*HEADER    HYDROLASE                               16-OCT-98   1XBD      
*TITLE     INTERNAL XYLAN BINDING DOMAIN FROM CELLULOMONAS FIMI          
*TITLE    2 XYLANASE D, NMR, 5 STRUCTURES                                
*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, 5 STRUCTURES                                             
*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 1XBD    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

  Start of MODEL    1
    1   1H    THR 247          2H        THR 247  -5.540  15.389  15.389
    2   2H    THR 247          1H        THR 247  -6.477  16.570  16.570
    3   3H    THR 247          3H        THR 247  -7.081  15.787  15.787
    4    HA   THR 247           HA       THR 247  -8.185  14.636  14.636
    5    HB   THR 247           HB       THR 247  -7.433  15.585  15.585
    6    HG1  THR 247           HG1      THR 247  -7.630  13.628  13.628
    7   1HG2  THR 247          3HG2      THR 247  -4.718  15.029  15.029
    8   2HG2  THR 247          2HG2      THR 247  -4.888  15.226  15.226
    9   3HG2  THR 247          1HG2      THR 247  -5.367  16.531  16.531
   10    H    GLY 248           H        GLY 248  -8.160  12.904  12.904
   11   1HA   GLY 248          2HA       GLY 248  -7.697  10.614  10.614
   12   2HA   GLY 248          1HA       GLY 248  -6.344  10.703  10.703
   13    H    CYS 249           H        CYS 249  -6.450   9.642   9.642
   14    HA   CYS 249           HA       CYS 249  -4.386  11.444  11.444
   15   1HB   CYS 249          2HB       CYS 249  -5.073  10.254  10.254
   16   2HB   CYS 249          1HB       CYS 249  -6.233  11.401  11.401
   17    H    SER 250           H        SER 250  -2.858  10.112  10.112
   18    HA   SER 250           HA       SER 250  -2.409   7.364   7.364
   19   1HB   SER 250          2HB       SER 250   0.155   8.275   8.275
   20   2HB   SER 250          1HB       SER 250  -0.834   8.209   8.209
   21    HG   SER 250           HG       SER 250  -1.447  10.364  10.364
   22    H    VAL 251           H        VAL 251  -0.476   6.386   6.386
   23    HA   VAL 251           HA       VAL 251  -0.463   7.433   7.433
   24    HB   VAL 251           HB       VAL 251  -0.590   4.481   4.481
   25   1HG1  VAL 251          1HG1      VAL 251  -0.932   6.458   6.458
   26   2HG1  VAL 251          3HG1      VAL 251  -2.302   5.352   5.352
   27   3HG1  VAL 251          2HG1      VAL 251  -0.669   4.720   4.720
   28   1HG2  VAL 251          3HG2      VAL 251  -2.971   6.343   6.343
   29   2HG2  VAL 251          2HG2      VAL 251  -2.399   5.193   5.193
   30   3HG2  VAL 251          1HG2      VAL 251  -3.100   4.609   4.609
   31    H    THR 252           H        THR 252   1.556   7.345   7.345
   32    HA   THR 252           HA       THR 252   3.654   5.826   5.826
   33    HB   THR 252           HB       THR 252   5.032   7.689   7.689
   34    HG1  THR 252           HG1      THR 252   2.673   8.908   8.908
   35   1HG2  THR 252          1HG2      THR 252   5.139   7.030   7.030
   36   2HG2  THR 252          3HG2      THR 252   3.928   8.284   8.284
   37   3HG2  THR 252          2HG2      THR 252   5.508   8.710   8.710
   38    H    ALA 253           H        ALA 253   4.840   4.357   4.357
   39    HA   ALA 253           HA       ALA 253   4.484   4.372   4.372
   40   1HB   ALA 253          2HB       ALA 253   3.454   2.464   2.464
   41   2HB   ALA 253          1HB       ALA 253   5.026   1.766   1.766
   42   3HB   ALA 253          3HB       ALA 253   3.897   2.171   2.171
   43    H    THR 254           H        THR 254   6.457   5.065   5.065
   44    HA   THR 254           HA       THR 254   8.900   3.981   3.981
   45    HB   THR 254           HB       THR 254   8.905   6.144   6.144
   46    HG1  THR 254           HG1      THR 254   7.396   6.773   6.773
   47   1HG2  THR 254          1HG2      THR 254  10.676   5.198   5.198
   48   2HG2  THR 254          3HG2      THR 254  10.789   6.868   6.868
   49   3HG2  THR 254          2HG2      THR 254  11.090   5.544   5.544
   50    H    ARG 255           H        ARG 255  10.247   2.611   2.611
   51    HA   ARG 255           HA       ARG 255   9.295   1.392   1.392
   52   1HB   ARG 255          2HB       ARG 255  11.936   1.212   1.212
   53   2HB   ARG 255          1HB       ARG 255  11.557   0.252   0.252
   54   1HG   ARG 255          2HG       ARG 255   9.439   0.182   0.182
   55   2HG   ARG 255          1HG       ARG 255  10.973  -0.475  -0.475
   56   1HD   ARG 255          2HD       ARG 255   9.837  -1.271  -1.271
   57   2HD   ARG 255          1HD       ARG 255   9.355  -2.099  -2.099
   58    HE   ARG 255           HE       ARG 255  11.763  -2.610  -2.610
   59   1HH1  ARG 255          1HH1      ARG 255  10.655  -4.094  -4.094
   60   2HH1  ARG 255          2HH1      ARG 255  11.949  -3.883  -3.883
   61   1HH2  ARG 255          1HH2      ARG 255  13.456  -1.328  -1.328
   62   2HH2  ARG 255          2HH2      ARG 255  13.535  -2.317  -2.317
   63    H    ALA 256           H        ALA 256   9.350   2.492   2.492
   64    HA   ALA 256           HA       ALA 256  11.377   4.557   4.557
   65   1HB   ALA 256          3HB       ALA 256   8.841   3.707   3.707
   66   2HB   ALA 256          2HB       ALA 256  10.064   4.134   4.134
   67   3HB   ALA 256          1HB       ALA 256   9.587   5.305   5.305
   68    H    GLU 257           H        GLU 257  10.356   1.916   1.916
   69    HA   GLU 257           HA       GLU 257  13.239   1.523   1.523
   70   1HB   GLU 257          2HB       GLU 257  10.700   0.932   0.932
   71   2HB   GLU 257          1HB       GLU 257  12.291   0.368   0.368
   72   1HG   GLU 257          2HG       GLU 257  12.466   3.158   3.158
   73   2HG   GLU 257          1HG       GLU 257  11.124   2.918   2.918
   74    H    GLU 258           H        GLU 258  14.168  -0.488  -0.488
   75    HA   GLU 258           HA       GLU 258  12.366  -2.664  -2.664
   76   1HB   GLU 258          2HB       GLU 258  15.216  -2.315  -2.315
   77   2HB   GLU 258          1HB       GLU 258  13.923  -3.251  -3.251
   78   1HG   GLU 258          2HG       GLU 258  13.854  -1.387  -1.387
   79   2HG   GLU 258          1HG       GLU 258  12.753  -0.849  -0.849
   80    H    TRP 259           H        TRP 259  12.556  -4.533  -4.533
   81    HA   TRP 259           HA       TRP 259  14.998  -4.866  -4.866
   82   1HB   TRP 259          2HB       TRP 259  12.092  -5.412  -5.412
   83   2HB   TRP 259          1HB       TRP 259  13.344  -6.316  -6.316
   84    HD1  TRP 259           HD1      TRP 259  15.087  -4.886  -4.886
   85    HE1  TRP 259           HE1      TRP 259  14.797  -2.624  -2.624
   86    HE3  TRP 259           HE3      TRP 259  10.945  -3.126  -3.126
   87    HZ2  TRP 259           HZ2      TRP 259  13.040  -0.368  -0.368
   88    HZ3  TRP 259           HZ3      TRP 259   9.985  -0.921  -0.921
   89    HH2  TRP 259           HH2      TRP 259  11.026   0.460   0.460
   90    H    SER 260           H        SER 260  14.988  -7.396  -7.396
   91    HA   SER 260           HA       SER 260  15.137  -8.850  -8.850
   92   1HB   SER 260          2HB       SER 260  16.266  -9.247  -9.247
   93   2HB   SER 260          1HB       SER 260  16.088 -10.652 -10.652
   94    HG   SER 260           HG       SER 260  17.902  -8.654  -8.654
   95    H    ASP 261           H        ASP 261  12.680  -8.248  -8.248
   96    HA   ASP 261           HA       ASP 261  11.530 -10.980 -10.980
   97   1HB   ASP 261          2HB       ASP 261  10.214 -10.353 -10.353
   98   2HB   ASP 261          1HB       ASP 261  11.851 -10.996 -10.996
   99    H    ARG 262           H        ARG 262  10.926  -7.505  -7.505
  100    HA   ARG 262           HA       ARG 262   8.567  -7.790  -7.790
  101   1HB   ARG 262          2HB       ARG 262   7.277  -6.252  -6.252
  102   2HB   ARG 262          1HB       ARG 262   7.551  -7.873  -7.873
  103   1HG   ARG 262          2HG       ARG 262   8.698  -7.045  -7.045
  104   2HG   ARG 262          1HG       ARG 262   9.778  -6.159  -6.159
  105   1HD   ARG 262          2HD       ARG 262   8.783  -4.227  -4.227
  106   2HD   ARG 262          1HD       ARG 262   7.241  -4.840  -4.840
  107    HE   ARG 262           HE       ARG 262   7.009  -5.900  -5.900
  108   1HH1  ARG 262          1HH2      ARG 262   7.512  -2.698  -2.698
  109   2HH1  ARG 262          2HH2      ARG 262   8.036  -2.254  -2.254
  110   1HH2  ARG 262          1HH1      ARG 262   8.309  -5.528  -5.528
  111   2HH2  ARG 262          2HH1      ARG 262   8.488  -3.857  -3.857
  112    H    PHE 263           H        PHE 263   7.993  -5.760  -5.760
  113    HA   PHE 263           HA       PHE 263  10.058  -3.620  -3.620
  114   1HB   PHE 263          2HB       PHE 263  10.129  -3.345  -3.345
  115   2HB   PHE 263          1HB       PHE 263  10.465  -5.035  -5.035
  116    HD1  PHE 263           HD1      PHE 263   7.869  -2.673  -2.673
  117    HD2  PHE 263           HD2      PHE 263   8.959  -6.791  -6.791
  118    HE1  PHE 263           HE1      PHE 263   5.941  -3.374  -3.374
  119    HE2  PHE 263           HE2      PHE 263   7.030  -7.490  -7.490
  120    HZ   PHE 263           HZ       PHE 263   5.521  -5.781  -5.781
  121    H    ASN 264           H        ASN 264   9.196  -1.582  -1.582
  122    HA   ASN 264           HA       ASN 264   6.255  -1.344  -1.344
  123   1HB   ASN 264          2HB       ASN 264   8.397   0.664   0.664
  124   2HB   ASN 264          1HB       ASN 264   6.659   0.911   0.911
  125   1HD2  ASN 264          1HD2      ASN 264   7.339   1.127   1.127
  126   2HD2  ASN 264          2HD2      ASN 264   7.425  -0.302  -0.302
  127    H    VAL 265           H        VAL 265   5.267   0.492   0.492
  128    HA   VAL 265           HA       VAL 265   6.884   1.399   1.399
  129    HB   VAL 265           HB       VAL 265   4.019   0.618   0.618
  130   1HG1  VAL 265          2HG1      VAL 265   5.449   1.827   1.827
  131   2HG1  VAL 265          1HG1      VAL 265   6.457   0.382   0.382
  132   3HG1  VAL 265          3HG1      VAL 265   4.764   0.302   0.302
  133   1HG2  VAL 265          2HG2      VAL 265   5.146  -1.313  -1.313
  134   2HG2  VAL 265          1HG2      VAL 265   4.662  -1.673  -1.673
  135   3HG2  VAL 265          3HG2      VAL 265   6.350  -1.319  -1.319
  136    H    THR 266           H        THR 266   5.940   3.333   3.333
  137    HA   THR 266           HA       THR 266   4.127   4.831   4.831
  138    HB   THR 266           HB       THR 266   6.213   6.172   6.172
  139    HG1  THR 266           HG1      THR 266   7.326   6.172   6.172
  140   1HG2  THR 266          1HG2      THR 266   4.141   7.097   7.097
  141   2HG2  THR 266          3HG2      THR 266   5.551   7.238   7.238
  142   3HG2  THR 266          2HG2      THR 266   5.537   8.042   8.042
  143    H    TYR 267           H        TYR 267   2.261   4.384   4.384
  144    HA   TYR 267           HA       TYR 267   2.277   5.026   5.026
  145   1HB   TYR 267          2HB       TYR 267   0.242   3.896   3.896
  146   2HB   TYR 267          1HB       TYR 267  -0.243   4.459   4.459
  147    HD1  TYR 267           HD2      TYR 267   1.714   1.954   1.954
  148    HD2  TYR 267           HD1      TYR 267   0.518   3.327   3.327
  149    HE1  TYR 267           HE2      TYR 267   2.505  -0.177  -0.177
  150    HE2  TYR 267           HE1      TYR 267   1.306   1.195   1.195
  151    HH   TYR 267           HH       TYR 267   1.616  -1.329  -1.329
  152    H    SER 268           H        SER 268   0.977   6.725   6.725
  153    HA   SER 268           HA       SER 268  -0.442   8.576   8.576
  154   1HB   SER 268          2HB       SER 268   0.992  10.423  10.423
  155   2HB   SER 268          1HB       SER 268   2.125   9.092   9.092
  156    HG   SER 268           HG       SER 268   2.946   9.887   9.887
  157    H    VAL 269           H        VAL 269  -1.771  10.019  10.019
  158    HA   VAL 269           HA       VAL 269  -1.675   9.684   9.684
  159    HB   VAL 269           HB       VAL 269  -4.126   9.656   9.656
  160   1HG1  VAL 269          2HG1      VAL 269  -3.941  10.717  10.717
  161   2HG1  VAL 269          1HG1      VAL 269  -4.453   9.057   9.057
  162   3HG1  VAL 269          3HG1      VAL 269  -5.417  10.101  10.101
  163   1HG2  VAL 269          3HG2      VAL 269  -2.784   7.593   7.593
  164   2HG2  VAL 269          2HG2      VAL 269  -3.051   7.503   7.503
  165   3HG2  VAL 269          1HG2      VAL 269  -4.419   7.404   7.404
  166    H    SER 270           H        SER 270  -2.132  11.567  11.567
  167    HA   SER 270           HA       SER 270  -2.521  14.032  14.032
  168   1HB   SER 270          2HB       SER 270  -0.481  14.487  14.487
  169   2HB   SER 270          1HB       SER 270  -0.753  13.396  13.396
  170    HG   SER 270           HG       SER 270  -0.911  15.952  15.952
  171    H    GLY 271           H        GLY 271  -3.824  15.731  15.731
  172   1HA   GLY 271          2HA       GLY 271  -5.280  16.427  16.427
  173   2HA   GLY 271          1HA       GLY 271  -5.638  14.721  14.721
  174    H    SER 272           H        SER 272  -6.514  13.643  13.643
  175    HA   SER 272           HA       SER 272  -8.320  15.519  15.519
  176   1HB   SER 272          2HB       SER 272  -9.998  13.403  13.403
  177   2HB   SER 272          1HB       SER 272 -10.002  14.859  14.859
  178    HG   SER 272           HG       SER 272  -8.533  12.472  12.472
  179    H    SER 273           H        SER 273  -9.476  14.234  14.234
  180    HA   SER 273           HA       SER 273  -7.457  12.382  12.382
  181   1HB   SER 273          2HB       SER 273  -7.872  14.361  14.361
  182   2HB   SER 273          1HB       SER 273  -9.610  14.080  14.080
  183    HG   SER 273           HG       SER 273  -7.603  12.506  12.506
  184    H    ALA 274           H        ALA 274 -10.797  12.668  12.668
  185    HA   ALA 274           HA       ALA 274 -11.628  10.198  10.198
  186   1HB   ALA 274          3HB       ALA 274 -13.060  12.287  12.287
  187   2HB   ALA 274          2HB       ALA 274 -13.139  11.324  11.324
  188   3HB   ALA 274          1HB       ALA 274 -13.749  10.664  10.664
  189    H    TRP 275           H        TRP 275  -9.810   8.908   8.908
  190    HA   TRP 275           HA       TRP 275 -10.453   7.967   7.967
  191   1HB   TRP 275          2HB       TRP 275  -7.909   7.450   7.450
  192   2HB   TRP 275          1HB       TRP 275  -8.415   9.127   9.127
  193    HD1  TRP 275           HD1      TRP 275  -7.357  10.827  10.827
  194    HE1  TRP 275           HE1      TRP 275  -6.046  10.709  10.709
  195    HE3  TRP 275           HE3      TRP 275  -7.717   5.823   5.823
  196    HZ2  TRP 275           HZ2      TRP 275  -5.254   8.758   8.758
  197    HZ3  TRP 275           HZ3      TRP 275  -6.677   4.867   4.867
  198    HH2  TRP 275           HH2      TRP 275  -5.447   6.326   6.326
  199    H    THR 276           H        THR 276  -9.712   5.703   5.703
  200    HA   THR 276           HA       THR 276  -9.854   4.095   4.095
  201    HB   THR 276           HB       THR 276 -10.629   3.234   3.234
  202    HG1  THR 276           HG1      THR 276 -12.150   4.204   4.204
  203   1HG2  THR 276          1HG2      THR 276  -9.910   1.546   1.546
  204   2HG2  THR 276          3HG2      THR 276 -11.448   1.958   1.958
  205   3HG2  THR 276          2HG2      THR 276 -11.422   1.254   1.254
  206    H    VAL 277           H        VAL 277  -7.667   3.773   3.773
  207    HA   VAL 277           HA       VAL 277  -5.793   3.171   3.171
  208    HB   VAL 277           HB       VAL 277  -5.553   3.217   3.217
  209   1HG1  VAL 277          1HG1      VAL 277  -3.911   1.811   1.811
  210   2HG1  VAL 277          3HG1      VAL 277  -2.993   3.154   3.154
  211   3HG1  VAL 277          2HG1      VAL 277  -3.704   1.941   1.941
  212   1HG2  VAL 277          3HG2      VAL 277  -5.625   5.281   5.281
  213   2HG2  VAL 277          2HG2      VAL 277  -4.582   5.288   5.288
  214   3HG2  VAL 277          1HG2      VAL 277  -3.918   4.867   4.867
  215    H    ASN 278           H        ASN 278  -6.310   1.218   1.218
  216    HA   ASN 278           HA       ASN 278  -6.861  -1.151  -1.151
  217   1HB   ASN 278          2HB       ASN 278  -7.302  -0.373  -0.373
  218   2HB   ASN 278          1HB       ASN 278  -6.491  -1.938  -1.938
  219   1HD2  ASN 278          1HD2      ASN 278  -9.303  -0.187  -0.187
  220   2HD2  ASN 278          2HD2      ASN 278 -10.255  -1.578  -1.578
  221    H    LEU 279           H        LEU 279  -5.310  -2.672  -2.672
  222    HA   LEU 279           HA       LEU 279  -2.625  -2.302  -2.302
  223   1HB   LEU 279          2HB       LEU 279  -3.304  -3.312  -3.312
  224   2HB   LEU 279          1HB       LEU 279  -1.677  -3.190  -3.190
  225    HG   LEU 279           HG       LEU 279  -3.599  -0.883  -0.883
  226   1HD1  LEU 279          1HD1      LEU 279  -2.198  -2.101  -2.101
  227   2HD1  LEU 279          3HD1      LEU 279  -0.914  -1.077  -1.077
  228   3HD1  LEU 279          2HD1      LEU 279  -2.402  -0.350  -0.350
  229   1HD2  LEU 279          2HD2      LEU 279  -1.248  -1.212  -1.212
  230   2HD2  LEU 279          1HD2      LEU 279  -2.364   0.150   0.150
  231   3HD2  LEU 279          3HD2      LEU 279  -0.996   0.050   0.050
  232    H    ALA 280           H        ALA 280  -1.769  -4.065  -4.065
  233    HA   ALA 280           HA       ALA 280  -3.299  -6.618  -6.618
  234   1HB   ALA 280          1HB       ALA 280  -1.455  -5.510  -5.510
  235   2HB   ALA 280          3HB       ALA 280  -2.030  -7.177  -7.177
  236   3HB   ALA 280          2HB       ALA 280  -3.181  -5.848  -5.848
  237    H    LEU 281           H        LEU 281  -2.123  -7.010  -7.010
  238    HA   LEU 281           HA       LEU 281   0.705  -7.250  -7.250
  239   1HB   LEU 281          2HB       LEU 281  -1.611  -8.376  -8.376
  240   2HB   LEU 281          1HB       LEU 281  -0.030  -9.114  -9.114
  241    HG   LEU 281           HG       LEU 281  -0.400  -7.304  -7.304
  242   1HD1  LEU 281          3HD1      LEU 281   1.840  -7.688  -7.688
  243   2HD1  LEU 281          2HD1      LEU 281   1.549  -5.961  -5.961
  244   3HD1  LEU 281          1HD1      LEU 281   1.764  -6.630  -6.630
  245   1HD2  LEU 281          2HD2      LEU 281  -0.835  -5.681  -5.681
  246   2HD2  LEU 281          1HD2      LEU 281  -1.929  -5.870  -5.870
  247   3HD2  LEU 281          3HD2      LEU 281  -0.445  -4.933  -4.933
  248    H    ASN 282           H        ASN 282   2.097  -8.774  -8.774
  249    HA   ASN 282           HA       ASN 282   0.999 -10.930 -10.930
  250   1HB   ASN 282          2HB       ASN 282   3.927 -10.527 -10.527
  251   2HB   ASN 282          1HB       ASN 282   3.156 -11.125 -11.125
  252   1HD2  ASN 282          1HD2      ASN 282   4.573  -8.367  -8.367
  253   2HD2  ASN 282          2HD2      ASN 282   3.924  -7.204  -7.204
  254    H    GLY 283           H        GLY 283   1.350 -13.158 -13.158
  255   1HA   GLY 283          2HA       GLY 283   1.691 -15.079 -15.079
  256   2HA   GLY 283          1HA       GLY 283   2.901 -14.159 -14.159
  257    H    SER 284           H        SER 284   2.191 -14.908 -14.908
  258    HA   SER 284           HA       SER 284  -0.595 -14.171 -14.171
  259   1HB   SER 284          2HB       SER 284   1.440 -15.964 -15.964
  260   2HB   SER 284          1HB       SER 284  -0.163 -15.607 -15.607
  261    HG   SER 284           HG       SER 284  -0.722 -16.327 -16.327
  262    H    GLN 285           H        GLN 285   1.042 -11.988 -11.988
  263    HA   GLN 285           HA       GLN 285   2.474 -11.301 -11.301
  264   1HB   GLN 285          2HB       GLN 285   1.429  -9.752  -9.752
  265   2HB   GLN 285          1HB       GLN 285   2.085  -8.902  -8.902
  266   1HG   GLN 285          2HG       GLN 285   4.212 -10.008 -10.008
  267   2HG   GLN 285          1HG       GLN 285   3.573 -11.103 -11.103
  268   1HE2  GLN 285          1HE2      GLN 285   5.449  -8.378  -8.378
  269   2HE2  GLN 285          2HE2      GLN 285   5.158  -7.667  -7.667
  270    H    THR 286           H        THR 286   1.781  -9.892  -9.892
  271    HA   THR 286           HA       THR 286  -1.139  -9.320  -9.320
  272    HB   THR 286           HB       THR 286  -1.362 -10.269 -10.269
  273    HG1  THR 286           HG1      THR 286   0.299 -10.586 -10.586
  274   1HG2  THR 286          2HG2      THR 286  -0.784 -11.799 -11.799
  275   2HG2  THR 286          1HG2      THR 286   0.306 -12.462 -12.462
  276   3HG2  THR 286          3HG2      THR 286  -1.431 -12.418 -12.418
  277    H    ILE 287           H        ILE 287  -1.642  -7.472  -7.472
  278    HA   ILE 287           HA       ILE 287   0.688  -5.727  -5.727
  279    HB   ILE 287           HB       ILE 287  -2.253  -5.014  -5.014
  280   1HG1  ILE 287          2HG1      ILE 287  -1.718  -5.915  -5.915
  281   2HG1  ILE 287          1HG1      ILE 287  -1.965  -4.170  -4.170
  282   1HG2  ILE 287          2HG2      ILE 287   0.323  -3.582  -3.582
  283   2HG2  ILE 287          1HG2      ILE 287  -0.867  -2.802  -2.802
  284   3HG2  ILE 287          3HG2      ILE 287  -1.265  -3.158  -3.158
  285   1HD1  ILE 287          2HD1      ILE 287   0.754  -5.482  -5.482
  286   2HD1  ILE 287          1HD1      ILE 287   0.058  -4.958  -4.958
  287   3HD1  ILE 287          3HD1      ILE 287   0.426  -3.772  -3.772
  288    H    GLN 288           H        GLN 288   1.252  -5.120  -5.120
  289    HA   GLN 288           HA       GLN 288  -0.496  -6.125  -6.125
  290   1HB   GLN 288          2HB       GLN 288   1.898  -7.147  -7.147
  291   2HB   GLN 288          1HB       GLN 288   2.449  -5.679  -5.679
  292   1HG   GLN 288          2HG       GLN 288   0.206  -6.979  -6.979
  293   2HG   GLN 288          1HG       GLN 288   1.646  -7.993  -7.993
  294   1HE2  GLN 288          1HE2      GLN 288   3.737  -6.930  -6.930
  295   2HE2  GLN 288          2HE2      GLN 288   3.636  -5.780  -5.780
  296    H    ALA 289           H        ALA 289   0.081  -3.391  -3.391
  297    HA   ALA 289           HA       ALA 289  -0.472  -1.736  -1.736
  298   1HB   ALA 289          2HB       ALA 289   2.315  -1.987  -1.987
  299   2HB   ALA 289          1HB       ALA 289   1.745  -0.339  -0.339
  300   3HB   ALA 289          3HB       ALA 289   1.721  -1.502  -1.502
  301    H    SER 290           H        SER 290  -1.010   0.445   0.445
  302    HA   SER 290           HA       SER 290  -0.710   1.298   1.298
  303   1HB   SER 290          2HB       SER 290  -2.850   0.959   0.959
  304   2HB   SER 290          1HB       SER 290  -2.680  -0.477  -0.477
  305    HG   SER 290           HG       SER 290  -4.362   0.259   0.259
  306    H    TRP 291           H        TRP 291  -0.668   3.496   3.496
  307    HA   TRP 291           HA       TRP 291  -2.201   4.849   4.849
  308   1HB   TRP 291          2HB       TRP 291  -0.273   6.551   6.551
  309   2HB   TRP 291          1HB       TRP 291   0.063   4.995   4.995
  310    HD1  TRP 291           HD1      TRP 291   0.801   7.033   7.033
  311    HE1  TRP 291           HE1      TRP 291   2.792   5.962   5.962
  312    HE3  TRP 291           HE3      TRP 291   1.355   2.762   2.762
  313    HZ2  TRP 291           HZ2      TRP 291   4.405   3.604   3.604
  314    HZ3  TRP 291           HZ3      TRP 291   3.124   1.123   1.123
  315    HH2  TRP 291           HH2      TRP 291   4.648   1.538   1.538
  316    H    ASN 292           H        ASN 292  -3.246   6.757   6.757
  317    HA   ASN 292           HA       ASN 292  -4.087   8.412   8.412
  318   1HB   ASN 292          2HB       ASN 292  -1.594   8.709   8.709
  319   2HB   ASN 292          1HB       ASN 292  -1.864   7.675   7.675
  320   1HD2  ASN 292          1HD2      ASN 292  -2.123  10.907  10.907
  321   2HD2  ASN 292          2HD2      ASN 292  -2.985  11.548  11.548
  322    H    ALA 293           H        ALA 293  -4.478   5.336   5.336
  323    HA   ALA 293           HA       ALA 293  -6.514   5.376   5.376
  324   1HB   ALA 293          3HB       ALA 293  -3.778   4.887   4.887
  325   2HB   ALA 293          2HB       ALA 293  -5.057   3.827   3.827
  326   3HB   ALA 293          1HB       ALA 293  -5.191   5.573   5.573
  327    H    ASN 294           H        ASN 294  -7.507   3.288   3.288
  328    HA   ASN 294           HA       ASN 294  -6.397   1.264   1.264
  329   1HB   ASN 294          2HB       ASN 294  -9.257   1.586   1.586
  330   2HB   ASN 294          1HB       ASN 294  -8.688   0.479   0.479
  331   1HD2  ASN 294          1HD2      ASN 294  -8.741   4.007   4.007
  332   2HD2  ASN 294          2HD2      ASN 294  -8.876   4.498   4.498
  333    H    VAL 295           H        VAL 295  -6.192  -0.881  -0.881
  334    HA   VAL 295           HA       VAL 295  -6.704  -1.321  -1.321
  335    HB   VAL 295           HB       VAL 295  -4.563  -2.651  -2.651
  336   1HG1  VAL 295          3HG1      VAL 295  -5.580  -3.629  -3.629
  337   2HG1  VAL 295          2HG1      VAL 295  -4.570  -2.396  -2.396
  338   3HG1  VAL 295          1HG1      VAL 295  -3.835  -3.640  -3.640
  339   1HG2  VAL 295          2HG2      VAL 295  -4.659  -0.028  -0.028
  340   2HG2  VAL 295          1HG2      VAL 295  -3.541  -0.622  -0.622
  341   3HG2  VAL 295          3HG2      VAL 295  -3.279  -1.021  -1.021
  342    H    THR 296           H        THR 296  -8.195  -2.880  -2.880
  343    HA   THR 296           HA       THR 296  -8.348  -5.233  -5.233
  344    HB   THR 296           HB       THR 296 -10.967  -4.826  -4.826
  345    HG1  THR 296           HG1      THR 296 -11.042  -2.387  -2.387
  346   1HG2  THR 296          2HG2      THR 296  -9.103  -4.718  -4.718
  347   2HG2  THR 296          1HG2      THR 296  -9.631  -3.035  -3.035
  348   3HG2  THR 296          3HG2      THR 296 -10.799  -4.329  -4.329
  349    H    GLY 297           H        GLY 297 -10.577  -6.448  -6.448
  350   1HA   GLY 297          2HA       GLY 297 -11.667  -6.942  -6.942
  351   2HA   GLY 297          1HA       GLY 297 -10.173  -6.438  -6.438
  352    H    SER 298           H        SER 298 -11.780  -9.097  -9.097
  353    HA   SER 298           HA       SER 298  -9.556 -10.830 -10.830
  354   1HB   SER 298          2HB       SER 298 -11.628 -12.521 -12.521
  355   2HB   SER 298          1HB       SER 298 -11.328 -11.872 -11.872
