*HEADER   HYDROLASE                               12-JAN-96   1KUL    
*TITLE    GLUCOAMYLASE, GRANULAR STARCH-BINDING DOMAIN, NMR,          
*TITLE   2 5 STRUCTURES                                               
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: GLUCOAMYLASE;                                    
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: BINDING DOMAIN, RESIDUES 509 - 616;              
*COMPND  5 SYNONYM: 1,4-ALPHA-D-GLUCAN GLUCOHYDROLASE;                
*COMPND  6 EC: 3.2.1.3;                                               
*COMPND  7 ENGINEERED: YES;                                           
*COMPND  8 OTHER_DETAILS: PH 5.2, 313 K                               
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: ASPERGILLUS NIGER;                    
*SOURCE  3 STRAIN: AB4.1;                                             
*SOURCE  4 EXPRESSION_SYSTEM_PLASMID: PIGF;                           
*SOURCE  5 EXPRESSION_SYSTEM_GENE: A. NIGER GLAA                      
*KEYWDS   HYDROLASE, STARCH BINDING DOMAIN                            
*EXPDTA   NMR, 5 STRUCTURES                                           
*AUTHOR   K.SORIMACHI,A.J.JACKS,M.-F.LE GAL-COEFFET,G.WILLIAMSON,     
*AUTHOR  2 D.B.ARCHER,M.P.WILLIAMSON                                  
*REVDAT  1   11-JUL-96 1KUL    0                                      

------------------------------------------------------------------
!sbdrest.txt
!
!NMR restraints file (X-PLOR format)
!
!Starch binding domain of glucoamylase from Aspergillus niger
!NMR, pH 5.2, 313 K
!
!----------------------------------------------------------------------------------
!
!Distance constraints
! 
!class intra  ! 115
assign (resid  519 and name HA   )(resid  519 and name HB1  )   5.00  3.10  0.80 !1
assign (resid  519 and name HA   )(resid  519 and name HB2  )   3.50  1.60  0.60 !3
assign (resid  519 and name HA   )(resid  519 and name HD#  )   2.70  0.80  0.40 !5
assign (resid  519 and name HB1  )(resid  519 and name HD#  )   2.40  0.50  0.30 !7
assign (resid  519 and name HB2  )(resid  519 and name HD#  )   2.40  0.50  0.30 !7
assign (resid  519 and name HB1  )(resid  519 and name HE#  )   5.00  3.10  0.80 !1
assign (resid  519 and name HB2  )(resid  519 and name HE#  )   4.00  2.10  0.70 !2 
assign (resid  519 and name HN   )(resid  519 and name HB1  )   3.00  1.10  0.50 !4
assign (resid  519 and name HN   )(resid  519 and name HB2  )   3.50  1.60  0.60 !3 
assign (resid  521 and name HA   )(resid  521 and name HB1  )   5.00  3.10  0.80 !1
assign (resid  521 and name HA   )(resid  521 and name HB2  )   3.50  1.60  0.60 !3
assign (resid  521 and name HN   )(resid  521 and name HB1  )   3.00  1.10  0.50 !4
assign (resid  521 and name HN   )(resid  521 and name HB2  )   3.50  1.60  0.60 !3
assign (resid  527 and name HA   )(resid  527 and name HB2  )   2.40  0.50  0.30 !6 o
assign (resid  527 and name HA   )(resid  527 and name HB1  )   2.70  0.80  0.40 !5
assign (resid  527 and name HA   )(resid  527 and name HD#  )   2.40  0.50  0.30 !5
assign (resid  527 and name HB2  )(resid  527 and name HD#  )   2.40  0.50  0.30 !7
assign (resid  527 and name HB1  )(resid  527 and name HD#  )   2.40  0.50  0.30 !7
assign (resid  527 and name HN   )(resid  527 and name HB#  )   2.40  0.50  0.30 !7
assign (resid  530 and name HA   )(resid  530 and name HB2  )   3.00  1.10  0.50 !4
assign (resid  530 and name HA   )(resid  530 and name HB1  )   2.70  0.80  0.40 !5
assign (resid  530 and name HB1  )(resid  530 and name HD2# )   4.00  2.10  0.70 !2
assign (resid  530 and name HB2  )(resid  530 and name HD2# )   3.50  1.60  0.60 !3
assign (resid  530 and name HN   )(resid  530 and name HB2  )   3.00  1.10  0.50 !4
assign (resid  530 and name HN   )(resid  530 and name HB1  )   3.50  1.60  0.60 !3
assign (resid  532 and name HA   )(resid  532 and name HB#  )   4.00  2.10  0.70 !2
assign (resid  532 and name HA   )(resid  532 and name HD#  )   2.40  0.50  0.30 !6
assign (resid  532 and name HB1  )(resid  532 and name HD#  )   2.40  0.50  0.30 !8
assign (resid  532 and name HB2  )(resid  532 and name HD#  )   2.40  0.50  0.30 !9
assign (resid  532 and name HN   )(resid  532 and name HB1  )   3.00  1.10  0.50 !4
assign (resid  532 and name HN   )(resid  532 and name HB2  )   3.00  1.10  0.50 !4
assign (resid  539 and name HA   )(resid  539 and name HB1  )   3.00  1.10  0.50 !4
assign (resid  539 and name HA   )(resid  539 and name HB2  )   2.40  0.50  0.30 !6
assign (resid  539 and name HG#  )(resid  539 and name HE2# )   3.00  1.10  0.50 !3 
assign (resid  539 and name HN   )(resid  539 and name HB1  )   3.00  1.10  0.50 !4
assign (resid  539 and name HN   )(resid  539 and name HB2  )   3.50  1.60  0.60 !3
assign (resid  540 and name HA   )(resid  540 and name HB1  )   2.70  0.80  0.40 !5
assign (resid  540 and name HA   )(resid  540 and name HB2  )   2.70  0.80  0.40 !5
assign (resid  540 and name HN   )(resid  540 and name HB2  )   4.00  2.10  0.70 !2
assign (resid  540 and name HN   )(resid  540 and name HB1  )   3.50  1.60  0.60 !3 o/l n540:g567
assign (resid  543 and name HB#  )(resid  543 and name HD1  )   2.40  0.50  0.30 !7
assign (resid  543 and name HB#  )(resid  543 and name HE1  )   5.00  3.10  0.80 !1
assign (resid  543 and name HA   )(resid  543 and name HE3  )   2.40  0.50  0.30 !7
assign (resid  543 and name HB#  )(resid  543 and name HE3  )   3.50  1.50  0650 !3
assign (resid  546 and name HA   )(resid  546 and name HB2  )   2.40  0.50  0.30 !6
assign (resid  546 and name HA   )(resid  546 and name HB1  )   2.40  0.50  0.30 !8
assign (resid  546 and name HN   )(resid  546 and name HB2  )   2.70  0.80  0.40 !5 o/l
assign (resid  546 and name HN   )(resid  546 and name HB1  )   3.50  1.60  0.60 !3
assign (resid  551 and name HA   )(resid  551 and name HB1  )   3.50  1.60  0.60 !3
assign (resid  551 and name HA   )(resid  551 and name HB2  )   3.50  1.60  0.60 !3
assign (resid  551 and name HN   )(resid  551 and name HB2  )   4.00  2.10  0.70 !2
assign (resid  551 and name HN   )(resid  551 and name HB1  )   3.00  1.10  0.50 !4
assign (resid  552 and name HA   )(resid  552 and name HB2  )   3.00  1.10  0.50 !4
assign (resid  552 and name HA   )(resid  552 and name HB1  )   2.40  0.50  0.30 !6
assign (resid  552 and name HN   )(resid  552 and name HB2  )   2.70  0.80  0.40 !5
assign (resid  552 and name HN   )(resid  552 and name HB1  )   3.00  1.10  0.50 !4
assign (resid  554 and name HA   )(resid  554 and name HB2  )   2.40  0.50  0.30 !7
assign (resid  554 and name HA   )(resid  554 and name HB1  )   2.40  0.50  0.30 !8
assign (resid  554 and name HN   )(resid  554 and name HB2  )   2.70  0.80  0.40 !5
assign (resid  554 and name HN   )(resid  554 and name HB1  )   3.00  1.10  0.50 !4
assign (resid  556 and name HN   )(resid  556 and name HD#  )   3.50  1.60  0.60 !3
assign (resid  559 and name HA   )(resid  559 and name HB#  )   3.50  1.60  0.60 !3
assign (resid  559 and name HN   )(resid  559 and name HB#  )   3.50  1.60  0.60 !3
assign (resid  563 and name HA   )(resid  563 and name HB2  )   2.40  0.50  0.30 !6
assign (resid  563 and name HB1  )(resid  563 and name HD1  )   3.50  1.60  0.60 !3
assign (resid  563 and name HB2  )(resid  563 and name HD1  )   3.00  1.10  0.50 !4
assign (resid  563 and name HA   )(resid  563 and name HE3  )   5.00  3.10  0.80 !1
assign (resid  563 and name HB1  )(resid  563 and name HE3  )   3.50  1.60  0.60 !3
assign (resid  563 and name HB2  )(resid  563 and name HE3  )   3.00  1.10  0.50 !4
assign (resid  563 and name HN   )(resid  563 and name HB#  )   4.00  2.10  0.70 !2
assign (resid  564 and name HB#  )(resid  564 and name HE#  )   3.00  1.10  0.50 !4
assign (resid  575 and name HA   )(resid  575 and name HD#  )   2.70  0.80  0.40 !5
assign (resid  575 and name HB#  )(resid  575 and name HD#  )   2.40  0.50  0.30 !9
assign (resid  577 and name HA   )(resid  577 and name HD#  )   3.00  1.10  0.50 !4
assign (resid  577 and name HB#  )(resid  577 and name HD#  )   2.40  0.50  0.30 !7
assign (resid  579 and name HB1  )(resid  579 and name HD#  )   3.00  1.10  0.50 !4
assign (resid  579 and name HB2  )(resid  579 and name HD#  )   2.70  0.80  0.40 !5
assign (resid  586 and name HA   )(resid  586 and name HB1  )   2.70  0.80  0.40 !5
assign (resid  586 and name HA   )(resid  586 and name HB2  )   2.70  0.80  0.40 !5
assign (resid  586 and name HN   )(resid  586 and name HB2  )   4.00  2.10  0.70 !2
assign (resid  590 and name HA   )(resid  590 and name HB1  )   4.00  2.10  0.70 !2
assign (resid  590 and name HA   )(resid  590 and name HB2  )   3.50  1.60  0.60 !3
assign (resid  590 and name HA   )(resid  590 and name HD1  )   3.50  1.60  0.60 !3 
assign (resid  590 and name HB2  )(resid  590 and name HD1  )   3.50  1.60  0.60 !3
assign (resid  590 and name HA   )(resid  590 and name HE3  )   3.50  1.60  0.60 !3
assign (resid  590 and name HB1  )(resid  590 and name HE3  )   3.00  1.10  0.50 !4
assign (resid  590 and name HB2  )(resid  590 and name HE3  )   3.50  1.60  0.60 !3
assign (resid  590 and name HN   )(resid  590 and name HB1  )   2.70  0.80  0.40 !5
assign (resid  590 and name HN   )(resid  590 and name HB2  )   3.00  1.10  0.50 !4
assign (resid  591 and name HA   )(resid  591 and name HB1  )   3.00  1.10  0.50 !4
assign (resid  591 and name HA   )(resid  591 and name HB2  )   3.00  1.10  0.50 !4
assign (resid  591 and name HN   )(resid  591 and name HB2  )   3.00  1.10  0.50 !4
assign (resid  591 and name HN   )(resid  591 and name HB1  )   3.50  0.50  0.50 !6 o
assign (resid  593 and name HA   )(resid  593 and name HB1  )   3.50  1.60  0.60 !3
assign (resid  593 and name HA   )(resid  593 and name HB2  )   3.00  1.10  0.50 !4
assign (resid  593 and name HN   )(resid  593 and name HB1  )   3.00  1.10  0.50 !4 o/l
assign (resid  593 and name HN   )(resid  593 and name HB2  )   2.70  0.80  0.40 !5
assign (resid  595 and name HB2  )(resid  595 and name HD2# )   4.00  2.10  0.70 !2 for 2nd delta     
assign (resid  596 and name HA   )(resid  596 and name HB1  )   5.00  3.10  0.80 !1
assign (resid  596 and name HA   )(resid  596 and name HB2  )   3.00  1.10  0.50 !4
assign (resid  596 and name HN   )(resid  596 and name HB1  )   3.50  1.60  0.60 !3
assign (resid  596 and name HN   )(resid  596 and name HB2  )   4.00  2.10  0.70 !2
assign (resid  598 and name HA   )(resid  598 and name HB2  )   4.00  2.10  0.70 !2
assign (resid  598 and name HA   )(resid  598 and name HB1  )   2.40  0.50  0.30 !6
assign (resid  598 and name HA   )(resid  598 and name HD#  )   2.40  0.50  0.30 !6
assign (resid  598 and name HB1  )(resid  598 and name HD#  )   2.40  0.50  0.30 !6
assign (resid  598 and name HB2  )(resid  598 and name HD#  )   2.40  0.50  0.30 !7
assign (resid  598 and name HB2  )(resid  598 and name HE#  )   4.00  2.10  0.70 !2
assign (resid  598 and name HA   )(resid  598 and name HE#  )   4.00  2.10  0.70 !2
assign (resid  598 and name HN   )(resid  598 and name HB2  )   3.50  1.60  0.60 !3
assign (resid  598 and name HN   )(resid  598 and name HB1  )   3.50  0.50  0.50 !2
assign (resid  615 and name HA   )(resid  615 and name HD1  )   3.50  1.60  0.60 !3
assign (resid  615 and name HB1  )(resid  615 and name HD1  )   3.00  1.00  0.50 !4 o/l
assign (resid  615 and name HA   )(resid  615 and name HE3  )   3.00  1.10  0.50 !4
assign (resid  615 and name HB2  )(resid  615 and name HE3  )   4.00  2.10  0.70 !2
!class seq  ! 290
assign (resid  510 and name HB   )(resid  511 and name HN   )   4.00  2.10  0.70 !2
assign (resid  513 and name HA   )(resid  514 and name HN   )   3.50  1.60  0.60 !3
assign (resid  513 and name HN   )(resid  514 and name HN   )   3.00  1.10  0.50 !4
assign (resid  514 and name HB#  )(resid  515 and name HN   )   2.70  0.80  0.40 !5
assign (resid  514 and name HN   )(resid  515 and name HN   )   5.00  3.10  0.80 !1
assign (resid  515 and name HA   )(resid  516 and name HN   )   2.40  0.50  0.30 !7
assign (resid  515 and name HG1# )(resid  516 and name HN   )   2.70  0.80  0.40 !5
assign (resid  515 and name HG2# )(resid  516 and name HN   )   4.00  2.10  0.70 !2
assign (resid  516 and name HA   )(resid  517 and name HN   )   2.40  0.50  0.30 !8
assign (resid  516 and name HB#  )(resid  517 and name HN   )   2.70  0.80  0.40 !5
assign (resid  516 and name HN   )(resid  517 and name HN   )   5.00  3.10  0.80 !1
assign (resid  517 and name HA   )(resid  518 and name HN   )   2.40  0.50  0.30 !8
assign (resid  517 and name HG2# )(resid  518 and name HN   )   5.00  3.10  0.80 !1 o/l 610g:518hn
assign (resid  517 and name HG1# )(resid  518 and name HN   )   3.00  1.10  0.50 !4
assign (resid  518 and name HA   )(resid  519 and name HD#  )   3.00  1.10  0.50 !4
assign (resid  518 and name HA   )(resid  519 and name HN   )   2.40  0.50  0.30 !7
assign (resid  518 and name HG2# )(resid  519 and name HN   )   2.70  0.80  0.40 !5
assign (resid  518 and name HN   )(resid  519 and name HN   )   5.00  3.10  0.80 !1
assign (resid  519 and name HA   )(resid  520 and name HN   )   2.40  0.50  0.30 !7
assign (resid  519 and name HB2  )(resid  520 and name HN   )   5.00  3.10  0.80 !1
assign (resid  519 and name HD#  )(resid  520 and name HA   )  5.00  3.10  0.80 !1
assign (resid  519 and name HD#  )(resid  520 and name HN   )   4.00  2.10  0.70 !2
assign (resid  519 and name HN   )(resid  520 and name HN   )   5.00  3.10  0.80 !1
