           HG1      THR 296   7.968  -8.639  -8.639
  346   1HG2  THR 296          HG23      THR 296   5.992  -6.629  -6.629
  347   2HG2  THR 296          HG22      THR 296   5.366  -7.992  -7.992
  348   3HG2  THR 296          HG21      THR 296   6.671  -8.240  -8.240
  349    H    GLY 297           HN       GLY 297   9.438  -5.064  -5.064
  350   1HA   GLY 297           HA2      GLY 297  11.099  -5.661  -5.661
  351   2HA   GLY 297           HA1      GLY 297  10.137  -4.393  -4.393
  352    H    SER 298           HN       SER 298  12.517  -3.507  -3.507
  353    HA   SER 298           HA       SER 298  12.643  -1.578  -1.578
  354   1HB   SER 298           HB2      SER 298  15.296  -2.670  -2.670
  355   2HB   SER 298           HB1      SER 298  14.488  -2.401  -2.401
  356    HG   SER 298           HG       SER 298  13.651  -4.384  -4.384
  357    H    GLY 299           HN       GLY 299  14.294   0.145   0.145
  358   1HA   GLY 299           HA2      GLY 299  15.638   1.396   1.396
  359   2HA   GLY 299           HA1      GLY 299  15.154   0.282   0.282
  360    H    SER 300           HN       SER 300  14.550   2.076   2.076
  361    HA   SER 300           HA       SER 300  12.332   3.794   3.794
  362   1HB   SER 300           HB2      SER 300  13.839   3.770   3.770
  363   2HB   SER 300           HB1      SER 300  12.645   4.972   4.972
  364    HG   SER 300           HG       SER 300  15.162   5.112   5.112
  365    H    THR 301           HN       THR 301  12.400   0.752   0.752
  366    HA   THR 301           HA       THR 301   9.896   1.052   1.052
  367    HB   THR 301           HB       THR 301  10.677  -1.237  -1.237
  368    HG1  THR 301           HG1      THR 301  12.546  -1.811  -1.811
  369   1HG2  THR 301          HG22      THR 301  11.270   1.537   1.537
  370   2HG2  THR 301          HG21      THR 301  12.445   0.415   0.415
  371   3HG2  THR 301          HG23      THR 301  10.728   0.218   0.218
  372    H    ARG 302           HN       ARG 302   8.429  -0.846  -0.846
  373    HA   ARG 302           HA       ARG 302   8.899  -2.423  -2.423
  374   1HB   ARG 302           HB2      ARG 302   6.556  -0.643  -0.643
  375   2HB   ARG 302           HB1      ARG 302   6.346  -2.048  -2.048
  376   1HG   ARG 302           HG2      ARG 302   8.720  -0.562  -0.562
  377   2HG   ARG 302           HG1      ARG 302   7.299   0.485   0.485
  378   1HD   ARG 302           HD2      ARG 302   6.264  -1.720  -1.720
  379   2HD   ARG 302           HD1      ARG 302   7.942  -1.844  -1.844
  380    HE   ARG 302           HE       ARG 302   6.120   0.434   0.434
  381   1HH1  ARG 302          HH21      ARG 302   9.060   1.142   1.142
  382   2HH1  ARG 302          HH22      ARG 302   9.584   0.972   0.972
  383   1HH2  ARG 302          HH11      ARG 302   6.794  -0.839  -0.839
  384   2HH2  ARG 302          HH12      ARG 302   8.300  -0.150  -0.150
  385    H    THR 303           HN       THR 303   8.473  -4.553  -4.553
  386    HA   THR 303           HA       THR 303   7.281  -5.350  -5.350
  387    HB   THR 303           HB       THR 303   8.145  -7.221  -7.221
  388    HG1  THR 303           HG1      THR 303   9.882  -6.360  -6.360
  389   1HG2  THR 303          HG21      THR 303   8.084  -7.381  -7.381
  390   2HG2  THR 303          HG23      THR 303   8.723  -8.640  -8.640
  391   3HG2  THR 303          HG22      THR 303   7.010  -8.224  -8.224