  356    HG   SER 298           HG       SER 298 -13.495 -11.549 -11.549
  357    H    GLY 299           H        GLY 299  -9.157 -12.821 -12.821
  358   1HA   GLY 299          2HA       GLY 299  -9.286 -13.861 -13.861
  359   2HA   GLY 299          1HA       GLY 299  -9.612 -12.264 -12.264
  360    H    SER 300           H        SER 300  -7.740 -12.930 -12.930
  361    HA   SER 300           HA       SER 300  -5.084 -12.841 -12.841
  362   1HB   SER 300          2HB       SER 300  -6.138 -13.453 -13.453
  363   2HB   SER 300          1HB       SER 300  -4.491 -12.837 -12.837
  364    HG   SER 300           HG       SER 300  -5.513 -14.997 -14.997
  365    H    THR 301           H        THR 301  -7.330 -10.662 -10.662
  366    HA   THR 301           HA       THR 301  -5.252  -8.671  -8.671
  367    HB   THR 301           HB       THR 301  -7.504  -7.299  -7.299
  368    HG1  THR 301           HG1      THR 301  -9.238  -8.509  -8.509
  369   1HG2  THR 301          2HG2      THR 301  -5.941  -9.183  -9.183
  370   2HG2  THR 301          1HG2      THR 301  -7.585  -8.966  -8.966
  371   3HG2  THR 301          3HG2      THR 301  -6.524  -7.570  -7.570
  372    H    ARG 302           H        ARG 302  -5.752  -6.361  -6.361
  373    HA   ARG 302           HA       ARG 302  -6.759  -6.450  -6.450
  374   1HB   ARG 302          2HB       ARG 302  -3.999  -5.774  -5.774
  375   2HB   ARG 302          1HB       ARG 302  -4.683  -4.804  -4.804
  376   1HG   ARG 302          2HG       ARG 302  -5.051  -7.738  -7.738
  377   2HG   ARG 302          1HG       ARG 302  -3.393  -7.156  -7.156
  378   1HD   ARG 302          2HD       ARG 302  -4.244  -5.463  -5.463
  379   2HD   ARG 302          1HD       ARG 302  -5.808  -6.274  -6.274
  380    HE   ARG 302           HE       ARG 302  -3.314  -7.433  -7.433
  381   1HH1  ARG 302          1HH1      ARG 302  -6.186  -6.900  -6.900
  382   2HH1  ARG 302          2HH1      ARG 302  -6.711  -8.538  -8.538
  383   1HH2  ARG 302          1HH2      ARG 302  -4.192  -9.868  -9.868
  384   2HH2  ARG 302          2HH2      ARG 302  -5.583 -10.218 -10.218
  385    H    THR 303           H        THR 303  -7.236  -4.233  -4.233
  386    HA   THR 303           HA       THR 303  -7.462  -2.167  -2.167
  387    HB   THR 303           HB       THR 303  -9.763  -3.263  -3.263
  388    HG1  THR 303           HG1      THR 303 -10.346  -4.083  -4.083
  389   1HG2  THR 303          2HG2      THR 303  -9.652  -0.781  -0.781
  390   2HG2  THR 303          1HG2      THR 303 -11.108  -1.449  -1.449
  391   3HG2  THR 303          3HG2      THR 303  -9.821  -0.802  -0.802
  392    H    VAL 304           H        VAL 304  -7.959  -0.010  -0.010
  393    HA   VAL 304           HA       VAL 304  -7.475   0.211   0.211
  394    HB   VAL 304           HB       VAL 304  -5.838   1.556   1.556
  395   1HG1  VAL 304          1HG1      VAL 304  -6.565   3.115   3.115
  396   2HG1  VAL 304          3HG1      VAL 304  -5.724   2.054   2.054
  397   3HG1  VAL 304          2HG1      VAL 304  -4.819   2.896   2.896
  398   1HG2  VAL 304          3HG2      VAL 304  -5.474  -0.723  -0.723
  399   2HG2  VAL 304          2HG2      VAL 304  -4.454  -0.174  -0.174
  400   3HG2  VAL 304          1HG2      VAL 304  -4.235   0.498   0.498
  401    H    THR 305           H        THR 305  -8.440   2.061   2.061
  402    HA   THR 305           HA       THR 305  -9.797   3.931   3.931
  403    HB   THR 305           HB       THR 305 -11.812   3.830   3.830
  404    HG1  THR 305           HG1      THR 305 -11.785   1.602   1.602
  405   1HG2  THR 305          2HG2      THR 305 -11.203   2.376   2.376
  406   2HG2  THR 305          1HG2      THR 305 -11.544   1.087   1.087
  407   3HG2  THR 305          3HG2      THR 305 -12.765   2.314   2.314
  408    HA   PRO 306           HA       PRO 306  -8.254   6.902   6.902
  409   1HB   PRO 306          2HB       PRO 306  -9.833   9.017   9.017
  410   2HB   PRO 306          1HB       PRO 306  -8.447   8.437   8.437
  411   1HG   PRO 306          2HG       PRO 306 -11.360   8.074   8.074
  412   2HG   PRO 306          1HG       PRO 306 -10.006   8.101   8.101
  413   1HD   PRO 306          2HD       PRO 306 -11.331   5.784   5.784
  414   2HD   PRO 306          1HD       PRO 306  -9.776   5.822   5.822
  415    H    ASN 307           H        ASN 307  -8.886   7.980   7.980
  416    HA   ASN 307           HA       ASN 307 -11.642   7.286   7.286
  417   1HB   ASN 307          2HB       ASN 307 -10.642   7.387   7.387
  418   2HB   ASN 307          1HB       ASN 307  -9.955   6.113   6.113
  419   1HD2  ASN 307          1HD2      ASN 307  -9.238   9.088   9.088
  420   2HD2  ASN 307          2HD2      ASN 307  -7.589   9.149   9.149
  421    H    GLY 308           H        GLY 308  -9.581   9.839   9.839
  422   1HA   GLY 308          2HA       GLY 308 -10.712  12.073  12.073
  423   2HA   GLY 308          1HA       GLY 308 -11.311  11.753  11.753
  424    H    SER 309           H        SER 309  -8.107  11.609  11.609
  425    HA   SER 309           HA       SER 309  -7.081  13.400  13.400
  426   1HB   SER 309          2HB       SER 309  -5.869  10.786  10.786
  427   2HB   SER 309          1HB       SER 309  -4.986  11.979  11.979
  428    HG   SER 309           HG       SER 309  -6.057  11.377  11.377
  429    H    GLY 310           H        GLY 310  -5.962  11.725  11.725
  430   1HA   GLY 310          2HA       GLY 310  -5.547  14.214  14.214
  431   2HA   GLY 310          1HA       GLY 310  -4.023  13.570  13.570
  432    H    ASN 311           H        ASN 311  -3.175  13.009  13.009
  433    HA   ASN 311           HA       ASN 311  -4.573  10.721  10.721
  434   1HB   ASN 311          2HB       ASN 311  -2.887  12.622  12.622
  435   2HB   ASN 311          1HB       ASN 311  -4.227  11.605  11.605
  436   1HD2  ASN 311          1HD2      ASN 311  -3.632  14.730  14.730
  437   2HD2  ASN 311          2HD2      ASN 311  -5.108  15.356  15.356
  438    H    THR 312           H        THR 312  -2.125  11.288  11.288
  439    HA   THR 312           HA       THR 312  -0.220   9.584   9.584
  440    HB   THR 312           HB       THR 312   0.667  11.392  11.392
  441    HG1  THR 312           HG1      THR 312  -0.484  12.649  12.649
  442   1HG2  THR 312          3HG2      THR 312   1.928  10.108  10.108
  443   2HG2  THR 312          2HG2      THR 312   2.735  11.380  11.380
  444   3HG2  THR 312          1HG2      THR 312   2.330   9.851   9.851
  445    H    PHE 313           H        PHE 313  -0.356   7.559   7.559
  446    HA   PHE 313           HA       PHE 313  -0.270   7.296   7.296
  447   1HB   PHE 313          2HB       PHE 313  -1.848   5.366   5.366
  448   2HB   PHE 313          1HB       PHE 313  -2.589   6.898   6.898
  449    HD1  PHE 313           HD1      PHE 313  -2.347   7.529   7.529
  450    HD2  PHE 313           HD2      PHE 313  -2.057   3.546   3.546
  451    HE1  PHE 313           HE1      PHE 313  -2.877   6.601   6.601
  452    HE2  PHE 313           HE2      PHE 313  -2.587   2.618   2.618
  453    HZ   PHE 313           HZ       PHE 313  -2.996   4.145   4.145
  454    H    GLY 314           H        GLY 314   0.452   5.035   5.035
  455   1HA   GLY 314          2HA       GLY 314   2.214   3.852   3.852
  456   2HA   GLY 314          1HA       GLY 314   2.806   4.121   4.121
  457    H    VAL 315           H        VAL 315   2.757   1.549   1.549
  458    HA   VAL 315           HA       VAL 315   0.785   0.211   0.211
  459    HB   VAL 315           HB       VAL 315   0.434  -1.517  -1.517
  460   1HG1  VAL 315          1HG1      VAL 315  -0.925   0.710   0.710
  461   2HG1  VAL 315          3HG1      VAL 315  -0.158   1.150   1.150
  462   3HG1  VAL 315          2HG1      VAL 315  -1.179  -0.285  -0.285
  463   1HG2  VAL 315          1HG2      VAL 315   2.550   0.070   0.070
  464   2HG2  VAL 315          3HG2      VAL 315   2.059  -1.598  -1.598
  465   3HG2  VAL 315          2HG2      VAL 315   1.189  -0.270  -0.270
  466    H    THR 316           H        THR 316   1.473  -1.977  -1.977
  467    HA   THR 316           HA       THR 316   4.446  -2.274  -2.274
  468    HB   THR 316           HB       THR 316   2.470  -3.073  -3.073
  469    HG1  THR 316           HG1      THR 316   3.226  -0.935  -0.935
  470   1HG2  THR 316          1HG2      THR 316   5.356  -3.852  -3.852
  471   2HG2  THR 316          3HG2      THR 316   4.610  -3.870  -3.870
  472   3HG2  THR 316          2HG2      THR 316   3.977  -4.905  -4.905
  473    H    VAL 317           H        VAL 317   4.544  -3.620  -3.620
  474    HA   VAL 317           HA       VAL 317   2.834  -6.011  -6.011
  475    HB   VAL 317           HB       VAL 317   5.049  -4.949  -4.949
  476   1HG1  VAL 317          3HG1      VAL 317   3.370  -7.461  -7.461
  477   2HG1  VAL 317          2HG1      VAL 317   4.243  -6.759  -6.759
  478   3HG1  VAL 317          1HG1      VAL 317   5.129  -7.349  -7.349
  479   1HG2  VAL 317          2HG2      VAL 317   2.037  -5.179  -5.179
  480   2HG2  VAL 317          1HG2      VAL 317   2.968  -3.689  -3.689
  481   3HG2  VAL 317          3HG2      VAL 317   3.126  -4.677  -4.677
  482    H    MET 318           H        MET 318   3.622  -8.160  -8.160
  483    HA   MET 318           HA       MET 318   6.214  -8.372  -8.372
  484   1HB   MET 318          2HB       MET 318   3.992 -10.427 -10.427
  485   2HB   MET 318          1HB       MET 318   5.361 -10.410 -10.410
  486   1HG   MET 318          2HG       MET 318   3.059  -8.443  -8.443
  487   2HG   MET 318          1HG       MET 318   3.437  -9.580  -9.580
  488   1HE   MET 318          2HE       MET 318   5.869  -9.774  -9.774
  489   2HE   MET 318          1HE       MET 318   6.622  -8.381  -8.381
  490   3HE   MET 318          3HE       MET 318   5.010  -8.912  -8.912
  491    H    LYS 319           H        LYS 319   7.887  -9.379  -9.379
  492    HA   LYS 319           HA       LYS 319   7.970 -10.081 -10.081
  493   1HB   LYS 319          2HB       LYS 319   9.484 -11.389 -11.389
  494   2HB   LYS 319          1HB       LYS 319   9.910 -11.540 -11.540
  495   1HG   LYS 319          2HG       LYS 319   9.687  -8.889  -8.889
  496   2HG   LYS 319          1HG       LYS 319  11.205  -9.755  -9.755
  497   1HD   LYS 319          2HD       LYS 319  10.810  -9.705  -9.705
  498   2HD   LYS 319          1HD       LYS 319   9.361  -8.739  -8.739
  499   1HE   LYS 319          2HE       LYS 319  10.800  -6.985  -6.985
  500   2HE   LYS 319          1HE       LYS 319  11.178  -7.314  -7.314
  501   1HZ   LYS 319          1HZ       LYS 319  12.655  -9.039  -9.039
  502   2HZ   LYS 319          3HZ       LYS 319  12.902  -7.432  -7.432
  503   3HZ   LYS 319          2HZ       LYS 319  13.224  -7.894  -7.894
  504    H    ASN 320           H        ASN 320   7.853 -12.602 -12.602
  505    HA   ASN 320           HA       ASN 320   6.909 -14.751 -14.751
  506   1HB   ASN 320          2HB       ASN 320   4.886 -13.036 -13.036
  507   2HB   ASN 320          1HB       ASN 320   4.626 -14.770 -14.770
  508   1HD2  ASN 320          1HD2      ASN 320   2.814 -13.133 -13.133
  509   2HD2  ASN 320          2HD2      ASN 320   3.104 -13.132 -13.132
  510    H    GLY 321           H        GLY 321   8.915 -14.181 -14.181
  511   1HA   GLY 321          2HA       GLY 321   9.796 -15.572 -15.572
  512   2HA   GLY 321          1HA       GLY 321   8.191 -16.270 -16.270
  513    H    SER 322           H        SER 322   8.566 -12.807 -12.807
  514    HA   SER 322           HA       SER 322   8.610 -12.567 -12.567
  515   1HB   SER 322          2HB       SER 322   6.160 -12.590 -12.590
  516   2HB   SER 322          1HB       SER 322   6.460 -10.917 -10.917
  517    HG   SER 322           HG       SER 322   6.809 -13.046 -13.046
  518    H    SER 323           H        SER 323   8.222 -10.005 -10.005
  519    HA   SER 323           HA       SER 323   9.215  -8.262  -8.262
  520   1HB   SER 323          2HB       SER 323  11.142  -8.008  -8.008
  521   2HB   SER 323          1HB       SER 323  11.425  -8.318  -8.318
  522    HG   SER 323           HG       SER 323  11.540 -10.009 -10.009
  523    H    THR 324           H        THR 324   8.907  -8.683  -8.683
  524    HA   THR 324           HA       THR 324   8.780  -6.109  -6.109
  525    HB   THR 324           HB       THR 324   6.529  -7.881  -7.881
  526    HG1  THR 324           HG1      THR 324   9.257  -8.472  -8.472
  527   1HG2  THR 324          3HG2      THR 324   8.672  -6.222  -6.222
  528   2HG2  THR 324          2HG2      THR 324   7.622  -7.300  -7.300
  529   3HG2  THR 324          1HG2      THR 324   6.929  -5.953  -5.953
  530    H    THR 325           H        THR 325   7.681  -4.339  -4.339
  531    HA   THR 325           HA       THR 325   5.610  -4.427  -4.427
  532    HB   THR 325           HB       THR 325   5.164  -2.019  -2.019
  533    HG1  THR 325           HG1      THR 325   6.393  -2.217  -2.217
  534   1HG2  THR 325          2HG2      THR 325   7.109  -3.120  -3.120
  535   2HG2  THR 325          1HG2      THR 325   7.620  -1.580  -1.580
  536   3HG2  THR 325          3HG2      THR 325   6.075  -1.699  -1.699
  537    HA   PRO 326           HA       PRO 326   1.977  -5.094  -5.094
  538   1HB   PRO 326          2HB       PRO 326   0.200  -3.455  -3.455
  539   2HB   PRO 326          1HB       PRO 326   0.788  -4.991  -4.991
  540   1HG   PRO 326          2HG       PRO 326   1.521  -2.213  -2.213
  541   2HG   PRO 326          1HG       PRO 326   1.577  -3.695  -3.695
  542   1HD   PRO 326          2HD       PRO 326   3.793  -2.420  -2.420
  543   2HD   PRO 326          1HD       PRO 326   3.776  -4.058  -4.058
  544    H    ALA 327           H        ALA 327   0.190  -3.906  -3.906
  545    HA   ALA 327           HA       ALA 327   1.358  -1.447  -1.447
  546   1HB   ALA 327          2HB       ALA 327   0.678  -3.698  -3.698
  547   2HB   ALA 327          1HB       ALA 327  -0.902  -2.915  -2.915
  548   3HB   ALA 327          3HB       ALA 327   0.479  -2.110  -2.110
  549    H    ALA 328           H        ALA 328   0.375   0.420   0.420
  550    HA   ALA 328           HA       ALA 328  -2.339   0.285   0.285
  551   1HB   ALA 328          3HB       ALA 328  -0.150   2.344   2.344
  552   2HB   ALA 328          2HB       ALA 328  -1.801   2.815   2.815
  553   3HB   ALA 328          1HB       ALA 328  -0.962   1.613   1.613
  554    H    THR 329           H        THR 329  -4.088   1.493   1.493
  555    HA   THR 329           HA       THR 329  -3.685   2.893   2.893
  556    HB   THR 329           HB       THR 329  -5.687   1.714   1.714
  557    HG1  THR 329           HG1      THR 329  -5.307  -0.230  -0.230
  558   1HG2  THR 329          2HG2      THR 329  -3.096   0.941   0.941
  559   2HG2  THR 329          1HG2      THR 329  -3.824  -0.493  -0.493
  560   3HG2  THR 329          3HG2      THR 329  -4.371   0.074   0.074
  561    H    CYS 330           H        CYS 330  -4.763   4.804   4.804
  562    HA   CYS 330           HA       CYS 330  -6.616   5.313   5.313
  563   1HB   CYS 330          2HB       CYS 330  -6.458   7.620   7.620
  564   2HB   CYS 330          1HB       CYS 330  -4.840   6.957   6.957
  565    H    ALA 331           H        ALA 331  -8.806   5.236   5.236
  566    HA   ALA 331           HA       ALA 331 -10.038   5.555   5.555
  567   1HB   ALA 331          2HB       ALA 331 -10.159   3.107   3.107
  568   2HB   ALA 331          1HB       ALA 331 -11.557   3.535   3.535
  569   3HB   ALA 331          3HB       ALA 331 -10.000   3.222   3.222
  570    H    GLY 332           H        GLY 332 -11.881   6.769   6.769
  571   1HA   GLY 332          2HA       GLY 332 -14.047   7.111   7.111
  572   2HA   GLY 332          1HA       GLY 332 -13.079   7.117   7.117
  573    H    SER 333           HN       SER 333 -12.303   8.699   8.699
  574    HA   SER 333           HA       SER 333 -12.629  11.333  11.333
  575   1HB   SER 333          2HB       SER 333 -10.555  12.104  12.104
  576   2HB   SER 333          1HB       SER 333 -10.236  10.731  10.731
  577    HG   SER 333           HG       SER 333 -10.595   9.458   9.458

  Start of MODEL    2
    1   1H    THR 247          3H        THR 247 -13.033  11.374  11.374
    2   2H    THR 247          2H        THR 247 -12.599  11.909  11.909
    3   3H    THR 247          1H        THR 247 -12.067  10.395  10.395
    4    HA   THR 247           HA       THR 247 -10.208  11.770  11.770
    5    HB   THR 247           HB       THR 247 -10.474  13.975  13.975
    6    HG1  THR 247           HG1      THR 247 -12.751  13.136  13.136
    7   1HG2  THR 247          1HG2      THR 247 -11.606  13.402  13.402
    8   2HG2  THR 247          3HG2      THR 247 -11.668  15.041  15.041
    9   3HG2  THR 247          2HG2      THR 247 -10.113  14.238  14.238
   10    H    GLY 248           H        GLY 248  -9.263  10.405  10.405
   11   1HA   GLY 248          2HA       GLY 248 -10.361  10.364  10.364
   12   2HA   GLY 248          1HA       GLY 248  -9.417   9.057   9.057
   13    H    CYS 249           H        CYS 249  -7.256   9.046   9.046
   14    HA   CYS 249           HA       CYS 249  -5.647  11.414  11.414
   15   1HB   CYS 249          2HB       CYS 249  -5.293  11.610  11.610
   16   2HB   CYS 249          1HB       CYS 249  -7.037  11.425  11.425
   17    H    SER 250           H        SER 250  -3.453  10.722  10.722
   18    HA   SER 250           HA       SER 250  -2.824   7.986   7.986
   19   1HB   SER 250          2HB       SER 250  -1.704  10.245  10.245
   20   2HB   SER 250          1HB       SER 250  -0.673   9.993   9.993
   21    HG   SER 250           HG       SER 250  -0.043   8.051   8.051
   22    H    VAL 251           H        VAL 251  -0.771   7.096   7.096
   23    HA   VAL 251           HA       VAL 251  -1.024   7.613   7.613
   24    HB   VAL 251           HB       VAL 251  -0.377   4.864   4.864
   25   1HG1  VAL 251          2HG1      VAL 251  -0.870   6.079   6.079
   26   2HG1  VAL 251          1HG1      VAL 251  -2.411   5.303   5.303
   27   3HG1  VAL 251          3HG1      VAL 251  -0.935   4.343   4.343
   28   1HG2  VAL 251          2HG2      VAL 251  -2.335   5.668   5.668
   29   2HG2  VAL 251          1HG2      VAL 251  -2.668   4.259   4.259
   30   3HG2  VAL 251          3HG2      VAL 251  -3.236   5.854   5.854
   31    H    THR 252           H        THR 252   0.944   6.646   6.646
   32    HA   THR 252           HA       THR 252   3.383   6.493   6.493
   33    HB   THR 252           HB       THR 252   4.302   8.178   8.178
   34    HG1  THR 252           HG1      THR 252   2.454   8.800   8.800
   35   1HG2  THR 252          3HG2      THR 252   3.677   8.279   8.279
   36   2HG2  THR 252          2HG2      THR 252   3.306   9.843   9.843
   37   3HG2  THR 252          1HG2      THR 252   4.925   9.163   9.163
   38    H    ALA 253           H        ALA 253   4.316   4.657   4.657
   39    HA   ALA 253           HA       ALA 253   4.345   4.239   4.239
   40   1HB   ALA 253          2HB       ALA 253   3.848   2.243   2.243
   41   2HB   ALA 253          1HB       ALA 253   4.348   1.744   1.744
   42   3HB   ALA 253          3HB       ALA 253   2.823   2.601   2.601
   43    H    THR 254           H        THR 254   6.270   3.246   3.246
   44    HA   THR 254           HA       THR 254   8.443   2.479   2.479
   45    HB   THR 254           HB       THR 254   9.251   4.813   4.813
   46    HG1  THR 254           HG1      THR 254   8.463   6.249   6.249
   47   1HG2  THR 254          3HG2      THR 254  10.792   3.545   3.545
   48   2HG2  THR 254          2HG2      THR 254   9.795   3.984   3.984
   49   3HG2  THR 254          1HG2      THR 254  10.653   5.235   5.235
   50    H    ARG 255           H        ARG 255  10.368   1.818   1.818
   51    HA   ARG 255           HA       ARG 255   9.531   0.902   0.902
   52   1HB   ARG 255          2HB       ARG 255  11.625   0.052   0.052
   53   2HB   ARG 255          1HB       ARG 255  11.829  -0.358  -0.358
   54   1HG   ARG 255          2HG       ARG 255   9.158  -0.968  -0.968
   55   2HG   ARG 255          1HG       ARG 255  10.016  -1.514  -1.514
   56   1HD   ARG 255          2HD       ARG 255  11.415  -2.184  -2.184
   57   2HD   ARG 255          1HD       ARG 255   9.821  -2.929  -2.929
   58    HE   ARG 255           HE       ARG 255  10.744  -3.601  -3.601
   59   1HH1  ARG 255          1HH1      ARG 255  13.516  -2.706  -2.706
   60   2HH1  ARG 255          2HH1      ARG 255  14.200  -4.220  -4.220
   61   1HH2  ARG 255          1HH2      ARG 255  11.152  -5.871  -5.871
   62   2HH2  ARG 255          2HH2      ARG 255  12.862  -6.011  -6.011
   63    H    ALA 256           H        ALA 256  10.516   1.640   1.640
   64    HA   ALA 256           HA       ALA 256  12.732   3.618   3.618
   65   1HB   ALA 256          3HB       ALA 256  10.592   4.619   4.619
   66   2HB   ALA 256          2HB       ALA 256  10.639   3.547   3.547
   67   3HB   ALA 256          1HB       ALA 256  11.887   4.775   4.775
   68    H    GLU 257           H        GLU 257  11.344   1.725   1.725
   69    HA   GLU 257           HA       GLU 257  14.143   1.014   1.014
   70   1HB   GLU 257          2HB       GLU 257  11.672   0.790   0.790
   71   2HB   GLU 257          1HB       GLU 257  13.359   0.754   0.754
   72   1HG   GLU 257          2HG       GLU 257  13.662   3.061   3.061
   73   2HG   GLU 257          1HG       GLU 257  12.195   3.151   3.151
   74    H    GLU 258           H        GLU 258  14.712  -1.022  -1.022
   75    HA   GLU 258           HA       GLU 258  12.555  -3.072  -3.072
   76   1HB   GLU 258          2HB       GLU 258  15.368  -3.265  -3.265
   77   2HB   GLU 258          1HB       GLU 258  13.961  -4.229  -4.229
   78   1HG   GLU 258          2HG       GLU 258  12.969  -2.462  -2.462
   79   2HG   GLU 258          1HG       GLU 258  13.921  -1.239  -1.239
   80    H    TRP 259           H        TRP 259  12.635  -4.884  -4.884
   81    HA   TRP 259           HA       TRP 259  15.019  -5.149  -5.149
   82   1HB   TRP 259          2HB       TRP 259  12.074  -5.469  -5.469
   83   2HB   TRP 259          1HB       TRP 259  13.286  -6.248  -6.248
   84    HD1  TRP 259           HD1      TRP 259  15.366  -4.384  -4.384
   85    HE1  TRP 259           HE1      TRP 259  14.998  -2.037  -2.037
   86    HE3  TRP 259           HE3      TRP 259  10.548  -3.541  -3.541
   87    HZ2  TRP 259           HZ2      TRP 259  12.933  -0.064  -0.064
   88    HZ3  TRP 259           HZ3      TRP 259   9.406  -1.423  -1.423
   89    HH2  TRP 259           HH2      TRP 259  10.591   0.316   0.316
   90    H    SER 260           H        SER 260  14.660  -7.580  -7.580
   91    HA   SER 260           HA       SER 260  14.872  -9.363  -9.363
   92   1HB   SER 260          2HB       SER 260  15.317 -10.200 -10.200
   93   2HB   SER 260          1HB       SER 260  16.045 -10.853 -10.853
   94    HG   SER 260           HG       SER 260  17.194  -8.916  -8.916
   95    H    ASP 261           H        ASP 261  12.292  -8.285  -8.285
   96    HA   ASP 261           HA       ASP 261  10.912 -10.914 -10.914
   97   1HB   ASP 261          2HB       ASP 261   9.522  -9.951  -9.951
   98   2HB   ASP 261          1HB       ASP 261  11.073 -10.727 -10.727
   99    H    ARG 262           H        ARG 262  10.570  -7.368  -7.368
  100    HA   ARG 262           HA       ARG 262   8.500  -7.517  -7.517
  101   1HB   ARG 262          2HB       ARG 262   7.108  -5.871  -5.871
  102   2HB   ARG 262          1HB       ARG 262   6.970  -7.611  -7.611
  103   1HG   ARG 262          2HG       ARG 262   8.133  -7.550  -7.550
  104   2HG   ARG 262          1HG       ARG 262   9.135  -6.190  -6.190
  105   1HD   ARG 262          2HD       ARG 262   6.421  -5.297  -5.297
  106   2HD   ARG 262          1HD       ARG 262   6.775  -6.130  -6.130
  107    HE   ARG 262           HE       ARG 262   8.739  -4.113  -4.113
  108   1HH1  ARG 262          1HH2      ARG 262   5.763  -3.591  -3.591
  109   2HH1  ARG 262          2HH2      ARG 262   6.229  -3.008  -3.008
  110   1HH2  ARG 262          1HH1      ARG 262   9.537  -3.998  -3.998
  111   2HH2  ARG 262          2HH1      ARG 262   8.365  -3.237  -3.237
  112    H    PHE 263           H        PHE 263   8.078  -5.373  -5.373
  113    HA   PHE 263           HA       PHE 263  10.227  -3.396  -3.396
  114   1HB   PHE 263          2HB       PHE 263  10.168  -2.799  -2.799
  115   2HB   PHE 263          1HB       PHE 263  10.770  -4.425  -4.425
  116    HD1  PHE 263           HD1      PHE 263   7.768  -2.488  -2.488
  117    HD2  PHE 263           HD2      PHE 263   9.623  -6.354  -6.354
  118    HE1  PHE 263           HE1      PHE 263   5.973  -3.439  -3.439
  119    HE2  PHE 263           HE2      PHE 263   7.828  -7.306  -7.306
  120    HZ   PHE 263           HZ       PHE 263   6.003  -5.848  -5.848
  121    H    ASN 264           H        ASN 264   9.626  -1.137  -1.137
  122    HA   ASN 264           HA       ASN 264   6.729  -0.698  -0.698
  123   1HB   ASN 264          2HB       ASN 264   9.134   1.138   1.138
  124   2HB   ASN 264          1HB       ASN 264   7.471   1.663   1.663
  125   1HD2  ASN 264          1HD2      ASN 264   8.777   2.062   2.062
  126   2HD2  ASN 264          2HD2      ASN 264   8.607   0.809   0.809
  127    H    VAL 265           H        VAL 265   5.531   0.783   0.783
  128    HA   VAL 265           HA       VAL 265   6.830   1.482   1.482
  129    HB   VAL 265           HB       VAL 265   3.966   0.594   0.594
  130   1HG1  VAL 265          2HG1      VAL 265   6.250   0.585   0.585
  131   2HG1  VAL 265          1HG1      VAL 265   4.715  -0.224  -0.224
  132   3HG1  VAL 265          3HG1      VAL 265   4.759   1.523   1.523
  133   1HG2  VAL 265          1HG2      VAL 265   5.224  -1.187  -1.187
  134   2HG2  VAL 265          3HG2      VAL 265   4.676  -1.731  -1.731
  135   3HG2  VAL 265          2HG2      VAL 265   6.361  -1.266  -1.266
  136    H    THR 266           H        THR 266   6.243   3.500   3.500
  137    HA   THR 266           HA       THR 266   4.424   5.080   5.080
  138    HB   THR 266           HB       THR 266   6.084   6.363   6.363
  139    HG1  THR 266           HG1      THR 266   7.554   4.961   4.961