assign (resid  520 and name HA   )(resid  521 and name HN   )   2.40  0.50  0.30 !7 lwr frm 8 to 7 o/l 520a:563n
assign (resid  520 and name HB1  )(resid  521 and name HN   )   5.00  3.10  0.80 !1
assign (resid  520 and name HN   )(resid  521 and name HN   )   4.00  2.10  0.70 !2 o
assign (resid  520 and name HN   )(resid  521 and name HD#  )   5.00  3.10  0.80 !1
assign (resid  521 and name HA   )(resid  522 and name HN   )   2.40  0.50  0.30 !7
assign (resid  521 and name HD1#  )(resid  522 and name HN   )   2.70  0.80  0.40 !5
assign (resid  521 and name HB2  )(resid  522 and name HN   )   4.00  2.10  0.70 !2
assign (resid  521 and name HG   )(resid  522 and name HN   )   4.00  2.10  0.70 !2
assign (resid  522 and name HA   )(resid  523 and name HN   )   2.40  0.50  0.30 !9
assign (resid  522 and name HG2# )(resid  523 and name HN   )   3.50  1.60  0.60 !3
assign (resid  523 and name HA   )(resid  524 and name HN   )   2.40  0.50  0.30 !9
assign (resid  523 and name HN   )(resid  524 and name HN   )   5.00  3.10  0.80 !1 o
assign (resid  524 and name HA   )(resid  525 and name HN   )   2.40  0.50  0.30 !7
assign (resid  524 and name HB   )(resid  525 and name HN   )   4.00  2.10  0.70 !2
assign (resid  524 and name HG2# )(resid  525 and name HN   )   2.70  0.80  0.40 !5
assign (resid  525 and name HA   )(resid  526 and name HN   )   2.40  0.50  0.30 !6
assign (resid  526 and name HG2# )(resid  527 and name HN   )   2.70  0.80  0.40 !5
assign (resid  526 and name HA   )(resid  527 and name HN   )   2.70  0.80  0.40 ! o with (585ha-586hn) !5
assign (resid  527 and name HA   )(resid  528 and name HN   )   2.40  0.50  0.30 !9
assign (resid  527 and name HB2  )(resid  528 and name HN   )   4.00  2.10  0.70 !2
assign (resid  527 and name HB1  )(resid  528 and name HN   )   3.50  1.60  0.60 !3
assign (resid  527 and name HD#  )(resid  528 and name HA#  )   3.00  1.10  0.50 !4
assign (resid  528 and name HN   )(resid  529 and name HN   )   2.40  0.50  0.30 !6
assign (resid  528 and name HA#  )(resid  529 and name HN   )   3.00  1.10  0.50 !4
assign (resid  529 and name HA   )(resid  530 and name HN   )   2.40  0.50  0.30 !9
assign (resid  529 and name HB#  )(resid  530 and name HN   )   3.50  1.60  0.60 !3
assign (resid  529 and name HG#  )(resid  530 and name HN   )   5.00  3.10  0.80 !1
assign (resid  529 and name HN   )(resid  530 and name HN   )   4.00  2.10  0.70 !2
assign (resid  530 and name HA   )(resid  531 and name HN   )   2.40  0.50  0.30 !8
assign (resid  530 and name HB1  )(resid  531 and name HN   )   3.00  1.10  0.50 !4
assign (resid  530 and name HB2  )(resid  531 and name HN   )   4.00  2.10  0.70 !2 
assign (resid  530 and name HB2  )(resid  531 and name HA   )   5.00  3.10  0.80 !1
assign (resid  531 and name HA   )(resid  532 and name HN   )   2.40  0.50  0.30 !7
assign (resid  531 and name HB   )(resid  532 and name HN   )   5.00  3.10  0.80 !1
assign (resid  531 and name HD1# )(resid  532 and name HN   )   4.00  2.10  0.70 !2
assign (resid  531 and name HG1# )(resid  532 and name HN   )   4.00  2.10  0.70 !2
assign (resid  531 and name HG2# )(resid  532 and name HN   )   2.40  0.50  0.30 !7
assign (resid  531 and name HN   )(resid  532 and name HD#  )   5.00  3.10  0.80 !1
assign (resid  531 and name HA   )(resid  532 and name HD#  )   2.70  0.80  0.40 !5
assign (resid  532 and name HA   )(resid  533 and name HN   )   2.40  0.50  0.30 !7
assign (resid  532 and name HB2  )(resid  533 and name HN   )   2.70  0.80  0.40 !5
assign (resid  532 and name HB1  )(resid  533 and name HN   )   4.00  2.10  0.70 !2
assign (resid  532 and name HD#  )(resid  533 and name HN   )   3.50  1.60  0.60 !3
assign (resid  533 and name HA   )(resid  534 and name HN   )   2.40  0.50  0.30 ! o !6 
assign (resid  534 and name HA   )(resid  535 and name HN   )   2.40  0.50  0.30 !8
assign (resid  534 and name HB   )(resid  535 and name HN   )   3.00  1.10  0.50 !4 o/l b-z2543
assign (resid  534 and name HG2#  )(resid  535 and name HN   )   2.40  0.50  0.30 !7
assign (resid  534 and name HG1#  )(resid  535 and name HN   )   3.00  1.10  0.50 !4
assign (resid  535 and name HA#  )(resid  536 and name HN   )   2.70  0.80  0.40 !5
assign (resid  536 and name HA   )(resid  537 and name HN   )   4.00  2.10  0.70 !2
assign (resid  537 and name HA   )(resid  538 and name HN   )   5.00  3.10  0.80 !1 o/l
assign (resid  537 and name HB   )(resid  538 and name HN   )   3.00  1.10  0.50 !4
assign (resid  538 and name HB#  )(resid  539 and name HN   )   3.00  1.10  0.50 !4
assign (resid  539 and name HA   )(resid  540 and name HN   )   4.00  2.10  0.70 !2
assign (resid  539 and name HN   )(resid  540 and name HN   )   4.00  2.10  0.70 !2
assign (resid  540 and name HA   )(resid  541 and name HN   )   3.00  1.10  0.50 !4
assign (resid  540 and name HG   )(resid  541 and name HN   )   5.00  3.10  0.80 !1
assign (resid  540 and name HN   )(resid  541 and name HN   )   2.40  0.50  0.30 !7
assign (resid  541 and name HA#  )(resid  542 and name HN   )   5.00  3.10  0.80 !1
assign (resid  541 and name HN   )(resid  542 and name HN   )   2.40  0.50  0.30 !6
assign (resid  542 and name HA   )(resid  543 and name HN   )   2.70  0.80  0.40 !5 o/l
assign (resid  542 and name HN   )(resid  543 and name HN   )   3.00  1.10  0.50 !4
assign (resid  543 and name HA   )(resid  544 and name HN   )   3.50  1.60  0.60 !3 
assign (resid  543 and name HN   )(resid  544 and name HN   )   3.00  1.10  0.50 !4
assign (resid  544 and name HA   )(resid  545 and name HN   )   2.40  0.50  0.30 !9
assign (resid  544 and name HB#  )(resid  545 and name HN   )   2.70  0.80  0.40 !5
assign (resid  544 and name HN   )(resid  545 and name HN   )   5.00  3.10  0.80 !1 o
assign (resid  545 and name HA   )(resid  546 and name HN   )   3.00  1.10  0.50 !4
assign (resid  545 and name HA   )(resid  546 and name HA   )   5.00  3.10  0.80 !1
assign (resid  545 and name HN   )(resid  546 and name HN   )   2.70  0.80  0.40 !5
assign (resid  546 and name HA   )(resid  547 and name HN   )   2.70  0.80  0.40 !5
assign (resid  546 and name HB1  )(resid  547 and name HN   )   4.00  2.10  0.70 !2 o
assign (resid  546 and name HN   )(resid  547 and name HN   )   2.40  0.50  0.30 !8
assign (resid  547 and name HA   )(resid  548 and name HN   )   2.70  0.80  0.40 !5
assign (resid  547 and name HN   )(resid  548 and name HN   )   2.40  0.50  0.30 !8
assign (resid  547 and name HB1  )(resid  548 and name HN   )   3.50  1.60  0.60 !3!could also be long-range 
assign (resid  548 and name HA#  )(resid  549 and name HN   )   2.70  0.80  0.40 !5 
assign (resid  548 and name HN   )(resid  549 and name HN   )   3.50  1.60  0.60 !3
assign (resid  549 and name HA   )(resid  550 and name HN   )   2.40  0.50  0.30 !11
assign (resid  549 and name HB   )(resid  550 and name HN   )   4.00  2.10  0.70 !2
assign (resid  549 and name HD1# )(resid  550 and name HN   )   5.00  3.10  0.80 !1
assign (resid  549 and name HG2# )(resid  550 and name HN   )   2.40  0.50  0.30 !7
assign (resid  549 and name HN   )(resid  550 and name HN   )   4.00  2.10  0.70 !2
assign (resid  550 and name HA   )(resid  551 and name HN   )   2.40  0.50  0.30 !9
assign (resid  550 and name HB#  )(resid  551 and name HN   )   2.40  0.50  0.30 !6
assign (resid  550 and name HN   )(resid  551 and name HN   )   4.00  2.10  0.70 !2
assign (resid  550 and name HA   )(resid  551 and name HD1# )   3.00  1.10  0.50 !4  
assign (resid  551 and name HA   )(resid  552 and name HN   )   3.00  1.10  0.50 !4
assign (resid  551 and name HB1  )(resid  552 and name HN   )   5.00  3.10  0.80 !1 
assign (resid  551 and name HB2  )(resid  552 and name HN   )   3.50  1.60  0.60 !3
assign (resid  552 and name HA   )(resid  553 and name HN   )   2.40  0.50  0.30 !8
assign (resid  552 and name HB1  )(resid  553 and name HN   )   5.00  3.10  0.80 !1
assign (resid  553 and name HA   )(resid  554 and name HN   )   3.50  1.60  0.60 !3
assign (resid  553 and name HB#  )(resid  554 and name HN   )   3.00  1.10  0.50 !4
assign (resid  553 and name HN   )(resid  554 and name HN   )   2.40  0.50  0.30 !6
assign (resid  554 and name HA   )(resid  555 and name HN   )   4.00  2.10  0.70 !2
assign (resid  554 and name HN   )(resid  555 and name HN   )   4.00  2.10  0.70 !2
assign (resid  555 and name HA   )(resid  556 and name HN   )   3.00  1.10  0.50 !4
assign (resid  555 and name HB#  )(resid  556 and name HN   )   4.00  2.10  0.70 !2
assign (resid  555 and name HN   )(resid  556 and name HB1  )   5.00  3.10  0.80 !1
assign (resid  555 and name HN   )(resid  556 and name HN   )   2.40  0.50  0.30 !6
assign (resid  556 and name HA   )(resid  557 and name HN   )   2.70  0.80  0.40 !5 o/l
assign (resid  556 and name HB2  )(resid  557 and name HN   )   5.00  3.10  0.80 !1
assign (resid  556 and name HD#  )(resid  557 and name HN   )   2.70  0.80  0.40 !5
assign (resid  556 and name HD#  )(resid  557 and name HA   )   2.70  0.80  0.40 !5
assign (resid  556 and name HN   )(resid  557 and name HN   )   5.00  3.10  0.80 !1
assign (resid  558 and name HA   )(resid  559 and name HN   )   3.50  1.60  0.60 !3
assign (resid  558 and name HB#  )(resid  559 and name HN   )   3.00  1.10  0.50 !4
assign (resid  558 and name HN   )(resid  559 and name HN   )   4.00  2.10  0.70 !2
assign (resid  559 and name HA   )(resid  560 and name HN   )   3.00  1.10  0.50 !4
assign (resid  559 and name HB#  )(resid  560 and name HN   )   3.50  1.60  0.60 !3
assign (resid  559 and name HN   )(resid  560 and name HN   )   2.70  0.80  0.40 !5
assign (resid  560 and name HA   )(resid  561 and name HD#  )   3.00  1.10  0.50 !4
assign (resid  560 and name HN   )(resid  561 and name HD#  )   4.00  2.10  0.70 !2
assign (resid  561 and name HA   )(resid  562 and name HN   )   2.40  0.50  0.30 !8
assign (resid  561 and name HD#  )(resid  562 and name HD#  )   3.00  1.10  0.50 !4
assign (resid  562 and name HA   )(resid  563 and name HD1  )   3.50  1.60  0.60 !3
assign (resid  562 and name HA   )(resid  563 and name HN   )   2.40  0.50  0.30 !8
assign (resid  562 and name HB#  )(resid  563 and name HN   )   4.00  2.10  0.70 !2
assign (resid  562 and name HD#  )(resid  563 and name HN   )   4.00  2.10  0.70 !2
assign (resid  562 and name HG   )(resid  563 and name HN   )   5.00  3.10  0.80 !1
assign (resid  562 and name HN   )(resid  563 and name HN   )   5.00  3.10  0.80 !1
assign (resid  563 and name HA   )(resid  564 and name HN   )   2.40  0.50  0.30 !6
assign (resid  563 and name HB2  )(resid  564 and name HN   )   4.00  2.10  0.70 !2
assign (resid  563 and name HB1  )(resid  564 and name HN   )   5.00  3.10  0.80 !1
assign (resid  564 and name HA   )(resid  565 and name HN   )   2.40  0.50  0.30 !8
assign (resid  564 and name HA   )(resid  565 and name HG2# )   4.00  2.10  0.70 !2
assign (resid  564 and name HB#  )(resid  565 and name HN   )   2.70  0.80  0.40 !5
assign (resid  564 and name HD#  )(resid  565 and name HA   )   3.00  1.10  0.50 !4
assign (resid  564 and name HD#  )(resid  565 and name HN   )   3.00  1.10  0.50 !4
assign (resid  565 and name HA   )(resid  566 and name HN   )   2.40  0.50  0.30 ! o !9
assign (resid  565 and name HB   )(resid  566 and name HN   )   3.50  1.60  0.60 !3
assign (resid  565 and name HG1# )(resid  566 and name HN   )   2.40  0.50  0.30 !8
assign (resid  565 and name HG2# )(resid  566 and name HN   )   3.00  1.10  0.50 !3
assign (resid  566 and name HA   )(resid  567 and name HN   )   2.40  0.50  0.30 !8
assign (resid  566 and name HB   )(resid  567 and name HN   )   4.00  2.10  0.70 !2
assign (resid  566 and name HG2# )(resid  567 and name HN   )   3.00  1.10  0.50 !4 o/l
assign (resid  567 and name HA   )(resid  568 and name HN   )   2.40  0.50  0.30 !9
assign (resid  567 and name HB   )(resid  568 and name HN   )   5.00  3.10  0.80 !1
assign (resid  567 and name HG#  )(resid  568 and name HB   )   3.50  1.60  0.60 !3
assign (resid  568 and name HA   )(resid  569 and name HN   )   2.40  0.50  0.30 !7
assign (resid  568 and name HG2# )(resid  569 and name HN   )   2.70  0.80  0.40 !5
assign (resid  569 and name HA   )(resid  570 and name HD#  )   2.40  0.50  0.30 !6
assign (resid  569 and name HD2# )(resid  570 and name HD#  )   3.00  1.10  0.50 !4 
assign (resid  569 and name HG   )(resid  570 and name HD#  )   4.00  2.10  0.70 !2
assign (resid  570 and name HA   )(resid  571 and name HN   )   2.40  0.50  0.30 !6
assign (resid  570 and name HB#  )(resid  571 and name HN   )   5.00  3.10  0.80 !1 for NH 7.67
assign (resid  570 and name HD#  )(resid  571 and name HN   )   4.00  2.10  0.70 !2
assign (resid  571 and name HA   )(resid  572 and name HN   )   2.70  0.80  0.40 !5
assign (resid  571 and name HB#  )(resid  572 and name HN   )   3.00  1.10  0.50 !4 o
assign (resid  572 and name HA#  )(resid  573 and name HN   )   5.00  3.10  0.80 !1
assign (resid  573 and name HA   )(resid  574 and name HN   )   2.40  0.50  0.30 !9
assign (resid  573 and name HB#  )(resid  574 and name HN   )   3.50  1.60  0.60 !3
assign (resid  573 and name HG#  )(resid  574 and name HN   )   4.00  2.10  0.70 !2
assign (resid  574 and name HA   )(resid  575 and name HN   )   2.40  0.50  0.30 !8
assign (resid  574 and name HB2  )(resid  575 and name HN   )   4.00  2.10  0.70 !2
assign (resid  574 and name HA   )(resid  575 and name HD#  )   3.50  1.60  0.60 !3 !may be 577:574 