  392    H    VAL 304           HN       VAL 304   5.309  -6.451  -6.451
  393    HA   VAL 304           HA       VAL 304   3.715  -6.826  -6.826
  394    HB   VAL 304           HB       VAL 304   2.797  -5.481  -5.481
  395   1HG1  VAL 304          HG13      VAL 304   1.169  -7.118  -7.118
  396   2HG1  VAL 304          HG12      VAL 304   1.141  -5.953  -5.953
  397   3HG1  VAL 304          HG11      VAL 304   0.594  -5.475  -5.475
  398   1HG2  VAL 304          HG22      VAL 304   3.874  -4.521  -4.521
  399   2HG2  VAL 304          HG21      VAL 304   3.345  -3.587  -3.587
  400   3HG2  VAL 304          HG23      VAL 304   2.191  -4.012  -4.012
  401    H    THR 305           HN       THR 305   2.586  -8.742  -8.742
  402    HA   THR 305           HA       THR 305   2.213 -10.192 -10.192
  403    HB   THR 305           HB       THR 305   3.012 -12.289 -12.289
  404    HG1  THR 305           HG1      THR 305   3.340 -12.292 -12.292
  405   1HG2  THR 305          HG23      THR 305   4.626  -9.980  -9.980
  406   2HG2  THR 305          HG22      THR 305   5.458 -11.006 -11.006
  407   3HG2  THR 305          HG21      THR 305   4.904 -11.684 -11.684
  408    HA   PRO 306           HA       PRO 306  -1.693 -11.168 -11.168
  409   1HB   PRO 306           HB2      PRO 306  -2.226 -13.478 -13.478
  410   2HB   PRO 306           HB1      PRO 306  -2.305 -11.860 -11.860
  411   1HG   PRO 306           HG2      PRO 306  -0.225 -13.969 -13.969
  412   2HG   PRO 306           HG1      PRO 306  -0.697 -12.665 -12.665
  413   1HD   PRO 306           HD2      PRO 306   1.591 -12.680 -12.680
  414   2HD   PRO 306           HD1      PRO 306   0.927 -11.268 -11.268
  415    H    ASN 307           HN       ASN 307  -2.726 -12.640 -12.640
  416    HA   ASN 307           HA       ASN 307  -0.919 -14.771 -14.771
  417   1HB   ASN 307           HB2      ASN 307  -1.890 -14.285 -14.285
  418   2HB   ASN 307           HB1      ASN 307  -1.058 -12.882 -12.882
  419   1HD2  ASN 307          HD21      ASN 307  -4.082 -14.008 -14.008
  420   2HD2  ASN 307          HD22      ASN 307  -5.006 -12.645 -12.645
  421    H    GLY 308           HN       GLY 308  -3.376 -14.638 -14.638
  422   1HA   GLY 308           HA2      GLY 308  -4.920 -16.378 -16.378
  423   2HA   GLY 308           HA1      GLY 308  -4.631 -17.067 -17.067
  424    H    SER 309           HN       SER 309  -5.633 -13.761 -13.761
  425    HA   SER 309           HA       SER 309  -8.164 -14.254 -14.254
  426   1HB   SER 309           HB2      SER 309  -6.141 -12.639 -12.639
  427   2HB   SER 309           HB1      SER 309  -7.121 -11.489 -11.489
  428    HG   SER 309           HG       SER 309  -7.591 -12.642 -12.642
  429    H    GLY 310           HN       GLY 310  -6.585 -12.090 -12.090
  430   1HA   GLY 310           HA2      GLY 310  -8.623 -12.359 -12.359
  431   2HA   GLY 310           HA1      GLY 310  -8.990 -10.927 -10.927
  432    H    ASN 311           HN       ASN 311  -8.586  -9.846  -9.846
  433    HA   ASN 311           HA       ASN 311  -5.653  -9.423  -9.423
  434   1HB   ASN 311           HB2      ASN 311  -7.754  -8.754  -8.754
  435   2HB   ASN 311           HB1      ASN 311  -6.042  -9.103  -9.103
  436   1HD2  ASN 311          HD21      ASN 311  -8.125 -10.514 -10.514
  437   2HD2  ASN 311          HD22      ASN 311  -8.092 -12.135 -12.135