  140   1HG2  THR 266          2HG2      THR 266   4.479   7.287   7.287
  141   2HG2  THR 266          1HG2      THR 266   6.055   7.318   7.318
  142   3HG2  THR 266          3HG2      THR 266   5.803   8.212   8.212
  143    H    TYR 267           H        TYR 267   2.392   4.600   4.600
  144    HA   TYR 267           HA       TYR 267   2.018   4.927   4.927
  145   1HB   TYR 267          2HB       TYR 267   0.352   3.783   3.783
  146   2HB   TYR 267          1HB       TYR 267  -0.400   4.231   4.231
  147    HD1  TYR 267           HD2      TYR 267   2.084   2.014   2.014
  148    HD2  TYR 267           HD1      TYR 267   0.043   2.998   2.998
  149    HE1  TYR 267           HE2      TYR 267   2.882  -0.104  -0.104
  150    HE2  TYR 267           HE1      TYR 267   0.840   0.881   0.881
  151    HH   TYR 267           HH       TYR 267   1.585  -1.415  -1.415
  152    H    SER 268           H        SER 268   1.967   7.134   7.134
  153    HA   SER 268           HA       SER 268   0.003   8.735   8.735
  154   1HB   SER 268          2HB       SER 268   1.917  10.273  10.273
  155   2HB   SER 268          1HB       SER 268   1.502  10.425  10.425
  156    HG   SER 268           HG       SER 268   2.805   8.440   8.440
  157    H    VAL 269           H        VAL 269  -1.338  10.209  10.209
  158    HA   VAL 269           HA       VAL 269  -1.319   9.895   9.895
  159    HB   VAL 269           HB       VAL 269  -3.678   9.391   9.391
  160   1HG1  VAL 269          2HG1      VAL 269  -3.652  10.601  10.601
  161   2HG1  VAL 269          1HG1      VAL 269  -4.262   8.958   8.958
  162   3HG1  VAL 269          3HG1      VAL 269  -5.052  10.066  10.066
  163   1HG2  VAL 269          1HG2      VAL 269  -1.990   7.548   7.548
  164   2HG2  VAL 269          3HG2      VAL 269  -3.670   7.200   7.200
  165   3HG2  VAL 269          2HG2      VAL 269  -2.539   7.673   7.673
  166    H    SER 270           H        SER 270  -2.036  11.751  11.751
  167    HA   SER 270           HA       SER 270  -3.071  13.980  13.980
  168   1HB   SER 270          2HB       SER 270  -0.615  13.916  13.916
  169   2HB   SER 270          1HB       SER 270  -1.570  15.395  15.395
  170    HG   SER 270           HG       SER 270  -0.127  14.183  14.183
  171    H    GLY 271           H        GLY 271  -4.091  15.711  15.711
  172   1HA   GLY 271          2HA       GLY 271  -5.038  16.377  16.377
  173   2HA   GLY 271          1HA       GLY 271  -5.016  14.680  14.680
  174    H    SER 272           H        SER 272  -6.001  14.347  14.347
  175    HA   SER 272           HA       SER 272  -8.570  15.402  15.402
  176   1HB   SER 272          2HB       SER 272  -8.423  13.363  13.363
  177   2HB   SER 272          1HB       SER 272  -9.620  12.996  12.996
  178    HG   SER 272           HG       SER 272 -10.320  14.375  14.375
  179    H    SER 273           H        SER 273  -9.841  14.183  14.183
  180    HA   SER 273           HA       SER 273  -8.061  12.358  12.358
  181   1HB   SER 273          2HB       SER 273  -8.794  14.387  14.387
  182   2HB   SER 273          1HB       SER 273 -10.476  13.967  13.967
  183    HG   SER 273           HG       SER 273  -9.911  13.231  13.231
  184    H    ALA 274           H        ALA 274 -11.206  12.621  12.621
  185    HA   ALA 274           HA       ALA 274 -12.190  10.111  10.111
  186   1HB   ALA 274          3HB       ALA 274 -13.362  12.286  12.286
  187   2HB   ALA 274          2HB       ALA 274 -13.490  10.967  10.967
  188   3HB   ALA 274          1HB       ALA 274 -14.174  10.787  10.787
  189    H    TRP 275           H        TRP 275 -10.236   8.863   8.863
  190    HA   TRP 275           HA       TRP 275 -10.444   7.965   7.965
  191   1HB   TRP 275          2HB       TRP 275  -7.924   7.508   7.508
  192   2HB   TRP 275          1HB       TRP 275  -8.410   9.198   9.198
  193    HD1  TRP 275           HD1      TRP 275  -7.614  10.778  10.778
  194    HE1  TRP 275           HE1      TRP 275  -6.579  10.490  10.490
  195    HE3  TRP 275           HE3      TRP 275  -7.975   5.705   5.705
  196    HZ2  TRP 275           HZ2      TRP 275  -5.984   8.396   8.396
  197    HZ3  TRP 275           HZ3      TRP 275  -7.167   4.594   4.594
  198    HH2  TRP 275           HH2      TRP 275  -6.174   5.931   5.931
  199    H    THR 276           H        THR 276  -9.821   5.715   5.715
  200    HA   THR 276           HA       THR 276 -10.172   4.073   4.073
  201    HB   THR 276           HB       THR 276 -10.645   3.177   3.177
  202    HG1  THR 276           HG1      THR 276 -12.554   4.076   4.076
  203   1HG2  THR 276          2HG2      THR 276 -10.730   1.940   1.940
  204   2HG2  THR 276          1HG2      THR 276 -12.283   1.808   1.808
  205   3HG2  THR 276          3HG2      THR 276 -10.822   1.187   1.187
  206    H    VAL 277           H        VAL 277  -7.997   3.828   3.828
  207    HA   VAL 277           HA       VAL 277  -5.972   3.155   3.155
  208    HB   VAL 277           HB       VAL 277  -5.958   3.327   3.327
  209   1HG1  VAL 277          3HG1      VAL 277  -4.159   1.864   1.864
  210   2HG1  VAL 277          2HG1      VAL 277  -3.311   3.209   3.209
  211   3HG1  VAL 277          1HG1      VAL 277  -4.133   2.004   2.004
  212   1HG2  VAL 277          1HG2      VAL 277  -5.877   5.304   5.304
  213   2HG2  VAL 277          3HG2      VAL 277  -4.977   5.385   5.385
  214   3HG2  VAL 277          2HG2      VAL 277  -4.165   4.886   4.886
  215    H    ASN 278           H        ASN 278  -6.243   1.160   1.160
  216    HA   ASN 278           HA       ASN 278  -6.961  -1.149  -1.149
  217   1HB   ASN 278          2HB       ASN 278  -8.144  -1.085  -1.085
  218   2HB   ASN 278          1HB       ASN 278  -6.654  -0.810  -0.810
  219   1HD2  ASN 278          1HD2      ASN 278  -8.822  -3.230  -3.230
  220   2HD2  ASN 278          2HD2      ASN 278  -7.804  -4.575  -4.575
  221    H    LEU 279           H        LEU 279  -5.479  -2.775  -2.775
  222    HA   LEU 279           HA       LEU 279  -2.718  -2.398  -2.398
  223   1HB   LEU 279          2HB       LEU 279  -3.591  -3.197  -3.197
  224   2HB   LEU 279          1HB       LEU 279  -1.931  -3.332  -3.332
  225    HG   LEU 279           HG       LEU 279  -3.572  -0.795  -0.795
  226   1HD1  LEU 279          3HD1      LEU 279  -2.081  -2.108  -2.108
  227   2HD1  LEU 279          2HD1      LEU 279  -0.889  -1.005  -1.005
  228   3HD1  LEU 279          1HD1      LEU 279  -2.385  -0.371  -0.371
  229   1HD2  LEU 279          1HD2      LEU 279  -0.911  -1.371  -1.371
  230   2HD2  LEU 279          3HD2      LEU 279  -2.297  -0.514  -0.514
  231   3HD2  LEU 279          2HD2      LEU 279  -1.322   0.240   0.240
  232    H    ALA 280           H        ALA 280  -1.828  -4.194  -4.194
  233    HA   ALA 280           HA       ALA 280  -3.338  -6.756  -6.756
  234   1HB   ALA 280          2HB       ALA 280  -2.973  -5.544  -5.544
  235   2HB   ALA 280          1HB       ALA 280  -1.367  -6.267  -6.267
  236   3HB   ALA 280          3HB       ALA 280  -2.800  -7.296  -7.296
  237    H    LEU 281           H        LEU 281  -2.124  -7.237  -7.237
  238    HA   LEU 281           HA       LEU 281   0.715  -7.307  -7.307
  239   1HB   LEU 281          2HB       LEU 281  -1.523  -8.637  -8.637
  240   2HB   LEU 281          1HB       LEU 281   0.093  -9.311  -9.311
  241    HG   LEU 281           HG       LEU 281  -0.481  -7.558  -7.558
  242   1HD1  LEU 281          1HD1      LEU 281   1.875  -7.844  -7.844
  243   2HD1  LEU 281          3HD1      LEU 281   1.662  -6.125  -6.125
  244   3HD1  LEU 281          2HD1      LEU 281   1.746  -7.274  -7.274
  245   1HD2  LEU 281          3HD2      LEU 281  -0.667  -5.896  -5.896
  246   2HD2  LEU 281          2HD2      LEU 281  -1.816  -6.002  -6.002
  247   3HD2  LEU 281          1HD2      LEU 281  -0.283  -5.159  -5.159
  248    H    ASN 282           H        ASN 282   2.220  -8.832  -8.832
  249    HA   ASN 282           HA       ASN 282   1.336 -10.811 -10.811
  250   1HB   ASN 282          2HB       ASN 282   4.148 -10.456 -10.456
  251   2HB   ASN 282          1HB       ASN 282   3.641 -11.073 -11.073
  252   1HD2  ASN 282          1HD2      ASN 282   4.893  -8.336  -8.336
  253   2HD2  ASN 282          2HD2      ASN 282   4.352  -7.167  -7.167
  254    H    GLY 283           H        GLY 283   0.822 -12.870 -12.870
  255   1HA   GLY 283          2HA       GLY 283   1.078 -14.978 -14.978
  256   2HA   GLY 283          1HA       GLY 283   2.344 -14.279 -14.279
  257    H    SER 284           H        SER 284   1.436 -15.105 -15.105
  258    HA   SER 284           HA       SER 284  -1.284 -14.129 -14.129
  259   1HB   SER 284          2HB       SER 284   0.535 -16.198 -16.198
  260   2HB   SER 284          1HB       SER 284  -0.980 -15.674 -15.674
  261    HG   SER 284           HG       SER 284  -0.986 -16.436 -16.436
  262    H    GLN 285           H        GLN 285   1.002 -12.309 -12.309
  263    HA   GLN 285           HA       GLN 285   2.169 -11.797 -11.797
  264   1HB   GLN 285          2HB       GLN 285   1.417  -9.971  -9.971
  265   2HB   GLN 285          1HB       GLN 285   2.237  -9.374  -9.374
  266   1HG   GLN 285          2HG       GLN 285   4.082 -10.947 -10.947
  267   2HG   GLN 285          1HG       GLN 285   3.255 -11.613 -11.613
  268   1HE2  GLN 285          1HE2      GLN 285   5.704  -9.527  -9.527
  269   2HE2  GLN 285          2HE2      GLN 285   5.613  -8.472  -8.472
  270    H    THR 286           H        THR 286   1.577  -9.809  -9.809
  271    HA   THR 286           HA       THR 286  -1.284  -9.145  -9.145
  272    HB   THR 286           HB       THR 286  -1.760 -10.083 -10.083
  273    HG1  THR 286           HG1      THR 286   0.984 -10.781 -10.781
  274   1HG2  THR 286          3HG2      THR 286  -1.745 -11.727 -11.727
  275   2HG2  THR 286          2HG2      THR 286  -0.067 -12.113 -12.113
  276   3HG2  THR 286          1HG2      THR 286  -1.339 -12.475 -12.475
  277    H    ILE 287           H        ILE 287  -1.671  -7.266  -7.266
  278    HA   ILE 287           HA       ILE 287   0.730  -5.656  -5.656
  279    HB   ILE 287           HB       ILE 287  -2.208  -5.005  -5.005
  280   1HG1  ILE 287          2HG1      ILE 287  -1.738  -5.454  -5.454
  281   2HG1  ILE 287          1HG1      ILE 287  -1.874  -3.709  -3.709
  282   1HG2  ILE 287          1HG2      ILE 287   0.346  -3.466  -3.466
  283   2HG2  ILE 287          3HG2      ILE 287  -1.078  -2.623  -2.623
  284   3HG2  ILE 287          2HG2      ILE 287  -1.123  -3.399  -3.399
  285   1HD1  ILE 287          1HD1      ILE 287   0.638  -3.627  -3.627
  286   2HD1  ILE 287          3HD1      ILE 287   0.676  -5.328  -5.328
  287   3HD1  ILE 287          2HD1      ILE 287   0.079  -4.118  -4.118
  288    H    GLN 288           H        GLN 288   1.207  -4.711  -4.711
  289    HA   GLN 288           HA       GLN 288   0.052  -6.266  -6.266
  290   1HB   GLN 288          2HB       GLN 288   2.491  -6.704  -6.704
  291   2HB   GLN 288          1HB       GLN 288   2.815  -5.032  -5.032
  292   1HG   GLN 288          2HG       GLN 288   3.222  -6.252  -6.252
  293   2HG   GLN 288          1HG       GLN 288   1.598  -5.600  -5.600
  294   1HE2  GLN 288          1HE2      GLN 288   3.396  -8.472  -8.472
  295   2HE2  GLN 288          2HE2      GLN 288   2.109  -9.575  -9.575
  296    H    ALA 289           H        ALA 289   0.980  -3.121  -3.121
  297    HA   ALA 289           HA       ALA 289  -0.541  -1.875  -1.875
  298   1HB   ALA 289          3HB       ALA 289   2.353  -1.745  -1.745
  299   2HB   ALA 289          2HB       ALA 289   1.621  -0.141  -0.141
  300   3HB   ALA 289          1HB       ALA 289   1.351  -1.191  -1.191
  301    H    SER 290           H        SER 290  -0.929   0.505   0.505
  302    HA   SER 290           HA       SER 290  -0.501   1.471   1.471
  303   1HB   SER 290          2HB       SER 290  -3.407   1.049   1.049
  304   2HB   SER 290          1HB       SER 290  -2.469   0.982   0.982
  305    HG   SER 290           HG       SER 290  -2.772  -1.099  -1.099
  306    H    TRP 291           H        TRP 291  -0.828   3.680   3.680
  307    HA   TRP 291           HA       TRP 291  -2.489   4.848   4.848
  308   1HB   TRP 291          2HB       TRP 291  -0.678   6.633   6.633
  309   2HB   TRP 291          1HB       TRP 291  -0.264   5.044   5.044
  310    HD1  TRP 291           HD1      TRP 291   0.515   7.425   7.425
  311    HE1  TRP 291           HE1      TRP 291   2.634   6.601   6.601
  312    HE3  TRP 291           HE3      TRP 291   1.167   2.917   2.917
  313    HZ2  TRP 291           HZ2      TRP 291   4.374   4.332   4.332
  314    HZ3  TRP 291           HZ3      TRP 291   3.062   1.445   1.445
  315    HH2  TRP 291           HH2      TRP 291   4.664   2.146   2.146
  316    H    ASN 292           H        ASN 292  -3.390   6.912   6.912
  317    HA   ASN 292           HA       ASN 292  -4.157   8.606   8.606
  318   1HB   ASN 292          2HB       ASN 292  -1.496   8.176   8.176
  319   2HB   ASN 292          1HB       ASN 292  -2.426   8.100   8.100
  320   1HD2  ASN 292          1HD2      ASN 292  -0.829  10.276  10.276
  321   2HD2  ASN 292          2HD2      ASN 292  -1.701  11.683  11.683
  322    H    ALA 293           H        ALA 293  -4.675   5.527   5.527
  323    HA   ALA 293           HA       ALA 293  -6.785   5.644   5.644
  324   1HB   ALA 293          1HB       ALA 293  -4.129   4.888   4.888
  325   2HB   ALA 293          3HB       ALA 293  -5.637   4.258   4.258
  326   3HB   ALA 293          2HB       ALA 293  -5.350   5.996   5.996
  327    H    ASN 294           H        ASN 294  -7.719   3.494   3.494
  328    HA   ASN 294           HA       ASN 294  -6.672   1.485   1.485
  329   1HB   ASN 294          2HB       ASN 294  -9.427   1.333   1.333
  330   2HB   ASN 294          1HB       ASN 294  -8.861   0.814   0.814
  331   1HD2  ASN 294          1HD2      ASN 294 -10.728   3.160   3.160
  332   2HD2  ASN 294          2HD2      ASN 294 -10.549   4.402   4.402
  333    H    VAL 295           H        VAL 295  -6.044  -0.499  -0.499
  334    HA   VAL 295           HA       VAL 295  -6.475  -1.014  -1.014
  335    HB   VAL 295           HB       VAL 295  -4.274  -2.045  -2.045
  336   1HG1  VAL 295          3HG1      VAL 295  -5.257  -2.897  -2.897
  337   2HG1  VAL 295          2HG1      VAL 295  -3.634  -2.236  -2.236
  338   3HG1  VAL 295          1HG1      VAL 295  -3.922  -3.559  -3.559
  339   1HG2  VAL 295          2HG2      VAL 295  -4.582   0.368   0.368
  340   2HG2  VAL 295          1HG2      VAL 295  -3.483   0.068   0.068
  341   3HG2  VAL 295          3HG2      VAL 295  -3.086  -0.529  -0.529
  342    H    THR 296           H        THR 296  -7.935  -2.607  -2.607
  343    HA   THR 296           HA       THR 296  -7.864  -5.045  -5.045
  344    HB   THR 296           HB       THR 296 -10.301  -4.967  -4.967
  345    HG1  THR 296           HG1      THR 296 -11.393  -3.041  -3.041
  346   1HG2  THR 296          2HG2      THR 296  -8.453  -3.874  -3.874
  347   2HG2  THR 296          1HG2      THR 296  -9.202  -2.359  -2.359
  348   3HG2  THR 296          3HG2      THR 296 -10.153  -3.570  -3.570
  349    H    GLY 297           H        GLY 297  -9.587  -6.647  -6.647
  350   1HA   GLY 297          2HA       GLY 297 -10.856  -6.631  -6.631
  351   2HA   GLY 297          1HA       GLY 297  -9.175  -6.643  -6.643
  352    H    SER 298           H        SER 298  -8.780  -8.706  -8.706
  353    HA   SER 298           HA       SER 298  -9.081 -10.877 -10.877
  354   1HB   SER 298          2HB       SER 298 -10.147 -12.351 -12.351
  355   2HB   SER 298          1HB       SER 298 -11.183 -11.040 -11.040
  356    HG   SER 298           HG       SER 298 -10.143 -11.530 -11.530
  357    H    GLY 299           H        GLY 299  -8.294 -13.022 -13.022
  358   1HA   GLY 299          2HA       GLY 299  -5.513 -12.423 -12.423
  359   2HA   GLY 299          1HA       GLY 299  -6.278 -14.008 -14.008
  360    H    SER 300           H        SER 300  -4.488 -13.073 -13.073
  361    HA   SER 300           HA       SER 300  -4.431 -13.254 -13.254
  362   1HB   SER 300          2HB       SER 300  -6.786 -14.318 -14.318
  363   2HB   SER 300          1HB       SER 300  -7.393 -12.724 -12.724
  364    HG   SER 300           HG       SER 300  -6.805 -13.067 -13.067
  365    H    THR 301           H        THR 301  -6.646 -10.806 -10.806
  366    HA   THR 301           HA       THR 301  -5.134  -8.756  -8.756
  367    HB   THR 301           HB       THR 301  -7.566  -7.672  -7.672
  368    HG1  THR 301           HG1      THR 301  -8.909  -9.139  -9.139
  369   1HG2  THR 301          1HG2      THR 301  -6.001  -8.180  -8.180
  370   2HG2  THR 301          3HG2      THR 301  -6.543  -9.858  -9.858
  371   3HG2  THR 301          2HG2      THR 301  -7.667  -8.574  -8.574
  372    H    ARG 302           H        ARG 302  -5.837  -6.491  -6.491
  373    HA   ARG 302           HA       ARG 302  -6.699  -6.561  -6.561
  374   1HB   ARG 302          2HB       ARG 302  -3.970  -5.847  -5.847
  375   2HB   ARG 302          1HB       ARG 302  -4.652  -4.865  -4.865
  376   1HG   ARG 302          2HG       ARG 302  -4.543  -7.892  -7.892
  377   2HG   ARG 302          1HG       ARG 302  -3.314  -6.857  -6.857
  378   1HD   ARG 302          2HD       ARG 302  -5.305  -5.711  -5.711
  379   2HD   ARG 302          1HD       ARG 302  -6.210  -7.161  -7.161
  380    HE   ARG 302           HE       ARG 302  -4.176  -6.993  -6.993
  381   1HH1  ARG 302          1HH2      ARG 302  -6.551  -8.897  -8.897
  382   2HH1  ARG 302          2HH2      ARG 302  -5.749 -10.418 -10.418
  383   1HH2  ARG 302          1HH1      ARG 302  -2.717  -9.000  -9.000
  384   2HH2  ARG 302          2HH1      ARG 302  -3.578 -10.477 -10.477
  385    H    THR 303           H        THR 303  -7.156  -4.312  -4.312
  386    HA   THR 303           HA       THR 303  -7.544  -2.341  -2.341
  387    HB   THR 303           HB       THR 303  -9.736  -2.952  -2.952
  388    HG1  THR 303           HG1      THR 303  -9.782  -3.786  -3.786
  389   1HG2  THR 303          1HG2      THR 303  -9.405  -1.262  -1.262
  390   2HG2  THR 303          3HG2      THR 303 -10.999  -1.913  -1.913
  391   3HG2  THR 303          2HG2      THR 303 -10.177  -0.863  -0.863
  392    H    VAL 304           H        VAL 304  -8.184  -0.158  -0.158
  393    HA   VAL 304           HA       VAL 304  -7.479   0.249   0.249
  394    HB   VAL 304           HB       VAL 304  -5.770   1.248   1.248
  395   1HG1  VAL 304          1HG1      VAL 304  -5.880   2.246   2.246
  396   2HG1  VAL 304          3HG1      VAL 304  -4.622   2.663   2.663
  397   3HG1  VAL 304          2HG1      VAL 304  -6.287   3.175   3.175
  398   1HG2  VAL 304          1HG2      VAL 304  -5.454  -0.548  -0.548
  399   2HG2  VAL 304          3HG2      VAL 304  -4.749  -0.679  -0.679
  400   3HG2  VAL 304          2HG2      VAL 304  -4.071   0.454   0.454
  401    H    THR 305           H        THR 305  -8.393   2.160   2.160
  402    HA   THR 305           HA       THR 305  -9.496   4.104   4.104
  403    HB   THR 305           HB       THR 305 -11.720   4.033   4.033
  404    HG1  THR 305           HG1      THR 305 -11.983   2.840   2.840
  405   1HG2  THR 305          2HG2      THR 305 -10.775   1.375   1.375
  406   2HG2  THR 305          1HG2      THR 305 -12.456   1.900   1.900
  407   3HG2  THR 305          3HG2      THR 305 -11.336   2.748   2.748
  408    HA   PRO 306           HA       PRO 306  -8.266   6.886   6.886
  409   1HB   PRO 306          2HB       PRO 306  -9.726   9.071   9.071
  410   2HB   PRO 306          1HB       PRO 306  -8.257   8.518   8.518
  411   1HG   PRO 306          2HG       PRO 306 -11.101   8.244   8.244
  412   2HG   PRO 306          1HG       PRO 306  -9.633   8.305   8.305
  413   1HD   PRO 306          2HD       PRO 306 -11.086   5.970   5.970
  414   2HD   PRO 306          1HD       PRO 306  -9.451   6.021   6.021
  415    H    ASN 307           H        ASN 307  -9.219   8.229   8.229
  416    HA   ASN 307           HA       ASN 307 -11.978   7.306   7.306
  417   1HB   ASN 307          2HB       ASN 307 -11.324   7.223   7.223
  418   2HB   ASN 307          1HB       ASN 307 -10.069   6.376   6.376
  419   1HD2  ASN 307          1HD2      ASN 307 -10.629   8.941   8.941
  420   2HD2  ASN 307          2HD2      ASN 307  -9.091   9.653   9.653
  421    H    GLY 308           H        GLY 308  -9.975   9.971   9.971
  422   1HA   GLY 308          2HA       GLY 308 -11.172  12.139  12.139
  423   2HA   GLY 308          1HA       GLY 308 -12.012  11.799  11.799
  424    H    SER 309           H        SER 309  -8.552  11.432  11.432
  425    HA   SER 309           HA       SER 309  -7.989  13.545  13.545
  426   1HB   SER 309          2HB       SER 309  -7.194  10.716  10.716
  427   2HB   SER 309          1HB       SER 309  -5.842  11.823  11.823
  428    HG   SER 309           HG       SER 309  -6.983  12.764  12.764
  429    H    GLY 310           H        GLY 310  -6.291  11.503  11.503
  430   1HA   GLY 310          2HA       GLY 310  -5.369  13.910  13.910
  431   2HA   GLY 310          1HA       GLY 310  -4.092  13.002  13.002
  432    H    ASN 311           H        ASN 311  -4.131  13.287  13.287
  433    HA   ASN 311           HA       ASN 311  -5.223  10.766  10.766
  434   1HB   ASN 311          2HB       ASN 311  -3.519  12.785  12.785
  435   2HB   ASN 311          1HB       ASN 311  -4.678  11.639  11.639
  436   1HD2  ASN 311          1HD2      ASN 311  -6.681  12.225  12.225
  437   2HD2  ASN 311          2HD2      ASN 311  -7.333  13.744  13.744
  438    H    THR 312           H        THR 312  -2.408  11.761  11.761
  439    HA   THR 312           HA       THR 312  -0.705   9.811   9.811
  440    HB   THR 312           HB       THR 312  -0.044  11.926  11.926
  441    HG1  THR 312           HG1      THR 312   0.090  13.050  13.050
  442   1HG2  THR 312          3HG2      THR 312   1.637   9.777   9.777
  443   2HG2  THR 312          2HG2      THR 312   2.353  11.265  11.265
  444   3HG2  THR 312          1HG2      THR 312   1.495  10.176  10.176
  445    H    PHE 313           H        PHE 313  -0.693   7.776   7.776
  446    HA   PHE 313           HA       PHE 313  -0.741   7.454   7.454
  447   1HB   PHE 313          2HB       PHE 313  -2.282   5.567   5.567
  448   2HB   PHE 313          1HB       PHE 313  -3.017   7.002   7.002
  449    HD1  PHE 313           HD2      PHE 313  -2.586   7.352   7.352
  450    HD2  PHE 313           HD1      PHE 313  -2.175   3.592   3.592
  451    HE1  PHE 313           HE2      PHE 313  -2.821   6.158   6.158
  452    HE2  PHE 313           HE1      PHE 313  -2.409   2.397   2.397
  453    HZ   PHE 313           HZ       PHE 313  -2.732   3.681   3.681
  454    H    GLY 314           H        GLY 314   0.336   5.514   5.514
  455   1HA   GLY 314          2HA       GLY 314   2.116   4.311   4.311
  456   2HA   GLY 314          1HA       GLY 314   2.636   4.604   4.604
  457    H    VAL 315           H        VAL 315   2.565   2.035   2.035
  458    HA   VAL 315           HA       VAL 315   0.842   0.573   0.573
  459    HB   VAL 315           HB       VAL 315   0.072  -0.951  -0.951
  460   1HG1  VAL 315          1HG1      VAL 315  -1.017   1.373   1.373
  461   2HG1  VAL 315          3HG1      VAL 315  -0.291   1.807   1.807
  462   3HG1  VAL 315          2HG1      VAL 315  -1.458   0.488   0.488
  463   1HG2  VAL 315          1HG2      VAL 315   2.046   0.600   0.600
  464   2HG2  VAL 315          3HG2      VAL 315   1.786  -1.142  -1.142
  465   3HG2  VAL 315          2HG2      VAL 315   0.644  -0.119  -0.119
  466    H    THR 316           H        THR 316   1.697  -1.467  -1.467
  467    HA   THR 316           HA       THR 316   4.543  -1.875  -1.875
  468    HB   THR 316           HB       THR 316   3.022  -2.701  -2.701
  469    HG1  THR 316           HG1      THR 316   4.975  -0.805  -0.805
  470   1HG2  THR 316          2HG2      THR 316   5.682  -3.545  -3.545
  471   2HG2  THR 316          1HG2      THR 316   5.474  -3.402  -3.402
  472   3HG2  THR 316          3HG2      THR 316   4.460  -4.513  -4.513
  473    H    VAL 317           H        VAL 317   5.038  -3.701  -3.701
  474    HA   VAL 317           HA       VAL 317   2.929  -5.817  -5.817
  475    HB   VAL 317           HB       VAL 317   5.069  -5.143  -5.143
  476   1HG1  VAL 317          2HG1      VAL 317   2.719  -7.051  -7.051
  477   2HG1  VAL 317          1HG1      VAL 317   3.521  -6.564  -6.564
  478   3HG1  VAL 317          3HG1      VAL 317   4.420  -7.440  -7.440
  479   1HG2  VAL 317          1HG2      VAL 317   3.280  -3.375  -3.375
  480   2HG2  VAL 317          3HG2      VAL 317   3.331  -4.063  -4.063
  481   3HG2  VAL 317          2HG2      VAL 317   2.091  -4.585  -4.585
  482    H    MET 318           H        MET 318   3.635  -8.010  -8.010
  483    HA   MET 318           HA       MET 318   6.322  -8.344  -8.344
  484   1HB   MET 318          2HB       MET 318   3.981 -10.274 -10.274
  485   2HB   MET 318          1HB       MET 318   5.460 -10.439 -10.439
  486   1HG   MET 318          2HG       MET 318   4.622  -7.939  -7.939
  487   2HG   MET 318          1HG       MET 318   3.083  -8.767  -8.767
  488   1HE   MET 318          2HE       MET 318   5.211  -7.542  -7.542
  489   2HE   MET 318          1HE       MET 318   4.002  -7.948  -7.948
  490   3HE   MET 318          3HE       MET 318   5.642  -8.599  -8.599
  491    H    LYS 319           H        LYS 319   7.893  -9.371  -9.371
  492    HA   LYS 319           HA       LYS 319   7.805  -9.971  -9.971
  493   1HB   LYS 319          2HB       LYS 319   9.442 -11.025 -11.025
  494   2HB   LYS 319          1HB       LYS 319   9.556 -11.854 -11.854
  495   1HG   LYS 319          2HG       LYS 319  11.233 -10.198 -10.198
  496   2HG   LYS 319          1HG       LYS 319   9.877  -9.490  -9.490
  497   1HD   LYS 319          2HD       LYS 319   9.356  -8.007  -8.007
  498   2HD   LYS 319          1HD       LYS 319  10.148  -9.001  -9.001
  499   1HE   LYS 319          2HE       LYS 319  12.351  -8.472  -8.472
  500   2HE   LYS 319          1HE       LYS 319  11.511  -7.367  -7.367
  501   1HZ   LYS 319          2HZ       LYS 319  11.410  -7.183  -7.183