assign (resid  575 and name HA   )(resid  576 and name HN   )   2.40  0.50  0.30 !7
assign (resid  575 and name HB#  )(resid  576 and name HN   )   2.40  0.50  0.30 !6 
assign (resid  576 and name HA   )(resid  577 and name HD#  )   4.00  2.10  0.70 !2
assign (resid  576 and name HA   )(resid  577 and name HN   )   2.40  0.50  0.30 !8
assign (resid  576 and name HB#  )(resid  577 and name HN   )   3.00  1.10  0.50 !3
assign (resid  576 and name HG#  )(resid  577 and name HD#  )   4.00  2.10  0.70 !2 o/l 573:575
assign (resid  576 and name HB#  )(resid  577 and name HD#  )   5.00  3.10  0.80 !1
assign (resid  576 and name HN   )(resid  577 and name HN   )   5.00  3.10  0.80 !1
assign (resid  577 and name HA   )(resid  578 and name HN   )   2.40  0.50  0.30 !7
assign (resid  577 and name HB#  )(resid  578 and name HN   )   2.40  0.50  0.30 !6
assign (resid  577 and name HD#  )(resid  578 and name HN   )   3.50  1.60  0.60 !3
assign (resid  578 and name HA   )(resid  579 and name HN   )   2.40  0.50  0.30 !6
assign (resid  578 and name HB#  )(resid  579 and name HN   )   4.00  2.10  0.70 !2
assign (resid  579 and name HA   )(resid  580 and name HN   )   2.40  0.50  0.30 !7
assign (resid  579 and name HB1  )(resid  580 and name HN   )   5.00  3.10  0.80 !1
assign (resid  579 and name HB2  )(resid  580 and name HN   )   3.00  1.10  0.50 !4
assign (resid  579 and name HD#  )(resid  580 and name HA   )   3.50  1.60  0.60 !3
assign (resid  579 and name HB2  )(resid  580 and name HG1#  )  3.50  1.60  0.60 !3 o/l 518g:564b, so red frm 4 to 3
assign (resid  580 and name HA   )(resid  581 and name HN   )   2.40  0.50  0.30 !7
assign (resid  580 and name HN   )(resid  581 and name HN   )   4.00  2.10  0.70 !2
assign (resid  580 and name HB   )(resid  581 and name HN   )   3.00  1.10  0.50 !4 o/l
assign (resid  580 and name HD1# )(resid  581 and name HN   )   4.00  2.10  0.70 !2
assign (resid  580 and name HG2# )(resid  581 and name HN   )   3.00  1.10  0.50 !4
assign (resid  581 and name HB#  )(resid  582 and name HN   )   3.50  1.60  0.60 !3
assign (resid  582 and name HA   )(resid  583 and name HN   )   2.40  0.50  0.30 !9
assign (resid  582 and name HG2# )(resid  583 and name HN   )   2.40  0.50  0.30 !6
assign (resid  583 and name HA   )(resid  584 and name HN   )   2.40  0.50  0.30 !8
assign (resid  583 and name HB1  )(resid  584 and name HN   )   4.00  2.10  0.70 !2
assign (resid  583 and name HG#  )(resid  584 and name HN   )   3.50  1.60  0.60 !3
assign (resid  584 and name HA   )(resid  585 and name HN   )   2.70  0.80  0.40 !5
assign (resid  584 and name HB2  )(resid  585 and name HN   )   5.00  3.10  0.80 !1
assign (resid  584 and name HN   )(resid  585 and name HN   )   2.40  0.50  0.30 !5
assign (resid  585 and name HA   )(resid  586 and name HN   )   2.40  0.50  0.30 ! o with (526ha-527hn) !5
assign (resid  586 and name HA   )(resid  587 and name HN   )   2.70  0.80  0.40 !5
assign (resid  586 and name HN   )(resid  587 and name HN   )   2.70  0.80  0.40 !5
assign (resid  587 and name HA   )(resid  588 and name HN   )   2.40  0.50  0.30 !9
assign (resid  587 and name HB#  )(resid  588 and name HN   )   2.70  0.80  0.40 !5 
assign (resid  587 and name HB#  )(resid  588 and name HG1#  )   3.50  1.60  0.60 !3 o/l g515:a600
assign (resid  588 and name HB   )(resid  589 and name HN   )   5.00  3.10  0.80 !1
assign (resid  588 and name HG1# )(resid  589 and name HN   )   3.00  1.10  0.50 !4
assign (resid  588 and name HG2# )(resid  589 and name HN   )   2.40  0.50  0.30 !6
assign (resid  588 and name HN   )(resid  589 and name HN   )   5.00  3.10  0.80 !1
assign (resid  589 and name HA   )(resid  590 and name HD1  )   2.40  0.50  0.30 !6
assign (resid  589 and name HA   )(resid  590 and name HN   )   2.40  0.50  0.30 !10
assign (resid  589 and name HA   )(resid  590 and name HB1  )   4.00  2.10  0.70 !2
assign (resid  589 and name HB1  )(resid  590 and name HN   )   3.50  1.80  0.60 !3
assign (resid  589 and name HB2  )(resid  590 and name HN   )   3.50  1.80  0.60 !3
assign (resid  589 and name HG#  )(resid  590 and name HN   )   3.50  1.80  0.60 !3
assign (resid  590 and name HA   )(resid  591 and name HN   )   2.40  0.50  0.30 !7
assign (resid  590 and name HB1  )(resid  591 and name HN   )   4.00  2.10  0.70 !2
assign (resid  590 and name HB2  )(resid  591 and name HN   )   3.50  1.60  0.60 !3 o
assign (resid  590 and name HE3  )(resid  591 and name HB2  )   4.00  2.10  0.70 !2
assign (resid  590 and name HE3  )(resid  591 and name HB1  )   3.00  1.10  0.50 !4
assign (resid  590 and name HN   )(resid  591 and name HN   )   4.00  2.10  0.70 !2
assign (resid  591 and name HA   )(resid  592 and name HN   )   2.40  0.50  0.30 !7
assign (resid  591 and name HB2  )(resid  592 and name HN   )   3.00  1.10  0.50 !4
assign (resid  591 and name HB1  )(resid  592 and name HN   )   3.50  1.60  0.60 !3
assign (resid  592 and name HA   )(resid  593 and name HN   )   2.70  0.80  0.40 !5
assign (resid  592 and name HB2  )(resid  593 and name HN   )   3.00  1.10  0.50 !3
assign (resid  592 and name HB1  )(resid  593 and name HN   )   2.70  0.80  0.40 !5
assign (resid  592 and name HN   )(resid  593 and name HN   )   5.00  3.10  0.80 !1
assign (resid  593 and name HA   )(resid  594 and name HA   )   4.00  2.10  0.70 !2
assign (resid  593 and name HB2  )(resid  594 and name HA   )   5.00  3.10  0.80 !1
assign (resid  594 and name HA   )(resid  595 and name HN   )   2.70  0.80  0.40 !5 o/l n513:a512
assign (resid  594 and name HB#  )(resid  595 and name HN   )   3.00  1.10  0.50 !4
assign (resid  594 and name HG#  )(resid  595 and name HN   )   5.00  3.10  0.80 !1
assign (resid  596 and name HA   )(resid  597 and name HN   )   2.40  0.50  0.30 !8
assign (resid  596 and name HB1  )(resid  597 and name HN   )   5.00  3.10  0.80 !1
assign (resid  596 and name HB2  )(resid  597 and name HN   )   3.50  1.60  0.60 !3
assign (resid  598 and name HA   )(resid  599 and name HN   )   2.40  0.50  0.30 !7
assign (resid  598 and name HB1  )(resid  599 and name HN   )   4.00  2.10  0.70 !2
assign (resid  598 and name HB2  )(resid  599 and name HN   )   4.00  2.10  0.70 !2
assign (resid  598 and name HD#  )(resid  599 and name HN   )   2.70  0.80  0.40 !5
assign (resid  598 and name HE#  )(resid  599 and name HN   )   5.00  3.10  0.80 !1
assign (resid  598 and name HN   )(resid  599 and name HN   )   4.00  2.10  0.70 !2
assign (resid  599 and name HA   )(resid  600 and name HN   )   2.70  0.80  0.40 !5
assign (resid  599 and name HG2# )(resid  600 and name HN   )   3.00  1.10  0.50 !4 o/l
assign (resid  599 and name HN   )(resid  600 and name HN   )   5.00  3.10  0.80 !1
assign (resid  600 and name HG2# )(resid  601 and name HD#  )   2.70  0.80  0.40 !5
assign (resid  600 and name HG1# )(resid  601 and name HD#  )   2.70  0.80  0.40 !5
assign (resid  600 and name HG2# )(resid  601 and name HA   )   5.00  3.10  0.80 !1 o/l 515a:600g2
assign (resid  600 and name HG1# )(resid  601 and name HA   )   5.00  3.10  0.80 !1 o/l 
assign (resid  600 and name HA   )(resid  601 and name HD#  )   3.50  1.60  0.60 !3
assign (resid  600 and name HA   )(resid  601 and name HA   )   5.00  3.10  0.80 !1
assign (resid  601 and name HA   )(resid  602 and name HN   )   5.00  3.10  0.80 !9 !o
assign (resid  606 and name HA   )(resid  607 and name HN   )   3.00  1.10  0.50 !4
assign (resid  607 and name HA   )(resid  608 and name HN   )   3.00  1.10  0.50 ! o !6 o/l with (544ha-hn)
assign (resid  607 and name HN   )(resid  608 and name HN   )   4.00  2.10  0.70 !2
assign (resid  608 and name HA   )(resid  609 and name HN   )   2.40  0.50  0.30 !8
assign (resid  608 and name HG2# )(resid  609 and name HN   )   3.00  1.10  0.50 !4
assign (resid  609 and name HA   )(resid  610 and name HN   )   2.40  0.50  0.30 !8
assign (resid  609 and name HB#  )(resid  610 and name HN   )   2.40  0.50  0.30 !6
assign (resid  610 and name HN   )(resid  611 and name HN   )   5.00  3.10  0.80 !1
assign (resid  610 and name HA   )(resid  611 and name HN   )   2.40  0.50  0.30 !8
assign (resid  610 and name HG2# )(resid  611 and name HN   )   2.40  0.50  0.30 !6 
assign (resid  611 and name HA   )(resid  612 and name HN   )   2.40  0.50  0.30 !9
assign (resid  611 and name HB   )(resid  612 and name HN   )   5.00  3.10  0.80 !1
assign (resid  611 and name HG1# )(resid  612 and name HN   )   3.00  1.10  0.50 !4
assign (resid  611 and name HG2# )(resid  612 and name HN   )   3.50  1.60  0.60 !3
assign (resid  612 and name HA   )(resid  613 and name HN   )   2.40  0.50  0.30 !8
assign (resid  612 and name HB   )(resid  613 and name HN   )   4.00  2.10  0.70 !2
assign (resid  612 and name HG2# )(resid  613 and name HN   )   3.00  1.10  0.50 !4
assign (resid  613 and name HA   )(resid  614 and name HN   )   2.40  0.50  0.30 !8 !o
assign (resid  613 and name HB#  )(resid  614 and name HN   )   2.70  0.80  0.40 !5
assign (resid  614 and name HA   )(resid  615 and name HN   )   2.40  0.50  0.30 !8
assign (resid  614 and name HB   )(resid  615 and name HN   )   4.00  2.10  0.70 !2
assign (resid  614 and name HG2# )(resid  615 and name HN   )   2.70  0.80  0.40 !5 o/l
assign (resid  615 and name HA   )(resid  616 and name HN   )   3.00  1.10  0.50 !4 red frm 7 to 4,since o/l 523a:616n
assign (resid  615 and name HD1  )(resid  616 and name HA   )   2.40  0.50  0.30 !8
assign (resid  615 and name HN   )(resid  616 and name HN   )   4.00  2.10  0.70 !2
!class med ! 100
assign (resid  510 and name HB   )(resid  514 and name HN   )   5.00  3.10  0.80 !1 o/l 556a:557n
assign (resid  511 and name HN   )(resid  514 and name HB#  )   5.00  3.10  0.80 !1 o/l g-n511
assign (resid  511 and name HA   )(resid  513 and name HN   )   5.00  3.10  0.80 !1 o/l a-n595
assign (resid  511 and name HA   )(resid  513 and name HG2# )   5.00  3.10  0.80 !1 o/l a-n513
assign (resid  511 and name HB   )(resid  514 and name HB#  )   5.00  3.10  0.80 !1 o/l b-g511
assign (resid  511 and name HG2# )(resid  514 and name HN   )   5.00  3.10  0.80 !1 o/l b-n514
assign (resid  512 and name HA   )(resid  514 and name HN   )   4.00  2.10  0.70 !2
assign (resid  512 and name HD#  )(resid  514 and name HB#  )   5.00  3.10  0.80 !1 o/l a-b550
assign (resid  515 and name HG1# )(resid  517 and name HA   )   5.00  3.10  0.80 !1
assign (resid  515 and name HG1# )(resid  517 and name HG2# )   5.00  3.10  0.80 !1 o/l
assign (resid  517 and name HB   )(resid  519 and name HE#  )   2.70  0.80  0.40 !5
assign (resid  517 and name HG1# )(resid  519 and name HE#  )   2.40  0.50  0.30 !6
assign (resid  517 and name HG2# )(resid  519 and name HE#  )   4.00  2.10  0.70 !2
assign (resid  521 and name HD1# )(resid  523 and name HB#  )   3.00  1.10  0.50 !4
assign (resid  521 and name HD2# )(resid  523 and name HB#  )   2.40  0.50  0.30 !7
assign (resid  527 and name HA   )(resid  529 and name HN   )   3.50  1.60  0.60 !3
assign (resid  530 and name HB1  )(resid  532 and name HD#  )   2.40  0.50  0.30 !7 
assign (resid  530 and name HB2  )(resid  532 and name HD#  )   5.00  3.10  0.80 !1
assign (resid  530 and name HB2  )(resid  532 and name HN   )   5.00  3.10  0.80
assign (resid  530 and name HN   )(resid  532 and name HD#  )   4.00  2.10  0.70 !2
assign (resid  537 and name HD1# )(resid  539 and name HN   )   4.00  2.10  0.70 !2
assign (resid  537 and name HG1# )(resid  539 and name HN   )   4.00  2.10  0.70 !2
assign (resid  537 and name HN   )(resid  540 and name HD#  )   4.00  2.10  0.70 !2 lower due to o/l
assign (resid  537 and name HD1# )(resid  539 and name HB1  )   4.00  2.10  0.70 !2
assign (resid  538 and name HB#  )(resid  541 and name HN   )   3.50  1.60  0.60 !3
assign (resid  538 and name HB#  )(resid  542 and name HN   )   3.50  1.60  0.60 !3 o/l a-n538
assign (resid  540 and name HD#  )(resid  543 and name HZ2  )   5.00  3.10  0.80 !1 o/l 535n:540d
assign (resid  540 and name HB2  )(resid  543 and name HZ2  )   5.00  3.10  0.80 !1 o/l 535n:540b2 
assign (resid  540 and name HB1  )(resid  544 and name HN   )   4.00  2.10  0.70 !2
assign (resid  544 and name HB#  )(resid  547 and name HB2  )   4.00  2.10  0.70 !2 
assign (resid  544 and name HB#  )(resid  547 and name HB1  )   3.50  1.60  0.60 !3 
assign (resid  544 and name HB#  )(resid  547 and name HN   )   5.00  3.10  0.80 !1 o/l 583b:585n
assign (resid  544 and name HG#  )(resid  546 and name HN   )   3.50  1.60  0.60 !3
assign (resid  545 and name HA   )(resid  547 and name HN   )   3.50  1.60  0.60 !3
assign (resid  545 and name HA   )(resid  548 and name HN   )   3.50  1.60  0.60 !3
assign (resid  545 and name HA   )(resid  548 and name HA#  )   5.00  3.10  0.80 !1
assign (resid  545 and name HN   )(resid  548 and name HN   )   5.00  3.10  0.80 !1
assign (resid  552 and name HB2  )(resid  554 and name HN   )   4.00  2.10  0.70 !2
assign (resid  552 and name HB1  )(resid  554 and name HN   )   5.00  3.10  0.80 !1
assign (resid  552 and name HA   )(resid  554 and name HN   )   5.00  3.10  0.80 !1
assign (resid  553 and name HB#  )(resid  556 and name HB1  )   3.50  1.60  0.60 !3
assign (resid  553 and name HB#  )(resid  556 and name HB2  )   3.00  1.10  0.50 !4
assign (resid  553 and name HB#  )(resid  556 and name HD#  )   3.00  1.10  0.50 !4
assign (resid  553 and name HB#  )(resid  556 and name HE#  )   5.00  3.10  0.80 !1
assign (resid  557 and name HN   )(resid  561 and name HB#  )   4.00  2.10  0.70 !2