  438    H    THR 312           HN       THR 312  -8.052  -8.058  -8.058
  439    HA   THR 312           HA       THR 312  -7.293  -5.283  -5.283
  440    HB   THR 312           HB       THR 312  -9.881  -6.105  -6.105
  441    HG1  THR 312           HG1      THR 312 -10.501  -6.687  -6.687
  442   1HG2  THR 312          HG23      THR 312  -8.716  -3.563  -3.563
  443   2HG2  THR 312          HG22      THR 312 -10.463  -3.799  -3.799
  444   3HG2  THR 312          HG21      THR 312  -9.620  -3.832  -3.832
  445    H    PHE 313           HN       PHE 313  -5.834  -4.592  -4.592
  446    HA   PHE 313           HA       PHE 313  -6.510  -5.058  -5.058
  447   1HB   PHE 313           HB2      PHE 313  -4.120  -5.250  -5.250
  448   2HB   PHE 313           HB1      PHE 313  -4.571  -6.447  -6.447
  449    HD1  PHE 313           HD2      PHE 313  -4.117  -5.967  -5.967
  450    HD2  PHE 313           HD1      PHE 313  -2.547  -3.527  -3.527
  451    HE1  PHE 313           HE2      PHE 313  -2.448  -5.010  -5.010
  452    HE2  PHE 313           HE1      PHE 313  -0.878  -2.570  -2.570
  453    HZ   PHE 313           HZ       PHE 313  -0.828  -3.312  -3.312
  454    H    GLY 314           HN       GLY 314  -5.637  -3.350  -3.350
  455   1HA   GLY 314           HA2      GLY 314  -5.250  -0.759  -0.759
  456   2HA   GLY 314           HA1      GLY 314  -6.262  -0.882  -0.882
  457    H    VAL 315           HN       VAL 315  -3.957   0.827   0.827
  458    HA   VAL 315           HA       VAL 315  -2.341  -0.318  -0.318
  459    HB   VAL 315           HB       VAL 315  -0.263   0.429   0.429
  460   1HG1  VAL 315          HG13      VAL 315  -1.693  -1.754  -1.754
  461   2HG1  VAL 315          HG12      VAL 315  -1.474  -0.954  -0.954
  462   3HG1  VAL 315          HG11      VAL 315  -0.069  -1.399  -1.399
  463   1HG2  VAL 315          HG21      VAL 315  -1.970   2.103   2.103
  464   2HG2  VAL 315          HG23      VAL 315  -0.223   1.960   1.960
  465   3HG2  VAL 315          HG22      VAL 315  -1.299   0.985   0.985
  466    H    THR 316           HN       THR 316  -1.512   1.283   1.283
  467    HA   THR 316           HA       THR 316  -2.762   3.970   3.970
  468    HB   THR 316           HB       THR 316  -1.764   2.600   2.600
  469    HG1  THR 316           HG1      THR 316  -4.412   3.328   3.328
  470   1HG2  THR 316          HG22      THR 316  -2.414   5.365   5.365
  471   2HG2  THR 316          HG21      THR 316  -3.462   4.726   4.726
  472   3HG2  THR 316          HG23      THR 316  -1.711   4.687   4.687
  473    H    VAL 317           HN       VAL 317  -1.341   5.475   5.475
  474    HA   VAL 317           HA       VAL 317   1.537   5.163   5.163
  475    HB   VAL 317           HB       VAL 317   0.192   6.790   6.790
  476   1HG1  VAL 317          HG11      VAL 317   2.277   7.818   7.818
  477   2HG1  VAL 317          HG13      VAL 317   3.153   6.376   6.376
  478   3HG1  VAL 317          HG12      VAL 317   2.406   7.427   7.427
  479   1HG2  VAL 317          HG22      VAL 317   1.187   4.068   4.068
  480   2HG2  VAL 317          HG21      VAL 317   0.317   4.845   4.845
  481   3HG2  VAL 317          HG23      VAL 317   2.073   4.977   4.977
  482    H    MET 318           HN       MET 318   2.690   7.029   7.029
  483    HA   MET 318           HA       MET 318   0.904   8.954   8.954
  484   1HB   MET 318           HB2      MET 318   3.792   8.156   8.156