  502   2HZ   LYS 319          1HZ       LYS 319  12.473  -6.283  -6.283
  503   3HZ   LYS 319          3HZ       LYS 319  10.797  -6.060  -6.060
  504    H    ASN 320           H        ASN 320   7.627 -12.569 -12.569
  505    HA   ASN 320           HA       ASN 320   6.483 -14.618 -14.618
  506   1HB   ASN 320          2HB       ASN 320   4.668 -12.968 -12.968
  507   2HB   ASN 320          1HB       ASN 320   4.276 -14.589 -14.589
  508   1HD2  ASN 320          1HD2      ASN 320   2.402 -13.243 -13.243
  509   2HD2  ASN 320          2HD2      ASN 320   2.702 -12.591 -12.591
  510    H    GLY 321           H        GLY 321   8.622 -14.044 -14.044
  511   1HA   GLY 321          2HA       GLY 321   9.429 -15.864 -15.864
  512   2HA   GLY 321          1HA       GLY 321   7.781 -16.009 -16.009
  513    H    SER 322           H        SER 322   7.097 -13.385 -13.385
  514    HA   SER 322           HA       SER 322   8.999 -12.692 -12.692
  515   1HB   SER 322          2HB       SER 322   6.540 -11.200 -11.200
  516   2HB   SER 322          1HB       SER 322   7.162 -12.374 -12.374
  517    HG   SER 322           HG       SER 322   5.435 -13.410 -13.410
  518    H    SER 323           H        SER 323   9.434 -10.379 -10.379
  519    HA   SER 323           HA       SER 323   9.187  -8.775  -8.775
  520   1HB   SER 323          2HB       SER 323  11.488  -8.924  -8.924
  521   2HB   SER 323          1HB       SER 323  11.363  -7.709  -7.709
  522    HG   SER 323           HG       SER 323  11.247 -10.510 -10.510
  523    H    THR 324           H        THR 324   9.149  -8.793  -8.793
  524    HA   THR 324           HA       THR 324   9.049  -6.157  -6.157
  525    HB   THR 324           HB       THR 324   6.810  -7.849  -7.849
  526    HG1  THR 324           HG1      THR 324   8.160  -9.295  -9.295
  527   1HG2  THR 324          3HG2      THR 324   9.028  -6.197  -6.197
  528   2HG2  THR 324          2HG2      THR 324   7.831  -7.080  -7.080
  529   3HG2  THR 324          1HG2      THR 324   7.324  -5.761  -5.761
  530    H    THR 325           H        THR 325   7.958  -4.444  -4.444
  531    HA   THR 325           HA       THR 325   5.872  -4.619  -4.619
  532    HB   THR 325           HB       THR 325   5.370  -2.194  -2.194
  533    HG1  THR 325           HG1      THR 325   6.573  -2.163  -2.163
  534   1HG2  THR 325          2HG2      THR 325   7.438  -3.284  -3.284
  535   2HG2  THR 325          1HG2      THR 325   7.761  -1.656  -1.656
  536   3HG2  THR 325          3HG2      THR 325   6.265  -1.995  -1.995
  537    HA   PRO 326           HA       PRO 326   2.242  -5.288  -5.288
  538   1HB   PRO 326          2HB       PRO 326   0.440  -3.697  -3.697
  539   2HB   PRO 326          1HB       PRO 326   1.050  -5.236  -5.236
  540   1HG   PRO 326          2HG       PRO 326   1.741  -2.465  -2.465
  541   2HG   PRO 326          1HG       PRO 326   1.819  -3.962  -3.962
  542   1HD   PRO 326          2HD       PRO 326   4.016  -2.631  -2.631
  543   2HD   PRO 326          1HD       PRO 326   4.023  -4.282  -4.282
  544    H    ALA 327           H        ALA 327   0.750  -4.306  -4.306
  545    HA   ALA 327           HA       ALA 327   1.798  -1.787  -1.787
  546   1HB   ALA 327          2HB       ALA 327   0.496  -4.124  -4.124
  547   2HB   ALA 327          1HB       ALA 327  -0.484  -2.713  -2.713
  548   3HB   ALA 327          3HB       ALA 327   1.208  -2.782  -2.782
  549    H    ALA 328           H        ALA 328   0.147  -0.098  -0.098
  550    HA   ALA 328           HA       ALA 328  -2.223  -0.034  -0.034
  551   1HB   ALA 328          1HB       ALA 328   0.129   1.720   1.720
  552   2HB   ALA 328          3HB       ALA 328  -1.394   2.601   2.601
  553   3HB   ALA 328          2HB       ALA 328  -1.141   1.479   1.479
  554    H    THR 329           H        THR 329  -3.938   1.319   1.319
  555    HA   THR 329           HA       THR 329  -3.566   2.544   2.544
  556    HB   THR 329           HB       THR 329  -5.510   1.357   1.357
  557    HG1  THR 329           HG1      THR 329  -5.925  -0.638  -0.638
  558   1HG2  THR 329          1HG2      THR 329  -3.040   0.407   0.407
  559   2HG2  THR 329          3HG2      THR 329  -3.791  -0.833  -0.833
  560   3HG2  THR 329          2HG2      THR 329  -4.354  -0.574  -0.574
  561    H    CYS 330           H        CYS 330  -4.612   4.461   4.461
  562    HA   CYS 330           HA       CYS 330  -6.487   5.102   5.102
  563   1HB   CYS 330          2HB       CYS 330  -4.915   6.829   6.829
  564   2HB   CYS 330          1HB       CYS 330  -4.980   6.701   6.701
  565    H    ALA 331           H        ALA 331  -8.674   5.458   5.458
  566    HA   ALA 331           HA       ALA 331  -9.673   5.374   5.374
  567   1HB   ALA 331          3HB       ALA 331 -10.269   3.522   3.522
  568   2HB   ALA 331          2HB       ALA 331 -11.660   4.066   4.066
  569   3HB   ALA 331          1HB       ALA 331 -10.325   3.238   3.238
  570    H    GLY 332           H        GLY 332 -11.700   6.478   6.478
  571   1HA   GLY 332          2HA       GLY 332 -12.792   7.944   7.944
  572   2HA   GLY 332          1HA       GLY 332 -12.168   8.913   8.913
  573    H    SER 333           HN       SER 333 -14.641   9.510   9.510
  574    HA   SER 333           HA       SER 333 -15.965   8.310   8.310
  575   1HB   SER 333          2HB       SER 333 -17.455   8.015   8.015
  576   2HB   SER 333          1HB       SER 333 -17.785   7.246   7.246
  577    HG   SER 333           HG       SER 333 -16.043   5.931   5.931

  Start of MODEL    3
    1   1H    THR 247          1H        THR 247  -9.397  13.811  13.811
    2   2H    THR 247          3H        THR 247 -11.069  13.526  13.526
    3   3H    THR 247          2H        THR 247 -10.447  14.963  14.963
    4    HA   THR 247           HA       THR 247  -9.817  14.003  14.003
    5    HB   THR 247           HB       THR 247 -11.520  11.649  11.649
    6    HG1  THR 247           HG1      THR 247 -12.373  14.286  14.286
    7   1HG2  THR 247          1HG2      THR 247 -10.895  13.528  13.528
    8   2HG2  THR 247          3HG2      THR 247 -12.638  13.542  13.542
    9   3HG2  THR 247          2HG2      THR 247 -11.817  12.030  12.030
   10    H    GLY 248           H        GLY 248  -7.730  13.225  13.225
   11   1HA   GLY 248          2HA       GLY 248  -7.377  10.333  10.333
   12   2HA   GLY 248          1HA       GLY 248  -6.248  11.472  11.472
   13    H    CYS 249           H        CYS 249  -6.414   9.387   9.387
   14    HA   CYS 249           HA       CYS 249  -4.705  11.108  11.108
   15   1HB   CYS 249          2HB       CYS 249  -5.524   9.595   9.595
   16   2HB   CYS 249          1HB       CYS 249  -6.729  10.699  10.699
   17    H    SER 250           H        SER 250  -3.216   9.664   9.664
   18    HA   SER 250           HA       SER 250  -2.518   7.091   7.091
   19   1HB   SER 250          2HB       SER 250  -0.278   7.690   7.690
   20   2HB   SER 250          1HB       SER 250  -1.274   8.991   8.991
   21    HG   SER 250           HG       SER 250  -0.853  10.081  10.081
   22    H    VAL 251           H        VAL 251  -0.562   6.133   6.133
   23    HA   VAL 251           HA       VAL 251  -0.685   6.975   6.975
   24    HB   VAL 251           HB       VAL 251  -0.594   4.058   4.058
   25   1HG1  VAL 251          1HG1      VAL 251  -0.999   5.803   5.803
   26   2HG1  VAL 251          3HG1      VAL 251  -2.433   4.800   4.800
   27   3HG1  VAL 251          2HG1      VAL 251  -0.850   4.047   4.047
   28   1HG2  VAL 251          1HG2      VAL 251  -2.429   5.049   5.049
   29   2HG2  VAL 251          3HG2      VAL 251  -2.984   3.877   3.877
   30   3HG2  VAL 251          2HG2      VAL 251  -3.201   5.603   5.603
   31    H    THR 252           H        THR 252   1.371   7.331   7.331
   32    HA   THR 252           HA       THR 252   3.579   5.883   5.883
   33    HB   THR 252           HB       THR 252   4.741   7.840   7.840
   34    HG1  THR 252           HG1      THR 252   2.806   8.812   8.812
   35   1HG2  THR 252          2HG2      THR 252   5.186   7.190   7.190
   36   2HG2  THR 252          1HG2      THR 252   3.821   8.209   8.209
   37   3HG2  THR 252          3HG2      THR 252   5.237   8.924   8.924
   38    H    ALA 253           H        ALA 253   4.397   4.186   4.186
   39    HA   ALA 253           HA       ALA 253   4.165   4.230   4.230
   40   1HB   ALA 253          1HB       ALA 253   3.047   2.346   2.346
   41   2HB   ALA 253          3HB       ALA 253   4.645   1.832   1.832
   42   3HB   ALA 253          2HB       ALA 253   4.246   1.815   1.815
   43    H    THR 254           H        THR 254   6.083   5.170   5.170
   44    HA   THR 254           HA       THR 254   8.620   4.335   4.335
   45    HB   THR 254           HB       THR 254   9.187   6.005   6.005
   46    HG1  THR 254           HG1      THR 254   7.252   6.813   6.813
   47   1HG2  THR 254          1HG2      THR 254   8.933   6.352   6.352
   48   2HG2  THR 254          3HG2      THR 254   9.322   7.739   7.739
   49   3HG2  THR 254          2HG2      THR 254  10.388   6.334   6.334
   50    H    ARG 255           H        ARG 255  10.466   3.817   3.817
   51    HA   ARG 255           HA       ARG 255   9.443   1.812   1.812
   52   1HB   ARG 255          2HB       ARG 255  12.012   2.190   2.190
   53   2HB   ARG 255          1HB       ARG 255  12.034   1.281   1.281
   54   1HG   ARG 255          2HG       ARG 255   9.827   0.555   0.555
   55   2HG   ARG 255          1HG       ARG 255  11.433   0.197   0.197
   56   1HD   ARG 255          2HD       ARG 255  11.591  -0.617  -0.617
   57   2HD   ARG 255          1HD       ARG 255   9.964  -1.100  -1.100
   58    HE   ARG 255           HE       ARG 255  12.324  -1.870  -1.870
   59   1HH1  ARG 255          1HH1      ARG 255  10.096  -2.824  -2.824
   60   2HH1  ARG 255          2HH1      ARG 255   9.774  -4.375  -4.375
   61   1HH2  ARG 255          1HH2      ARG 255  11.658  -3.774  -3.774
   62   2HH2  ARG 255          2HH2      ARG 255  10.658  -4.913  -4.913
   63    H    ALA 256           H        ALA 256   9.975   1.918   1.918
   64    HA   ALA 256           HA       ALA 256  11.259   4.474   4.474
   65   1HB   ALA 256          1HB       ALA 256   8.793   3.390   3.390
   66   2HB   ALA 256          3HB       ALA 256   9.833   2.977   2.977
   67   3HB   ALA 256          2HB       ALA 256   9.649   4.661   4.661
   68    H    GLU 257           H        GLU 257  10.894   1.070   1.070
   69    HA   GLU 257           HA       GLU 257  13.786   1.061   1.061
   70   1HB   GLU 257          2HB       GLU 257  11.521   0.560   0.560
   71   2HB   GLU 257          1HB       GLU 257  13.121  -0.135  -0.135
   72   1HG   GLU 257          2HG       GLU 257  12.703   2.817   2.817
   73   2HG   GLU 257          1HG       GLU 257  12.692   2.124   2.124
   74    H    GLU 258           H        GLU 258  14.710  -1.006  -1.006
   75    HA   GLU 258           HA       GLU 258  12.837  -3.174  -3.174
   76   1HB   GLU 258          2HB       GLU 258  14.848  -1.939  -1.939
   77   2HB   GLU 258          1HB       GLU 258  15.542  -3.481  -3.481
   78   1HG   GLU 258          2HG       GLU 258  13.575  -4.671  -4.671
   79   2HG   GLU 258          1HG       GLU 258  12.832  -3.139  -3.139
   80    H    TRP 259           H        TRP 259  12.910  -4.894  -4.894
   81    HA   TRP 259           HA       TRP 259  15.463  -5.401  -5.401
   82   1HB   TRP 259          2HB       TRP 259  12.615  -5.706  -5.706
   83   2HB   TRP 259          1HB       TRP 259  14.043  -6.252  -6.252
   84    HD1  TRP 259           HD1      TRP 259  15.971  -4.173  -4.173
   85    HE1  TRP 259           HE1      TRP 259  15.513  -1.759  -1.759
   86    HE3  TRP 259           HE3      TRP 259  10.976  -3.852  -3.852
   87    HZ2  TRP 259           HZ2      TRP 259  13.319   0.068   0.068
   88    HZ3  TRP 259           HZ3      TRP 259   9.727  -1.765  -1.765
   89    HH2  TRP 259           HH2      TRP 259  10.891   0.193   0.193
   90    H    SER 260           H        SER 260  15.109  -7.820  -7.820
   91    HA   SER 260           HA       SER 260  14.732  -9.527  -9.527
   92   1HB   SER 260          2HB       SER 260  15.896 -10.094 -10.094
   93   2HB   SER 260          1HB       SER 260  15.759 -11.295 -11.295
   94    HG   SER 260           HG       SER 260  16.939  -9.640  -9.640
   95    H    ASP 261           H        ASP 261  12.764  -8.388  -8.388
   96    HA   ASP 261           HA       ASP 261  11.206 -10.940 -10.940
   97   1HB   ASP 261          2HB       ASP 261  10.126  -9.736  -9.736
   98   2HB   ASP 261          1HB       ASP 261  11.732 -10.441 -10.441
   99    H    ARG 262           H        ARG 262  11.197  -7.556  -7.556
  100    HA   ARG 262           HA       ARG 262   8.866  -7.777  -7.777
  101   1HB   ARG 262          2HB       ARG 262   7.252  -6.491  -6.491
  102   2HB   ARG 262          1HB       ARG 262   7.723  -7.949  -7.949
  103   1HG   ARG 262          2HG       ARG 262   9.143  -6.746  -6.746
  104   2HG   ARG 262          1HG       ARG 262   9.145  -5.320  -5.320
  105   1HD   ARG 262          2HD       ARG 262   6.635  -5.163  -5.163
  106   2HD   ARG 262          1HD       ARG 262   6.864  -6.376  -6.376
  107    HE   ARG 262           HE       ARG 262   8.512  -3.907  -3.907
  108   1HH1  ARG 262          1HH1      ARG 262   5.615  -5.478  -5.478
  109   2HH1  ARG 262          2HH1      ARG 262   5.637  -4.866  -4.866
  110   1HH2  ARG 262          1HH2      ARG 262   8.704  -3.287  -3.287
  111   2HH2  ARG 262          2HH2      ARG 262   7.386  -3.626  -3.626
  112    H    PHE 263           H        PHE 263   8.163  -5.554  -5.554
  113    HA   PHE 263           HA       PHE 263  10.299  -3.513  -3.513
  114   1HB   PHE 263          2HB       PHE 263  10.226  -3.015  -3.015
  115   2HB   PHE 263          1HB       PHE 263  10.799  -4.650  -4.650
  116    HD1  PHE 263           HD2      PHE 263   9.372  -6.604  -6.604
  117    HD2  PHE 263           HD1      PHE 263   8.049  -2.622  -2.622
  118    HE1  PHE 263           HE2      PHE 263   7.538  -7.531  -7.531
  119    HE2  PHE 263           HE1      PHE 263   6.214  -3.548  -3.548
  120    HZ   PHE 263           HZ       PHE 263   5.959  -6.003  -6.003
  121    H    ASN 264           H        ASN 264   9.576  -1.330  -1.330
  122    HA   ASN 264           HA       ASN 264   6.633  -1.044  -1.044
  123   1HB   ASN 264          2HB       ASN 264   9.013   0.621   0.621
  124   2HB   ASN 264          1HB       ASN 264   7.455   1.417   1.417
  125   1HD2  ASN 264          1HD2      ASN 264   8.217  -1.818  -1.818
  126   2HD2  ASN 264          2HD2      ASN 264   7.461  -1.515  -1.515
  127    H    VAL 265           H        VAL 265   5.464   0.462   0.462
  128    HA   VAL 265           HA       VAL 265   6.921   1.400   1.400
  129    HB   VAL 265           HB       VAL 265   4.073   0.451   0.451
  130   1HG1  VAL 265          2HG1      VAL 265   6.407   0.635   0.635
  131   2HG1  VAL 265          1HG1      VAL 265   4.838  -0.058  -0.058
  132   3HG1  VAL 265          3HG1      VAL 265   4.963   1.649   1.649
  133   1HG2  VAL 265          2HG2      VAL 265   6.581  -1.247  -1.247
  134   2HG2  VAL 265          1HG2      VAL 265   5.150  -1.461  -1.461
  135   3HG2  VAL 265          3HG2      VAL 265   5.061  -1.773  -1.773
  136    H    THR 266           H        THR 266   5.682   3.174   3.174
  137    HA   THR 266           HA       THR 266   3.923   4.685   4.685
  138    HB   THR 266           HB       THR 266   5.866   6.179   6.179
  139    HG1  THR 266           HG1      THR 266   7.175   6.043   6.043
  140   1HG2  THR 266          2HG2      THR 266   3.918   6.905   6.905
  141   2HG2  THR 266          1HG2      THR 266   5.352   6.917   6.917
  142   3HG2  THR 266          3HG2      THR 266   5.299   7.914   7.914
  143    H    TYR 267           H        TYR 267   2.061   4.241   4.241
  144    HA   TYR 267           HA       TYR 267   2.089   4.831   4.831
  145   1HB   TYR 267          2HB       TYR 267   0.015   3.689   3.689
  146   2HB   TYR 267          1HB       TYR 267  -0.361   4.109   4.109
  147    HD1  TYR 267           HD1      TYR 267   2.003   2.090   2.090
  148    HD2  TYR 267           HD2      TYR 267   0.143   2.617   2.617
  149    HE1  TYR 267           HE1      TYR 267   2.959  -0.069  -0.069
  150    HE2  TYR 267           HE2      TYR 267   1.100   0.459   0.459
  151    HH   TYR 267           HH       TYR 267   1.895  -1.690  -1.690
  152    H    SER 268           H        SER 268   1.036   6.608   6.608
  153    HA   SER 268           HA       SER 268  -0.595   8.356   8.356
  154   1HB   SER 268          2HB       SER 268   1.510   9.790   9.790
  155   2HB   SER 268          1HB       SER 268   0.818  10.156  10.156
  156    HG   SER 268           HG       SER 268   2.909   8.431   8.431
  157    H    VAL 269           H        VAL 269  -1.778   9.974   9.974
  158    HA   VAL 269           HA       VAL 269  -1.680   9.620   9.620
  159    HB   VAL 269           HB       VAL 269  -4.172   9.239   9.239
  160   1HG1  VAL 269          3HG1      VAL 269  -3.851  10.207  10.207
  161   2HG1  VAL 269          2HG1      VAL 269  -4.542   8.586   8.586
  162   3HG1  VAL 269          1HG1      VAL 269  -5.350   9.845   9.845
  163   1HG2  VAL 269          3HG2      VAL 269  -2.497   7.399   7.399
  164   2HG2  VAL 269          2HG2      VAL 269  -2.875   7.225   7.225
  165   3HG2  VAL 269          1HG2      VAL 269  -4.140   7.001   7.001
  166    H    SER 270           H        SER 270  -2.416  11.465  11.465
  167    HA   SER 270           HA       SER 270  -3.272  13.762  13.762
  168   1HB   SER 270          2HB       SER 270  -1.753  15.206  15.206
  169   2HB   SER 270          1HB       SER 270  -0.815  13.718  13.718
  170    HG   SER 270           HG       SER 270  -1.471  13.288  13.288
  171    H    GLY 271           H        GLY 271  -4.202  15.569  15.569
  172   1HA   GLY 271          2HA       GLY 271  -5.384  16.059  16.059
  173   2HA   GLY 271          1HA       GLY 271  -5.697  14.331  14.331
  174    H    SER 272           H        SER 272  -6.779  13.532  13.532
  175    HA   SER 272           HA       SER 272  -8.799  15.455  15.455
  176   1HB   SER 272          2HB       SER 272  -9.487  14.069  14.069
  177   2HB   SER 272          1HB       SER 272  -9.974  12.912  12.912
  178    HG   SER 272           HG       SER 272 -10.694  15.663  15.663
  179    H    SER 273           H        SER 273  -8.339  15.117  15.117
  180    HA   SER 273           HA       SER 273  -7.350  12.896  12.896
  181   1HB   SER 273          2HB       SER 273  -8.166  15.213  15.213
  182   2HB   SER 273          1HB       SER 273  -9.659  14.339  14.339
  183    HG   SER 273           HG       SER 273  -8.538  12.940  12.940
  184    H    ALA 274           H        ALA 274 -10.568  13.253  13.253
  185    HA   ALA 274           HA       ALA 274 -11.632  10.909  10.909
  186   1HB   ALA 274          1HB       ALA 274 -12.872  12.995  12.995
  187   2HB   ALA 274          3HB       ALA 274 -12.863  11.921  11.921
  188   3HB   ALA 274          2HB       ALA 274 -13.640  11.411  11.411
  189    H    TRP 275           H        TRP 275  -9.805   9.484   9.484
  190    HA   TRP 275           HA       TRP 275 -10.217   8.373   8.373
  191   1HB   TRP 275          2HB       TRP 275  -7.714   7.765   7.765
  192   2HB   TRP 275          1HB       TRP 275  -8.109   9.456   9.456
  193    HD1  TRP 275           HD1      TRP 275  -7.097  11.161  11.161
  194    HE1  TRP 275           HE1      TRP 275  -5.988  11.072  11.072
  195    HE3  TRP 275           HE3      TRP 275  -7.806   6.228   6.228
  196    HZ2  TRP 275           HZ2      TRP 275  -5.470   9.167   9.167
  197    HZ3  TRP 275           HZ3      TRP 275  -6.997   5.308   5.308
  198    HH2  TRP 275           HH2      TRP 275  -5.830   6.768   6.768
  199    H    THR 276           H        THR 276  -9.218   6.070   6.070
  200    HA   THR 276           HA       THR 276  -9.628   4.664   4.664
  201    HB   THR 276           HB       THR 276 -10.534   3.409   3.409
  202    HG1  THR 276           HG1      THR 276 -12.671   4.291   4.291
  203   1HG2  THR 276          3HG2      THR 276 -11.279   3.174   3.174
  204   2HG2  THR 276          2HG2      THR 276 -12.153   2.354   2.354
  205   3HG2  THR 276          1HG2      THR 276 -10.456   1.973   1.973
  206    H    VAL 277           H        VAL 277  -7.499   4.092   4.092
  207    HA   VAL 277           HA       VAL 277  -5.777   3.221   3.221
  208    HB   VAL 277           HB       VAL 277  -5.244   2.954   2.954
  209   1HG1  VAL 277          1HG1      VAL 277  -3.599   2.956   2.956
  210   2HG1  VAL 277          3HG1      VAL 277  -2.873   3.438   3.438
  211   3HG1  VAL 277          2HG1      VAL 277  -3.554   1.822   1.822
  212   1HG2  VAL 277          2HG2      VAL 277  -5.852   5.323   5.323
  213   2HG2  VAL 277          1HG2      VAL 277  -4.936   5.191   5.191
  214   3HG2  VAL 277          3HG2      VAL 277  -4.090   5.271   5.271
  215    H    ASN 278           H        ASN 278  -5.581   1.166   1.166
  216    HA   ASN 278           HA       ASN 278  -6.718  -1.018  -1.018
  217   1HB   ASN 278          2HB       ASN 278  -7.666  -0.434  -0.434
  218   2HB   ASN 278          1HB       ASN 278  -6.238  -1.302  -1.302
  219   1HD2  ASN 278          1HD2      ASN 278  -5.985  -3.595  -3.595
  220   2HD2  ASN 278          2HD2      ASN 278  -7.377  -4.481  -4.481
  221    H    LEU 279           H        LEU 279  -5.028  -2.011  -2.011
  222    HA   LEU 279           HA       LEU 279  -2.400  -2.166  -2.166
  223   1HB   LEU 279          2HB       LEU 279  -3.303  -3.086  -3.086
  224   2HB   LEU 279          1HB       LEU 279  -1.640  -3.128  -3.128
  225    HG   LEU 279           HG       LEU 279  -3.366  -0.696  -0.696
  226   1HD1  LEU 279          1HD1      LEU 279  -1.434  -2.094  -2.094
  227   2HD1  LEU 279          3HD1      LEU 279  -0.644  -0.619  -0.619
  228   3HD1  LEU 279          2HD1      LEU 279  -2.144  -0.522  -0.522
  229   1HD2  LEU 279          3HD2      LEU 279  -0.841  -1.017  -1.017
  230   2HD2  LEU 279          2HD2      LEU 279  -2.321  -0.161  -0.161
  231   3HD2  LEU 279          1HD2      LEU 279  -1.234   0.514   0.514
  232    H    ALA 280           H        ALA 280  -1.483  -4.076  -4.076
  233    HA   ALA 280           HA       ALA 280  -3.028  -6.594  -6.594
  234   1HB   ALA 280          3HB       ALA 280  -2.595  -5.122  -5.122
  235   2HB   ALA 280          2HB       ALA 280  -2.121  -6.818  -6.818
  236   3HB   ALA 280          1HB       ALA 280  -3.769  -6.385  -6.385
  237    H    LEU 281           H        LEU 281  -1.366  -7.383  -7.383
  238    HA   LEU 281           HA       LEU 281   1.421  -7.211  -7.211
  239   1HB   LEU 281          2HB       LEU 281  -0.281  -9.104  -9.104
  240   2HB   LEU 281          1HB       LEU 281   1.449  -9.396  -9.396
  241    HG   LEU 281           HG       LEU 281   0.348  -6.727  -6.727
  242   1HD1  LEU 281          3HD1      LEU 281   0.259  -9.181  -9.181
  243   2HD1  LEU 281          2HD1      LEU 281   1.562  -8.223  -8.223
  244   3HD1  LEU 281          1HD1      LEU 281  -0.070  -7.562  -7.562
  245   1HD2  LEU 281          1HD2      LEU 281   2.790  -7.265  -7.265
  246   2HD2  LEU 281          3HD2      LEU 281   2.558  -6.184  -6.184
  247   3HD2  LEU 281          2HD2      LEU 281   3.024  -7.863  -7.863
  248    H    ASN 282           H        ASN 282   2.792  -9.236  -9.236
  249    HA   ASN 282           HA       ASN 282   1.537 -10.692 -10.692
  250   1HB   ASN 282          2HB       ASN 282   4.505 -10.263 -10.263
  251   2HB   ASN 282          1HB       ASN 282   3.580 -10.594 -10.594
  252   1HD2  ASN 282          1HD2      ASN 282   5.307  -8.159  -8.159
  253   2HD2  ASN 282          2HD2      ASN 282   4.391  -6.819  -6.819
  254    H    GLY 283           H        GLY 283   0.863 -12.404 -12.404
  255   1HA   GLY 283          2HA       GLY 283   1.857 -14.773 -14.773
  256   2HA   GLY 283          1HA       GLY 283   3.127 -14.002 -14.002
  257    H    SER 284           H        SER 284   2.665 -15.073 -15.073
  258    HA   SER 284           HA       SER 284  -0.084 -14.887 -14.887
  259   1HB   SER 284          2HB       SER 284   2.041 -16.004 -16.004
  260   2HB   SER 284          1HB       SER 284   0.465 -16.671 -16.671
  261    HG   SER 284           HG       SER 284   2.876 -16.728 -16.728
  262    H    GLN 285           H        GLN 285   2.405 -12.801 -12.801
  263    HA   GLN 285           HA       GLN 285   3.071 -11.916 -11.916
  264   1HB   GLN 285          2HB       GLN 285   2.551 -10.473 -10.473
  265   2HB   GLN 285          1HB       GLN 285   2.846  -9.537  -9.537
  266   1HG   GLN 285          2HG       GLN 285   4.946 -10.845 -10.845
  267   2HG   GLN 285          1HG       GLN 285   4.671 -11.646 -11.646
  268   1HE2  GLN 285          1HE2      GLN 285   6.875  -9.718  -9.718
  269   2HE2  GLN 285          2HE2      GLN 285   6.809  -8.470  -8.470
  270    H    THR 286           H        THR 286   2.104 -10.330 -10.330
  271    HA   THR 286           HA       THR 286  -0.769  -9.740  -9.740
  272    HB   THR 286           HB       THR 286  -1.449 -10.654 -10.654
  273    HG1  THR 286           HG1      THR 286   0.228 -10.337 -10.337
  274   1HG2  THR 286          2HG2      THR 286  -1.062 -12.208 -12.208
  275   2HG2  THR 286          1HG2      THR 286   0.374 -12.759 -12.759
  276   3HG2  THR 286          3HG2      THR 286  -1.221 -12.968 -12.968
  277    H    ILE 287           H        ILE 287  -1.532  -8.319  -8.319
  278    HA   ILE 287           HA       ILE 287   0.720  -6.500  -6.500
  279    HB   ILE 287           HB       ILE 287  -2.101  -5.801  -5.801
  280   1HG1  ILE 287          2HG1      ILE 287   0.654  -5.157  -5.157
  281   2HG1  ILE 287          1HG1      ILE 287  -0.570  -6.175  -6.175
  282   1HG2  ILE 287          3HG2      ILE 287   0.078  -4.091  -4.091
  283   2HG2  ILE 287          2HG2      ILE 287  -1.337  -3.433  -3.433
  284   3HG2  ILE 287          1HG2      ILE 287  -1.534  -4.387  -4.387
  285   1HD1  ILE 287          1HD1      ILE 287  -2.037  -3.951  -3.951