assign (resid  557 and name HN   )(resid  561 and name HA   )   2.40  0.50  0.30 !8
assign (resid  562 and name HD#  )(resid  564 and name HD#  )   3.00  1.10  0.50 !4
assign (resid  562 and name HD#  )(resid  564 and name HE#  )   5.00  3.10  0.80 !1
assign (resid  562 and name HB#  )(resid  564 and name HE#  )   3.50  1.60  0.60 !3
assign (resid  567 and name HG#  )(resid  569 and name HG   )   2.40  0.50  0.30 !6
assign (resid  567 and name HG#  )(resid  569 and name HD2# )   2.40  0.50  0.30 !8
assign (resid  573 and name HB#  )(resid  575 and name HD#  )   4.00  2.10  0.70 !2
assign (resid  573 and name HA   )(resid  575 and name HD#  )   4.00  2.10  0.70 !2
assign (resid  573 and name HB#  )(resid  575 and name HD#  )   3.50  1.60  0.60 !3
assign (resid  573 and name HG#  )(resid  575 and name HD#  )   4.00  2.10  0.70 !2 o/l g576:d577
assign (resid  582 and name HG2#  )(resid  586 and name HA   )   2.40  0.50  0.30 !8
assign (resid  582 and name HG2#  )(resid  586 and name HB1  )   4.00  2.10  0.70 !2
assign (resid  582 and name HG2#  )(resid  586 and name HB2  )   4.00  2.10  0.70 !2
assign (resid  582 and name HG2#  )(resid  586 and name HN   )   3.50  1.60  0.60 !3 o/l
assign (resid  583 and name HA   )(resid  585 and name HN   )   4.00  2.10  0.70 !2
assign (resid  583 and name HB1  )(resid  585 and name HN   )   3.00  1.10  0.50 !4 o/l 544b:547n
assign (resid  583 and name HG#  )(resid  585 and name HN   )   4.00  2.10  0.70 !2
assign (resid  583 and name HB1  )(resid  587 and name HN   )   3.50  1.60  0.60 !3
assign (resid  583 and name HN   )(resid  587 and name HN   )   4.00  2.10  0.70 !2
assign (resid  588 and name HB   )(resid  590 and name HE1  )   3.50  1.60  0.60 !3
assign (resid  588 and name HG1# )(resid  590 and name HE1  )   3.50  1.60  0.60 !3
assign (resid  588 and name HG2# )(resid  590 and name HE1  )   2.40  0.50  0.30 !7
assign (resid  588 and name HG1# )(resid  590 and name HD1  )   3.50  1.60  0.60 !3 
assign (resid  588 and name HG2# )(resid  590 and name HD1  )   2.40  0.50  0.30 !7
assign (resid  588 and name HG1# )(resid  590 and name HZ2  )   5.00  3.10  0.80 !1 o/l
assign (resid  588 and name HG2# )(resid  590 and name HZ2  )   3.50  1.60  0.60 !3
assign (resid  588 and name HB   )(resid  590 and name HD1  )   4.00  2.10  0.70 !2
assign (resid  593 and name HA   )(resid  595 and name HN   )   5.00  3.10  0.80 !1 
assign (resid  593 and name HB1  )(resid  595 and name HN   )   4.00  2.10  0.70 !2
assign (resid  593 and name HB2  )(resid  595 and name HN   )   5.00  3.10  0.80 !1
assign (resid  598 and name HD#  )(resid  600 and name HG2# )   2.40  0.50  0.30 !8
assign (resid  598 and name HE#  )(resid  601 and name HD#  )   3.00  1.10  0.50 !4
assign (resid  525 and name HG2# )(resid  527 and name HN   )   5.00  3.10  0.80 !1
assign (resid  536 and name HN   )(resid  540 and name HD#  )   3.50  1.60  0.60 !3
assign (resid  537 and name HB   )(resid  539 and name HN   )   5.00  3.10  0.80 !1
assign (resid  540 and name HN   )(resid  542 and name HN   )   4.00  2.10  0.70 !2
assign (resid  540 and name HB1  )(resid  543 and name HN   )   5.00  3.10  0.80
assign (resid  554 and name HN   )(resid  556 and name HN   )   5.00  3.10  0.80 !1
assign (resid  557 and name HN   )(resid  561 and name HB#  )   5.00  3.10  0.80 !1
assign (resid  561 and name HG#  )(resid  563 and name HD1  )   5.00  3.10  0.80 !1 o/l b534:e3543
assign (resid  563 and name HB2  )(resid  565 and name HN   )   5.00  3.10  0.80 !1 o/l
assign (resid  565 and name HG2# )(resid  567 and name HA   )   5.00  3.10  0.80 !1 o/l g565:a551
assign (resid  565 and name HG1# )(resid  567 and name HG#  )   5.00  3.10  0.80 !1 o/l g-g565
assign (resid  575 and name HB#  )(resid  577 and name HD#  )   5.00  3.10  0.80 !1 o/l b575:d577
assign (resid  575 and name HD#  )(resid  577 and name HE#  )   5.00  3.10  0.80 !1 o/l d-e577
assign (resid  580 and name HG2# )(resid  582 and name HG1# )   5.00  3.10  0.80 !1 o/l g-d582
assign (resid  582 and name HG#  )(resid  585 and name HN   )   5.00  3.10  0.80 !1 o/l 570b:571n
assign (resid  585 and name HN   )(resid  587 and name HN   )   3.50  1.80  0.50 !3
assign (resid  586 and name HA   )(resid  588 and name HB   )   5.00  3.10  0.80 !1 o/l a-b578
assign (resid  588 and name HB   )(resid  590 and name HD1  )   5.00  3.10  0.80 !1
assign (resid  588 and name HG2# )(resid  590 and name HN   )   5.00  3.10  0.80 !1 o/l 537g1:539n
assign (resid  591 and name HB1  )(resid  593 and name HA   )   5.00  3.10  0.80 !1 o/l a-b601
assign (resid  597 and name HG#  )(resid  599 and name HA   )   5.00  3.10  0.80 !1 o/l
assign (resid  601 and name HG#  )(resid  603 and name HA   )   5.00  3.10  0.80 !1 o/l
assign (resid  612 and name HA   )(resid  614 and name HN   )   5.00  3.10  0.80 !1 o/l 520n:612a
!class long ! 587
assign (resid  537 and name HD1# )(resid  575 and name HD#  )   5.00  3.10  0.80 !1 
assign (resid  537 and name HD1# )(resid  576 and name HN   )   5.00  3.10  0.80 !1 
assign (resid  539 and name HB1  )(resid  569 and name HA   )   5.00  3.10  0.80 !1 
assign (resid  551 and name HN   )(resid  565 and name HB   )   5.00  3.10  0.80 !1
assign (resid  551 and name HA   )(resid  565 and name HB   )   5.00  3.10  0.80 !1
assign (resid  551 and name HB1  )(resid  563 and name HB2  )   4.00  2.10  0.70 !2
assign (resid  551 and name HB2  )(resid  563 and name HB1  )   4.00  2.10  0.70 !2
assign (resid  551 and name HB2  )(resid  563 and name HZ3  )   5.00  3.10  0.80 !1 o/l n-b573
assign (resid  551 and name HB1  )(resid  564 and name HN   )   5.00  3.10  0.80 !1
assign (resid  551 and name HB2  )(resid  565 and name HB   )   5.00  3.10  0.80 !1 o/l b-g573
assign (resid  551 and name HG   )(resid  565 and name HG1# )   4.00  2.10  0.70 !2
assign (resid  551 and name HD2# )(resid  565 and name HN   )   5.00  3.10  0.80 !1 o/l 599g:600n
assign (resid  510 and name HN   )(resid  605 and name HN   )   5.00  3.10  0.80 !1
assign (resid  511 and name HG2# )(resid  570 and name HG#  )   4.00  2.10  0.70 !2 o/l
assign (resid  511 and name HB   )(resid  570 and name HB#  )   5.00  3.10  0.80 !1
assign (resid  514 and name HB#  )(resid  568 and name HG2# )   2.70  0.80  0.40 !5 o/l
assign (resid  514 and name HB#  )(resid  570 and name HB#  )   5.00  3.10  0.80 !1
assign (resid  514 and name HA   )(resid  570 and name HA   )   3.50  1.60  0.60 !3
assign (resid  514 and name HA   )(resid  571 and name HN   )   3.50  1.60  0.60 !3 both 571NH + lwr frm 4 to 3, o/l 522a:563d
assign (resid  515 and name HN   )(resid  570 and name HA   )   3.50  1.60  0.60 ! o !3
assign (resid  515 and name HG1# )(resid  600 and name HG2# )   5.00  3.10  0.80 !1 o/l
assign (resid  515 and name HG1# )(resid  600 and name HG1# )   5.00  3.10  0.80 !1 o/l
assign (resid  515 and name HG2# )(resid  600 and name HA   )   2.70  0.80  0.40 !5
assign (resid  515 and name HG1# )(resid  600 and name HA   )   4.00  2.10  0.70 !2
assign (resid  515 and name HA   )(resid  600 and name HG2# )   3.50  1.60  0.60 !3 o/l a601:g2600
assign (resid  515 and name HA   )(resid  600 and name HG1# )   3.00  1.10  0.50 !4
assign (resid  515 and name HG1# )(resid  601 and name HD#  )   4.00  2.10  0.70 !2
assign (resid  515 and name HG2# )(resid  607 and name HA   )   2.70  0.80  0.40 !5
assign (resid  515 and name HG1# )(resid  607 and name HA   )   3.50  1.60  0.60 !3
assign (resid  515 and name HA   )(resid  598 and name HE#  )   5.00  3.10  0.80 !1 o/l
assign (resid  515 and name HG1# )(resid  608 and name HA   )   2.70  0.80  0.40 !5
assign (resid  515 and name HG1# )(resid  608 and name HN   )   4.00  2.10  0.70 !2 o/l
assign (resid  515 and name HG1# )(resid  609 and name HN   )   3.00  1.10  0.50 !4
assign (resid  515 and name HB   )(resid  600 and name HG1# )   2.40  0.50  0.30 !6 
assign (resid  515 and name HN   )(resid  600 and name HG1# )   5.00  3.10  0.80 !1 o/l b-n523
assign (resid  515 and name HA   )(resid  601 and name HG#  )   5.00  3.10  0.80 !1
assign (resid  515 and name HB   )(resid  609 and name HB#  )   5.00  3.10  0.80 !1
assign (resid  515 and name HG1# )(resid  598 and name HE#  )   4.00  2.10  0.70 !2
assign (resid  515 and name HG1# )(resid  601 and name HG#  )   4.00  2.10  0.70 !2
assign (resid  515 and name HG2# )(resid  607 and name HB#  )   5.00  3.10  0.80 !1 o/l a-g515
assign (resid  515 and name HG1# )(resid  609 and name HB#  )   5.00  3.10  0.80 !1
assign (resid  515 and name HG2# )(resid  600 and name HB   )   5.00  3.10  0.80 !1
assign (resid  515 and name HG2# )(resid  598 and name HD#  )   5.00  3.10  0.80 !1 o/l 534g:543e3
assign (resid  515 and name HG2# )(resid  601 and name HG#  )   5.00  3.10  0.80 !1 o/l b-g534
assign (resid  516 and name HA   )(resid  566 and name HG2# )   5.00  3.10  0.80 !1 o/l a-b523
assign (resid  516 and name HA   )(resid  568 and name HG2# )   5.00  3.10  0.80 !1 o/l a-b609
assign (resid  516 and name HA   )(resid  568 and name HA   )   3.50  1.60  0.60 !3
assign (resid  516 and name HA   )(resid  569 and name HN   )   3.00  1.10  0.50 !4 
assign (resid  516 and name HB#  )(resid  609 and name HN   )   5.00  3.10  0.80 !1
assign (resid  516 and name HB#  )(resid  566 and name HB   )   4.00  2.10  0.70 !2
assign (resid  516 and name HN   )(resid  608 and name HA   )   3.00  1.10  0.50 !4
assign (resid  516 and name HB#  )(resid  566 and name HG2# )   2.40  0.50  0.30 !8
assign (resid  516 and name HB#  )(resid  608 and name HA   )   3.50  1.60  0.60 !3
assign (resid  517 and name HA   )(resid  609 and name HN   )   2.70  0.80  0.40 !5 
assign (resid  517 and name HG2# )(resid  609 and name HN   )   4.00  2.10  0.70 !2
assign (resid  517 and name HG1# )(resid  609 and name HN   )   5.00  3.10  0.80 !1
assign (resid  517 and name HG1# )(resid  569 and name HB1  )   5.00  3.10  0.80 !1
assign (resid  517 and name HG1# )(resid  609 and name HB#  )   2.40  0.50  0.30 !6 or 517:600
assign (resid  517 and name HN   )(resid  567 and name HN   )   4.00  2.10  0.70 !2
assign (resid  517 and name HN   )(resid  568 and name HA   )   2.70  0.80  0.40 !5
assign (resid  517 and name HN   )(resid  569 and name HN   )   4.00  2.10  0.70 !2
assign (resid  517 and name HA   )(resid  609 and name HB#  )   5.00  3.10  0.80 !1
assign (resid  517 and name HB   )(resid  567 and name HN   )   5.00  3.10  0.80 !1
assign (resid  517 and name HB   )(resid  567 and name HB   )   5.00  3.10  0.80 !1 o/l b-b589
assign (resid  517 and name HG2# )(resid  598 and name HE#  )   2.40  0.50  0.30 !8
assign (resid  517 and name HG2# )(resid  610 and name HN   )   5.00  3.10  0.80 !1
assign (resid  517 and name HG2# )(resid  611 and name HN   )   5.00  3.10  0.80 !1
assign (resid  517 and name HG1# )(resid  598 and name HE#  )   2.40  0.50  0.30 !6
assign (resid  517 and name HG2# )(resid  598 and name HD#  )   3.00  1.10  0.50 !4
assign (resid  517 and name HG1# )(resid  598 and name HD#  )   3.00  1.10  0.50 !4
assign (resid  517 and name HG2# )(resid  611 and name HG2# )   3.00  1.10  0.50 !4
assign (resid  517 and name HG1# )(resid  611 and name HG1# )   5.00  3.10  0.80 !1
assign (resid  517 and name HB   )(resid  569 and name HD1# )   3.50  1.60  0.60 !3
assign (resid  517 and name HG2# )(resid  569 and name HD1# )   5.00  3.10  0.80 !1
assign (resid  518 and name HB   )(resid  564 and name HB#  )   5.00  3.10  0.80 !1
assign (resid  518 and name HG2# )(resid  564 and name HE#  )   5.00  3.10  0.80 !1
assign (resid  518 and name HA   )(resid  566 and name HA   )   2.40  0.50  0.30 !6
assign (resid  518 and name HA   )(resid  566 and name HG2# )   4.00  2.10  0.70 !2
assign (resid  518 and name HA   )(resid  567 and name HN   )   3.50  1.60  0.60 !3
assign (resid  518 and name HN   )(resid  610 and name HA   )   3.50  1.60  0.60 !3 o
assign (resid  518 and name HG2# )(resid  565 and name HA   )   5.00  3.10  0.80 !1
assign (resid  518 and name HG2# )(resid  564 and name HE#  )   2.70  0.80  0.40 !5
assign (resid  518 and name HG2# )(resid  564 and name HA   )   5.00  3.10  0.80 !1
assign (resid  518 and name HG2# )(resid  564 and name HB#  )   5.00  3.10  0.80 !1 o/l g580:b579
assign (resid  518 and name HN   )(resid  609 and name HN   )   4.00  2.10  0.70 !2
assign (resid  518 and name HN   )(resid  609 and name HB#  )   5.00  3.10  0.80 !1
assign (resid  518 and name HN   )(resid  610 and name HG2# )   5.00  3.10  0.80 !1
assign (resid  518 and name HB   )(resid  610 and name HA   )   5.00  3.10  0.80 !1 o/l a563:b584
assign (resid  518 and name HB   )(resid  611 and name HN   )   5.00  3.10  0.80 !1
assign (resid  519 and name HD#  )(resid  533 and name HG   )   5.00  3.10  0.80 !1
assign (resid  519 and name HD#  )(resid  567 and name HN   )   4.00  2.10  0.70 !2
assign (resid  519 and name HE#  )(resid  567 and name HN   )   4.00  2.10  0.70 !2
assign (resid  519 and name HE#  )(resid  569 and name HD2# )   5.00  3.10  0.80 !1
assign (resid  519 and name HE#  )(resid  549 and name HG2# )   5.00  3.10  0.80 !1 o/l 519e:567g
assign (resid  519 and name HE#  )(resid  551 and name HD2# )   5.00  3.10  0.80 !1 o/l 519e:569d
assign (resid  519 and name HA   )(resid  611 and name HN   )   4.00  2.10  0.70 !2 
assign (resid  519 and name HN   )(resid  564 and name HA   )   4.00  2.10  0.70 !2
assign (resid  519 and name HN   )(resid  565 and name HN   )   3.00  1.10  0.50 !4
assign (resid  519 and name HN   )(resid  565 and name HG2# )   3.50  1.60  0.60 !3 o/l 521n:562d