  485   2HB   MET 318           HB1      MET 318   2.977   9.442   9.442
  486   1HG   MET 318           HG2      MET 318   1.183   7.700   7.700
  487   2HG   MET 318           HG1      MET 318   2.325   6.492   6.492
  488   1HE   MET 318           HE2      MET 318   1.448   9.247   9.247
  489   2HE   MET 318           HE1      MET 318   1.101   7.878   7.878
  490   3HE   MET 318           HE3      MET 318   2.369   9.033   9.033
  491    H    LYS 319           HN       LYS 319   1.239  11.201  11.201
  492    HA   LYS 319           HA       LYS 319   2.141  12.133  12.133
  493   1HB   LYS 319           HB2      LYS 319   1.771  13.632  13.632
  494   2HB   LYS 319           HB1      LYS 319   2.014  14.403  14.403
  495   1HG   LYS 319           HG2      LYS 319  -0.258  12.517  12.517
  496   2HG   LYS 319           HG1      LYS 319  -0.389  14.271  14.271
  497   1HD   LYS 319           HD2      LYS 319   0.449  14.074  14.074
  498   2HD   LYS 319           HD1      LYS 319   0.303  12.324  12.324
  499   1HE   LYS 319           HE2      LYS 319  -1.720  13.247  13.247
  500   2HE   LYS 319           HE1      LYS 319  -2.101  12.589  12.589
  501   1HZ   LYS 319           HZ1      LYS 319  -1.416  15.439  15.439
  502   2HZ   LYS 319           HZ3      LYS 319  -3.007  14.876  14.876
  503   3HZ   LYS 319           HZ2      LYS 319  -2.205  14.709  14.709
  504    H    ASN 320           HN       ASN 320   3.631  13.155  13.155
  505    HA   ASN 320           HA       ASN 320   5.885  13.525  13.525
  506   1HB   ASN 320           HB2      ASN 320   6.322  11.437  11.437
  507   2HB   ASN 320           HB1      ASN 320   7.527  11.964  11.964
  508   1HD2  ASN 320          HD21      ASN 320   6.968   9.286   9.286
  509   2HD2  ASN 320          HD22      ASN 320   5.984   8.911   8.911
  510    H    GLY 321           HN       GLY 321   4.486  14.962  14.962
  511   1HA   GLY 321           HA2      GLY 321   5.446  16.957  16.957
  512   2HA   GLY 321           HA1      GLY 321   6.974  16.090  16.090
  513    H    SER 322           HN       SER 322   4.340  14.107  14.107
  514    HA   SER 322           HA       SER 322   4.472  14.819  14.819
  515   1HB   SER 322           HB2      SER 322   5.209  12.219  12.219
  516   2HB   SER 322           HB1      SER 322   4.432  12.184  12.184
  517    HG   SER 322           HG       SER 322   6.100  13.821  13.821
  518    H    SER 323           HN       SER 323   2.557  14.324  14.324
  519    HA   SER 323           HA       SER 323   0.348  13.081  13.081
  520   1HB   SER 323           HB2      SER 323  -0.462  15.353  15.353
  521   2HB   SER 323           HB1      SER 323  -0.996  14.913  14.913
  522    HG   SER 323           HG       SER 323   0.449  16.891  16.891
  523    H    THR 324           HN       THR 324   2.187  12.668  12.668
  524    HA   THR 324           HA       THR 324   0.011  12.158  12.158
  525    HB   THR 324           HB       THR 324   2.958  12.600  12.600
  526    HG1  THR 324           HG1      THR 324   2.236  14.184  14.184
  527   1HG2  THR 324          HG21      THR 324   1.369  10.734  10.734
  528   2HG2  THR 324          HG23      THR 324   2.712  11.645  11.645
  529   3HG2  THR 324          HG22      THR 324   2.996  10.535  10.535
  530    H    THR 325           HN       THR 325  -0.830  10.131  10.131