  286   2HD1  ILE 287          3HD1      ILE 287  -0.442  -3.207  -3.207
  287   3HD1  ILE 287          2HD1      ILE 287  -1.031  -4.210  -4.210
  288    H    GLN 288           H        GLN 288   0.492  -5.480  -5.480
  289    HA   GLN 288           HA       GLN 288  -1.717  -6.498  -6.498
  290   1HB   GLN 288          2HB       GLN 288   1.231  -6.952  -6.952
  291   2HB   GLN 288          1HB       GLN 288   0.157  -6.838  -6.838
  292   1HG   GLN 288          2HG       GLN 288  -0.590  -8.633  -8.633
  293   2HG   GLN 288          1HG       GLN 288   0.601  -9.182  -9.182
  294   1HE2  GLN 288          1HE2      GLN 288  -1.650 -10.677 -10.677
  295   2HE2  GLN 288          2HE2      GLN 288  -2.657 -10.259 -10.259
  296    H    ALA 289           H        ALA 289  -0.378  -3.867  -3.867
  297    HA   ALA 289           HA       ALA 289  -1.069  -2.256  -2.256
  298   1HB   ALA 289          2HB       ALA 289   1.685  -2.811  -2.811
  299   2HB   ALA 289          1HB       ALA 289   1.338  -1.084  -1.084
  300   3HB   ALA 289          3HB       ALA 289   1.064  -1.967  -1.967
  301    H    SER 290           H        SER 290  -1.420  -0.012  -0.012
  302    HA   SER 290           HA       SER 290  -1.013   0.920   0.920
  303   1HB   SER 290          2HB       SER 290  -3.235   0.907   0.907
  304   2HB   SER 290          1HB       SER 290  -3.053  -0.684  -0.684
  305    HG   SER 290           HG       SER 290  -4.975   0.649   0.649
  306    H    TRP 291           H        TRP 291  -0.748   3.093   3.093
  307    HA   TRP 291           HA       TRP 291  -2.213   4.472   4.472
  308   1HB   TRP 291          2HB       TRP 291  -0.172   6.022   6.022
  309   2HB   TRP 291          1HB       TRP 291   0.067   4.402   4.402
  310    HD1  TRP 291           HD1      TRP 291   1.048   6.649   6.649
  311    HE1  TRP 291           HE1      TRP 291   2.909   5.505   5.505
  312    HE3  TRP 291           HE3      TRP 291   1.028   2.028   2.028
  313    HZ2  TRP 291           HZ2      TRP 291   4.216   2.964   2.964
  314    HZ3  TRP 291           HZ3      TRP 291   2.590   0.266   0.266
  315    HH2  TRP 291           HH2      TRP 291   4.182   0.729   0.729
  316    H    ASN 292           H        ASN 292  -3.202   6.399   6.399
  317    HA   ASN 292           HA       ASN 292  -3.903   8.192   8.192
  318   1HB   ASN 292          2HB       ASN 292  -1.217   7.813   7.813
  319   2HB   ASN 292          1HB       ASN 292  -2.083   7.811   7.811
  320   1HD2  ASN 292          1HD2      ASN 292  -0.681   9.990   9.990
  321   2HD2  ASN 292          2HD2      ASN 292  -1.501  11.369  11.369
  322    H    ALA 293           H        ALA 293  -4.908   5.457   5.457
  323    HA   ALA 293           HA       ALA 293  -6.604   5.730   5.730
  324   1HB   ALA 293          3HB       ALA 293  -3.942   4.916   4.916
  325   2HB   ALA 293          2HB       ALA 293  -5.076   3.609   3.609
  326   3HB   ALA 293          1HB       ALA 293  -5.338   5.210   5.210
  327    H    ASN 294           H        ASN 294  -7.911   3.778   3.778
  328    HA   ASN 294           HA       ASN 294  -7.715   1.922   1.922
  329   1HB   ASN 294          2HB       ASN 294  -9.992   2.915   2.915
  330   2HB   ASN 294          1HB       ASN 294 -10.144   1.375   1.375
  331   1HD2  ASN 294          1HD2      ASN 294 -10.991   4.507   4.507
  332   2HD2  ASN 294          2HD2      ASN 294 -10.858   4.653   4.653
  333    H    VAL 295           H        VAL 295  -6.363   0.288   0.288
  334    HA   VAL 295           HA       VAL 295  -6.921  -0.889  -0.889
  335    HB   VAL 295           HB       VAL 295  -4.734  -1.540  -1.540
  336   1HG1  VAL 295          3HG1      VAL 295  -5.266  -2.355  -2.355
  337   2HG1  VAL 295          2HG1      VAL 295  -3.676  -2.505  -2.505
  338   3HG1  VAL 295          1HG1      VAL 295  -5.046  -3.404  -3.404
  339   1HG2  VAL 295          2HG2      VAL 295  -4.751   0.815   0.815
  340   2HG2  VAL 295          1HG2      VAL 295  -3.297  -0.131  -0.131
  341   3HG2  VAL 295          3HG2      VAL 295  -4.520   0.060   0.060
  342    H    THR 296           H        THR 296  -8.497  -2.423  -2.423
  343    HA   THR 296           HA       THR 296  -8.357  -4.551  -4.551
  344    HB   THR 296           HB       THR 296 -10.981  -4.409  -4.409
  345    HG1  THR 296           HG1      THR 296 -11.463  -2.054  -2.054
  346   1HG2  THR 296          2HG2      THR 296  -8.980  -3.468  -3.468
  347   2HG2  THR 296          1HG2      THR 296 -10.115  -2.126  -2.126
  348   3HG2  THR 296          3HG2      THR 296 -10.681  -3.706  -3.706
  349    H    GLY 297           H        GLY 297 -10.076  -6.328  -6.328
  350   1HA   GLY 297          2HA       GLY 297 -11.266  -7.268  -7.268
  351   2HA   GLY 297          1HA       GLY 297  -9.972  -6.585  -6.585
  352    H    SER 298           H        SER 298  -9.509  -8.730  -8.730
  353    HA   SER 298           HA       SER 298  -8.467 -10.696 -10.696
  354   1HB   SER 298          2HB       SER 298  -9.312 -10.792 -10.792
  355   2HB   SER 298          1HB       SER 298  -8.136 -11.977 -11.977
  356    HG   SER 298           HG       SER 298 -10.806 -11.798 -11.798
  357    H    GLY 299           H        GLY 299  -6.402 -11.904 -11.904
  358   1HA   GLY 299          2HA       GLY 299  -4.303  -9.882  -9.882
  359   2HA   GLY 299          1HA       GLY 299  -4.061 -11.626 -11.626
  360    H    SER 300           H        SER 300  -5.692 -12.168 -12.168
  361    HA   SER 300           HA       SER 300  -3.951 -11.789 -11.789
  362   1HB   SER 300          2HB       SER 300  -6.766 -12.563 -12.563
  363   2HB   SER 300          1HB       SER 300  -6.424 -11.804 -11.804
  364    HG   SER 300           HG       SER 300  -5.467 -14.184 -14.184
  365    H    THR 301           H        THR 301  -6.417  -9.609  -9.609
  366    HA   THR 301           HA       THR 301  -5.279  -7.457  -7.457
  367    HB   THR 301           HB       THR 301  -7.721  -6.729  -6.729
  368    HG1  THR 301           HG1      THR 301  -8.803  -8.168  -8.168
  369   1HG2  THR 301          2HG2      THR 301  -5.886  -8.012  -8.012
  370   2HG2  THR 301          1HG2      THR 301  -7.152  -9.239  -9.239
  371   3HG2  THR 301          3HG2      THR 301  -7.497  -7.621  -7.621
  372    H    ARG 302           H        ARG 302  -5.297  -5.491  -5.491
  373    HA   ARG 302           HA       ARG 302  -6.733  -5.435  -5.435
  374   1HB   ARG 302          2HB       ARG 302  -4.212  -3.894  -3.894
  375   2HB   ARG 302          1HB       ARG 302  -4.925  -4.198  -4.198
  376   1HG   ARG 302          2HG       ARG 302  -3.776  -6.322  -6.322
  377   2HG   ARG 302          1HG       ARG 302  -2.975  -5.668  -5.668
  378   1HD   ARG 302          2HD       ARG 302  -5.727  -6.894  -6.894
  379   2HD   ARG 302          1HD       ARG 302  -4.272  -7.885  -7.885
  380    HE   ARG 302           HE       ARG 302  -3.686  -6.120  -6.120
  381   1HH1  ARG 302          1HH2      ARG 302  -6.692  -5.311  -5.311
  382   2HH1  ARG 302          2HH2      ARG 302  -7.373  -6.112  -6.112
  383   1HH2  ARG 302          1HH1      ARG 302  -4.580  -8.087  -8.087
  384   2HH2  ARG 302          2HH1      ARG 302  -6.177  -7.683  -7.683
  385    H    THR 303           H        THR 303  -8.542  -4.230  -4.230
  386    HA   THR 303           HA       THR 303  -8.511  -2.031  -2.031
  387    HB   THR 303           HB       THR 303 -10.514  -2.584  -2.584
  388    HG1  THR 303           HG1      THR 303  -9.891  -4.197  -4.197
  389   1HG2  THR 303          3HG2      THR 303 -10.532  -0.927  -0.927
  390   2HG2  THR 303          2HG2      THR 303 -12.029  -1.487  -1.487
  391   3HG2  THR 303          1HG2      THR 303 -10.939  -0.428  -0.428
  392    H    VAL 304           H        VAL 304  -8.580   0.227   0.227
  393    HA   VAL 304           HA       VAL 304  -7.956   1.019   1.019
  394    HB   VAL 304           HB       VAL 304  -6.357   1.883   1.883
  395   1HG1  VAL 304          3HG1      VAL 304  -6.863   3.354   3.354
  396   2HG1  VAL 304          2HG1      VAL 304  -5.419   2.470   2.470
  397   3HG1  VAL 304          1HG1      VAL 304  -5.381   3.483   3.483
  398   1HG2  VAL 304          2HG2      VAL 304  -5.988  -0.189  -0.189
  399   2HG2  VAL 304          1HG2      VAL 304  -5.385  -0.149  -0.149
  400   3HG2  VAL 304          3HG2      VAL 304  -4.571   0.780   0.780
  401    H    THR 305           H        THR 305  -8.858   2.997   2.997
  402    HA   THR 305           HA       THR 305  -9.919   4.731   4.731
  403    HB   THR 305           HB       THR 305 -12.151   4.772   4.772
  404    HG1  THR 305           HG1      THR 305 -11.209   2.988   2.988
  405   1HG2  THR 305          3HG2      THR 305 -11.221   2.684   2.684
  406   2HG2  THR 305          2HG2      THR 305 -11.556   1.844   1.844
  407   3HG2  THR 305          1HG2      THR 305 -12.857   2.673   2.673
  408    HA   PRO 306           HA       PRO 306  -8.688   7.879   7.879
  409   1HB   PRO 306          2HB       PRO 306 -10.289   9.921   9.921
  410   2HB   PRO 306          1HB       PRO 306  -8.854   9.340   9.340
  411   1HG   PRO 306          2HG       PRO 306 -11.735   8.887   8.887
  412   2HG   PRO 306          1HG       PRO 306 -10.337   8.892   8.892
  413   1HD   PRO 306          2HD       PRO 306 -11.654   6.593   6.593
  414   2HD   PRO 306          1HD       PRO 306 -10.076   6.622   6.622
  415    H    ASN 307           H        ASN 307  -9.322   8.649   8.649
  416    HA   ASN 307           HA       ASN 307 -12.219   8.349   8.349
  417   1HB   ASN 307          2HB       ASN 307 -11.587   7.632   7.632
  418   2HB   ASN 307          1HB       ASN 307 -10.625   6.680   6.680
  419   1HD2  ASN 307          1HD2      ASN 307 -10.428   8.796   8.796
  420   2HD2  ASN 307          2HD2      ASN 307  -8.754   9.074   9.074
  421    H    GLY 308           H        GLY 308 -10.623  10.727  10.727
  422   1HA   GLY 308          2HA       GLY 308 -10.764  13.035  13.035
  423   2HA   GLY 308          1HA       GLY 308 -11.700  12.638  12.638
  424    H    SER 309           H        SER 309  -8.358  11.940  11.940
  425    HA   SER 309           HA       SER 309  -7.393  13.189  13.189
  426   1HB   SER 309          2HB       SER 309  -7.134  10.386  10.386
  427   2HB   SER 309          1HB       SER 309  -5.603  11.134  11.134
  428    HG   SER 309           HG       SER 309  -6.824  10.170  10.170
  429    H    GLY 310           H        GLY 310  -6.112  11.620  11.620
  430   1HA   GLY 310          2HA       GLY 310  -4.853  14.111  14.111
  431   2HA   GLY 310          1HA       GLY 310  -3.695  12.923  12.923
  432    H    ASN 311           H        ASN 311  -3.210  13.424  13.424
  433    HA   ASN 311           HA       ASN 311  -4.760  11.502  11.502
  434   1HB   ASN 311          2HB       ASN 311  -2.773  13.654  13.654
  435   2HB   ASN 311          1HB       ASN 311  -3.633  12.605  12.605
  436   1HD2  ASN 311          1HD2      ASN 311  -4.428  14.898  14.898
  437   2HD2  ASN 311          2HD2      ASN 311  -5.827  15.490  15.490
  438    H    THR 312           H        THR 312  -2.022  11.560  11.560
  439    HA   THR 312           HA       THR 312  -0.622   9.595   9.595
  440    HB   THR 312           HB       THR 312   0.541  11.200  11.200
  441    HG1  THR 312           HG1      THR 312   1.635  12.160  12.160
  442   1HG2  THR 312          3HG2      THR 312   1.644   9.254   9.254
  443   2HG2  THR 312          2HG2      THR 312   2.681  10.482  10.482
  444   3HG2  THR 312          1HG2      THR 312   1.882   9.288   9.288
  445    H    PHE 313           H        PHE 313   0.437   7.781   7.781
  446    HA   PHE 313           HA       PHE 313  -0.170   7.174   7.174
  447   1HB   PHE 313          2HB       PHE 313  -1.965   5.595   5.595
  448   2HB   PHE 313          1HB       PHE 313  -2.489   7.054   7.054
  449    HD1  PHE 313           HD1      PHE 313  -1.598   7.121   7.121
  450    HD2  PHE 313           HD2      PHE 313  -2.369   3.589   3.589
  451    HE1  PHE 313           HE1      PHE 313  -1.891   5.815   5.815
  452    HE2  PHE 313           HE2      PHE 313  -2.661   2.282   2.282
  453    HZ   PHE 313           HZ       PHE 313  -2.423   3.394   3.394
  454    H    GLY 314           H        GLY 314   0.623   5.029   5.029
  455   1HA   GLY 314          2HA       GLY 314   2.183   3.721   3.721
  456   2HA   GLY 314          1HA       GLY 314   2.871   3.973   3.973
  457    H    VAL 315           H        VAL 315   2.755   1.399   1.399
  458    HA   VAL 315           HA       VAL 315   0.730   0.178   0.178
  459    HB   VAL 315           HB       VAL 315   0.406  -1.629  -1.629
  460   1HG1  VAL 315          2HG1      VAL 315  -0.924   0.704   0.704
  461   2HG1  VAL 315          1HG1      VAL 315  -0.426   0.890   0.890
  462   3HG1  VAL 315          3HG1      VAL 315  -1.395  -0.500  -0.500
  463   1HG2  VAL 315          1HG2      VAL 315   2.078   0.337   0.337
  464   2HG2  VAL 315          3HG2      VAL 315   2.278  -1.409  -1.409
  465   3HG2  VAL 315          2HG2      VAL 315   0.951  -0.746  -0.746
  466    H    THR 316           H        THR 316   1.318  -2.183  -2.183
  467    HA   THR 316           HA       THR 316   4.297  -2.472  -2.472
  468    HB   THR 316           HB       THR 316   2.293  -3.544  -3.544
  469    HG1  THR 316           HG1      THR 316   4.264  -1.681  -1.681
  470   1HG2  THR 316          3HG2      THR 316   4.707  -4.614  -4.614
  471   2HG2  THR 316          2HG2      THR 316   5.197  -3.394  -3.394
  472   3HG2  THR 316          1HG2      THR 316   4.021  -4.630  -4.630
  473    H    VAL 317           H        VAL 317   4.769  -3.936  -3.936
  474    HA   VAL 317           HA       VAL 317   2.934  -6.252  -6.252
  475    HB   VAL 317           HB       VAL 317   5.266  -5.347  -5.347
  476   1HG1  VAL 317          2HG1      VAL 317   2.981  -7.278  -7.278
  477   2HG1  VAL 317          1HG1      VAL 317   4.220  -6.823  -6.823
  478   3HG1  VAL 317          3HG1      VAL 317   4.662  -7.730  -7.730
  479   1HG2  VAL 317          2HG2      VAL 317   2.782  -4.096  -4.096
  480   2HG2  VAL 317          1HG2      VAL 317   3.894  -3.845  -3.845
  481   3HG2  VAL 317          3HG2      VAL 317   2.597  -5.032  -5.032
  482    H    MET 318           H        MET 318   3.776  -8.402  -8.402
  483    HA   MET 318           HA       MET 318   6.247  -8.644  -8.644
  484   1HB   MET 318          2HB       MET 318   3.894 -10.466 -10.466
  485   2HB   MET 318          1HB       MET 318   5.387 -11.074 -11.074
  486   1HG   MET 318          2HG       MET 318   5.147  -9.086  -9.086
  487   2HG   MET 318          1HG       MET 318   3.473  -9.022  -9.022
  488   1HE   MET 318          1HE       MET 318   5.475  -9.703  -9.703
  489   2HE   MET 318          3HE       MET 318   4.868 -11.060 -11.060
  490   3HE   MET 318          2HE       MET 318   6.096 -11.327 -11.327
  491    H    LYS 319           H        LYS 319   8.064  -9.630  -9.630
  492    HA   LYS 319           HA       LYS 319   8.581  -9.865  -9.865
  493   1HB   LYS 319          2HB       LYS 319   9.728 -11.456 -11.456
  494   2HB   LYS 319          1HB       LYS 319  10.381 -11.521 -11.521
  495   1HG   LYS 319          2HG       LYS 319  10.092  -9.005  -9.005
  496   2HG   LYS 319          1HG       LYS 319  11.601  -9.875  -9.875
  497   1HD   LYS 319          2HD       LYS 319  11.163  -9.557  -9.557
  498   2HD   LYS 319          1HD       LYS 319   9.893  -8.425  -8.425
  499   1HE   LYS 319          2HE       LYS 319  11.614  -6.915  -6.915
  500   2HE   LYS 319          1HE       LYS 319  11.905  -7.479  -7.479
  501   1HZ   LYS 319          2HZ       LYS 319  13.115  -8.858  -8.858
  502   2HZ   LYS 319          1HZ       LYS 319  13.847  -7.479  -7.479
  503   3HZ   LYS 319          3HZ       LYS 319  13.614  -8.861  -8.861
  504    H    ASN 320           H        ASN 320   8.128 -12.778 -12.778
  505    HA   ASN 320           HA       ASN 320   7.113 -14.830 -14.830
  506   1HB   ASN 320          2HB       ASN 320   5.573 -13.032 -13.032
  507   2HB   ASN 320          1HB       ASN 320   5.173 -14.724 -14.724
  508   1HD2  ASN 320          1HD2      ASN 320   3.072 -13.495 -13.495
  509   2HD2  ASN 320          2HD2      ASN 320   3.040 -13.063 -13.063
  510    H    GLY 321           H        GLY 321   9.492 -13.747 -13.747
  511   1HA   GLY 321          2HA       GLY 321  10.842 -15.070 -15.070
  512   2HA   GLY 321          1HA       GLY 321   9.364 -15.772 -15.772
  513    H    SER 322           H        SER 322   8.085 -13.072 -13.072
  514    HA   SER 322           HA       SER 322   9.449 -12.229 -12.229
  515   1HB   SER 322          2HB       SER 322   6.816 -12.822 -12.822
  516   2HB   SER 322          1HB       SER 322   6.807 -11.076 -11.076
  517    HG   SER 322           HG       SER 322   6.646 -11.216 -11.216
  518    H    SER 323           H        SER 323   9.928 -10.005 -10.005
  519    HA   SER 323           HA       SER 323   9.780  -8.305  -8.305
  520   1HB   SER 323          2HB       SER 323  12.088  -8.917  -8.917
  521   2HB   SER 323          1HB       SER 323  12.008  -8.570  -8.570
  522    HG   SER 323           HG       SER 323  12.579  -6.627  -6.627
  523    H    THR 324           H        THR 324   9.757  -8.405  -8.405
  524    HA   THR 324           HA       THR 324   9.530  -5.776  -5.776
  525    HB   THR 324           HB       THR 324   7.417  -7.594  -7.594
  526    HG1  THR 324           HG1      THR 324   8.803  -9.053  -9.053
  527   1HG2  THR 324          2HG2      THR 324   7.998  -5.386  -5.386
  528   2HG2  THR 324          1HG2      THR 324   9.630  -5.988  -5.988
  529   3HG2  THR 324          3HG2      THR 324   8.258  -6.726  -6.726
  530    H    THR 325           H        THR 325   8.350  -4.142  -4.142
  531    HA   THR 325           HA       THR 325   6.248  -4.418  -4.418
  532    HB   THR 325           HB       THR 325   5.587  -2.050  -2.050
  533    HG1  THR 325           HG1      THR 325   6.789  -1.969  -1.969
  534   1HG2  THR 325          3HG2      THR 325   7.509  -3.003  -3.003
  535   2HG2  THR 325          2HG2      THR 325   8.095  -1.524  -1.524
  536   3HG2  THR 325          1HG2      THR 325   6.524  -1.540  -1.540
  537    HA   PRO 326           HA       PRO 326   2.693  -5.402  -5.402
  538   1HB   PRO 326          2HB       PRO 326   0.768  -3.990  -3.990
  539   2HB   PRO 326          1HB       PRO 326   1.513  -5.478  -5.478
  540   1HG   PRO 326          2HG       PRO 326   1.961  -2.666  -2.666
  541   2HG   PRO 326          1HG       PRO 326   2.182  -4.165  -4.165
  542   1HD   PRO 326          2HD       PRO 326   4.239  -2.622  -2.622
  543   2HD   PRO 326          1HD       PRO 326   4.403  -4.269  -4.269
  544    H    ALA 327           H        ALA 327   0.885  -4.425  -4.425
  545    HA   ALA 327           HA       ALA 327   1.819  -1.901  -1.901
  546   1HB   ALA 327          3HB       ALA 327   0.696  -4.263  -4.263
  547   2HB   ALA 327          2HB       ALA 327  -0.580  -3.057  -3.057
  548   3HB   ALA 327          1HB       ALA 327   0.994  -2.774  -2.774
  549    H    ALA 328           H        ALA 328  -0.045  -0.360  -0.360
  550    HA   ALA 328           HA       ALA 328  -2.274  -0.333  -0.333
  551   1HB   ALA 328          3HB       ALA 328  -0.014   1.625   1.625
  552   2HB   ALA 328          2HB       ALA 328  -1.634   2.226   2.226
  553   3HB   ALA 328          1HB       ALA 328  -0.906   0.994   0.994
  554    H    THR 329           H        THR 329  -4.042   0.941   0.941
  555    HA   THR 329           HA       THR 329  -3.747   2.313   2.313
  556    HB   THR 329           HB       THR 329  -5.875   1.222   1.222
  557    HG1  THR 329           HG1      THR 329  -6.151  -0.870  -0.870
  558   1HG2  THR 329          1HG2      THR 329  -3.338   0.340   0.340
  559   2HG2  THR 329          3HG2      THR 329  -4.050  -1.051  -1.051
  560   3HG2  THR 329          2HG2      THR 329  -4.714  -0.497  -0.497
  561    H    CYS 330           H        CYS 330  -4.751   4.268   4.268
  562    HA   CYS 330           HA       CYS 330  -6.345   4.960   4.960
  563   1HB   CYS 330          2HB       CYS 330  -6.225   7.217   7.217
  564   2HB   CYS 330          1HB       CYS 330  -4.652   6.500   6.500
  565    H    ALA 331           H        ALA 331  -8.439   6.274   6.274
  566    HA   ALA 331           HA       ALA 331  -9.973   4.965   4.965
  567   1HB   ALA 331          3HB       ALA 331 -10.757   5.384   5.384
  568   2HB   ALA 331          2HB       ALA 331 -11.956   5.107   5.107
  569   3HB   ALA 331          1HB       ALA 331 -10.741   3.877   3.877
  570    H    GLY 332           H        GLY 332 -11.145   6.378   6.378
  571   1HA   GLY 332          2HA       GLY 332 -11.499   9.157   9.157
  572   2HA   GLY 332          1HA       GLY 332 -10.983   8.859   8.859
  573    H    SER 333           HN       SER 333 -13.157   6.491   6.491
  574    HA   SER 333           HA       SER 333 -15.310   7.766   7.766
  575   1HB   SER 333          2HB       SER 333 -16.218   5.569   5.569
  576   2HB   SER 333          1HB       SER 333 -14.476   5.402   5.402
  577    HG   SER 333           HG       SER 333 -14.420   4.207   4.207

  Start of MODEL    4
    1   1H    THR 247          1H        THR 247  -7.426  11.995  11.995
    2   2H    THR 247          3H        THR 247  -5.815  12.523  12.523
    3   3H    THR 247          2H        THR 247  -6.318  11.393  11.393
    4    HA   THR 247           HA       THR 247  -6.254   9.652   9.652
    5    HB   THR 247           HB       THR 247  -4.327   9.837   9.837
    6    HG1  THR 247           HG1      THR 247  -3.560  12.215  12.215
    7   1HG2  THR 247          2HG2      THR 247  -4.241  11.460  11.460
    8   2HG2  THR 247          1HG2      THR 247  -2.792  11.251  11.251
    9   3HG2  THR 247          3HG2      THR 247  -3.602   9.843   9.843
   10    H    GLY 248           H        GLY 248  -6.855  12.663  12.663
   11   1HA   GLY 248          2HA       GLY 248  -8.620  12.942  12.942
   12   2HA   GLY 248          1HA       GLY 248  -8.766  11.187  11.187
   13    H    CYS 249           H        CYS 249  -7.118  10.026  10.026
   14    HA   CYS 249           HA       CYS 249  -5.501  11.748  11.748
   15   1HB   CYS 249          2HB       CYS 249  -6.169  10.279  10.279
   16   2HB   CYS 249          1HB       CYS 249  -7.531  11.176  11.176
   17    H    SER 250           H        SER 250  -3.877  10.320  10.320
   18    HA   SER 250           HA       SER 250  -3.188   7.796   7.796
   19   1HB   SER 250          2HB       SER 250  -1.005   8.490   8.490
   20   2HB   SER 250          1HB       SER 250  -2.127   9.705   9.705
   21    HG   SER 250           HG       SER 250  -0.901  11.043  11.043
   22    H    VAL 251           H        VAL 251  -1.061   6.939   6.939
   23    HA   VAL 251           HA       VAL 251  -1.033   7.703   7.703
   24    HB   VAL 251           HB       VAL 251  -0.645   4.841   4.841
   25   1HG1  VAL 251          3HG1      VAL 251  -1.051   6.430   6.430
   26   2HG1  VAL 251          2HG1      VAL 251  -2.437   5.351   5.351
   27   3HG1  VAL 251          1HG1      VAL 251  -0.804   4.687   4.687
   28   1HG2  VAL 251          1HG2      VAL 251  -2.647   5.509   5.509
   29   2HG2  VAL 251          3HG2      VAL 251  -3.066   4.421   4.421
   30   3HG2  VAL 251          2HG2      VAL 251  -3.378   6.152   6.152
   31    H    THR 252           H        THR 252   0.966   6.648   6.648
   32    HA   THR 252           HA       THR 252   3.229   6.106   6.106
   33    HB   THR 252           HB       THR 252   4.305   8.135   8.135
   34    HG1  THR 252           HG1      THR 252   2.663   9.793   9.793
   35   1HG2  THR 252          2HG2      THR 252   3.321   8.166   8.166
   36   2HG2  THR 252          1HG2      THR 252   4.410   9.369   9.369
   37   3HG2  THR 252          3HG2      THR 252   4.924   7.687   7.687
   38    H    ALA 253           H        ALA 253   4.256   4.474   4.474
   39    HA   ALA 253           HA       ALA 253   4.207   4.474   4.474
   40   1HB   ALA 253          3HB       ALA 253   3.785   2.396   2.396
   41   2HB   ALA 253          2HB       ALA 253   5.016   1.940   1.940
   42   3HB   ALA 253          1HB       ALA 253   3.397   2.384   2.384
   43    H    THR 254           H        THR 254   6.176   4.016   4.016
   44    HA   THR 254           HA       THR 254   8.641   3.700   3.700
   45    HB   THR 254           HB       THR 254   8.084   6.119   6.119
   46    HG1  THR 254           HG1      THR 254   8.542   7.202   7.202
   47   1HG2  THR 254          1HG2      THR 254  10.588   4.731   4.731
   48   2HG2  THR 254          3HG2      THR 254  10.598   6.442   6.442
   49   3HG2  THR 254          2HG2      THR 254  10.267   5.953   5.953
   50    H    ARG 255           H        ARG 255  10.024   2.384   2.384
   51    HA   ARG 255           HA       ARG 255   9.284   1.473   1.473
   52   1HB   ARG 255          2HB       ARG 255  11.576   0.833   0.833
   53   2HB   ARG 255          1HB       ARG 255  11.461   0.142   0.142
   54   1HG   ARG 255          2HG       ARG 255   8.905  -0.169  -0.169
   55   2HG   ARG 255          1HG       ARG 255  10.069  -0.650  -0.650
   56   1HD   ARG 255          2HD       ARG 255  10.042  -1.670  -1.670
   57   2HD   ARG 255          1HD       ARG 255   9.433  -2.556  -2.556
   58    HE   ARG 255           HE       ARG 255  12.306  -1.773  -1.773
   59   1HH1  ARG 255          1HH2      ARG 255  11.451  -4.539  -4.539
   60   2HH1  ARG 255          2HH2      ARG 255  11.767  -5.450  -5.450
   61   1HH2  ARG 255          1HH1      ARG 255  11.993  -2.652  -2.652
   62   2HH2  ARG 255          2HH1      ARG 255  12.074  -4.381  -4.381
   63    H    ALA 256           H        ALA 256  10.253   2.047   2.047
   64    HA   ALA 256           HA       ALA 256  12.298   4.218   4.218
   65   1HB   ALA 256          2HB       ALA 256   9.895   3.923   3.923
   66   2HB   ALA 256          1HB       ALA 256  11.256   3.918   3.918
   67   3HB   ALA 256          3HB       ALA 256  11.032   5.270   5.270
   68    H    GLU 257           H        GLU 257  11.431   1.753   1.753
   69    HA   GLU 257           HA       GLU 257  14.354   1.222   1.222
   70   1HB   GLU 257          2HB       GLU 257  12.037   0.764   0.764