assign (resid  519 and name HN   )(resid  566 and name HA   )   3.00  1.10  0.50 !4
assign (resid  519 and name HN   )(resid  567 and name HN   )   4.00  2.10  0.70 !2
assign (resid  519 and name HE#  )(resid  533 and name HD2# )   2.70  0.80  0.40 !5
assign (resid  519 and name HE#  )(resid  533 and name HD1# )   3.50  1.60  0.60 !3
assign (resid  519 and name HE#  )(resid  569 and name HD1# )   2.70  0.80  0.40 !5 lower from 6 to 5 since o/l 519e:551d
assign (resid  519 and name HZ   )(resid  569 and name HD1# )   2.40  0.50  0.30 !6
assign (resid  519 and name HE#  )(resid  611 and name HG1# )   3.50  1.60  0.60 !3
assign (resid  519 and name HE#  )(resid  611 and name HG2# )   3.00  1.10  0.50 !4
assign (resid  519 and name HD#  )(resid  611 and name HG1# )   2.40  0.50  0.30 !6
assign (resid  519 and name HD#  )(resid  611 and name HG2# )   3.50  1.60  0.60 !3
assign (resid  519 and name HD#  )(resid  533 and name HD1# )   3.50  1.60  0.60 !3
assign (resid  519 and name HD#  )(resid  533 and name HD2# )   2.70  0.80  0.40 !5
assign (resid  519 and name HE#  )(resid  567 and name HG#  )   2.70  0.80  0.40 !5 lower from 6 to 5 since o/l 519e:549g
assign (resid  519 and name HE#  )(resid  567 and name HB   )   2.70  0.80  0.40 !5
assign (resid  519 and name HZ   )(resid  533 and name HD2# )   4.00  2.10  0.70 !2
assign (resid  519 and name HZ   )(resid  567 and name HG#  )   5.00  3.10  0.80 !1 o/l 537nh-g
assign (resid  519 and name HZ   )(resid  569 and name HD2# )   5.00  3.10  0.80 !1 o/l 537nh-g
assign (resid  519 and name HD#  )(resid  565 and name HG2# )   3.00  1.10  0.50 !4
assign (resid  519 and name HD#  )(resid  567 and name HG#  )   2.70  0.80  0.40 !5
assign (resid  519 and name HD#  )(resid  611 and name HB   )   2.70  0.80  0.40 !5
assign (resid  519 and name HA   )(resid  611 and name HB   )   3.00  1.10  0.50 !4
assign (resid  519 and name HA   )(resid  611 and name HG2# )   5.00  3.10  0.80 !1 o/l
assign (resid  520 and name HA   )(resid  563 and name HB1  )   5.00  3.10  0.80 !1 o/l 520a-b
assign (resid  520 and name HA   )(resid  564 and name HA   )   2.70  0.80  0.40 !5 
assign (resid  520 and name HB1  )(resid  612 and name HA   )   5.00  3.10  0.80 !1 reduced from 2 levels
assign (resid  520 and name HB2  )(resid  612 and name HA   )   3.50  1.60  0.60 !3
assign (resid  520 and name HA   )(resid  613 and name HN   )   5.00  3.10  0.80 !1 o/l 613n-a
assign (resid  520 and name HA   )(resid  565 and name HN   )   5.00  3.10  0.80 !1
assign (resid  520 and name HB2  )(resid  563 and name HN   )   4.00  2.10  0.70 !2
assign (resid  520 and name HB1  )(resid  564 and name HD#  )   4.00  2.10  0.70 !2
assign (resid  520 and name HB1  )(resid  564 and name HE#  )   3.50  1.60  0.60 !3
assign (resid  520 and name HB1  )(resid  562 and name HD#  )   3.50  1.60  0.60 !3
assign (resid  520 and name HB1  )(resid  562 and name HD#  )   2.40  0.50  0.30 !6
assign (resid  520 and name HB2  )(resid  562 and name HD#  )   3.00  1.10  0.50 !4
assign (resid  520 and name HN   )(resid  611 and name HB   )   5.00  3.10  0.80 !1
assign (resid  520 and name HN   )(resid  612 and name HA   )   3.50  1.60  0.60 ! o !3
assign (resid  520 and name HA   )(resid  564 and name HB#  )   4.00  2.10  0.70 !2
assign (resid  520 and name HA   )(resid  562 and name HD2# )   3.00  1.10  0.50 !4
assign (resid  520 and name HA   )(resid  563 and name HN   )   5.00  3.10  0.80 !1 o/l 521n:520a
assign (resid  520 and name HB2  )(resid  612 and name HG2# )   3.00  1.10  0.50 !3
assign (resid  520 and name HB1  )(resid  612 and name HG2# )   5.00  3.10  0.80 !1
assign (resid  520 and name HB2  )(resid  610 and name HG2# )   5.00  3.10  0.80 !1
assign (resid  521 and name HN   )(resid  562 and name HD#  )   5.00  3.10  0.80 !1 o/l 519n:565g
assign (resid  521 and name HN   )(resid  563 and name HB2  )   5.00  3.10  0.80 !1
assign (resid  521 and name HN   )(resid  564 and name HB#  )   4.00  2.10  0.70 !2
assign (resid  521 and name HA   )(resid  563 and name HB2  )   5.00  3.10  0.80 !1 o/l 563a-b
assign (resid  521 and name HB1  )(resid  551 and name HD2# )   5.00  3.10  0.80 !1 o/l 569g-d
assign (resid  521 and name HB1  )(resid  563 and name HB1  )   5.00  3.10  0.80 !1
assign (resid  521 and name HD2# )(resid  563 and name HD1  )   3.50  1.60  0.60 !3
assign (resid  521 and name HD1# )(resid  613 and name HA   )   5.00  3.10  0.80 !1
assign (resid  521 and name HD2# )(resid  563 and name HH2  )   5.00  3.10  0.80 !1
assign (resid  521 and name HN   )(resid  564 and name HA   )   4.00  2.10  0.70 !2 o/l
assign (resid  521 and name HD2# )(resid  579 and name HB2  )   4.00  2.10  0.70 !2
assign (resid  521 and name HD2# )(resid  613 and name HB#  )   3.50  1.60  0.60 !3
assign (resid  521 and name HD1# )(resid  613 and name HB#  )   2.40  0.50  0.30 !7
assign (resid  521 and name HD1# )(resid  613 and name HN   )   5.00  3.10  0.80 !1
assign (resid  521 and name HA   )(resid  613 and name HB#  )   5.00  3.10  0.80 !1
assign (resid  521 and name HD1# )(resid  615 and name HE3  )   3.00  1.10  0.50 !4
assign (resid  521 and name HD2# )(resid  615 and name HE3  )   2.40  0.50  0.30 !7
assign (resid  521 and name HD1# )(resid  615 and name HN   )   2.40  0.50  0.30 !6 
assign (resid  521 and name HD2# )(resid  615 and name HN   )   5.00  3.10  0.80 !1
assign (resid  521 and name HD1# )(resid  615 and name HA   )   2.70  0.80  0.40 !5
assign (resid  521 and name HD2# )(resid  615 and name HA   )   4.00  2.10  0.70 !2
assign (resid  521 and name HD1# )(resid  615 and name HB1  )   3.00  1.10  0.50 !4
assign (resid  521 and name HD1# )(resid  615 and name HB2  )   3.50  1.60  0.60 !3
assign (resid  521 and name HD1# )(resid  614 and name HG2# )   5.00  3.10  0.80 !1
assign (resid  521 and name HD1# )(resid  614 and name HA   )   2.70  0.80  0.40 !5
assign (resid  521 and name HD2# )(resid  614 and name HA   )   5.00  3.10  0.80 !1
assign (resid  521 and name HG   )(resid  614 and name HG2# )   3.50  1.60  0.60 !3
assign (resid  521 and name HB1  )(resid  616 and name HN   )   5.00  3.10  0.80 !1
assign (resid  521 and name HD1# )(resid  616 and name HN   )   5.00  3.10  0.80 !1
assign (resid  521 and name HD2# )(resid  531 and name HD1# )   2.40  0.50  0.30 !7
assign (resid  521 and name HD2# )(resid  551 and name HD#  )   3.00  1.10  0.50 !4
assign (resid  522 and name HN   )(resid  614 and name HA   )   5.00  3.10  0.80 !1 o/l
assign (resid  522 and name HB#  )(resid  614 and name HG2# )   3.50  1.60  0.60 !3
assign (resid  522 and name HN   )(resid  615 and name HN   )   5.00  3.10  0.80 !1
assign (resid  522 and name HG2# )(resid  561 and name HD#  )   4.00  2.10  0.70 !2
assign (resid  522 and name HG2# )(resid  561 and name HB#  )   3.50  1.60  0.60 !3
assign (resid  522 and name HG2# )(resid  561 and name HG#  )   3.00  1.10  0.50 !4 o/l 524g:561g
assign (resid  522 and name HN   )(resid  614 and name HG2# )   5.00  3.10  0.80 !1
assign (resid  522 and name HA   )(resid  561 and name HG#  )   5.00  3.10  0.80 !1
assign (resid  522 and name HA   )(resid  563 and name HD1  )   5.00  3.10  0.80 !1 o/l 571n:514a
assign (resid  522 and name HB   )(resid  614 and name HA   )   4.00  2.10  0.70 !2
assign (resid  522 and name HG2# )(resid  616 and name HB1  )   5.00  3.10  0.80 !1
assign (resid  523 and name HN   )(resid  561 and name HB#  )   3.50  1.60  0.60 !3
assign (resid  523 and name HA   )(resid  561 and name HB#  )   5.00  3.10  0.80 !1
assign (resid  523 and name HA   )(resid  615 and name HN   )   5.00  3.10  0.80 !1 o/l 615a-n
assign (resid  523 and name HA   )(resid  615 and name HB2  )   5.00  3.10  0.80 !1
assign (resid  523 and name HA   )(resid  615 and name HB1  )   5.00  3.10  0.80 !1 o/l 615a-b
assign (resid  523 and name HA   )(resid  616 and name HN   )   3.00  1.10  0.50 !4 o/l 615a:616n
assign (resid  523 and name HB#  )(resid  563 and name HD1  )   2.70  0.80  0.40 !5 o/l n571:g1600
assign (resid  523 and name HB#  )(resid  615 and name HB2  )   3.50  1.10  0.50 !4 o/l
assign (resid  523 and name HB#  )(resid  615 and name HB1  )   2.40  0.50  0.30 !6
assign (resid  523 and name HB#  )(resid  563 and name HE1  )   4.00  2.10  0.70 !2
assign (resid  523 and name HB#  )(resid  615 and name HD1  )   3.50  1.60  0.60 !3 reduce from 4 to 3,since o/l 523b:556e
assign (resid  523 and name HB#  )(resid  615 and name HE3  )   4.00  2.10  0.70 !2
assign (resid  523 and name HB#  )(resid  615 and name HN   )   3.00  1.10  0.50 !4
assign (resid  523 and name HB#  )(resid  556 and name HE#  )   5.00  3.10  0.80 !1  o/l 523b:615d1
assign (resid  523 and name HB#  )(resid  561 and name HG#  )   5.00  3.10  0.80 !1
assign (resid  523 and name HN   )(resid  563 and name HD1  )   3.00  1.10  0.50 !4 o/l
assign (resid  524 and name HA   )(resid  561 and name HB#  )   3.00  1.10  0.50 !4
assign (resid  524 and name HA   )(resid  561 and name HG#  )   3.50  1.60  0.60 !3
assign (resid  524 and name HA   )(resid  561 and name HA   )   4.00  2.10  0.70 !2
assign (resid  524 and name HA   )(resid  556 and name HD#  )   3.00  1.10  0.50 !2
assign (resid  524 and name HA   )(resid  556 and name HE#  )   2.40  0.50  0.30 !6
assign (resid  524 and name HB#  )(resid  556 and name HE#  )   3.00  1.10  0.50 !4
assign (resid  524 and name HG2# )(resid  556 and name HE#  )   3.50  1.60  0.60 !3
assign (resid  524 and name HG2# )(resid  561 and name HG#  )   3.00  1.10  0.50 !4 o/l g522:g561
assign (resid  525 and name HN   )(resid  556 and name HE#  )   2.70  0.80  0.40 !5
assign (resid  525 and name HN   )(resid  561 and name HB#  )   5.00  3.10  0.80 !1
assign (resid  525 and name HB   )(resid  561 and name HB#  )   5.00  3.10  0.80 !1
assign (resid  529 and name HB#  )(resid  583 and name HA   )   3.00  1.10  0.50 !4
assign (resid  529 and name HB#  )(resid  583 and name HG#  )   5.00  3.10  0.80 !1
assign (resid  530 and name HA   )(resid  556 and name HE#  )   5.00  3.10  0.80 !1
assign (resid  530 and name HA   )(resid  563 and name HH2  )   2.70  0.80  0.40 !5   
assign (resid  530 and name HA   )(resid  563 and name HZ2  )   2.70  0.80  0.40 !5 
assign (resid  530 and name HA   )(resid  563 and name HZ3  )   3.50  1.60  0.60 !3 o/l
assign (resid  530 and name HN   )(resid  582 and name HN   )   3.00  1.10  0.50 !4
assign (resid  530 and name HN   )(resid  582 and name HB   )   4.00  2.10  0.70 !2
assign (resid  530 and name HB2  )(resid  550 and name HB#  )   5.00  3.10  0.80 !1
assign (resid  530 and name HB1  )(resid  582 and name HB   )   5.00  3.10  0.80 !1
assign (resid  530 and name HD#  )(resid  550 and name HB#  )   5.00  3.10  0.80 !1
assign (resid  531 and name HA   )(resid  580 and name HN   )   5.00  3.10  0.80 !1 was 4 contours
assign (resid  531 and name HA   )(resid  582 and name HN   )   4.00  2.10  0.70 !2
assign (resid  531 and name HB   )(resid  551 and name HB1  )   5.00  3.10  0.80 !1
assign (resid  531 and name HB   )(resid  551 and name HB2  )   5.00  3.10  0.80 !1
assign (resid  531 and name HB   )(resid  551 and name HG   )   5.00  3.10  0.80 !1
assign (resid  531 and name HB   )(resid  563 and name HZ3  )   5.00  3.10  0.80 !1
assign (resid  531 and name HG1# )(resid  580 and name HN   )   5.00  3.10  0.80 !1
assign (resid  531 and name HG1# )(resid  581 and name HB#  )   5.00  3.10  0.80 !1
assign (resid  531 and name HG2# )(resid  551 and name HB#  )   5.00  3.10  0.80 !1
assign (resid  531 and name HG2# )(resid  563 and name HH2  )   5.00  3.10  0.80 !1
assign (resid  531 and name HG2# )(resid  579 and name HB2  )   5.00  3.10  0.80 !1 replace 562d:564b
assign (resid  531 and name HG2# )(resid  580 and name HN   )   5.00  3.10  0.80 !1
assign (resid  531 and name HG2# )(resid  580 and name HG1# )   5.00  3.10  0.80 !1
assign (resid  531 and name HD1# )(resid  563 and name HD1  )   3.50  1.60  0.60 !3
assign (resid  531 and name HD1# )(resid  563 and name HE1  )   3.50  1.60  0.60 !3 
assign (resid  531 and name HD1# )(resid  563 and name HH2  )   4.00  2.10  0.70 !2
assign (resid  531 and name HD1# )(resid  563 and name HZ2  )   5.00  3.10  0.80 !1
assign (resid  531 and name HB   )(resid  563 and name HE3  )   3.50  1.60  0.60 !3
assign (resid  531 and name HD1# )(resid  563 and name HZ3  )   4.00  2.10  0.70 !2
assign (resid  531 and name HG2# )(resid  579 and name HD#  )   3.50  1.60  0.60 !3
assign (resid  531 and name HG2# )(resid  579 and name HB1  )   4.00  2.10  0.70 !2
assign (resid  531 and name HN   )(resid  563 and name HH2  )   3.00  1.10  0.50 !4
assign (resid  531 and name HN   )(resid  563 and name HE3  )   4.00  2.10  0.70 !2 o/l
assign (resid  531 and name HN   )(resid  563 and name HZ2  )   4.00  2.10  0.70 !2
assign (resid  531 and name HN   )(resid  563 and name HZ3  )   2.70  0.80  0.40 !5 
assign (resid  531 and name HG2# )(resid  551 and name HD1# )   2.40  0.50  0.30 !7
assign (resid  531 and name HG2# )(resid  615 and name HE3  )   3.50  1.60  0.60 !3
assign (resid  531 and name HD1# )(resid  615 and name HE3  )   3.00  1.10  0.50 !4
assign (resid  531 and name HD1# )(resid  551 and name HD1# )   4.00  2.10  0.70 !2
assign (resid  531 and name HD1# )(resid  551 and name HD2# )   4.00  2.10  0.70 !2
assign (resid  531 and name HD1# )(resid  581 and name HA   )   5.00  3.10  0.80 !1 
assign (resid  531 and name HD1# )(resid  615 and name HZ3  )   5.00  3.10  0.80 !1 replace 579d:531d??