  531    HA   THR 325           HA       THR 325   0.083   7.965   7.965
  532    HB   THR 325           HB       THR 325  -1.040   6.602   6.602
  533    HG1  THR 325           HG1      THR 325  -1.912   7.831   7.831
  534   1HG2  THR 325          HG21      THR 325  -2.061   8.165   8.165
  535   2HG2  THR 325          HG23      THR 325  -3.275   7.838   7.838
  536   3HG2  THR 325          HG22      THR 325  -2.415   6.502   6.502
  537    HA   PRO 326           HA       PRO 326   3.615   6.388   6.388
  538   1HB   PRO 326           HB2      PRO 326   3.360   3.726   3.726
  539   2HB   PRO 326           HB1      PRO 326   3.869   4.962   4.962
  540   1HG   PRO 326           HG2      PRO 326   1.252   3.567   3.567
  541   2HG   PRO 326           HG1      PRO 326   2.014   4.295   4.295
  542   1HD   PRO 326           HD2      PRO 326  -0.076   5.438   5.438
  543   2HD   PRO 326           HD1      PRO 326   0.914   6.280   6.280
  544    H    ALA 327           HN       ALA 327   4.294   4.639   4.639
  545    HA   ALA 327           HA       ALA 327   2.084   4.281   4.281
  546   1HB   ALA 327           HB2      ALA 327   4.463   5.480   5.480
  547   2HB   ALA 327           HB1      ALA 327   4.919   3.817   3.817
  548   3HB   ALA 327           HB3      ALA 327   3.617   4.594   4.594
  549    H    ALA 328           HN       ALA 328   1.310   2.240   2.240
  550    HA   ALA 328           HA       ALA 328   2.973  -0.004  -0.004
  551   1HB   ALA 328           HB1      ALA 328   0.025   0.374   0.374
  552   2HB   ALA 328           HB3      ALA 328   0.706  -1.248  -1.248
  553   3HB   ALA 328           HB2      ALA 328   0.851  -0.126  -0.126
  554    H    THR 329           HN       THR 329   3.360  -1.851  -1.851
  555    HA   THR 329           HA       THR 329   2.568  -1.636  -1.636
  556    HB   THR 329           HB       THR 329   4.889  -2.279  -2.279
  557    HG1  THR 329           HG1      THR 329   6.445  -1.750  -1.750
  558   1HG2  THR 329          HG22      THR 329   3.896   0.217   0.217
  559   2HG2  THR 329          HG21      THR 329   5.426   0.173   0.173
  560   3HG2  THR 329          HG23      THR 329   5.401  -0.087  -0.087
  561    H    CYS 330           HN       CYS 330   1.770  -3.559  -3.559
  562    HA   CYS 330           HA       CYS 330   2.028  -5.917  -5.917
  563   1HB   CYS 330           HB2      CYS 330  -0.155  -5.530  -5.530
  564   2HB   CYS 330           HB1      CYS 330   0.509  -5.395  -5.395
  565    H    ALA 331           HN       ALA 331   3.593  -7.427  -7.427
  566    HA   ALA 331           HA       ALA 331   4.827  -7.643  -7.643
  567   1HB   ALA 331           HB3      ALA 331   6.333  -6.581  -6.581
  568   2HB   ALA 331           HB2      ALA 331   6.231  -8.065  -8.065
  569   3HB   ALA 331           HB1      ALA 331   6.970  -8.091  -8.091
  570    H    GLY 332           HN       GLY 332   4.226  -9.578  -9.578
  571   1HA   GLY 332           HA2      GLY 332   4.599 -12.016 -12.016
  572   2HA   GLY 332           HA1      GLY 332   2.947 -11.712 -11.712
  573    H    SER 333           HN       SER 333   6.186 -12.545 -12.545
  574    HA   SER 333           HA       SER 333   5.429 -12.629 -12.629
  575   1HB   SER 333           HB2      SER 333   7.843 -14.091 -14.091
  576   2HB   SER 333           HB1      SER 333   7.658 -12.574 -12.574
  577    HG   SER 333           HG       SER 333   8.200 -13.050 -13.050