   71   2HB   GLU 257          1HB       GLU 257  13.699   0.270   0.270
   72   1HG   GLU 257          2HG       GLU 257  13.160   3.113   3.113
   73   2HG   GLU 257          1HG       GLU 257  12.818   2.606   2.606
   74    H    GLU 258           H        GLU 258  15.119  -0.834  -0.834
   75    HA   GLU 258           HA       GLU 258  13.086  -2.871  -2.871
   76   1HB   GLU 258          2HB       GLU 258  15.866  -2.250  -2.250
   77   2HB   GLU 258          1HB       GLU 258  15.236  -3.889  -3.889
   78   1HG   GLU 258          2HG       GLU 258  13.144  -2.220  -2.220
   79   2HG   GLU 258          1HG       GLU 258  14.602  -1.519  -1.519
   80    H    TRP 259           H        TRP 259  12.971  -4.698  -4.698
   81    HA   TRP 259           HA       TRP 259  15.269  -5.289  -5.289
   82   1HB   TRP 259          2HB       TRP 259  12.294  -5.468  -5.468
   83   2HB   TRP 259          1HB       TRP 259  13.511  -6.212  -6.212
   84    HD1  TRP 259           HD1      TRP 259  15.552  -4.356  -4.356
   85    HE1  TRP 259           HE1      TRP 259  15.186  -1.971  -1.971
   86    HE3  TRP 259           HE3      TRP 259  10.806  -3.489  -3.489
   87    HZ2  TRP 259           HZ2      TRP 259  13.150   0.039   0.039
   88    HZ3  TRP 259           HZ3      TRP 259   9.679  -1.334  -1.334
   89    HH2  TRP 259           HH2      TRP 259  10.844   0.430   0.430
   90    H    SER 260           H        SER 260  15.088  -7.683  -7.683
   91    HA   SER 260           HA       SER 260  14.785  -9.333  -9.333
   92   1HB   SER 260          2HB       SER 260  15.894  -9.905  -9.905
   93   2HB   SER 260          1HB       SER 260  15.768 -11.128 -11.128
   94    HG   SER 260           HG       SER 260  17.812  -9.856  -9.856
   95    H    ASP 261           H        ASP 261  12.669  -8.293  -8.293
   96    HA   ASP 261           HA       ASP 261  11.188 -10.893 -10.893
   97   1HB   ASP 261          2HB       ASP 261   9.985  -9.746  -9.746
   98   2HB   ASP 261          1HB       ASP 261  11.586 -10.441 -10.441
   99    H    ARG 262           H        ARG 262  11.097  -7.470  -7.470
  100    HA   ARG 262           HA       ARG 262   8.817  -7.756  -7.756
  101   1HB   ARG 262          2HB       ARG 262   7.186  -6.434  -6.434
  102   2HB   ARG 262          1HB       ARG 262   7.626  -7.893  -7.893
  103   1HG   ARG 262          2HG       ARG 262   9.489  -6.304  -6.304
  104   2HG   ARG 262          1HG       ARG 262   8.344  -5.043  -5.043
  105   1HD   ARG 262          2HD       ARG 262   6.553  -6.343  -6.343
  106   2HD   ARG 262          1HD       ARG 262   7.824  -7.404  -7.404
  107    HE   ARG 262           HE       ARG 262   8.212  -4.524  -4.524
  108   1HH1  ARG 262          1HH2      ARG 262   9.424  -6.865  -6.865
  109   2HH1  ARG 262          2HH2      ARG 262   8.521  -6.796  -6.796
  110   1HH2  ARG 262          1HH1      ARG 262   6.046  -4.744  -4.744
  111   2HH2  ARG 262          2HH1      ARG 262   6.608  -5.595  -5.595
  112    H    PHE 263           H        PHE 263   8.186  -5.611  -5.611
  113    HA   PHE 263           HA       PHE 263  10.340  -3.572  -3.572
  114   1HB   PHE 263          2HB       PHE 263  10.139  -3.063  -3.063
  115   2HB   PHE 263          1HB       PHE 263  10.680  -4.717  -4.717
  116    HD1  PHE 263           HD1      PHE 263   7.703  -2.635  -2.635
  117    HD2  PHE 263           HD2      PHE 263   9.385  -6.586  -6.586
  118    HE1  PHE 263           HE1      PHE 263   5.761  -3.496  -3.496
  119    HE2  PHE 263           HE2      PHE 263   7.442  -7.448  -7.448
  120    HZ   PHE 263           HZ       PHE 263   5.631  -5.903  -5.903
  121    H    ASN 264           H        ASN 264   9.652  -1.406  -1.406
  122    HA   ASN 264           HA       ASN 264   6.777  -1.014  -1.014
  123   1HB   ASN 264          2HB       ASN 264   9.262   0.620   0.620
  124   2HB   ASN 264          1HB       ASN 264   7.720   1.466   1.466
  125   1HD2  ASN 264          1HD2      ASN 264   8.459   1.963   1.963
  126   2HD2  ASN 264          2HD2      ASN 264   7.896   0.878   0.878
  127    H    VAL 265           H        VAL 265   5.551   0.649   0.649
  128    HA   VAL 265           HA       VAL 265   6.643   1.282   1.282
  129    HB   VAL 265           HB       VAL 265   3.761   0.495   0.495
  130   1HG1  VAL 265          3HG1      VAL 265   5.836   0.651   0.651
  131   2HG1  VAL 265          2HG1      VAL 265   4.432  -0.398  -0.398
  132   3HG1  VAL 265          1HG1      VAL 265   4.213   1.336   1.336
  133   1HG2  VAL 265          2HG2      VAL 265   6.158  -1.341  -1.341
  134   2HG2  VAL 265          1HG2      VAL 265   4.748  -1.432  -1.432
  135   3HG2  VAL 265          3HG2      VAL 265   4.598  -1.841  -1.841
  136    H    THR 266           H        THR 266   5.709   3.194   3.194
  137    HA   THR 266           HA       THR 266   4.082   4.827   4.827
  138    HB   THR 266           HB       THR 266   6.191   5.959   5.959
  139    HG1  THR 266           HG1      THR 266   7.359   6.136   6.136
  140   1HG2  THR 266          2HG2      THR 266   4.127   7.122   7.122
  141   2HG2  THR 266          1HG2      THR 266   5.556   7.362   7.362
  142   3HG2  THR 266          3HG2      THR 266   5.536   7.957   7.957
  143    H    TYR 267           H        TYR 267   2.148   4.357   4.357
  144    HA   TYR 267           HA       TYR 267   2.055   4.999   4.999
  145   1HB   TYR 267          2HB       TYR 267   0.087   3.806   3.806
  146   2HB   TYR 267          1HB       TYR 267  -0.410   4.317   4.317
  147    HD1  TYR 267           HD2      TYR 267   0.456   3.196   3.196
  148    HD2  TYR 267           HD1      TYR 267   1.570   1.901   1.901
  149    HE1  TYR 267           HE2      TYR 267   1.332   1.077   1.077
  150    HE2  TYR 267           HE1      TYR 267   2.446  -0.219  -0.219
  151    HH   TYR 267           HH       TYR 267   1.683  -1.391  -1.391
  152    H    SER 268           H        SER 268   0.874   6.751   6.751
  153    HA   SER 268           HA       SER 268  -0.713   8.464   8.464
  154   1HB   SER 268          2HB       SER 268   0.670  10.380  10.380
  155   2HB   SER 268          1HB       SER 268   1.783   9.062   9.062
  156    HG   SER 268           HG       SER 268   2.668  10.284  10.284
  157    H    VAL 269           H        VAL 269  -1.781  10.193  10.193
  158    HA   VAL 269           HA       VAL 269  -1.587   9.857   9.857
  159    HB   VAL 269           HB       VAL 269  -4.115   9.848   9.848
  160   1HG1  VAL 269          3HG1      VAL 269  -3.729  10.990  10.990
  161   2HG1  VAL 269          2HG1      VAL 269  -4.490   9.426   9.426
  162   3HG1  VAL 269          1HG1      VAL 269  -5.270  10.601  10.601
  163   1HG2  VAL 269          1HG2      VAL 269  -2.818   7.857   7.857
  164   2HG2  VAL 269          3HG2      VAL 269  -3.097   7.661   7.661
  165   3HG2  VAL 269          2HG2      VAL 269  -4.462   7.691   7.691
  166    H    SER 270           H        SER 270  -1.849  11.781  11.781
  167    HA   SER 270           HA       SER 270  -2.283  14.224  14.224
  168   1HB   SER 270          2HB       SER 270   0.016  13.838  13.838
  169   2HB   SER 270          1HB       SER 270  -0.796  14.154  14.154
  170    HG   SER 270           HG       SER 270  -1.521  16.150  16.150
  171    H    GLY 271           H        GLY 271  -3.834  15.679  15.679
  172   1HA   GLY 271          2HA       GLY 271  -4.998  16.632  16.632
  173   2HA   GLY 271          1HA       GLY 271  -5.279  14.955  14.955
  174    H    SER 272           H        SER 272  -5.626  14.511  14.511
  175    HA   SER 272           HA       SER 272  -7.836  15.873  15.873
  176   1HB   SER 272          2HB       SER 272  -8.569  14.450  14.450
  177   2HB   SER 272          1HB       SER 272  -9.276  13.587  13.587
  178    HG   SER 272           HG       SER 272  -9.432  16.400  16.400
  179    H    SER 273           H        SER 273  -9.044  14.524  14.524
  180    HA   SER 273           HA       SER 273  -7.212  12.397  12.397
  181   1HB   SER 273          2HB       SER 273  -8.112  12.857  12.857
  182   2HB   SER 273          1HB       SER 273  -7.685  14.398  14.398
  183    HG   SER 273           HG       SER 273  -9.943  14.468  14.468
  184    H    ALA 274           H        ALA 274 -10.455  13.008  13.008
  185    HA   ALA 274           HA       ALA 274 -11.543  10.509  10.509
  186   1HB   ALA 274          3HB       ALA 274 -12.725  12.800  12.800
  187   2HB   ALA 274          2HB       ALA 274 -12.867  11.850  11.850
  188   3HB   ALA 274          1HB       ALA 274 -13.566  11.249  11.249
  189    H    TRP 275           H        TRP 275  -9.761   9.167   9.167
  190    HA   TRP 275           HA       TRP 275 -10.349   8.460   8.460
  191   1HB   TRP 275          2HB       TRP 275  -7.847   7.849   7.849
  192   2HB   TRP 275          1HB       TRP 275  -8.248   9.567   9.567
  193    HD1  TRP 275           HD1      TRP 275  -7.143  11.013  11.013
  194    HE1  TRP 275           HE1      TRP 275  -5.863  10.562  10.562
  195    HE3  TRP 275           HE3      TRP 275  -7.753   5.952   5.952
  196    HZ2  TRP 275           HZ2      TRP 275  -5.186   8.351   8.351
  197    HZ3  TRP 275           HZ3      TRP 275  -6.782   4.702   4.702
  198    HH2  TRP 275           HH2      TRP 275  -5.500   5.893   5.893
  199    H    THR 276           H        THR 276  -9.873   6.193   6.193
  200    HA   THR 276           HA       THR 276 -10.057   4.449   4.449
  201    HB   THR 276           HB       THR 276 -10.808   3.503   3.503
  202    HG1  THR 276           HG1      THR 276 -12.416   5.083   5.083
  203   1HG2  THR 276          2HG2      THR 276 -10.774   2.299   2.299
  204   2HG2  THR 276          1HG2      THR 276 -12.416   2.945   2.945
  205   3HG2  THR 276          3HG2      THR 276 -11.896   1.852   1.852
  206    H    VAL 277           H        VAL 277  -7.842   4.074   4.074
  207    HA   VAL 277           HA       VAL 277  -6.101   3.354   3.354
  208    HB   VAL 277           HB       VAL 277  -5.725   3.412   3.412
  209   1HG1  VAL 277          1HG1      VAL 277  -4.062   2.190   2.190
  210   2HG1  VAL 277          3HG1      VAL 277  -3.210   3.176   3.176
  211   3HG1  VAL 277          2HG1      VAL 277  -4.162   1.787   1.787
  212   1HG2  VAL 277          3HG2      VAL 277  -5.761   5.461   5.461
  213   2HG2  VAL 277          2HG2      VAL 277  -4.682   5.433   5.433
  214   3HG2  VAL 277          1HG2      VAL 277  -4.081   4.963   4.963
  215    H    ASN 278           H        ASN 278  -5.768   1.326   1.326
  216    HA   ASN 278           HA       ASN 278  -6.903  -0.946  -0.946
  217   1HB   ASN 278          2HB       ASN 278  -6.182  -0.898  -0.898
  218   2HB   ASN 278          1HB       ASN 278  -7.110  -2.134  -2.134
  219   1HD2  ASN 278          1HD2      ASN 278  -8.067  -0.510  -0.510
  220   2HD2  ASN 278          2HD2      ASN 278  -9.407   0.366   0.366
  221    H    LEU 279           H        LEU 279  -5.486  -2.452  -2.452
  222    HA   LEU 279           HA       LEU 279  -2.671  -2.329  -2.329
  223   1HB   LEU 279          2HB       LEU 279  -3.726  -2.894  -2.894
  224   2HB   LEU 279          1HB       LEU 279  -2.049  -3.155  -3.155
  225    HG   LEU 279           HG       LEU 279  -3.540  -0.516  -0.516
  226   1HD1  LEU 279          1HD1      LEU 279  -2.404  -1.757  -1.757
  227   2HD1  LEU 279          3HD1      LEU 279  -1.073  -0.766  -0.766
  228   3HD1  LEU 279          2HD1      LEU 279  -2.611  -0.013  -0.013
  229   1HD2  LEU 279          1HD2      LEU 279  -1.111  -1.495  -1.495
  230   2HD2  LEU 279          3HD2      LEU 279  -2.004   0.000   0.000
  231   3HD2  LEU 279          2HD2      LEU 279  -0.801  -0.080  -0.080
  232    H    ALA 280           H        ALA 280  -1.966  -4.193  -4.193
  233    HA   ALA 280           HA       ALA 280  -3.535  -6.680  -6.680
  234   1HB   ALA 280          3HB       ALA 280  -3.172  -5.566  -5.566
  235   2HB   ALA 280          2HB       ALA 280  -1.677  -6.498  -6.498
  236   3HB   ALA 280          1HB       ALA 280  -3.234  -7.316  -7.316
  237    H    LEU 281           H        LEU 281  -2.217  -7.071  -7.071
  238    HA   LEU 281           HA       LEU 281   0.623  -7.259  -7.259
  239   1HB   LEU 281          2HB       LEU 281  -1.568  -8.385  -8.385
  240   2HB   LEU 281          1HB       LEU 281   0.039  -9.095  -9.095
  241    HG   LEU 281           HG       LEU 281  -0.323  -7.222  -7.222
  242   1HD1  LEU 281          3HD1      LEU 281   1.875  -7.692  -7.692
  243   2HD1  LEU 281          2HD1      LEU 281   1.657  -5.943  -5.943
  244   3HD1  LEU 281          1HD1      LEU 281   1.879  -6.764  -6.764
  245   1HD2  LEU 281          1HD2      LEU 281  -0.658  -5.657  -5.657
  246   2HD2  LEU 281          3HD2      LEU 281  -1.829  -5.824  -5.824
  247   3HD2  LEU 281          2HD2      LEU 281  -0.348  -4.900  -4.900
  248    H    ASN 282           H        ASN 282   2.015  -9.007  -9.007
  249    HA   ASN 282           HA       ASN 282   0.842 -11.099 -11.099
  250   1HB   ASN 282          2HB       ASN 282   3.786 -10.787 -10.787
  251   2HB   ASN 282          1HB       ASN 282   2.969 -11.347 -11.347
  252   1HD2  ASN 282          1HD2      ASN 282   4.377  -8.596  -8.596
  253   2HD2  ASN 282          2HD2      ASN 282   3.819  -7.428  -7.428
  254    H    GLY 283           H        GLY 283   1.922 -13.340 -13.340
  255   1HA   GLY 283          2HA       GLY 283   1.980 -15.244 -15.244
  256   2HA   GLY 283          1HA       GLY 283   3.173 -14.298 -14.298
  257    H    SER 284           H        SER 284   2.420 -15.133 -15.133
  258    HA   SER 284           HA       SER 284  -0.361 -14.384 -14.384
  259   1HB   SER 284          2HB       SER 284   0.339 -15.758 -15.758
  260   2HB   SER 284          1HB       SER 284  -0.013 -16.619 -16.619
  261    HG   SER 284           HG       SER 284   2.242 -16.584 -16.584
  262    H    GLN 285           H        GLN 285   1.287 -12.197 -12.197
  263    HA   GLN 285           HA       GLN 285   2.691 -11.509 -11.509
  264   1HB   GLN 285          2HB       GLN 285   1.501  -9.749  -9.749
  265   2HB   GLN 285          1HB       GLN 285   2.592  -9.185  -9.185
  266   1HG   GLN 285          2HG       GLN 285   4.277 -10.873 -10.873
  267   2HG   GLN 285          1HG       GLN 285   3.207 -11.232 -11.232
  268   1HE2  GLN 285          1HE2      GLN 285   5.598  -9.010  -9.010
  269   2HE2  GLN 285          2HE2      GLN 285   5.521  -7.913  -7.913
  270    H    THR 286           H        THR 286   1.962  -9.709  -9.709
  271    HA   THR 286           HA       THR 286  -0.962  -9.347  -9.347
  272    HB   THR 286           HB       THR 286  -1.163 -10.241 -10.241
  273    HG1  THR 286           HG1      THR 286   0.551 -10.734 -10.734
  274   1HG2  THR 286          3HG2      THR 286  -1.041 -11.883 -11.883
  275   2HG2  THR 286          2HG2      THR 286   0.627 -12.196 -12.196
  276   3HG2  THR 286          1HG2      THR 286  -0.695 -12.563 -12.563
  277    H    ILE 287           H        ILE 287  -1.501  -7.453  -7.453
  278    HA   ILE 287           HA       ILE 287   0.761  -5.615  -5.615
  279    HB   ILE 287           HB       ILE 287  -2.224  -5.122  -5.122
  280   1HG1  ILE 287          2HG1      ILE 287  -1.703  -5.775  -5.775
  281   2HG1  ILE 287          1HG1      ILE 287  -1.872  -4.018  -4.018
  282   1HG2  ILE 287          3HG2      ILE 287   0.225  -3.446  -3.446
  283   2HG2  ILE 287          2HG2      ILE 287  -1.142  -2.732  -2.732
  284   3HG2  ILE 287          1HG2      ILE 287  -1.337  -3.293  -3.293
  285   1HD1  ILE 287          1HD1      ILE 287   0.624  -3.851  -3.851
  286   2HD1  ILE 287          3HD1      ILE 287   0.716  -5.598  -5.598
  287   3HD1  ILE 287          2HD1      ILE 287   0.119  -4.568  -4.568
  288    H    GLN 288           H        GLN 288   1.434  -4.964  -4.964
  289    HA   GLN 288           HA       GLN 288  -0.050  -6.114  -6.114
  290   1HB   GLN 288          2HB       GLN 288   2.766  -6.062  -6.062
  291   2HB   GLN 288          1HB       GLN 288   2.501  -5.327  -5.327
  292   1HG   GLN 288          2HG       GLN 288   2.728  -7.593  -7.593
  293   2HG   GLN 288          1HG       GLN 288   0.977  -7.412  -7.412
  294   1HE2  GLN 288          1HE2      GLN 288   1.444  -9.930  -9.930
  295   2HE2  GLN 288          2HE2      GLN 288   1.586 -10.360 -10.360
  296    H    ALA 289           H        ALA 289   1.004  -3.209  -3.209
  297    HA   ALA 289           HA       ALA 289  -0.142  -1.659  -1.659
  298   1HB   ALA 289          1HB       ALA 289   2.642  -1.402  -1.402
  299   2HB   ALA 289          3HB       ALA 289   1.821   0.012   0.012
  300   3HB   ALA 289          2HB       ALA 289   2.117  -1.395  -1.395
  301    H    SER 290           H        SER 290  -0.811   0.513   0.513
  302    HA   SER 290           HA       SER 290  -0.605   1.348   1.348
  303   1HB   SER 290          2HB       SER 290  -3.234   1.174   1.174
  304   2HB   SER 290          1HB       SER 290  -2.216  -0.199  -0.199
  305    HG   SER 290           HG       SER 290  -4.102  -0.031  -0.031
  306    H    TRP 291           H        TRP 291  -0.999   3.531   3.531
  307    HA   TRP 291           HA       TRP 291  -2.741   4.750   4.750
  308   1HB   TRP 291          2HB       TRP 291  -0.982   6.487   6.487
  309   2HB   TRP 291          1HB       TRP 291  -0.532   4.875   4.875
  310    HD1  TRP 291           HD1      TRP 291   0.153   7.356   7.356
  311    HE1  TRP 291           HE1      TRP 291   2.408   6.746   6.746
  312    HE3  TRP 291           HE3      TRP 291   1.191   3.015   3.015
  313    HZ2  TRP 291           HZ2      TRP 291   4.391   4.690   4.690
  314    HZ3  TRP 291           HZ3      TRP 291   3.266   1.753   1.753
  315    HH2  TRP 291           HH2      TRP 291   4.866   2.584   2.584
  316    H    ASN 292           H        ASN 292  -3.452   6.907   6.907
  317    HA   ASN 292           HA       ASN 292  -4.010   8.612   8.612
  318   1HB   ASN 292          2HB       ASN 292  -1.392   7.829   7.829
  319   2HB   ASN 292          1HB       ASN 292  -2.339   7.908   7.908
  320   1HD2  ASN 292          1HD2      ASN 292  -2.066   9.855   9.855
  321   2HD2  ASN 292          2HD2      ASN 292  -2.062  11.355  11.355
  322    H    ALA 293           H        ALA 293  -4.562   5.436   5.436
  323    HA   ALA 293           HA       ALA 293  -6.745   5.681   5.681
  324   1HB   ALA 293          2HB       ALA 293  -4.981   6.015   6.015
  325   2HB   ALA 293          1HB       ALA 293  -4.271   4.463   4.463
  326   3HB   ALA 293          3HB       ALA 293  -5.879   4.524   4.524
  327    H    ASN 294           H        ASN 294  -7.533   3.410   3.410
  328    HA   ASN 294           HA       ASN 294  -6.688   1.438   1.438
  329   1HB   ASN 294          2HB       ASN 294  -9.425   1.640   1.640
  330   2HB   ASN 294          1HB       ASN 294  -8.966   0.661   0.661
  331   1HD2  ASN 294          1HD2      ASN 294 -10.378   3.610   3.610
  332   2HD2  ASN 294          2HD2      ASN 294 -10.164   4.431   4.431
  333    H    VAL 295           H        VAL 295  -7.138  -0.877  -0.877
  334    HA   VAL 295           HA       VAL 295  -6.989  -1.231  -1.231
  335    HB   VAL 295           HB       VAL 295  -5.077  -2.459  -2.459
  336   1HG1  VAL 295          3HG1      VAL 295  -5.529  -2.906  -2.906
  337   2HG1  VAL 295          2HG1      VAL 295  -4.005  -3.313  -3.313
  338   3HG1  VAL 295          1HG1      VAL 295  -5.497  -4.109  -4.109
  339   1HG2  VAL 295          2HG2      VAL 295  -5.005  -0.079  -0.079
  340   2HG2  VAL 295          1HG2      VAL 295  -3.915  -0.556  -0.556
  341   3HG2  VAL 295          3HG2      VAL 295  -3.663  -1.174  -1.174
  342    H    THR 296           H        THR 296  -8.638  -2.590  -2.590
  343    HA   THR 296           HA       THR 296  -9.084  -4.942  -4.942
  344    HB   THR 296           HB       THR 296 -11.439  -4.624  -4.624
  345    HG1  THR 296           HG1      THR 296 -12.462  -3.217  -3.217
  346   1HG2  THR 296          1HG2      THR 296  -9.816  -2.840  -2.840
  347   2HG2  THR 296          3HG2      THR 296 -10.726  -1.741  -1.741
  348   3HG2  THR 296          2HG2      THR 296 -11.573  -2.756  -2.756
  349    H    GLY 297           H        GLY 297 -11.063  -6.207  -6.207
  350   1HA   GLY 297          2HA       GLY 297 -11.661  -7.051  -7.051
  351   2HA   GLY 297          1HA       GLY 297 -10.215  -6.284  -6.284
  352    H    SER 298           H        SER 298 -10.601  -8.877  -8.877
  353    HA   SER 298           HA       SER 298  -8.248 -10.172 -10.172
  354   1HB   SER 298          2HB       SER 298  -9.909 -12.258 -12.258
  355   2HB   SER 298          1HB       SER 298  -9.388 -11.119 -11.119
  356    HG   SER 298           HG       SER 298 -11.590 -11.170 -11.170
  357    H    GLY 299           H        GLY 299  -8.413 -12.666 -12.666
  358   1HA   GLY 299          2HA       GLY 299  -8.781 -14.069 -14.069
  359   2HA   GLY 299          1HA       GLY 299  -9.791 -12.806 -12.806
  360    H    SER 300           H        SER 300  -6.354 -13.201 -13.201
  361    HA   SER 300           HA       SER 300  -4.403 -12.540 -12.540
  362   1HB   SER 300          2HB       SER 300  -6.011 -13.954 -13.954
  363   2HB   SER 300          1HB       SER 300  -5.501 -12.515 -12.515
  364    HG   SER 300           HG       SER 300  -3.867 -14.403 -14.403
  365    H    THR 301           H        THR 301  -6.387 -10.485 -10.485
  366    HA   THR 301           HA       THR 301  -5.334  -8.310  -8.310
  367    HB   THR 301           HB       THR 301  -7.838  -7.391  -7.391
  368    HG1  THR 301           HG1      THR 301  -9.193  -8.889  -8.889
  369   1HG2  THR 301          1HG2      THR 301  -6.201  -8.392  -8.392
  370   2HG2  THR 301          3HG2      THR 301  -7.650  -9.385  -9.385
  371   3HG2  THR 301          2HG2      THR 301  -7.768  -7.629  -7.629
  372    H    ARG 302           H        ARG 302  -6.030  -6.125  -6.125
  373    HA   ARG 302           HA       ARG 302  -6.680  -6.243  -6.243
  374   1HB   ARG 302          2HB       ARG 302  -3.921  -5.735  -5.735
  375   2HB   ARG 302          1HB       ARG 302  -4.486  -4.762  -4.762
  376   1HG   ARG 302          2HG       ARG 302  -5.207  -7.526  -7.526
  377   2HG   ARG 302          1HG       ARG 302  -3.477  -7.399  -7.399
  378   1HD   ARG 302          2HD       ARG 302  -3.365  -6.914  -6.914
  379   2HD   ARG 302          1HD       ARG 302  -3.817  -5.296  -5.296
  380    HE   ARG 302           HE       ARG 302  -6.238  -6.106  -6.106
  381   1HH1  ARG 302          1HH1      ARG 302  -4.552  -5.333  -5.333
  382   2HH1  ARG 302          2HH1      ARG 302  -4.912  -6.645  -6.645
  383   1HH2  ARG 302          1HH2      ARG 302  -6.234  -8.665  -8.665
  384   2HH2  ARG 302          2HH2      ARG 302  -5.863  -8.532  -8.532
  385    H    THR 303           H        THR 303  -8.449  -4.931  -4.931
  386    HA   THR 303           HA       THR 303  -8.093  -2.496  -2.496
  387    HB   THR 303           HB       THR 303 -10.303  -2.960  -2.960
  388    HG1  THR 303           HG1      THR 303 -10.178  -3.954  -3.954
  389   1HG2  THR 303          3HG2      THR 303  -9.870  -1.340  -1.340
  390   2HG2  THR 303          2HG2      THR 303 -11.498  -1.922  -1.922
  391   3HG2  THR 303          1HG2      THR 303 -10.666  -0.891  -0.891
  392    H    VAL 304           H        VAL 304  -8.650  -0.293  -0.293
  393    HA   VAL 304           HA       VAL 304  -7.880   0.041   0.041
  394    HB   VAL 304           HB       VAL 304  -6.158   1.051   1.051
  395   1HG1  VAL 304          3HG1      VAL 304  -6.638   2.122   2.122
  396   2HG1  VAL 304          2HG1      VAL 304  -4.939   1.906   1.906
  397   3HG1  VAL 304          1HG1      VAL 304  -5.975   2.921   2.921
  398   1HG2  VAL 304          2HG2      VAL 304  -5.736  -0.769  -0.769
  399   2HG2  VAL 304          1HG2      VAL 304  -5.478  -1.133  -1.133
  400   3HG2  VAL 304          3HG2      VAL 304  -4.387  -0.033  -0.033
  401    H    THR 305           H        THR 305  -9.019   1.752   1.752
  402    HA   THR 305           HA       THR 305  -9.924   3.853   3.853
  403    HB   THR 305           HB       THR 305 -12.139   3.801   3.801
  404    HG1  THR 305           HG1      THR 305 -12.664   2.926   2.926
  405   1HG2  THR 305          2HG2      THR 305 -11.368   1.783   1.783
  406   2HG2  THR 305          1HG2      THR 305 -11.396   0.880   0.880
  407   3HG2  THR 305          3HG2      THR 305 -12.878   1.608   1.608
  408    HA   PRO 306           HA       PRO 306  -8.463   6.592   6.592
  409   1HB   PRO 306          2HB       PRO 306  -9.845   8.839   8.839
  410   2HB   PRO 306          1HB       PRO 306  -8.431   8.212   8.212
  411   1HG   PRO 306          2HG       PRO 306 -11.311   8.068   8.068
  412   2HG   PRO 306          1HG       PRO 306  -9.875   8.055   8.055
  413   1HD   PRO 306          2HD       PRO 306 -11.413   5.793   5.793
  414   2HD   PRO 306          1HD       PRO 306  -9.798   5.764   5.764
  415    H    ASN 307           H        ASN 307  -9.643   8.513   8.513
  416    HA   ASN 307           HA       ASN 307 -12.334   7.656   7.656
  417   1HB   ASN 307          2HB       ASN 307 -11.691   7.309   7.309
  418   2HB   ASN 307          1HB       ASN 307 -10.651   6.294   6.294
  419   1HD2  ASN 307          1HD2      ASN 307 -10.715   9.164   9.164
  420   2HD2  ASN 307          2HD2      ASN 307  -9.032   9.382   9.382
  421    H    GLY 308           H        GLY 308 -10.733  10.074  10.074
  422   1HA   GLY 308          2HA       GLY 308 -11.184  12.392  12.392
  423   2HA   GLY 308          1HA       GLY 308 -12.185  12.068  12.068
  424    H    SER 309           H        SER 309  -8.731  11.454  11.454
  425    HA   SER 309           HA       SER 309  -8.054  13.171  13.171
  426   1HB   SER 309          2HB       SER 309  -7.843  11.053  11.053
  427   2HB   SER 309          1HB       SER 309  -7.282  10.305  10.305
  428    HG   SER 309           HG       SER 309  -5.873  12.226  12.226
  429    H    GLY 310           H        GLY 310  -5.893  11.105  11.105
  430   1HA   GLY 310          2HA       GLY 310  -4.772  13.574  13.574
  431   2HA   GLY 310          1HA       GLY 310  -3.723  12.333  12.333