assign (resid  532 and name HD#  )(resid  549 and name HA   )   2.70  0.80  0.40 !5
assign (resid  532 and name HD#  )(resid  550 and name HA   )   2.40  0.50  0.30 !8
assign (resid  532 and name HD#  )(resid  550 and name HB#  )   2.40  0.50  0.30 !10
assign (resid  532 and name HD#  )(resid  551 and name HD1# )   4.00  2.10  0.70 !2
assign (resid  532 and name HD#  )(resid  582 and name HB   )   2.40  0.50  0.30 !8
assign (resid  532 and name HD#  )(resid  582 and name HG2# )   2.70  0.80  0.40 !5 o/l
assign (resid  532 and name HD#  )(resid  582 and name HD1# )   2.40  0.50  0.30 !9
assign (resid  532 and name HD#  )(resid  580 and name HG1# )   3.50  1.60  0.60 !3
assign (resid  532 and name HA   )(resid  550 and name HB#  )   4.00  2.10  0.70 !2
assign (resid  532 and name HA   )(resid  551 and name HD1# )   5.00  3.10  0.80 !5
assign (resid  532 and name HA   )(resid  550 and name HA   )   2.40  0.50  0.30 !6
assign (resid  532 and name HD#  )(resid  551 and name HN   )   3.00  1.10  0.50 !4
assign (resid  532 and name HA   )(resid  551 and name HN   )   3.50  1.60  0.60 !3
assign (resid  532 and name HD#  )(resid  550 and name HN   )   2.40  0.50  0.30 !6 
assign (resid  532 and name HA   )(resid  580 and name HD1# )   5.00  3.10  0.80 !1
assign (resid  532 and name HB2  )(resid  580 and name HD1# )   3.50  1.60  0.60 !3
assign (resid  532 and name HB1  )(resid  580 and name HD1# )   3.00  1.10  0.50 !4
assign (resid  532 and name HB1  )(resid  580 and name HG1# )   4.00  2.10  0.70 !2
assign (resid  532 and name HB2  )(resid  580 and name HG1# )   4.00  2.10  0.70 !2
assign (resid  532 and name HD#  )(resid  582 and name HN   )   3.00  1.10  0.50 !4
assign (resid  532 and name HN   )(resid  551 and name HD2# )   5.00  3.10  0.80 !1
assign (resid  532 and name HN   )(resid  580 and name HG1# )   5.00  3.10  0.80 !1
assign (resid  532 and name HN   )(resid  580 and name HD1# )   5.00  3.10  0.80 !1
assign (resid  532 and name HN   )(resid  581 and name HA   )   5.00  3.10  0.80 !1
assign (resid  532 and name HA   )(resid  551 and name HB1  )   5.00  3.10  0.80 !1
assign (resid  532 and name HB2  )(resid  582 and name HB   )   5.00  3.10  0.80 !1
assign (resid  532 and name HD#  )(resid  549 and name HN   )   5.00  3.10  0.80 !1
assign (resid  532 and name HD#  )(resid  580 and name HD1# )   5.00  3.10  0.80 !1
assign (resid  533 and name HN   )(resid  551 and name HD1# )   2.70  0.80  0.40 !5
assign (resid  533 and name HN   )(resid  549 and name HB   )   3.50  1.60  0.60 !3
assign (resid  533 and name HN   )(resid  549 and name HG2# )   5.00  3.10  0.80 !1
assign (resid  533 and name HN   )(resid  550 and name HA   )   4.00  2.10  0.70 !2
assign (resid  533 and name HN   )(resid  549 and name HN   )   3.50  1.60  0.60 !3
assign (resid  533 and name HN   )(resid  551 and name HN   )   5.00  3.10  0.80 !1
assign (resid  533 and name HA   )(resid  579 and name HA   )   5.00  3.10  0.80 !1
assign (resid  533 and name HD1# )(resid  579 and name HA   )   4.00  2.10  0.70 !2
assign (resid  533 and name HD2# )(resid  540 and name HD#  )   3.50  1.60  0.60 !3
assign (resid  533 and name HD1# )(resid  540 and name HD#  )   3.00  1.10  0.50 !4
assign (resid  533 and name HD1# )(resid  549 and name HB   )   5.00  3.10  0.80 !1
assign (resid  533 and name HD2# )(resid  549 and name HB   )   3.50  1.60  0.60 !3
assign (resid  533 and name HD1# )(resid  551 and name HD1# )   3.50  1.60  0.60 !3
assign (resid  533 and name HD2# )(resid  551 and name HD1# )   3.00  1.10  0.50 !4
assign (resid  533 and name HB2  )(resid  551 and name HD1# )   2.70  0.80  0.40 !5
assign (resid  533 and name HB2  )(resid  578 and name HN   )   5.00  3.10  0.80 !1
assign (resid  533 and name HG   )(resid  577 and name HB#  )   5.00  3.10  0.80 !1
assign (resid  533 and name HD1# )(resid  577 and name HD#  )   2.70  0.80  0.40 !5
assign (resid  533 and name HD2# )(resid  577 and name HD#  )   5.00  3.10  0.80 !1
assign (resid  533 and name HD1# )(resid  577 and name HA   )   4.00  2.10  0.70 !2
assign (resid  533 and name HD1# )(resid  577 and name HB#  )   3.00  1.10  0.50 !4
assign (resid  534 and name HG2# )(resid  590 and name HH2  )   2.70  0.80  0.40 !maybe 599:572 !5
assign (resid  534 and name HG1# )(resid  590 and name HH2  )   2.40  0.50  0.30 !maybe 588:590 !6
assign (resid  534 and name HG2# )(resid  590 and name HZ3  )   5.00  3.10  0.80 !1
assign (resid  534 and name HG1# )(resid  543 and name HZ3  )   2.40  0.50  0.30 !7
assign (resid  534 and name HG2# )(resid  543 and name HZ3  )   3.50  1.60  0.60 !3
assign (resid  534 and name HG2# )(resid  580 and name HD1# )   5.00  3.10  0.80 !1
assign (resid  534 and name HG1# )(resid  580 and name HD1# )   5.00  3.10  0.80 !1
assign (resid  534 and name HG1# )(resid  590 and name HH2  )   2.40  0.50  0.30 !6
assign (resid  534 and name HG2# )(resid  590 and name HH2  )   2.70  0.80  0.40 !5
assign (resid  534 and name HG2# )(resid  590 and name HE3  )   5.00  3.10  0.80 !1
assign (resid  534 and name HG2# )(resid  580 and name HG2# )   5.00  3.10  0.80 !1
assign (resid  534 and name HG1# )(resid  580 and name HG2# )   5.00  3.10  0.80 !1 o/l 580g:588g
assign (resid  534 and name HN   )(resid  578 and name HN   )   3.50  1.60  0.60 !3
assign (resid  534 and name HN   )(resid  579 and name HA   )   4.00  2.10  0.70 !2
assign (resid  534 and name HA   )(resid  540 and name HB2  )   5.00  3.10  0.80 !1
assign (resid  534 and name HA   )(resid  548 and name HA#  )   5.00  3.10  0.80 !1
assign (resid  534 and name HB   )(resid  543 and name HN   )   5.00  3.10  0.80 !1 o/l 571n:570b
assign (resid  534 and name HB   )(resid  543 and name HE3  )   5.00  3.10  0.80 !1 o/l 571n:570b
assign (resid  534 and name HB   )(resid  543 and name HZ3  )   5.00  3.10  0.80 !1
assign (resid  534 and name HG1# )(resid  543 and name HA   )   2.70  0.80  0.40 !5
assign (resid  534 and name HG2# )(resid  543 and name HA   )   3.00  1.10  0.50 !4    
assign (resid  534 and name HG2# )(resid  543 and name HN   )   3.50  1.60  0.60 !3
assign (resid  534 and name HG1# )(resid  543 and name HN   )   4.00  2.10  0.70 !2 o/l 540b1:543n
assign (resid  534 and name HG2# )(resid  543 and name HE3  )   2.40  0.50  0.30 !7
assign (resid  534 and name HG1# )(resid  543 and name HE3  )   3.50  1.60  0.60 !3 o/l 515g2:598d
assign (resid  534 and name HB   )(resid  543 and name HA   )   3.50  1.60  0.60 !3
assign (resid  534 and name HB   )(resid  580 and name HG2# )   3.50  1.60  0.60 !3
assign (resid  534 and name HB   )(resid  590 and name HH2  )   4.00  2.10  0.70 !2
assign (resid  534 and name HG1# )(resid  545 and name HA   )   2.40  0.50  0.30 !8
assign (resid  534 and name HG2# )(resid  545 and name HA   )   2.70  0.80  0.40 !5
assign (resid  534 and name HG1# )(resid  545 and name HG2# )   4.00  2.10  0.70 !2
assign (resid  534 and name HG2# )(resid  545 and name HG2# )   4.00  2.10  0.70 !2
assign (resid  534 and name HG1# )(resid  548 and name HA#  )   3.00  1.10  0.50 !4  
assign (resid  535 and name HA#  )(resid  540 and name HD#  )   4.00  2.10  0.70 !2
assign (resid  535 and name HA#  )(resid  543 and name HH2  )   3.50  1.60  0.60 !3 or 577:543
assign (resid  535 and name HA#  )(resid  543 and name HZ3  )   4.00  2.10  0.70 !2
assign (resid  535 and name HA#  )(resid  577 and name HD#  )   5.00  3.10  0.80 !1
assign (resid  535 and name HA#  )(resid  577 and name HA   )   3.50  1.60  0.60 !3
assign (resid  535 and name HA#  )(resid  578 and name HN   )   5.00  3.10  0.80 !1 
assign (resid  535 and name HA#  )(resid  543 and name HH2  )   5.00  3.10  0.80 !1 o/l 543h2:577b
assign (resid  535 and name HN   )(resid  543 and name HN   )   4.00  2.10  0.70 !2
assign (resid  535 and name HN   )(resid  543 and name HN   )   4.00  2.10  0.70 !2
assign (resid  535 and name HN   )(resid  540 and name HB2  )   3.50  1.60  0.60 !3 o/l 540b:543z2
assign (resid  535 and name HN   )(resid  540 and name HB1  )   5.00  3.10  0.80 !1
assign (resid  535 and name HN   )(resid  540 and name HD#  )   5.00  3.10  0.80 !1 o/l 540d:543z2
assign (resid  536 and name HN   )(resid  543 and name HZ2  )   3.50  1.60  0.60 !3     
assign (resid  536 and name HN   )(resid  575 and name HB#  )   5.00  3.10  0.80 !1 o/l
assign (resid  536 and name HN   )(resid  576 and name HN   )   3.50  1.60  0.60 !3 o
assign (resid  536 and name HN   )(resid  577 and name HA   )   3.50  1.60  0.60 !3 o
assign (resid  536 and name HN   )(resid  577 and name HA   )   3.50  1.60  0.60 !3 o
assign (resid  536 and name HA   )(resid  543 and name HZ2  )   2.40  0.50  0.30 !6
assign (resid  536 and name HA   )(resid  543 and name HH2  )   3.50  1.60  0.60 !3  
assign (resid  536 and name HA   )(resid  576 and name HB#  )   5.00  3.10  0.80 !1
assign (resid  537 and name HG2# )(resid  576 and name HN   )   4.00  2.10  0.70 !2
assign (resid  537 and name HD1# )(resid  575 and name HD#  )   2.40  0.50  0.30 !7
assign (resid  537 and name HG2# )(resid  575 and name HB#  )   2.70  0.80  0.40 !5 o/l
assign (resid  537 and name HD1# )(resid  575 and name HB#  )   3.00  1.10  0.50 !4 
assign (resid  537 and name HN   )(resid  542 and name HN   )   3.50  1.60  0.60 !3
assign (resid  537 and name HD1# )(resid  573 and name HG#  )   4.00  2.10  0.70 !2
assign (resid  537 and name HD1# )(resid  575 and name HB#  )   3.00  1.10  0.50 !4
assign (resid  537 and name HG2# )(resid  575 and name HD#  )   3.00  1.10  0.50 !4 o/l d575:g1600
assign (resid  539 and name HA   )(resid  569 and name HD2# )   4.00  2.10  0.70 !2
assign (resid  539 and name HB2  )(resid  569 and name HD2# )   3.00  1.10  0.50 !4
assign (resid  539 and name HB1  )(resid  570 and name HD#  )   4.00  2.10  0.70 !2
assign (resid  539 and name HG#  )(resid  569 and name HD2# )   4.00  2.10  0.70 !2   
assign (resid  539 and name HE2#  )(resid  570 and name HD#  )   4.00  2.10  0.70 !2
assign (resid  540 and name HA   )(resid  549 and name HD1# )   5.00  3.10  0.80 !1 o/l a-g540
assign (resid  540 and name HD#  )(resid  549 and name HB   )   4.00  2.10  0.70 !2
assign (resid  540 and name HD#  )(resid  569 and name HD2# )   3.00  1.10  0.50 !4 o
assign (resid  540 and name HD#  )(resid  577 and name HD#  )   2.40  0.50  0.30 !6
assign (resid  540 and name HD#  )(resid  577 and name HA   )   4.00  2.10  0.70 !2
assign (resid  540 and name HG   )(resid  549 and name HN   )   5.00  3.10  0.80!1 o/l n-g549
assign (resid  540 and name HG   )(resid  549 and name HB   )   5.00  3.10  0.80!1 o/l b-g549
assign (resid  540 and name HG   )(resid  549 and name HG1# )   5.00  3.10  0.80!1 o/l a-d562
assign (resid  540 and name HG   )(resid  577 and name HE#  )   3.50  1.60  0.60 !3
assign (resid  540 and name HD#  )(resid  549 and name HN   )   4.00  2.10  0.70 !2
assign (resid  540 and name HD#  )(resid  549 and name HG1# )   4.00  2.10  0.70 !2
assign (resid  540 and name HD# )(resid  549 and name HD1# )   5.00  3.10  0.80 !1 severe ol
assign (resid  540 and name HD#  )(resid  577 and name HB#  )   5.00  3.10  0.80 !1 o/l 535a:540d
assign (resid  540 and name HN   )(resid  567 and name HG#  )   3.50  1.60  0.60 !3 o/l b1-n540
assign (resid  541 and name HA#  )(resid  547 and name HB1  )   5.00  3.10  0.80 !1
assign (resid  541 and name HA#  )(resid  547 and name HB2  )   3.50  1.60  0.60 !3
assign (resid  541 and name HA#  )(resid  547 and name HB1  )   4.00  2.10  0.70 !2
assign (resid  541 and name HA#  )(resid  547 and name HB2  )   4.00  2.10  0.70 !2
assign (resid  541 and name HN   )(resid  547 and name HB1  )   5.00  3.10  0.80!1 o/l n-b556
assign (resid  541 and name HA#  )(resid  547 and name HN   )   5.00  3.10  0.80!1 
assign (resid  543 and name HH2  )(resid  576 and name HB#  )   4.00  2.10  0.70 !2
assign (resid  543 and name HH2  )(resid  578 and name HB#  )   3.50  1.60  0.60 !3
assign (resid  543 and name HZ2  )(resid  576 and name HB#  )   3.00  1.10  0.50 !4
assign (resid  543 and name HZ2  )(resid  576 and name HG#  )   5.00  3.10  0.80 !1
assign (resid  543 and name HZ2  )(resid  577 and name HA   )   4.00  2.10  0.70 !2
assign (resid  543 and name HZ3  )(resid  577 and name HA   )   3.50  1.60  0.60 !3
assign (resid  543 and name HH2  )(resid  577 and name HB#  )   4.00  2.10  0.70 !2 o/l 535a:543h2
assign (resid  543 and name HZ2  )(resid  595 and name HD2# )   3.00  1.10  0.50 !4 ?
assign (resid  543 and name HZ3  )(resid  578 and name HN   )   3.00  1.10  0.50 !4
assign (resid  543 and name HA   )(resid  590 and name HZ3  )   4.00  2.10  0.70 !2
assign (resid  543 and name HA   )(resid  590 and name HH2  )   5.00  3.10  0.80 !1 o/l n-a548
assign (resid  543 and name HE3  )(resid  590 and name HH2  )   4.00  2.10  0.70 !2
assign (resid  543 and name HZ2  )(resid  595 and name HB2  )   5.00  3.10  0.80 !1 o/l n-a535
assign (resid  543 and name HZ2  )(resid  595 and name HD#  )   3.50  1.60  0.60 !3
assign (resid  543 and name HZ3  )(resid  578 and name HB#  )   5.00  3.10  0.80 !1 o/l 534b:543z3
assign (resid  543 and name HH2  )(resid  577 and name HN   )   4.00  2.10  0.70 !2
assign (resid  543 and name HH2  )(resid  578 and name HN   )   4.00  2.10  0.70 !2
assign (resid  543 and name HH2  )(resid  595 and name HB1  )   5.00  3.10  0.80 !1
assign (resid  543 and name HH2  )(resid  595 and name HD#  )   5.00  3.10  0.80 !1
assign (resid  545 and name HA   )(resid  580 and name HD1# )   2.40  0.50  0.30 !7
assign (resid  545 and name HA   )(resid  590 and name HZ2  )   5.00  3.10  0.80 !1
assign (resid  545 and name HG2# )(resid  590 and name HZ2  )   2.40  0.50  0.30 !9
assign (resid  545 and name HG2# )(resid  580 and name HG2# )   2.40  0.50  0.30 !6
assign (resid  545 and name HG2# )(resid  590 and name HZ3  )   5.00  3.10  0.80 !1
assign (resid  545 and name HG2# )(resid  590 and name HH2  )   5.00  3.10  0.80 !1 o/l 571b:572n
assign (resid  549 and name HD1# )(resid  567 and name HB   )   4.00  2.10  0.70 !2
assign (resid  551 and name HA   )(resid  565 and name HG1# )   5.00  3.10  0.80 !1 o/l
assign (resid  551 and name HA   )(resid  565 and name HG2# )   5.00  3.10  0.80 !1 o/l
assign (resid  551 and name HD1# )(resid  565 and name HB   )   3.00  1.10  0.50 !4
assign (resid  551 and name HD2# )(resid  565 and name HB   )   3.50  1.60  0.60 !3
assign (resid  551 and name HB2  )(resid  563 and name HE3  )   2.40  0.50  0.30 !6
assign (resid  551 and name HB1  )(resid  563 and name HE3  )   2.70  0.80  0.40 !5
assign (resid  551 and name HD1# )(resid  563 and name HE3  )   4.00  2.10  0.70 !2
assign (resid  551 and name HG   )(resid  563 and name HE3  )   4.00  2.10  0.70 !2
assign (resid  551 and name HD1# )(resid  563 and name HH2  )   5.00  3.10  0.80 !1
assign (resid  551 and name HD2# )(resid  563 and name HE3  )   3.00  1.10  0.50 !4
assign (resid  551 and name HD2# )(resid  563 and name HB1  )   3.00  1.10  0.50 !4
assign (resid  551 and name HD2# )(resid  563 and name HB2  )   5.00  3.10  0.80 !1
assign (resid  551 and name HB2  )(resid  563 and name HB2  )   4.00  2.10  0.70 !2
assign (resid  551 and name HB2  )(resid  564 and name HN   )   3.50  1.60  0.60 !3
assign (resid  551 and name HG   )(resid  565 and name HB   )   3.00  1.10  0.50 !4
assign (resid  551 and name HD2# )(resid  564 and name HA   )    3.00  1.10  0.50 !4
assign (resid  552 and name HN   )(resid  564 and name HN   )   3.50  1.60  0.60 !3 o/l
assign (resid  552 and name HN   )(resid  565 and name HB   )   5.00  3.10  0.80 !1
assign (resid  552 and name HN   )(resid  565 and name HG1# )   4.00  2.10  0.70 !2
assign (resid  552 and name HN   )(resid  565 and name HG2# )   5.00  3.10  0.80 !1
assign (resid  552 and name HN   )(resid  563 and name HE3  )   3.50  1.60  0.60 !3
assign (resid  552 and name HA   )(resid  563 and name HZ3  )   4.00  2.10  0.70 !2
assign (resid  552 and name HB2  )(resid  563 and name HH2  )   5.00  3.10  0.80 !1
assign (resid  553 and name HB#  )(resid  563 and name HZ3  )   4.00  2.10  0.70 !2
assign (resid  553 and name HB#  )(resid  563 and name HZ2  )   3.50  1.60  0.60 !3
assign (resid  553 and name HB#  )(resid  563 and name HH2  )   3.50  1.60  0.60 !4 o/l 553b:556n
assign (resid  553 and name HB#  )(resid  563 and name HZ3  )   5.00  3.10  0.80 !1 o/l 573n:600n
assign (resid  553 and name HB#  )(resid  563 and name HN   )   5.00  3.10  0.80 !1 o/l 553b:563h2
assign (resid  554 and name HN   )(resid  564 and name HE#  )   4.00  2.10  0.70 !2
assign (resid  555 and name HD#  )(resid  564 and name HE#  )   2.40  0.50  0.30 !6
assign (resid  555 and name HD#  )(resid  564 and name HD#  )   5.00  3.10  0.80 !1
assign (resid  555 and name HN   )(resid  564 and name HE#  )   3.50  1.60  0.60 !3 o/l
assign (resid  555 and name HN   )(resid  564 and name HD#  )   5.00  3.10  0.80 !1
assign (resid  555 and name HA   )(resid  564 and name HE#  )   4.00  2.10  0.70 !2 o/l e564:a565
assign (resid  555 and name HB#  )(resid  564 and name HE#  )   3.00  1.10  0.50 !4
assign (resid  555 and name HG#  )(resid  564 and name HE#  )   3.50  1.60  0.60 !3
assign (resid  555 and name HB#  )(resid  562 and name HD#  )   2.70  0.80  0.40 !5
assign (resid  555 and name HG#  )(resid  562 and name HD#  )   3.00  1.10  0.50 !4
assign (resid  556 and name HE#  )(resid  561 and name HA   )   3.00  1.10  0.50 !4
assign (resid  556 and name HE#  )(resid  561 and name HB#  )   3.50  1.60  0.60 !3
assign (resid  556 and name HE#  )(resid  561 and name HG#  )   3.00  1.10  0.50 !4
assign (resid  556 and name HE#  )(resid  563 and name HD1  )   2.70  0.80  0.40 !5
assign (resid  556 and name HD#  )(resid  561 and name HB#  )   5.00  3.10  0.80 !1
assign (resid  556 and name HD#  )(resid  561 and name HG#  )   4.00  2.10  0.70 !2
assign (resid  556 and name HD#  )(resid  561 and name HA   )   2.70  0.80  0.40 !5
assign (resid  556 and name HD#  )(resid  563 and name HE1  )   2.70  0.80  0.40 !5
assign (resid  556 and name HD#  )(resid  563 and name HD1  )   2.40  0.50  0.30 !7
assign (resid  556 and name HD#  )(resid  563 and name HH2  )   5.00  3.10  0.80 !1 could o/l d-n556
assign (resid  569 and name HD2# )(resid  577 and name HD#  )   3.50  1.60  0.60 !3
assign (resid  569 and name HD1# )(resid  577 and name HD#  )   2.40  0.50  0.30 !9
assign (resid  569 and name HD1# )(resid  598 and name HD#  )   2.40  0.50  0.30 !6
assign (resid  572 and name HN   )(resid  600 and name HB   )   3.50  1.60  0.60 !3
assign (resid  572 and name HN   )(resid  600 and name HG2# )   4.00  2.10  0.70 !2
assign (resid  572 and name HN   )(resid  600 and name HG1# )   4.00  2.10  0.70 !2
assign (resid  573 and name HN   )(resid  600 and name HN   )   3.50  1.60  0.60 !3 o/l 553n:563z3
assign (resid  573 and name HN   )(resid  600 and name HG2# )   3.00  1.10  0.50 !4
assign (resid  573 and name HN   )(resid  600 and name HB   )   2.70  0.80  0.40 !5
assign (resid  573 and name HB#  )(resid  600 and name HG2# )   3.00  1.10  0.50 !4
assign (resid  574 and name HA   )(resid  599 and name HA   )   3.00  1.10  0.50 !4
assign (resid  574 and name HA   )(resid  599 and name HG2# )   3.00  1.10  0.50 !4
assign (resid  574 and name HA   )(resid  600 and name HN   )   5.00  3.10  0.80 !1 o/l a-n574
assign (resid  574 and name HB2  )(resid  599 and name HG2# )   4.00  2.10  0.70 !2
assign (resid  574 and name HB1  )(resid  599 and name HG2# )   3.50  1.60  0.60 !3
assign (resid  575 and name HD#  )(resid  598 and name HB2  )   4.00  2.10  0.70 !2 o/l
assign (resid  575 and name HD#  )(resid  598 and name HB1  )   4.00  2.10  0.70 !2
assign (resid  575 and name HN   )(resid  598 and name HN   )   3.00  1.10  0.50 !4
assign (resid  575 and name HN   )(resid  599 and name HA   )   5.00  3.10  0.80 !1 o
assign (resid  575 and name HN   )(resid  599 and name HG2# )   3.50  1.60  0.60 !3
assign (resid  575 and name HD#  )(resid  600 and name HG2# )   2.40  0.50  0.30 !10
assign (resid  575 and name HD#  )(resid  600 and name HG1# )   4.00  2.10  0.70 !2 o/l 537g2:575d
assign (resid  575 and name HD#  )(resid  600 and name HA   )   4.00  2.10  0.70 !2
assign (resid  575 and name HD#  )(resid  600 and name HN   )   3.00  1.10  0.50 !4 o/l
assign (resid  576 and name HA   )(resid  597 and name HA   )   2.40  0.50  0.30 !6
assign (resid  576 and name HA   )(resid  598 and name HN   )   3.50  1.60  0.60 !3
assign (resid  577 and name HN   )(resid  596 and name HN   )   3.00  1.10  0.50 !4
assign (resid  577 and name HN   )(resid  597 and name HA   )   2.70  0.80  0.40 !5
assign (resid  577 and name HD#  )(resid  598 and name HB2  )   4.00  2.10  0.70 !2
assign (resid  578 and name HB#  )(resid  595 and name HA   )   3.00  1.10  0.50 !4 or 588:587
assign (resid  579 and name HN   )(resid  591 and name HN   )   5.00  3.10  0.80 !1
assign (resid  579 and name HN   )(resid  591 and name HB1  )   5.00  3.10  0.80 !1
assign (resid  579 and name HB2  )(resid  615 and name HE3  )   4.00  2.10  0.70 !2
assign (resid  579 and name HB1  )(resid  615 and name HE3  )   4.00  2.10  0.70 !2 o/l
assign (resid  580 and name HA   )(resid  590 and name HA   )   3.00  1.10  0.50 !4
assign (resid  580 and name HA   )(resid  590 and name HD1  )   3.00  1.10  0.50 !4
assign (resid  580 and name HG2# )(resid  590 and name HE1  )   4.00  2.10  0.70 !2
assign (resid  580 and name HA   )(resid  591 and name HN   )   3.50  1.60  0.60 !3
assign (resid  580 and name HG2# )(resid  588 and name HG1# )   2.70  0.80  0.40 !5
assign (resid  580 and name HG2# )(resid  588 and name HG2# )   2.40  0.50  0.30 !7
assign (resid  580 and name HB   )(resid  588 and name HG2# )   2.70  0.80  0.40 !5
assign (resid  580 and name HA   )(resid  588 and name HG2# )   3.50  1.60  0.60 !3
assign (resid  580 and name HD1# )(resid  588 and name HG2# )   3.00  1.10  0.50 !4 o/l
assign (resid  580 and name HG2# )(resid  590 and name HD1  )   3.00  1.10  0.50 !4
assign (resid  580 and name HG2# )(resid  590 and name HE3  )   2.70  0.80  0.40 !5
assign (resid  580 and name HG2# )(resid  590 and name HA   )   5.00  3.10  0.80 !1 o/l
assign (resid  580 and name HG2# )(resid  590 and name HN   )   3.50  1.60  0.60 !3
assign (resid  581 and name HN   )(resid  589 and name HN   )   3.50  1.60  0.60 !3
assign (resid  581 and name HN   )(resid  588 and name HG1# )   4.00  2.10  0.70 !2 o/l
assign (resid  581 and name HN   )(resid  588 and name HG2# )   5.00  3.10  0.80 !1
assign (resid  581 and name HN   )(resid  590 and name HA   )   5.00  3.10  0.80 !1
assign (resid  581 and name HN   )(resid  615 and name HE3  )   5.00  3.10  0.80 !1 (o/l)
assign (resid  582 and name HD1# )(resid  590 and name HD1  )   4.00  2.10  0.70 !2
assign (resid  582 and name HA   )(resid  588 and name HG2# )   3.50  1.60  0.60 !3
assign (resid  582 and name HG1# )(resid  588 and name HG2# )   2.40  0.50  0.30 !8
assign (resid  582 and name HG2# )(resid  587 and name HN   )   3.50  1.60  0.60 !3
assign (resid  582 and name HA   )(resid  589 and name HN   )   5.00  3.10  0.80 !1
assign (resid  583 and name HN   )(resid  588 and name HA   )   4.00  2.10  0.70 !2
assign (resid  598 and name HD#  )(resid  611 and name HG2# )   5.00  3.10  0.80 !1 o
assign (resid  598 and name HD#  )(resid  610 and name HB   )   3.50  1.80  0.60 !3 o/l 598:600
assign (resid  598 and name HE#  )(resid  610 and name HB   )   2.70  0.80  0.40 !5
assign (resid  555 and name HE#  )(resid  564 and name HE#  )   5.00  3.10  0.80 !1 o/l b520:d564
assign (resid  556 and name HA   )(resid  561 and name HA   )   2.70  0.80  0.40 !5
assign (resid  556 and name HA   )(resid  562 and name HN   )   5.00  3.10  0.80 !1 o/l a556:n557 and b510:n514
assign (resid  556 and name HB2  )(resid  563 and name HB2  )   5.00  3.10  0.80 !1 o/l b-b547
assign (resid  556 and name HE#  )(resid  563 and name HE1  )   5.00  3.10  0.80 !1 o/l 563e1:615d1
assign (resid  563 and name HD1  )(resid  615 and name HD1  )   5.00  3.10  0.80 !1 o/l
assign (resid  569 and name HN   )(resid  600 and name HG2# )   5.00  3.10  0.80 !1 o/l n-b580 and n532:b580
assign (resid  569 and name HB1  )(resid  600 and name HG2# )   3.50  1.80  0.50 !3
assign (resid  569 and name HD1# )(resid  577 and name HE#  )   5.00  3.10  0.80 !1 o/l d569:d598
assign (resid  570 and name HA   )(resid  600 and name HG1# )   5.00  3.10  0.80 !1 o/l a-b523
assign (resid  572 and name HN   )(resid  602 and name HB#  )   5.00  3.10  0.80 !1 o/l b589:h259
assign (resid  572 and name HA#  )(resid  600 and name HG1# )   5.00  3.10  0.80 !1 o/l b-g568
assign (resid  572 and name HA#  )(resid  602 and name HE#  )   5.00  3.10  0.80 !1 o/l n-a572
assign (resid  573 and name HN   )(resid  600 and name HG1# )   5.00  3.10  0.80 !1 o/l
assign (resid  574 and name HA   )(resid  598 and name HN   )   5.00  3.10  0.80 !1
assign (resid  574 and name HB2  )(resid  599 and name HN   )   5.00  3.10  0.80 !1 o/l
assign (resid  575 and name HB#  )(resid  598 and name HB1  )   5.00  3.10  0.80 !1 o/l b-b519
assign (resid  575 and name HB#  )(resid  600 and name HN   )   5.00  3.10  0.80 !1 o/l b575:n576
assign (resid  576 and name HA   )(resid  595 and name HB2  )   4.00  2.10  0.70 !2
assign (resid  576 and name HA   )(resid  597 and name HG#  )   4.00  2.10  0.70 !2 o/l
assign (resid  576 and name HB#  )(resid  595 and name HD#  )   5.00  3.10  0.80 !1
assign (resid  576 and name HB#  )(resid  596 and name HN   )   5.00  3.10  0.80 !1 
assign (resid  576 and name HB#  )(resid  597 and name HA   )   5.00  3.10  0.80 !1 o/l a-g597
assign (resid  576 and name HB#  )(resid  597 and name HB2  )   5.00  3.10  0.80 !1 o/l b-g597
assign (resid  576 and name HG#  )(resid  597 and name HA   )   5.00  3.10  0.80 !1
assign (resid  576 and name HG#  )(resid  597 and name HG#  )   5.00  3.10  0.80 !1 o/l b-g593
assign (resid  577 and name HA   )(resid  595 and name HB2  )   5.00  3.10  0.80 !1 o/l n-b577