  432    H    ASN 311           H        ASN 311  -3.212  12.817  12.817
  433    HA   ASN 311           HA       ASN 311  -4.718  10.760  10.760
  434   1HB   ASN 311          2HB       ASN 311  -2.795  12.695  12.695
  435   2HB   ASN 311          1HB       ASN 311  -4.241  11.956  11.956
  436   1HD2  ASN 311          1HD2      ASN 311  -5.911  12.583  12.583
  437   2HD2  ASN 311          2HD2      ASN 311  -6.200  14.254  14.254
  438    H    THR 312           H        THR 312  -1.943  11.075  11.075
  439    HA   THR 312           HA       THR 312  -0.466   9.158   9.158
  440    HB   THR 312           HB       THR 312   0.707  10.965  10.965
  441    HG1  THR 312           HG1      THR 312   0.011  12.252  12.252
  442   1HG2  THR 312          3HG2      THR 312   1.765   8.924   8.924
  443   2HG2  THR 312          2HG2      THR 312   2.753  10.355  10.355
  444   3HG2  THR 312          1HG2      THR 312   2.289   9.311   9.311
  445    H    PHE 313           H        PHE 313  -0.932   7.150   7.150
  446    HA   PHE 313           HA       PHE 313  -0.770   6.801   6.801
  447   1HB   PHE 313          2HB       PHE 313  -2.263   4.833   4.833
  448   2HB   PHE 313          1HB       PHE 313  -3.024   6.339   6.339
  449    HD1  PHE 313           HD2      PHE 313  -3.152   6.911   6.911
  450    HD2  PHE 313           HD1      PHE 313  -1.742   3.094   3.094
  451    HE1  PHE 313           HE2      PHE 313  -3.468   5.973   5.973
  452    HE2  PHE 313           HE1      PHE 313  -2.057   2.157   2.157
  453    HZ   PHE 313           HZ       PHE 313  -2.921   3.597   3.597
  454    H    GLY 314           H        GLY 314   0.387   4.958   4.958
  455   1HA   GLY 314          2HA       GLY 314   2.168   3.726   3.726
  456   2HA   GLY 314          1HA       GLY 314   2.653   4.009   4.009
  457    H    VAL 315           H        VAL 315   2.784   1.449   1.449
  458    HA   VAL 315           HA       VAL 315   0.933  -0.024  -0.024
  459    HB   VAL 315           HB       VAL 315   0.258  -1.563  -1.563
  460   1HG1  VAL 315          2HG1      VAL 315  -1.028   0.548   0.548
  461   2HG1  VAL 315          1HG1      VAL 315   0.028   1.293   1.293
  462   3HG1  VAL 315          3HG1      VAL 315  -1.017  -0.051  -0.051
  463   1HG2  VAL 315          1HG2      VAL 315   2.606  -0.542  -0.542
  464   2HG2  VAL 315          3HG2      VAL 315   1.593  -1.898  -1.898
  465   3HG2  VAL 315          2HG2      VAL 315   1.229  -0.269  -0.269
  466    H    THR 316           H        THR 316   1.811  -2.002  -2.002
  467    HA   THR 316           HA       THR 316   4.703  -2.358  -2.358
  468    HB   THR 316           HB       THR 316   3.036  -3.309  -3.309
  469    HG1  THR 316           HG1      THR 316   4.611  -1.892  -1.892
  470   1HG2  THR 316          2HG2      THR 316   5.906  -3.814  -3.814
  471   2HG2  THR 316          1HG2      THR 316   5.364  -3.933  -3.933
  472   3HG2  THR 316          3HG2      THR 316   4.673  -4.993  -4.993
  473    H    VAL 317           H        VAL 317   4.779  -3.751  -3.751
  474    HA   VAL 317           HA       VAL 317   2.975  -6.091  -6.091
  475    HB   VAL 317           HB       VAL 317   5.129  -5.202  -5.202
  476   1HG1  VAL 317          1HG1      VAL 317   2.925  -7.277  -7.277
  477   2HG1  VAL 317          3HG1      VAL 317   3.909  -6.741  -6.741
  478   3HG1  VAL 317          2HG1      VAL 317   4.662  -7.585  -7.585
  479   1HG2  VAL 317          3HG2      VAL 317   2.257  -4.507  -4.507
  480   2HG2  VAL 317          2HG2      VAL 317   3.567  -3.543  -3.543
  481   3HG2  VAL 317          1HG2      VAL 317   2.790  -4.789  -4.789
  482    H    MET 318           H        MET 318   3.620  -8.130  -8.130
  483    HA   MET 318           HA       MET 318   6.332  -8.449  -8.449
  484   1HB   MET 318          2HB       MET 318   4.087 -10.481 -10.481
  485   2HB   MET 318          1HB       MET 318   5.519 -10.567 -10.567
  486   1HG   MET 318          2HG       MET 318   3.805  -8.136  -8.136
  487   2HG   MET 318          1HG       MET 318   3.185  -9.638  -9.638
  488   1HE   MET 318          2HE       MET 318   4.304 -11.122 -11.122
  489   2HE   MET 318          1HE       MET 318   6.010 -11.143 -11.143
  490   3HE   MET 318          3HE       MET 318   5.521 -10.733 -10.733
  491    H    LYS 319           H        LYS 319   7.894  -9.856  -9.856
  492    HA   LYS 319           HA       LYS 319   7.992 -10.240 -10.240
  493   1HB   LYS 319          2HB       LYS 319   9.442 -11.667 -11.667
  494   2HB   LYS 319          1HB       LYS 319   9.825 -11.904 -11.904
  495   1HG   LYS 319          2HG       LYS 319   9.918  -9.268  -9.268
  496   2HG   LYS 319          1HG       LYS 319  11.311 -10.207 -10.207
  497   1HD   LYS 319          2HD       LYS 319  10.174 -10.025 -10.025
  498   2HD   LYS 319          1HD       LYS 319   9.341  -8.646  -8.646
  499   1HE   LYS 319          2HE       LYS 319  12.348  -8.987  -8.987
  500   2HE   LYS 319          1HE       LYS 319  11.511  -8.075  -8.075
  501   1HZ   LYS 319          2HZ       LYS 319  10.446  -7.142  -7.142
  502   2HZ   LYS 319          1HZ       LYS 319  12.094  -7.334  -7.334
  503   3HZ   LYS 319          3HZ       LYS 319  11.628  -6.362  -6.362
  504    H    ASN 320           H        ASN 320   7.966 -13.017 -13.017
  505    HA   ASN 320           HA       ASN 320   6.937 -15.115 -15.115
  506   1HB   ASN 320          2HB       ASN 320   4.840 -13.192 -13.192
  507   2HB   ASN 320          1HB       ASN 320   4.543 -14.930 -14.930
  508   1HD2  ASN 320          1HD2      ASN 320   2.911 -13.466 -13.466
  509   2HD2  ASN 320          2HD2      ASN 320   3.369 -13.664 -13.664
  510    H    GLY 321           H        GLY 321   8.576 -13.932 -13.932
  511   1HA   GLY 321          2HA       GLY 321   9.308 -15.273 -15.273
  512   2HA   GLY 321          1HA       GLY 321   7.661 -15.888 -15.888
  513    H    SER 322           H        SER 322   8.428 -12.485 -12.485
  514    HA   SER 322           HA       SER 322   8.114 -11.837 -11.837
  515   1HB   SER 322          2HB       SER 322   5.760 -12.194 -12.194
  516   2HB   SER 322          1HB       SER 322   6.031 -10.829 -10.829
  517    HG   SER 322           HG       SER 322   6.416  -9.547  -9.547
  518    H    SER 323           H        SER 323   9.618 -10.262 -10.262
  519    HA   SER 323           HA       SER 323  10.028  -8.351  -8.351
  520   1HB   SER 323          2HB       SER 323  12.049  -8.560  -8.560
  521   2HB   SER 323          1HB       SER 323  12.280  -8.342  -8.342
  522    HG   SER 323           HG       SER 323  12.104 -10.640 -10.640
  523    H    THR 324           H        THR 324   8.441  -8.533  -8.533
  524    HA   THR 324           HA       THR 324   9.207  -5.830  -5.830
  525    HB   THR 324           HB       THR 324   7.778  -8.191  -8.191
  526    HG1  THR 324           HG1      THR 324   9.214  -7.795  -7.795
  527   1HG2  THR 324          2HG2      THR 324   7.270  -5.310  -5.310
  528   2HG2  THR 324          1HG2      THR 324   7.184  -6.529  -6.529
  529   3HG2  THR 324          3HG2      THR 324   6.121  -6.642  -6.642
  530    H    THR 325           H        THR 325   7.944  -4.103  -4.103
  531    HA   THR 325           HA       THR 325   5.772  -4.295  -4.295
  532    HB   THR 325           HB       THR 325   5.271  -1.908  -1.908
  533    HG1  THR 325           HG1      THR 325   6.691  -1.353  -1.353
  534   1HG2  THR 325          3HG2      THR 325   7.363  -2.883  -2.883
  535   2HG2  THR 325          2HG2      THR 325   7.506  -1.212  -1.212
  536   3HG2  THR 325          1HG2      THR 325   6.042  -1.748  -1.748
  537    HA   PRO 326           HA       PRO 326   2.295  -5.134  -5.134
  538   1HB   PRO 326          2HB       PRO 326   0.378  -3.571  -3.571
  539   2HB   PRO 326          1HB       PRO 326   1.002  -5.073  -5.073
  540   1HG   PRO 326          2HG       PRO 326   1.572  -2.257  -2.257
  541   2HG   PRO 326          1HG       PRO 326   1.633  -3.724  -3.724
  542   1HD   PRO 326          2HD       PRO 326   3.862  -2.376  -2.376
  543   2HD   PRO 326          1HD       PRO 326   3.869  -4.013  -4.013
  544    H    ALA 327           H        ALA 327   0.514  -4.020  -4.020
  545    HA   ALA 327           HA       ALA 327   1.668  -1.556  -1.556
  546   1HB   ALA 327          2HB       ALA 327   0.314  -3.934  -3.934
  547   2HB   ALA 327          1HB       ALA 327  -0.371  -2.432  -2.432
  548   3HB   ALA 327          3HB       ALA 327   1.345  -2.774  -2.774
  549    H    ALA 328           H        ALA 328   0.534   0.344   0.344
  550    HA   ALA 328           HA       ALA 328  -2.158   0.216   0.216
  551   1HB   ALA 328          2HB       ALA 328   0.056   2.239   2.239
  552   2HB   ALA 328          1HB       ALA 328  -1.604   2.781   2.781
  553   3HB   ALA 328          3HB       ALA 328  -0.885   1.602   1.602
  554    H    THR 329           H        THR 329  -3.878   1.426   1.426
  555    HA   THR 329           HA       THR 329  -3.398   2.840   2.840
  556    HB   THR 329           HB       THR 329  -5.178   1.533   1.533
  557    HG1  THR 329           HG1      THR 329  -4.896  -0.487  -0.487
  558   1HG2  THR 329          2HG2      THR 329  -2.592   0.976   0.976
  559   2HG2  THR 329          1HG2      THR 329  -3.155  -0.473  -0.473
  560   3HG2  THR 329          3HG2      THR 329  -3.718  -0.119  -0.119
  561    H    CYS 330           H        CYS 330  -4.619   4.655   4.655
  562    HA   CYS 330           HA       CYS 330  -6.746   4.914   4.914
  563   1HB   CYS 330          2HB       CYS 330  -5.157   6.765   6.765
  564   2HB   CYS 330          1HB       CYS 330  -5.604   6.916   6.916
  565    H    ALA 331           H        ALA 331  -8.894   4.765   4.765
  566    HA   ALA 331           HA       ALA 331  -9.680   4.870   4.870
  567   1HB   ALA 331          2HB       ALA 331  -9.729   2.543   2.543
  568   2HB   ALA 331          1HB       ALA 331 -10.803   3.041   3.041
  569   3HB   ALA 331          3HB       ALA 331 -11.354   3.123   3.123
  570    H    GLY 332           H        GLY 332 -11.027   6.569   6.569
  571   1HA   GLY 332          2HA       GLY 332 -12.432   7.773   7.773
  572   2HA   GLY 332          1HA       GLY 332 -12.369   8.428   8.428
  573    H    SER 333           HN       SER 333 -14.460   7.136   7.136
  574    HA   SER 333           HA       SER 333 -16.107   5.792   5.792
  575   1HB   SER 333          2HB       SER 333 -15.452   4.700   4.700
  576   2HB   SER 333          1HB       SER 333 -16.783   5.687   5.687
  577    HG   SER 333           HG       SER 333 -18.171   4.529   4.529

  Start of MODEL    5
    1   1H    THR 247          1H        THR 247 -10.160  14.408  14.408
    2   2H    THR 247          3H        THR 247  -9.498  15.753  15.753
    3   3H    THR 247          2H        THR 247 -11.150  15.731  15.731
    4    HA   THR 247           HA       THR 247 -11.694  14.260  14.260
    5    HB   THR 247           HB       THR 247  -9.301  15.416  15.416
    6    HG1  THR 247           HG1      THR 247  -9.719  17.233  17.233
    7   1HG2  THR 247          1HG2      THR 247 -12.253  15.115  15.115
    8   2HG2  THR 247          3HG2      THR 247 -11.171  16.052  16.052
    9   3HG2  THR 247          2HG2      THR 247 -10.905  14.322  14.322
   10    H    GLY 248           H        GLY 248  -8.105  14.295  14.295
   11   1HA   GLY 248          2HA       GLY 248  -8.219  11.356  11.356
   12   2HA   GLY 248          1HA       GLY 248  -6.911  12.403  12.403
   13    H    CYS 249           H        CYS 249  -6.322  10.139  10.139
   14    HA   CYS 249           HA       CYS 249  -4.927  11.357  11.357
   15   1HB   CYS 249          2HB       CYS 249  -5.941   9.961   9.961
   16   2HB   CYS 249          1HB       CYS 249  -7.183  10.945  10.945
   17    H    SER 250           H        SER 250  -3.308   9.912   9.912
   18    HA   SER 250           HA       SER 250  -3.041   7.277   7.277
   19   1HB   SER 250          2HB       SER 250  -0.451   8.499   8.499
   20   2HB   SER 250          1HB       SER 250  -1.318   7.926   7.926
   21    HG   SER 250           HG       SER 250  -1.434   9.973   9.973
   22    H    VAL 251           H        VAL 251  -0.993   6.158   6.158
   23    HA   VAL 251           HA       VAL 251  -0.876   6.812   6.812
   24    HB   VAL 251           HB       VAL 251  -0.732   3.961   3.961
   25   1HG1  VAL 251          2HG1      VAL 251  -0.827   5.374   5.374
   26   2HG1  VAL 251          1HG1      VAL 251  -2.461   4.734   4.734
   27   3HG1  VAL 251          3HG1      VAL 251  -1.079   3.638   3.638
   28   1HG2  VAL 251          2HG2      VAL 251  -2.687   4.969   4.969
   29   2HG2  VAL 251          1HG2      VAL 251  -3.131   3.707   3.707
   30   3HG2  VAL 251          3HG2      VAL 251  -3.377   5.406   5.406
   31    H    THR 252           H        THR 252   1.219   7.481   7.481
   32    HA   THR 252           HA       THR 252   3.359   6.064   6.064
   33    HB   THR 252           HB       THR 252   4.789   7.909   7.909
   34    HG1  THR 252           HG1      THR 252   4.432   8.819   8.819
   35   1HG2  THR 252          3HG2      THR 252   2.674   8.174   8.174
   36   2HG2  THR 252          2HG2      THR 252   2.272   9.422   9.422
   37   3HG2  THR 252          1HG2      THR 252   3.804   9.492   9.492
   38    H    ALA 253           H        ALA 253   4.139   4.290   4.290
   39    HA   ALA 253           HA       ALA 253   4.126   4.236   4.236
   40   1HB   ALA 253          1HB       ALA 253   4.540   2.135   2.135
   41   2HB   ALA 253          3HB       ALA 253   4.905   1.820   1.820
   42   3HB   ALA 253          2HB       ALA 253   3.260   2.226   2.226
   43    H    THR 254           H        THR 254   6.019   4.175   4.175
   44    HA   THR 254           HA       THR 254   8.589   4.239   4.239
   45    HB   THR 254           HB       THR 254   7.718   6.054   6.054
   46    HG1  THR 254           HG1      THR 254   8.858   6.860   6.860
   47   1HG2  THR 254          3HG2      THR 254  10.420   5.318   5.318
   48   2HG2  THR 254          2HG2      THR 254  10.133   6.993   6.993
   49   3HG2  THR 254          1HG2      THR 254   9.923   5.697   5.697
   50    H    ARG 255           H        ARG 255  10.382   3.319   3.319
   51    HA   ARG 255           HA       ARG 255   9.598   1.343   1.343
   52   1HB   ARG 255          2HB       ARG 255  12.010   1.858   1.858
   53   2HB   ARG 255          1HB       ARG 255  12.232   0.954   0.954
   54   1HG   ARG 255          2HG       ARG 255   9.894   0.091   0.091
   55   2HG   ARG 255          1HG       ARG 255  11.431  -0.148  -0.148
   56   1HD   ARG 255          2HD       ARG 255  11.007  -1.006  -1.006
   57   2HD   ARG 255          1HD       ARG 255  10.649  -2.069  -2.069
   58    HE   ARG 255           HE       ARG 255  13.227  -1.708  -1.708
   59   1HH1  ARG 255          1HH1      ARG 255  12.070  -3.276  -3.276
   60   2HH1  ARG 255          2HH1      ARG 255  13.244  -2.795  -2.795
   61   1HH2  ARG 255          1HH2      ARG 255  14.552  -0.247  -0.247
   62   2HH2  ARG 255          2HH2      ARG 255  14.650  -1.081  -1.081
   63    H    ALA 256           H        ALA 256   9.723   1.767   1.767
   64    HA   ALA 256           HA       ALA 256  11.390   4.078   4.078
   65   1HB   ALA 256          1HB       ALA 256   8.816   3.709   3.709
   66   2HB   ALA 256          3HB       ALA 256   9.464   2.682   2.682
   67   3HB   ALA 256          2HB       ALA 256   9.902   4.389   4.389
   68    H    GLU 257           H        GLU 257  11.291   3.035   3.035
   69    HA   GLU 257           HA       GLU 257  13.801   1.846   1.846
   70   1HB   GLU 257          2HB       GLU 257  11.341   1.698   1.698
   71   2HB   GLU 257          1HB       GLU 257  12.775   0.764   0.764
   72   1HG   GLU 257          2HG       GLU 257  13.648   2.618   2.618
   73   2HG   GLU 257          1HG       GLU 257  13.696   3.349   3.349
   74    H    GLU 258           H        GLU 258  14.609  -0.172  -0.172
   75    HA   GLU 258           HA       GLU 258  12.652  -2.263  -2.263
   76   1HB   GLU 258          2HB       GLU 258  14.829  -1.273  -1.273
   77   2HB   GLU 258          1HB       GLU 258  15.502  -2.714  -2.714
   78   1HG   GLU 258          2HG       GLU 258  13.467  -3.976  -3.976
   79   2HG   GLU 258          1HG       GLU 258  13.111  -2.548  -2.548
   80    H    TRP 259           H        TRP 259  13.119  -4.488  -4.488
   81    HA   TRP 259           HA       TRP 259  14.917  -4.709  -4.709
   82   1HB   TRP 259          2HB       TRP 259  11.977  -5.261  -5.261
   83   2HB   TRP 259          1HB       TRP 259  12.974  -6.301  -6.301
   84    HD1  TRP 259           HD1      TRP 259  14.171  -5.209  -5.209
   85    HE1  TRP 259           HE1      TRP 259  13.740  -3.018  -3.018
   86    HE3  TRP 259           HE3      TRP 259  11.202  -2.777  -2.777
   87    HZ2  TRP 259           HZ2      TRP 259  12.322  -0.558  -0.558
   88    HZ3  TRP 259           HZ3      TRP 259  10.325  -0.514  -0.514
   89    HH2  TRP 259           HH2      TRP 259  10.882   0.598   0.598
   90    H    SER 260           H        SER 260  14.549  -7.343  -7.343
   91    HA   SER 260           HA       SER 260  15.436  -8.685  -8.685
   92   1HB   SER 260          2HB       SER 260  15.798  -9.505  -9.505
   93   2HB   SER 260          1HB       SER 260  16.438 -10.371 -10.371
   94    HG   SER 260           HG       SER 260  17.794  -8.703  -8.703
   95    H    ASP 261           H        ASP 261  12.763  -8.441  -8.441
   96    HA   ASP 261           HA       ASP 261  11.666 -10.976 -10.976
   97   1HB   ASP 261          2HB       ASP 261  10.537 -11.441 -11.441
   98   2HB   ASP 261          1HB       ASP 261  12.278 -11.326 -11.326
   99    H    ARG 262           H        ARG 262  11.440  -7.889  -7.889
  100    HA   ARG 262           HA       ARG 262   8.766  -7.829  -7.829
  101   1HB   ARG 262          2HB       ARG 262   7.724  -6.370  -6.370
  102   2HB   ARG 262          1HB       ARG 262   8.105  -7.980  -7.980
  103   1HG   ARG 262          2HG       ARG 262   9.778  -7.216  -7.216
  104   2HG   ARG 262          1HG       ARG 262  10.232  -5.917  -5.917
  105   1HD   ARG 262          2HD       ARG 262   9.150  -4.544  -4.544
  106   2HD   ARG 262          1HD       ARG 262   7.670  -5.198  -5.198
  107    HE   ARG 262           HE       ARG 262   8.251  -7.032  -7.032
  108   1HH1  ARG 262          1HH2      ARG 262   6.676  -4.134  -4.134
  109   2HH1  ARG 262          2HH2      ARG 262   6.791  -3.730  -3.730
  110   1HH2  ARG 262          1HH1      ARG 262   9.013  -6.290  -6.290
  111   2HH2  ARG 262          2HH1      ARG 262   8.114  -4.950  -4.950
  112    H    PHE 263           H        PHE 263   8.081  -5.525  -5.525
  113    HA   PHE 263           HA       PHE 263  10.282  -3.549  -3.549
  114   1HB   PHE 263          2HB       PHE 263  10.226  -3.204  -3.204
  115   2HB   PHE 263          1HB       PHE 263  10.679  -4.868  -4.868
  116    HD1  PHE 263           HD1      PHE 263   9.110  -6.718  -6.718
  117    HD2  PHE 263           HD2      PHE 263   8.054  -2.670  -2.670
  118    HE1  PHE 263           HE1      PHE 263   7.182  -7.540  -7.540
  119    HE2  PHE 263           HE2      PHE 263   6.127  -3.490  -3.490
  120    HZ   PHE 263           HZ       PHE 263   5.690  -5.925  -5.925
  121    H    ASN 264           H        ASN 264   9.470  -1.479  -1.479
  122    HA   ASN 264           HA       ASN 264   6.537  -1.199  -1.199
  123   1HB   ASN 264          2HB       ASN 264   8.741   0.820   0.820
  124   2HB   ASN 264          1HB       ASN 264   7.024   1.073   1.073
  125   1HD2  ASN 264          1HD2      ASN 264   8.533   1.317   1.317
  126   2HD2  ASN 264          2HD2      ASN 264   8.439  -0.065  -0.065
  127    H    VAL 265           H        VAL 265   5.415   0.436   0.436
  128    HA   VAL 265           HA       VAL 265   6.891   1.410   1.410
  129    HB   VAL 265           HB       VAL 265   4.102   0.352   0.352
  130   1HG1  VAL 265          1HG1      VAL 265   5.339   1.657   1.657
  131   2HG1  VAL 265          3HG1      VAL 265   6.504   0.335   0.335
  132   3HG1  VAL 265          2HG1      VAL 265   4.820   0.051   0.051
  133   1HG2  VAL 265          2HG2      VAL 265   5.475  -1.424  -1.424
  134   2HG2  VAL 265          1HG2      VAL 265   4.937  -1.876  -1.876
  135   3HG2  VAL 265          3HG2      VAL 265   6.602  -1.355  -1.355
  136    H    THR 266           H        THR 266   6.284   3.473   3.473
  137    HA   THR 266           HA       THR 266   4.129   4.733   4.733
  138    HB   THR 266           HB       THR 266   6.287   6.133   6.133
  139    HG1  THR 266           HG1      THR 266   6.260   5.594   5.594
  140   1HG2  THR 266          2HG2      THR 266   3.977   7.107   7.107
  141   2HG2  THR 266          1HG2      THR 266   5.135   7.348   7.348
  142   3HG2  THR 266          3HG2      THR 266   5.434   8.061   8.061
  143    H    TYR 267           H        TYR 267   2.349   4.147   4.147
  144    HA   TYR 267           HA       TYR 267   2.400   4.727   4.727
  145   1HB   TYR 267          2HB       TYR 267   0.366   3.669   3.669
  146   2HB   TYR 267          1HB       TYR 267  -0.163   4.250   4.250
  147    HD1  TYR 267           HD1      TYR 267   1.986   1.784   1.784
  148    HD2  TYR 267           HD2      TYR 267   0.352   3.050   3.050
  149    HE1  TYR 267           HE1      TYR 267   2.726  -0.344  -0.344
  150    HE2  TYR 267           HE2      TYR 267   1.091   0.922   0.922
  151    HH   TYR 267           HH       TYR 267   1.583  -1.545  -1.545
  152    H    SER 268           H        SER 268   1.615   6.566   6.566
  153    HA   SER 268           HA       SER 268   0.205   8.552   8.552
  154   1HB   SER 268          2HB       SER 268   2.323   9.539   9.539
  155   2HB   SER 268          1HB       SER 268   2.637   8.920   8.920
  156    HG   SER 268           HG       SER 268   0.799  10.955  10.955
  157    H    VAL 269           H        VAL 269  -1.104  10.099  10.099
  158    HA   VAL 269           HA       VAL 269  -1.604   9.412   9.412
  159    HB   VAL 269           HB       VAL 269  -3.733   9.128   9.128
  160   1HG1  VAL 269          2HG1      VAL 269  -3.855   9.606   9.606
  161   2HG1  VAL 269          1HG1      VAL 269  -4.790   8.208   8.208
  162   3HG1  VAL 269          3HG1      VAL 269  -5.110   9.798   9.798
  163   1HG2  VAL 269          1HG2      VAL 269  -2.166   7.208   7.208
  164   2HG2  VAL 269          3HG2      VAL 269  -3.803   6.792   6.792
  165   3HG2  VAL 269          2HG2      VAL 269  -2.563   7.115   7.115
  166    H    SER 270           H        SER 270  -1.119  11.543  11.543
  167    HA   SER 270           HA       SER 270  -2.361  13.783  13.783
  168   1HB   SER 270          2HB       SER 270  -1.166  14.436  14.436
  169   2HB   SER 270          1HB       SER 270  -0.732  15.008  15.008
  170    HG   SER 270           HG       SER 270   0.561  13.280  13.280
  171    H    GLY 271           H        GLY 271  -3.072  15.527  15.527
  172   1HA   GLY 271          2HA       GLY 271  -4.618  15.889  15.889
  173   2HA   GLY 271          1HA       GLY 271  -4.952  14.157  14.157
  174    H    SER 272           H        SER 272  -5.555  13.776  13.776
  175    HA   SER 272           HA       SER 272  -7.496  15.661  15.661
  176   1HB   SER 272          2HB       SER 272  -9.532  14.280  14.280
  177   2HB   SER 272          1HB       SER 272  -8.813  14.933  14.933
  178    HG   SER 272           HG       SER 272  -8.190  12.369  12.369
  179    H    SER 273           H        SER 273  -8.858  14.561  14.561
  180    HA   SER 273           HA       SER 273  -7.118  12.524  12.524
  181   1HB   SER 273          2HB       SER 273  -9.240  13.914  13.914
  182   2HB   SER 273          1HB       SER 273  -7.592  13.504  13.504
  183    HG   SER 273           HG       SER 273  -7.400  15.608  15.608
  184    H    ALA 274           H        ALA 274 -10.440  13.254  13.254
  185    HA   ALA 274           HA       ALA 274 -11.500  10.809  10.809
  186   1HB   ALA 274          3HB       ALA 274 -12.752  13.053  13.053
  187   2HB   ALA 274          2HB       ALA 274 -12.905  12.352  12.352
  188   3HB   ALA 274          1HB       ALA 274 -13.595  11.518  11.518
  189    H    TRP 275           H        TRP 275  -9.871   9.395   9.395
  190    HA   TRP 275           HA       TRP 275 -10.734   8.716   8.716
  191   1HB   TRP 275          2HB       TRP 275  -8.308   7.942   7.942
  192   2HB   TRP 275          1HB       TRP 275  -8.565   9.687   9.687
  193    HD1  TRP 275           HD1      TRP 275  -7.279  10.987  10.987
  194    HE1  TRP 275           HE1      TRP 275  -5.860  10.346  10.346
  195    HE3  TRP 275           HE3      TRP 275  -8.127   5.950   5.950
  196    HZ2  TRP 275           HZ2      TRP 275  -5.174   8.011   8.011
  197    HZ3  TRP 275           HZ3      TRP 275  -7.079   4.544   4.544
  198    HH2  TRP 275           HH2      TRP 275  -5.606   5.567   5.567
  199    H    THR 276           H        THR 276 -10.620   6.443   6.443
  200    HA   THR 276           HA       THR 276 -10.571   4.689   4.689
  201    HB   THR 276           HB       THR 276 -12.099   4.351   4.351
  202    HG1  THR 276           HG1      THR 276 -13.139   5.813   5.813
  203   1HG2  THR 276          2HG2      THR 276 -11.250   2.441   2.441
  204   2HG2  THR 276          1HG2      THR 276 -13.002   2.619   2.619
  205   3HG2  THR 276          3HG2      THR 276 -12.250   2.175   2.175
  206    H    VAL 277           H        VAL 277  -8.387   4.077   4.077
  207    HA   VAL 277           HA       VAL 277  -7.492   2.811   2.811
  208    HB   VAL 277           HB       VAL 277  -5.847   3.741   3.741
  209   1HG1  VAL 277          3HG1      VAL 277  -5.084   1.836   1.836
  210   2HG1  VAL 277          2HG1      VAL 277  -4.762   3.212   3.212
  211   3HG1  VAL 277          1HG1      VAL 277  -3.956   3.093   3.093
  212   1HG2  VAL 277          3HG2      VAL 277  -7.059   5.190   5.190
  213   2HG2  VAL 277          2HG2      VAL 277  -6.004   5.804   5.804
  214   3HG2  VAL 277          1HG2      VAL 277  -5.311   5.195   5.195
  215    H    ASN 278           H        ASN 278  -6.558   0.707   0.707
  216    HA   ASN 278           HA       ASN 278  -6.987  -0.765  -0.765
  217   1HB   ASN 278          2HB       ASN 278  -7.707  -1.587  -1.587
  218   2HB   ASN 278          1HB       ASN 278  -7.560  -2.754  -2.754
  219   1HD2  ASN 278          1HD2      ASN 278  -9.823  -3.255  -3.255
  220   2HD2  ASN 278          2HD2      ASN 278 -10.976  -2.111  -2.111
  221    H    LEU 279           H        LEU 279  -5.244  -1.969  -1.969
  222    HA   LEU 279           HA       LEU 279  -2.824  -1.879  -1.879
  223   1HB   LEU 279          2HB       LEU 279  -3.471  -2.614  -2.614
  224   2HB   LEU 279          1HB       LEU 279  -2.019  -3.311  -3.311
  225    HG   LEU 279           HG       LEU 279  -2.559  -0.363  -0.363
  226   1HD1  LEU 279          3HD1      LEU 279  -2.100  -1.808  -1.808
  227   2HD1  LEU 279          2HD1      LEU 279  -0.737  -0.744  -0.744
  228   3HD1  LEU 279          1HD1      LEU 279  -2.367  -0.081  -0.081
  229   1HD2  LEU 279          1HD2      LEU 279  -0.557  -2.137  -2.137
  230   2HD2  LEU 279          3HD2      LEU 279  -0.489  -0.375  -0.375
  231   3HD2  LEU 279          2HD2      LEU 279   0.165  -1.255  -1.255
  232    H    ALA 280           H        ALA 280  -1.635  -3.837  -3.837
  233    HA   ALA 280           HA       ALA 280  -3.265  -6.332  -6.332
  234   1HB   ALA 280          2HB       ALA 280  -2.378  -4.761  -4.761
  235   2HB   ALA 280          1HB       ALA 280  -2.056  -6.493  -6.493
  236   3HB   ALA 280          3HB       ALA 280  -3.705  -5.914  -5.914
  237    H    LEU 281           H        LEU 281  -1.739  -7.002  -7.002
  238    HA   LEU 281           HA       LEU 281   1.090  -7.023  -7.023
  239   1HB   LEU 281          2HB       LEU 281  -0.834  -8.691  -8.691
  240   2HB   LEU 281          1HB       LEU 281   0.889  -9.071  -9.071
  241    HG   LEU 281           HG       LEU 281  -0.060  -6.262  -6.262
  242   1HD1  LEU 281          2HD1      LEU 281  -0.409  -8.619  -8.619
  243   2HD1  LEU 281          1HD1      LEU 281   0.566  -7.373  -7.373
  244   3HD1  LEU 281          3HD1      LEU 281  -1.055  -6.991  -6.991
  245   1HD2  LEU 281          1HD2      LEU 281   2.448  -7.670  -7.670
  246   2HD2  LEU 281          3HD2      LEU 281   2.168  -5.949  -5.949
  247   3HD2  LEU 281          2HD2      LEU 281   2.213  -7.054  -7.054
  248    H    ASN 282           H        ASN 282   2.333  -9.210  -9.210
  249    HA   ASN 282           HA       ASN 282   1.501 -10.406 -10.406
  250   1HB   ASN 282          2HB       ASN 282   3.992 -10.594 -10.594
  251   2HB   ASN 282          1HB       ASN 282   3.736 -11.659 -11.659
  252   1HD2  ASN 282          1HD2      ASN 282   3.948  -8.191  -8.191
  253   2HD2  ASN 282          2HD2      ASN 282   4.419  -7.662  -7.662
  254    H    GLY 283           H        GLY 283  -0.398 -11.206 -11.206
  255   1HA   GLY 283          2HA       GLY 283  -1.384 -12.986 -12.986
  256   2HA   GLY 283          1HA       GLY 283  -0.620 -13.925 -13.925
  257    H    SER 284           H        SER 284   0.922 -12.121 -12.121
  258    HA   SER 284           HA       SER 284   1.604 -14.603 -14.603
  259   1HB   SER 284          2HB       SER 284   3.729 -12.999 -12.999
  260   2HB   SER 284          1HB       SER 284   4.076 -14.218 -14.218
  261    HG   SER 284           HG       SER 284   4.147 -15.171 -15.171
  262    H    GLN 285           H        GLN 285   3.632 -11.720 -11.720
  263    HA   GLN 285           HA       GLN 285   3.801 -11.270 -11.270
  264   1HB   GLN 285          2HB       GLN 285   3.532  -9.120  -9.120
  265   2HB   GLN 285          1HB       GLN 285   4.224  -8.896  -8.896
  266   1HG   GLN 285          2HG       GLN 285   6.213  -9.472  -9.472
  267   2HG   GLN 285          1HG       GLN 285   5.578 -11.113 -11.113
  268   1HE2  GLN 285          1HE2      GLN 285   5.709  -8.000  -8.000
  269   2HE2  GLN 285          2HE2      GLN 285   5.639  -8.716  -8.716
  270    H    THR 286           H        THR 286   2.510 -10.331 -10.331
  271    HA   THR 286           HA       THR 286  -0.264  -9.600  -9.600
  272    HB   THR 286           HB       THR 286  -1.100 -10.532 -10.532
  273    HG1  THR 286           HG1      THR 286   0.050 -10.645 -10.645
  274   1HG2  THR 286          2HG2      THR 286   0.011 -12.143 -12.143
  275   2HG2  THR 286          1HG2      THR 286   1.203 -12.405 -12.405
  276   3HG2  THR 286          3HG2      THR 286  -0.494 -12.782 -12.782
  277    H    ILE 287           H        ILE 287  -1.277  -8.208  -8.208
  278    HA   ILE 287           HA       ILE 287   0.620  -5.939  -5.939
  279    HB   ILE 287           HB       ILE 287  -2.404  -6.107  -6.107
  280   1HG1  ILE 287          2HG1      ILE 287  -1.162  -6.038  -6.038
  281   2HG1  ILE 287          1HG1      ILE 287  -2.302  -4.718  -4.718
  282   1HG2  ILE 287          3HG2      ILE 287  -0.498  -3.999  -3.999
  283   2HG2  ILE 287          2HG2      ILE 287  -1.995  -3.490  -3.490
  284   3HG2  ILE 287          1HG2      ILE 287  -2.053  -4.485  -4.485
  285   1HD1  ILE 287          2HD1      ILE 287   0.446  -4.229  -4.229
  286   2HD1  ILE 287          1HD1      ILE 287   0.283  -4.341  -4.341
  287   3HD1  ILE 287          3HD1      ILE 287  -0.653  -3.146  -3.146
  288    H    GLN 288           H        GLN 288   0.870  -4.993  -4.993
  289    HA   GLN 288           HA       GLN 288  -0.137  -6.691  -6.691
  290   1HB   GLN 288          2HB       GLN 288   2.568  -5.953  -5.953
  291   2HB   GLN 288          1HB       GLN 288   2.177  -5.343  -5.343
  292   1HG   GLN 288          2HG       GLN 288   1.257  -8.099  -8.099
  293   2HG   GLN 288          1HG       GLN 288   3.009  -7.898  -7.898
  294   1HE2  GLN 288          1HE2      GLN 288   3.706  -6.332  -6.332
  295   2HE2  GLN 288          2HE2      GLN 288   2.982  -6.719  -6.719
  296    H    ALA 289           H        ALA 289   0.640  -3.444  -3.444
  297    HA   ALA 289           HA       ALA 289  -1.268  -2.344  -2.344
  298   1HB   ALA 289          3HB       ALA 289   1.604  -2.172  -2.172
  299   2HB   ALA 289          2HB       ALA 289   0.912  -0.563  -0.563
  300   3HB   ALA 289          1HB       ALA 289   0.324  -1.612  -1.612
  301    H    SER 290           H        SER 290  -1.554   0.087   0.087
  302    HA   SER 290           HA       SER 290  -0.697   1.026   1.026
  303   1HB   SER 290          2HB       SER 290  -3.298   1.348   1.348
  304   2HB   SER 290          1HB       SER 290  -2.439  -0.114  -0.114
  305    HG   SER 290           HG       SER 290  -3.434  -1.205  -1.205
  306    H    TRP 291           H        TRP 291  -0.848   3.267   3.267
  307    HA   TRP 291           HA       TRP 291  -2.431   4.638   4.638
  308   1HB   TRP 291          2HB       TRP 291  -0.472   6.234   6.234
  309   2HB   TRP 291          1HB       TRP 291  -0.198   4.611   4.611
  310    HD1  TRP 291           HD1      TRP 291   0.731   6.886   6.886
  311    HE1  TRP 291           HE1      TRP 291   2.813   5.919   5.919
  312    HE3  TRP 291           HE3      TRP 291   1.163   2.448   2.448
  313    HZ2  TRP 291           HZ2      TRP 291   4.446   3.573   3.573
  314    HZ3  TRP 291           HZ3      TRP 291   2.989   0.868   0.868
  315    HH2  TRP 291           HH2      TRP 291   4.630   1.424   1.424
  316    H    ASN 292           H        ASN 292  -3.169   6.726   6.726
  317    HA   ASN 292           HA       ASN 292  -3.693   8.483   8.483
  318   1HB   ASN 292          2HB       ASN 292  -1.100   7.632   7.632
  319   2HB   ASN 292          1HB       ASN 292  -2.074   7.837   7.837
  320   1HD2  ASN 292          1HD2      ASN 292  -2.322   9.962   9.962
  321   2HD2  ASN 292          2HD2      ASN 292  -1.990  11.347  11.347
  322    H    ALA 293           H        ALA 293  -4.338   5.343   5.343
  323    HA   ALA 293           HA       ALA 293  -6.513   5.666   5.666
  324   1HB   ALA 293          2HB       ALA 293  -4.054   4.446   4.446
  325   2HB   ALA 293          1HB       ALA 293  -5.668   4.480   4.480
  326   3HB   ALA 293          3HB       ALA 293  -4.792   5.987   5.987
  327    H    ASN 294           H        ASN 294  -7.720   3.706   3.706
  328    HA   ASN 294           HA       ASN 294  -6.678   1.512   1.512
  329   1HB   ASN 294          2HB       ASN 294  -9.554   1.793   1.793
  330   2HB   ASN 294          1HB       ASN 294  -8.896   1.019   1.019
  331   1HD2  ASN 294          1HD2      ASN 294 -10.950   3.131   3.131
  332   2HD2  ASN 294          2HD2      ASN 294 -10.289   4.454   4.454
  333    H    VAL 295           H        VAL 295  -6.441  -0.530  -0.530
  334    HA   VAL 295           HA       VAL 295  -7.239  -0.874  -0.874
  335    HB   VAL 295           HB       VAL 295  -5.016  -2.330  -2.330
  336   1HG1  VAL 295          3HG1      VAL 295  -6.322  -2.812  -2.812
  337   2HG1  VAL 295          2HG1      VAL 295  -4.817  -2.014  -2.014
  338   3HG1  VAL 295          1HG1      VAL 295  -4.776  -3.489  -3.489
  339   1HG2  VAL 295          1HG2      VAL 295  -5.023   0.235   0.235
  340   2HG2  VAL 295          3HG2      VAL 295  -4.287  -0.076  -0.076
  341   3HG2  VAL 295          2HG2      VAL 295  -3.576  -0.768  -0.768
  342    H    THR 296           H        THR 296  -8.504  -2.638  -2.638
  343    HA   THR 296           HA       THR 296  -9.242  -4.417  -4.417
  344    HB   THR 296           HB       THR 296 -11.355  -4.786  -4.786
  345    HG1  THR 296           HG1      THR 296 -10.101  -3.312  -3.312
  346   1HG2  THR 296          1HG2      THR 296 -11.140  -2.721  -2.721
  347   2HG2  THR 296          3HG2      THR 296 -10.608  -1.849  -1.849
  348   3HG2  THR 296          2HG2      THR 296 -12.247  -2.497  -2.497
  349    H    GLY 297           H        GLY 297  -9.677  -6.711  -6.711
  350   1HA   GLY 297          2HA       GLY 297  -7.636  -7.658  -7.658
  351   2HA   GLY 297          1HA       GLY 297  -8.494  -8.659  -8.659
  352    H    SER 298           H        SER 298  -8.147  -8.917  -8.917
  353    HA   SER 298           HA       SER 298 -10.978  -9.549  -9.549
  354   1HB   SER 298          2HB       SER 298  -9.363  -7.814  -7.814
  355   2HB   SER 298          1HB       SER 298 -11.027  -8.343  -8.343
  356    HG   SER 298           HG       SER 298 -11.319  -6.429  -6.429
  357    H    GLY 299           H        GLY 299 -10.839 -10.350 -10.350
  358   1HA   GLY 299          2HA       GLY 299  -9.282 -12.770 -12.770
  359   2HA   GLY 299          1HA       GLY 299 -10.155 -12.203 -12.203
  360    H    SER 300           H        SER 300  -7.072 -12.598 -12.598
  361    HA   SER 300           HA       SER 300  -4.928 -11.857 -11.857
  362   1HB   SER 300          2HB       SER 300  -6.451 -12.708 -12.708
  363   2HB   SER 300          1HB       SER 300  -5.075 -11.671 -11.671
  364    HG   SER 300           HG       SER 300  -3.964 -13.435 -13.435
  365    H    THR 301           H        THR 301  -6.977  -9.739  -9.739
  366    HA   THR 301           HA       THR 301  -5.484  -7.531  -7.531
  367    HB   THR 301           HB       THR 301  -7.825  -6.477  -6.477
  368    HG1  THR 301           HG1      THR 301  -9.298  -8.106  -8.106
  369   1HG2  THR 301          1HG2      THR 301  -5.899  -7.358  -7.358
  370   2HG2  THR 301          3HG2      THR 301  -6.997  -8.705  -8.705
  371   3HG2  THR 301          2HG2      THR 301  -7.491  -7.060  -7.060
  372    H    ARG 302           H        ARG 302  -6.305  -5.381  -5.381
  373    HA   ARG 302           HA       ARG 302  -7.668  -5.689  -5.689
  374   1HB   ARG 302          2HB       ARG 302  -4.797  -4.957  -4.957
  375   2HB   ARG 302          1HB       ARG 302  -5.700  -4.098  -4.098
  376   1HG   ARG 302          2HG       ARG 302  -5.560  -5.875  -5.875
  377   2HG   ARG 302          1HG       ARG 302  -6.320  -6.902  -6.902
  378   1HD   ARG 302          2HD       ARG 302  -4.330  -7.967  -7.967
  379   2HD   ARG 302          1HD       ARG 302  -3.742  -6.523  -6.523
  380    HE   ARG 302           HE       ARG 302  -2.487  -6.027  -6.027
  381   1HH1  ARG 302          1HH1      ARG 302  -2.651  -8.941  -8.941
  382   2HH1  ARG 302          2HH1      ARG 302  -3.254  -8.852  -8.852
  383   1HH2  ARG 302          1HH2      ARG 302  -4.320  -5.564  -5.564
  384   2HH2  ARG 302          2HH2      ARG 302  -4.198  -6.941  -6.941
  385    H    THR 303           H        THR 303  -8.794  -3.827  -3.827
  386    HA   THR 303           HA       THR 303  -8.888  -1.703  -1.703
  387    HB   THR 303           HB       THR 303 -10.624  -1.750  -1.750
  388    HG1  THR 303           HG1      THR 303 -10.649  -3.508  -3.508
  389   1HG2  THR 303          2HG2      THR 303 -10.754  -0.739  -0.739
  390   2HG2  THR 303          1HG2      THR 303 -12.255  -1.090  -1.090
  391   3HG2  THR 303          3HG2      THR 303 -11.128   0.102   0.102
  392    H    VAL 304           H        VAL 304  -9.120   0.606   0.606
  393    HA   VAL 304           HA       VAL 304  -7.745   1.111   1.111
  394    HB   VAL 304           HB       VAL 304  -6.521   1.996   1.996
  395   1HG1  VAL 304          3HG1      VAL 304  -6.401   3.117   3.117
  396   2HG1  VAL 304          2HG1      VAL 304  -4.839   2.370   2.370
  397   3HG1  VAL 304          1HG1      VAL 304  -5.484   3.595   3.595
  398   1HG2  VAL 304          1HG2      VAL 304  -5.755  -0.072  -0.072
  399   2HG2  VAL 304          3HG2      VAL 304  -5.945  -0.291  -0.291
  400   3HG2  VAL 304          2HG2      VAL 304  -4.570   0.618   0.618
  401    H    THR 305           H        THR 305  -8.835   2.796   2.796
  402    HA   THR 305           HA       THR 305  -9.850   4.920   4.920
  403    HB   THR 305           HB       THR 305 -11.910   5.057   5.057
  404    HG1  THR 305           HG1      THR 305 -11.057   4.449   4.449
  405   1HG2  THR 305          2HG2      THR 305 -11.054   2.445   2.445
  406   2HG2  THR 305          1HG2      THR 305 -12.580   2.483   2.483
  407   3HG2  THR 305          3HG2      THR 305 -12.344   3.533   3.533
  408    HA   PRO 306           HA       PRO 306  -7.975   7.674   7.674
  409   1HB   PRO 306          2HB       PRO 306  -9.492   9.912   9.912
  410   2HB   PRO 306          1HB       PRO 306  -8.244   9.308   9.308
  411   1HG   PRO 306          2HG       PRO 306 -11.212   9.142   9.142
  412   2HG   PRO 306          1HG       PRO 306  -9.977   9.147   9.147
  413   1HD   PRO 306          2HD       PRO 306 -11.349   6.868   6.868
  414   2HD   PRO 306          1HD       PRO 306  -9.895   6.857   6.857
  415    H    ASN 307           H        ASN 307  -8.293   8.475   8.475
  416    HA   ASN 307           HA       ASN 307 -11.028   8.039   8.039
  417   1HB   ASN 307          2HB       ASN 307  -9.990   7.511   7.511
  418   2HB   ASN 307          1HB       ASN 307  -9.135   6.588   6.588
  419   1HD2  ASN 307          1HD2      ASN 307  -8.468   8.275   8.275
  420   2HD2  ASN 307          2HD2      ASN 307  -6.962   8.941   8.941
  421    H    GLY 308           H        GLY 308  -8.734  10.399  10.399
  422   1HA   GLY 308          2HA       GLY 308  -9.613  12.749  12.749
  423   2HA   GLY 308          1HA       GLY 308 -10.017  12.319  12.319
  424    H    SER 309           H        SER 309  -7.053  11.229  11.229
  425    HA   SER 309           HA       SER 309  -5.550  13.040  13.040
  426   1HB   SER 309          2HB       SER 309  -5.448  10.207  10.207
  427   2HB   SER 309          1HB       SER 309  -3.922  10.871  10.871
  428    HG   SER 309           HG       SER 309  -4.975  10.761  10.761
  429    H    GLY 310           H        GLY 310  -5.816  11.781  11.781
  430   1HA   GLY 310          2HA       GLY 310  -4.927  13.870  13.870
  431   2HA   GLY 310          1HA       GLY 310  -3.395  13.220  13.220
  432    H    ASN 311           H        ASN 311  -2.851  12.710  12.710
  433    HA   ASN 311           HA       ASN 311  -4.324  10.315  10.315
  434   1HB   ASN 311          2HB       ASN 311  -2.588  12.025  12.025
  435   2HB   ASN 311          1HB       ASN 311  -3.983  11.037  11.037
  436   1HD2  ASN 311          1HD2      ASN 311  -3.688  13.870  13.870
  437   2HD2  ASN 311          2HD2      ASN 311  -4.939  14.704  14.704
  438    H    THR 312           H        THR 312  -1.688  11.009  11.009
  439    HA   THR 312           HA       THR 312   0.087   9.139   9.139
  440    HB   THR 312           HB       THR 312   0.898  10.937  10.937
  441    HG1  THR 312           HG1      THR 312   0.815  12.524  12.524
  442   1HG2  THR 312          1HG2      THR 312   2.190   8.923   8.923
  443   2HG2  THR 312          3HG2      THR 312   2.947  10.485  10.485
  444   3HG2  THR 312          2HG2      THR 312   2.855   9.864   9.864
  445    H    PHE 313           H        PHE 313  -0.688   7.150   7.150
  446    HA   PHE 313           HA       PHE 313  -0.540   6.747   6.747
  447   1HB   PHE 313          2HB       PHE 313  -2.227   5.027   5.027
  448   2HB   PHE 313          1HB       PHE 313  -2.824   6.470   6.470
  449    HD1  PHE 313           HD1      PHE 313  -1.493   3.067   3.067
  450    HD2  PHE 313           HD2      PHE 313  -2.949   6.583   6.583
  451    HE1  PHE 313           HE1      PHE 313  -1.703   1.784   1.784
  452    HE2  PHE 313           HE2      PHE 313  -3.159   5.300   5.300
  453    HZ   PHE 313           HZ       PHE 313  -2.537   2.901   2.901
  454    H    GLY 314           H        GLY 314   0.621   4.938   4.938
  455   1HA   GLY 314          2HA       GLY 314   2.248   3.567   3.567
  456   2HA   GLY 314          1HA       GLY 314   2.788   3.831   3.831
  457    H    VAL 315           H        VAL 315   2.894   1.268   1.268
  458    HA   VAL 315           HA       VAL 315   0.819  -0.066  -0.066
  459    HB   VAL 315           HB       VAL 315   0.683  -1.850  -1.850
  460   1HG1  VAL 315          3HG1      VAL 315  -0.503   0.881   0.881
  461   2HG1  VAL 315          2HG1      VAL 315  -0.757  -0.094  -0.094
  462   3HG1  VAL 315          1HG1      VAL 315  -1.296  -0.689  -0.689
  463   1HG2  VAL 315          3HG2      VAL 315   2.034   0.425   0.425
  464   2HG2  VAL 315          2HG2      VAL 315   2.542  -1.262  -1.262
  465   3HG2  VAL 315          1HG2      VAL 315   1.108  -0.820  -0.820
  466    H    THR 316           H        THR 316   1.586  -1.946  -1.946
  467    HA   THR 316           HA       THR 316   4.521  -2.327  -2.327
  468    HB   THR 316           HB       THR 316   2.609  -3.697  -3.697
  469    HG1  THR 316           HG1      THR 316   3.613  -1.087  -1.087
  470   1HG2  THR 316          2HG2      THR 316   5.115  -4.331  -4.331
  471   2HG2  THR 316          1HG2      THR 316   5.440  -2.835  -2.835
  472   3HG2  THR 316          3HG2      THR 316   4.513  -4.121  -4.121
  473    H    VAL 317           H        VAL 317   4.735  -3.524  -3.524
  474    HA   VAL 317           HA       VAL 317   3.146  -5.965  -5.965
  475    HB   VAL 317           HB       VAL 317   5.571  -5.049  -5.049
  476   1HG1  VAL 317          3HG1      VAL 317   3.382  -7.063  -7.063
  477   2HG1  VAL 317          2HG1      VAL 317   4.043  -6.268  -6.268
  478   3HG1  VAL 317          1HG1      VAL 317   5.101  -7.202  -7.202
  479   1HG2  VAL 317          3HG2      VAL 317   2.676  -4.210  -4.210
  480   2HG2  VAL 317          2HG2      VAL 317   4.117  -3.196  -3.196
  481   3HG2  VAL 317          1HG2      VAL 317   3.685  -4.163  -4.163
  482    H    MET 318           H        MET 318   4.092  -8.103  -8.103
  483    HA   MET 318           HA       MET 318   6.566  -8.319  -8.319
  484   1HB   MET 318          2HB       MET 318   4.032  -9.908  -9.908
  485   2HB   MET 318          1HB       MET 318   5.527 -10.750 -10.750
  486   1HG   MET 318          2HG       MET 318   5.919  -9.334  -9.334
  487   2HG   MET 318          1HG       MET 318   4.667  -8.200  -8.200
  488   1HE   MET 318          1HE       MET 318   5.727 -11.491 -11.491
  489   2HE   MET 318          3HE       MET 318   5.101 -11.274 -11.274
  490   3HE   MET 318          2HE       MET 318   4.341 -12.430 -12.430
  491    H    LYS 319           H        LYS 319   8.203  -9.724  -9.724
  492    HA   LYS 319           HA       LYS 319   8.406 -10.167 -10.167
  493   1HB   LYS 319          2HB       LYS 319   9.990 -11.357 -11.357
  494   2HB   LYS 319          1HB       LYS 319  10.441 -11.479 -11.479
  495   1HG   LYS 319          2HG       LYS 319  10.093  -8.894  -8.894
  496   2HG   LYS 319          1HG       LYS 319  11.636  -9.617  -9.617
  497   1HD   LYS 319          2HD       LYS 319  10.884  -9.490  -9.490
  498   2HD   LYS 319          1HD       LYS 319   9.492  -8.556  -8.556
  499   1HE   LYS 319          2HE       LYS 319  10.931  -6.811  -6.811
  500   2HE   LYS 319          1HE       LYS 319  11.417  -7.154  -7.154
  501   1HZ   LYS 319          1HZ       LYS 319  12.696  -8.379  -8.379
  502   2HZ   LYS 319          3HZ       LYS 319  13.287  -6.991  -6.991
  503   3HZ   LYS 319          2HZ       LYS 319  13.224  -8.468  -8.468
  504    H    ASN 320           H        ASN 320   8.609 -12.747 -12.747
  505    HA   ASN 320           HA       ASN 320   7.698 -14.910 -14.910
  506   1HB   ASN 320          2HB       ASN 320   5.685 -13.684 -13.684
  507   2HB   ASN 320          1HB       ASN 320   5.496 -15.206 -15.206
  508   1HD2  ASN 320          1HD2      ASN 320   3.494 -13.979 -13.979
  509   2HD2  ASN 320          2HD2      ASN 320   3.727 -13.002 -13.002
  510    H    GLY 321           H        GLY 321   9.646 -13.910 -13.910
  511   1HA   GLY 321          2HA       GLY 321  10.833 -15.394 -15.394
  512   2HA   GLY 321          1HA       GLY 321   9.319 -16.246 -16.246
  513    H    SER 322           H        SER 322   9.790 -12.733 -12.733
  514    HA   SER 322           HA       SER 322   9.796 -12.621 -12.621
  515   1HB   SER 322          2HB       SER 322   7.316 -12.875 -12.875
  516   2HB   SER 322          1HB       SER 322   7.499 -11.123 -11.123
  517    HG   SER 322           HG       SER 322   7.489 -11.143 -11.143
  518    H    SER 323           H        SER 323   8.752  -9.936  -9.936
  519    HA   SER 323           HA       SER 323   9.892  -8.175  -8.175
  520   1HB   SER 323          2HB       SER 323  11.712  -7.700  -7.700
  521   2HB   SER 323          1HB       SER 323  12.089  -8.183  -8.183
  522    HG   SER 323           HG       SER 323  12.732  -9.956  -9.956
  523    H    THR 324           H        THR 324   9.490  -8.604  -8.604
  524    HA   THR 324           HA       THR 324   9.144  -6.059  -6.059
  525    HB   THR 324           HB       THR 324   6.972  -7.970  -7.970
  526    HG1  THR 324           HG1      THR 324   8.417  -9.513  -9.513
  527   1HG2  THR 324          2HG2      THR 324   9.027  -6.369  -6.369
  528   2HG2  THR 324          1HG2      THR 324   7.719  -7.301  -7.301
  529   3HG2  THR 324          3HG2      THR 324   7.351  -5.898  -5.898
  530    H    THR 325           H        THR 325   7.905  -4.354  -4.354
  531    HA   THR 325           HA       THR 325   5.958  -4.512  -4.512
  532    HB   THR 325           HB       THR 325   5.335  -2.161  -2.161
  533    HG1  THR 325           HG1      THR 325   7.047  -1.392  -1.392
  534   1HG2  THR 325          3HG2      THR 325   7.429  -3.102  -3.102
  535   2HG2  THR 325          2HG2      THR 325   7.807  -1.552  -1.552
  536   3HG2  THR 325          1HG2      THR 325   6.316  -1.744  -1.744
  537    HA   PRO 326           HA       PRO 326   2.262  -5.445  -5.445
  538   1HB   PRO 326          2HB       PRO 326   0.452  -3.799  -3.799
  539   2HB   PRO 326          1HB       PRO 326   1.122  -5.265  -5.265
  540   1HG   PRO 326          2HG       PRO 326   1.772  -2.415  -2.415
  541   2HG   PRO 326          1HG       PRO 326   1.892  -3.822  -3.822
  542   1HD   PRO 326          2HD       PRO 326   4.047  -2.575  -2.575
  543   2HD   PRO 326          1HD       PRO 326   4.087  -4.178  -4.178
  544    H    ALA 327           H        ALA 327   0.554  -4.538  -4.538
  545    HA   ALA 327           HA       ALA 327   1.456  -1.959  -1.959
  546   1HB   ALA 327          3HB       ALA 327   1.427  -4.249  -4.249
  547   2HB   ALA 327          2HB       ALA 327  -0.303  -3.926  -3.926
  548   3HB   ALA 327          1HB       ALA 327   0.859  -2.780  -2.780
  549    H    ALA 328           H        ALA 328   0.120  -0.310  -0.310
  550    HA   ALA 328           HA       ALA 328  -2.745  -0.929  -0.929
  551   1HB   ALA 328          2HB       ALA 328  -0.811   0.829   0.829
  552   2HB   ALA 328          1HB       ALA 328  -2.171   1.778   1.778
  553   3HB   ALA 328          3HB       ALA 328  -2.449   0.458   0.458
  554    H    THR 329           H        THR 329  -4.329   0.724   0.724
  555    HA   THR 329           HA       THR 329  -3.438   2.298   2.298
  556    HB   THR 329           HB       THR 329  -5.241   1.271   1.271
  557    HG1  THR 329           HG1      THR 329  -6.389   0.354   0.354
  558   1HG2  THR 329          2HG2      THR 329  -2.758   0.599   0.599
  559   2HG2  THR 329          1HG2      THR 329  -3.275  -0.826  -0.826
  560   3HG2  THR 329          3HG2      THR 329  -3.890  -0.541  -0.541
  561    H    CYS 330           H        CYS 330  -4.508   4.212   4.212
  562    HA   CYS 330           HA       CYS 330  -6.773   4.527   4.527
  563   1HB   CYS 330          2HB       CYS 330  -4.949   6.231   6.231
  564   2HB   CYS 330          1HB       CYS 330  -5.442   6.582   6.582
  565    H    ALA 331           H        ALA 331  -8.861   4.413   4.413
  566    HA   ALA 331           HA       ALA 331  -9.507   5.097   5.097
  567   1HB   ALA 331          2HB       ALA 331 -10.222   2.540   2.540
  568   2HB   ALA 331          1HB       ALA 331 -11.107   3.099   3.099
  569   3HB   ALA 331          3HB       ALA 331  -9.391   2.713   2.713
  570    H    GLY 332           H        GLY 332 -11.994   5.257   5.257
  571   1HA   GLY 332          2HA       GLY 332 -13.988   5.428   5.428
  572   2HA   GLY 332          1HA       GLY 332 -12.991   6.749   6.749
  573    H    SER 333           HN       SER 333 -15.699   6.625   6.625
  574    HA   SER 333           HA       SER 333 -15.271   7.932   7.932
  575   1HB   SER 333          2HB       SER 333 -17.363   6.645   6.645
  576   2HB   SER 333          1HB       SER 333 -17.786   8.098   8.098
  577    HG   SER 333           HG       SER 333 -17.041   8.320   8.320