assign (resid  577 and name HN   )(resid  597 and name HG#  )   5.00  3.10  0.80 !1 o/l g583:n584
assign (resid  577 and name HA   )(resid  595 and name HB2  )   5.00  3.10  0.80 !1 o/l a535:a577
assign (resid  577 and name HB#  )(resid  597 and name HA   )   5.00  3.10  0.80 !1 o/l a-b597
assign (resid  577 and name HD#  )(resid  598 and name HN   )   5.00  3.10  0.80 !1 o/l
assign (resid  577 and name HD#  )(resid  598 and name HB2  )   5.00  3.10  0.80 !1 o/l d575:b598
assign (resid  578 and name HN   )(resid  595 and name HB2  )   5.00  3.10  0.80 !1 o/l b577:n578
assign (resid  578 and name HB#  )(resid  590 and name HE3  )   5.00  3.10  0.80 !1 o/l e3590:b591
assign (resid  578 and name HB#  )(resid  590 and name HZ3  )   5.00  3.10  0.80 !1 o/l b534:z3543 and z3543:b578
assign (resid  579 and name HA   )(resid  613 and name HB#  )   5.00  3.10  0.80 !1 o/l a-b579
assign (resid  579 and name HB1  )(resid  613 and name HA   )   5.00  3.10  0.80 !1 o/l a-b613
assign (resid  579 and name HB2  )(resid  613 and name HA   )   5.00  3.10  0.80 !1 o/l a520:b564
assign (resid  579 and name HB2  )(resid  613 and name HB#  )   5.00  3.10  0.80 !1 o/l b-b579
assign (resid  579 and name HB1  )(resid  615 and name HZ3  )   5.00  3.10  0.80 !1 o/l b-d579
assign (resid  579 and name HB2  )(resid  615 and name HZ3  )   5.00  3.10  0.80 !1 o/l b-d579
assign (resid  579 and name HD#  )(resid  613 and name HB#  )   5.00  3.10  0.80 !1 o/l b-d579 and b579:z3615
assign (resid  580 and name HN   )(resid  615 and name HZ3  )   4.00  2.10  0.70 !2
assign (resid  580 and name HA   )(resid  590 and name HD1  )   5.00  3.10  0.80 !1 o/l or replace a580:z2615
assign (resid  580 and name HA   )(resid  615 and name HE3  )   5.00  3.10  0.80 !1 o/l or replace a580:h2615
assign (resid  580 and name HA   )(resid  615 and name HZ3  )   5.00  3.10  0.80 !1 o/l d579:a580
assign (resid  580 and name HB   )(resid  589 and name HA   )   5.00  3.10  0.80 !1 o/l a-b522
assign (resid  580 and name HG1# )(resid  590 and name HB1  )   5.00  3.10  0.80 !1 o/l b579:g580
assign (resid  580 and name HG1# )(resid  590 and name HZ3  )   5.00  3.10  0.80 !1 o/l g518:d564
assign (resid  580 and name HG2# )(resid  589 and name HA   )   5.00  3.10  0.80 !1
assign (resid  580 and name HG2# )(resid  590 and name HN   )   5.00  3.10  0.80 !1 o/l n-g611
assign (resid  580 and name HG2# )(resid  590 and name HB1  )   4.00  2.10  0.70 !2
assign (resid  581 and name HN   )(resid  589 and name HB2  )   5.00  3.10  0.80 !1 o/l n-x578
assign (resid  581 and name HB#  )(resid  590 and name HD1  )   5.00  3.10  0.80 !1 o/l z2615:b581+g545:h2590+b571:n572
assign (resid  581 and name HB#  )(resid  615 and name HZ2  )   5.00  3.10  0.80 !1 o/l g545:h2590+b571:n572+b581:d590
assign (resid  582 and name HG1# )(resid  587 and name HA   )   5.00  3.10  0.80 !1 o/l a-g549 and g2582:a587
assign (resid  582 and name HG1# )(resid  588 and name HA   )   5.00  3.10  0.80 !1 o/l a-g588
assign (resid  582 and name HG1# )(resid  588 and name HB   )   5.00  3.10  0.80 !1 o/l b-g588 and b-g567 and b-g534
assign (resid  582 and name HG1# )(resid  589 and name HN   )   5.00  3.10  0.80 !1 o/l n-d555
assign (resid  582 and name HG1# )(resid  590 and name HD1  )   5.00  3.10  0.80 !1 replace g588:h2590
assign (resid  582 and name HG1# )(resid  590 and name HE1  )   4.00  2.10  0.70 !2
assign (resid  582 and name HG2# )(resid  587 and name HA   )   5.00  3.10  0.80 !1 o/l a-g549 and 582g1:587a
assign (resid  598 and name HD#  )(resid  609 and name HB#  )   5.00  3.10  0.80 !1 o/l 598d:600g
assign (resid  598 and name HE#  )(resid  609 and name HB#  )   5.00  3.10  0.80 !1 o/l 598e:600g
!class hbonds ! 86
assign (resid  513 and name O    )(resid  571 and name N    )   3.3 0.8 0.2
assign (resid  513 and name O    )(resid  571 and name HN   )   2.3 0.5 0.2
assign (resid  515 and name N    )(resid  569 and name O    )   3.3 0.8 0.2
assign (resid  515 and name HN   )(resid  569 and name O    )   2.3 0.5 0.2
assign (resid  515 and name O    )(resid  569 and name N    )   3.3 0.8 0.2
assign (resid  515 and name O    )(resid  569 and name HN   )   2.3 0.5 0.2
assign (resid  517 and name N    )(resid  567 and name O    )   3.3 0.8 0.2
assign (resid  517 and name HN   )(resid  567 and name O    )   2.3 0.5 0.2
assign (resid  517 and name O    )(resid  567 and name N    )   3.3 0.8 0.2
assign (resid  517 and name O    )(resid  567 and name HN   )   2.3 0.5 0.2
assign (resid  519 and name N    )(resid  565 and name O    )   3.3 0.8 0.2
assign (resid  519 and name HN   )(resid  565 and name O    )   2.3 0.5 0.2
assign (resid  519 and name O    )(resid  565 and name N    )   3.3 0.8 0.2
assign (resid  519 and name O    )(resid  565 and name HN   )   2.3 0.5 0.2
assign (resid  521 and name N    )(resid  563 and name O    )   3.3 0.8 0.2
assign (resid  521 and name HN   )(resid  563 and name O    )   2.3 0.5 0.2
assign (resid  521 and name O    )(resid  563 and name N    )   3.3 0.8 0.2
assign (resid  521 and name O    )(resid  563 and name HN   )   2.3 0.5 0.2
assign (resid  523 and name N    )(resid  561 and name O    )   3.3 0.8 0.2
assign (resid  523 and name HN   )(resid  561 and name O    )   2.3 0.5 0.2
assign (resid  516 and name N    )(resid  607 and name O    )   3.3 0.8 0.2
assign (resid  516 and name HN   )(resid  607 and name O    )   2.3 0.5 0.2
assign (resid  516 and name O    )(resid  609 and name N    )   3.3 0.8 0.2
assign (resid  516 and name O    )(resid  609 and name HN   )   2.3 0.5 0.2
assign (resid  518 and name N    )(resid  609 and name O    )   3.3 0.8 0.2
assign (resid  518 and name HN   )(resid  609 and name O    )   2.3 0.5 0.2
assign (resid  518 and name O    )(resid  611 and name N    )   3.3 0.8 0.2
assign (resid  518 and name O    )(resid  611 and name HN   )   2.3 0.5 0.2
assign (resid  520 and name N    )(resid  611 and name O    )   3.3 0.8 0.2
assign (resid  520 and name HN   )(resid  611 and name O    )   2.3 0.5 0.2
assign (resid  520 and name O    )(resid  613 and name N    )   3.3 0.8 0.2
assign (resid  520 and name O    )(resid  613 and name HN   )   2.3 0.5 0.2
assign (resid  522 and name N    )(resid  613 and name O    )   3.3 0.8 0.2
assign (resid  522 and name HN   )(resid  613 and name O    )   2.3 0.5 0.2
assign (resid  522 and name O    )(resid  615 and name N    )   3.3 0.8 0.2
assign (resid  522 and name O    )(resid  615 and name HN   )   2.3 0.5 0.2
assign (resid  531 and name O    )(resid  551 and name N    )   3.3 0.8 0.2
assign (resid  531 and name O    )(resid  551 and name HN   )   2.3 0.5 0.2
assign (resid  533 and name N    )(resid  549 and name O    )   3.3 0.8 0.2
assign (resid  533 and name HN   )(resid  549 and name O    )   2.3 0.5 0.2
assign (resid  533 and name O    )(resid  549 and name N    )   3.3 0.8 0.2
assign (resid  533 and name O    )(resid  549 and name HN   )   2.3 0.5 0.2
assign (resid  530 and name N    )(resid  582 and name O    )   3.3 0.8 0.2
assign (resid  530 and name HN   )(resid  582 and name O    )   2.3 0.5 0.2
assign (resid  530 and name O    )(resid  582 and name N    )   3.3 0.8 0.2
assign (resid  530 and name O    )(resid  582 and name HN   )   2.3 0.5 0.2
assign (resid  532 and name N    )(resid  580 and name O    )   3.3 0.8 0.2
assign (resid  532 and name HN   )(resid  580 and name O    )   2.3 0.5 0.2
assign (resid  532 and name O    )(resid  580 and name N    )   3.3 0.8 0.2
assign (resid  532 and name O    )(resid  580 and name HN   )   2.3 0.5 0.2
assign (resid  534 and name N    )(resid  578 and name O    )   3.3 0.8 0.2
assign (resid  534 and name HN   )(resid  578 and name O    )   2.3 0.5 0.2
assign (resid  534 and name O    )(resid  578 and name N    )   3.3 0.8 0.2
assign (resid  534 and name O    )(resid  578 and name HN   )   2.3 0.5 0.2
assign (resid  536 and name N    )(resid  576 and name O    )   3.3 0.8 0.2
assign (resid  536 and name HN   )(resid  576 and name O    )   2.3 0.5 0.2
assign (resid  573 and name O    )(resid  600 and name N    )   3.3 0.8 0.2
assign (resid  573 and name O    )(resid  600 and name HN   )   2.3 0.5 0.2
assign (resid  573 and name N    )(resid  600 and name O    )   3.3 0.8 0.2
assign (resid  573 and name HN   )(resid  600 and name O    )   2.3 0.5 0.2
assign (resid  575 and name N    )(resid  598 and name O    )   3.3 0.8 0.2
assign (resid  575 and name HN   )(resid  598 and name O    )   2.3 0.5 0.2
assign (resid  575 and name O    )(resid  598 and name N    )   3.3 0.8 0.2
assign (resid  575 and name O    )(resid  598 and name HN   )   2.3 0.5 0.2
assign (resid  577 and name N    )(resid  596 and name O    )   3.3 0.8 0.2
assign (resid  577 and name HN   )(resid  596 and name O    )   2.3 0.5 0.2
assign (resid  577 and name O    )(resid  596 and name N    )   3.3 0.8 0.2
assign (resid  577 and name O    )(resid  596 and name HN   )   2.3 0.5 0.2
assign (resid  579 and name O    )(resid  591 and name N    )   3.3 0.8 0.2
assign (resid  579 and name O    )(resid  591 and name HN   )   2.3 0.5 0.2
assign (resid  581 and name N    )(resid  589 and name O    )   3.3 0.8 0.2
assign (resid  581 and name HN   )(resid  589 and name O    )   2.3 0.5 0.2
assign (resid  581 and name O    )(resid  589 and name N    )   3.3 0.8 0.2
assign (resid  581 and name O    )(resid  589 and name HN   )   2.3 0.5 0.2
assign (resid  535 and name N    )(resid  540 and name O    )   3.3 0.8 0.2
assign (resid  535 and name HN   )(resid  540 and name O    )   2.3 0.5 0.2
assign (resid  537 and name O    )(resid  540 and name N    )   3.3 0.8 0.2
assign (resid  537 and name O    )(resid  540 and name HN   )   2.3 0.5 0.2
assign (resid  538 and name O    )(resid  541 and name N    )   3.3 0.8 0.2
assign (resid  538 and name O    )(resid  541 and name HN   )   2.3 0.5 0.2
assign (resid  538 and name O    )(resid  542 and name N    )   3.3 0.8 0.2
assign (resid  538 and name O    )(resid  542 and name HN   )   2.3 0.5 0.2
assign (resid  552 and name N    )(resid  564 and name O    )   3.3 0.8 0.2
assign (resid  552 and name HN   )(resid  564 and name O    )   2.3 0.5 0.2
assign (resid  583 and name N    )(resid  587 and name O    )   3.3 0.8 0.2
assign (resid  583 and name HN   )(resid  587 and name O    )   2.3 0.5 0.2
!
!--------------------------------------------------------------------------
!
!Dihedral constraints
!
!phi restraints
!J >= 8.0, -120 +/- 40
!7.0 <= J < 8.0, -120 +/- 50
!J <= 5.5, -65 +/- 25
!
!unmarked J: from Pronto (used wherever possible/available) 
!FN: Felix peak fitting using NOESY (asper3.mat)
!FT: Felix peak fitting using TOCSY (asper2.mat)
!
!unused J values: T511 5.89 (FT, can't fit properly), V517 6.60, L533 6.51 (FN, wk pk)
!S538 6.20 (FT), Q539 6.20 (FN), L540 6.55 (FN) (FT o/l), D542 6.21 (FN)
!E544 6.85 (FN), L551 6.45 (FN), Y556 6.95 (FN), S558 o/l can't measure
!Y564 6.08 (FN), T566 6.08, A571 6.43 (FN, lge err), E573 6.69 not reliable
!F575 6.42 (FN), I580 5.57, D585 6.53 (FN), E591 5.70 (FN), A603 ambig pk
!A609 6.68 (FN, o/l)/7.63 (FT, lge err), V611 can't measure (FN & FT o/l)
!
assign (resid 509 and name C)  (resid 510 and name N)
       (resid 510 and name CA) (resid 510 and name C) 1.0 -120.0 40.0 2 !T510 8.83 (FT) (not good fit)
assign (resid 512 and name C)  (resid 513 and name N)
       (resid 513 and name CA) (resid 513 and name C) 1.0 -65.0 25.0 2 !(T513) 2.45
assign (resid 513 and name C)  (resid 514 and name N)
       (resid 514 and name CA) (resid 514 and name C) 1.0 -120.0 40.0 2 !A514 8.24 (FN)
assign (resid 514 and name C)  (resid 515 and name N)
       (resid 515 and name CA) (resid 515 and name C) 1.0 -120.0 40.0 2 !V515 10.59
assign (resid 515 and name C)  (resid 516 and name N)
       (resid 516 and name CA) (resid 516 and name C) 1.0 -120.0 40.0 2 !A516 9.96 (FN)
assign (resid 517 and name C)  (resid 518 and name N)
       (resid 518 and name CA) (resid 518 and name C) 1.0 -65.0 25.0 2 !T518 4.56 (FN)
assign (resid 518 and name C)  (resid 519 and name N)
       (resid 519 and name CA) (resid 519 and name C) 1.0 -120.0 40.0 2 !F519 10.80
assign (resid 519 and name C)  (resid 520 and name N)
       (resid 520 and name CA) (resid 520 and name C) 1.0 -120.0 40.0 2 !D520 9.53 (FT)
assign (resid 520 and name C)  (resid 521 and name N)
       (resid 521 and name CA) (resid 521 and name C) 1.0 -120.0 50.0 2 !L521 7.28 (FN)
assign (resid 521 and name C)  (resid 522 and name N)
       (resid 522 and name CA) (resid 522 and name C) 1.0 -120.0 40.0 2 !T522 8.43 (FT)
assign (resid 522 and name C)  (resid 523 and name N)
       (resid 523 and name CA) (resid 523 and name C) 1.0 -120.0 50.0 2 !A523 7.52
assign (resid 523 and name C)  (resid 524 and name N)
       (resid 524 and name CA) (resid 524 and name C) 1.0 -65.0 25.0 2 !T524 5.22
assign (resid 524 and name C)  (resid 525 and name N)
       (resid 525 and name CA) (resid 525 and name C) 1.0 -65.0 25.0 2 !T525 5.33 (FN)
assign (resid 525 and name C)  (resid 526 and name N)
       (resid 526 and name CA) (resid 526 and name C) 1.0 -120.0 40.0 2 !T526 15.52 (FT) (split pk, not accurate?)
assign (resid 526 and name C)  (resid 527 and name N)
       (resid 527 and name CA) (resid 527 and name C) 1.0 -65.0 25.0 2 !Y527 4.50 (FN, not reliable), 5.37 (FT)
assign (resid 528 and name C)  (resid 529 and name N)
       (resid 529 and name CA) (resid 529 and name C) 1.0 -120.0 50.0 2 !E529 7.83 (FN)
assign (resid 529 and name C)  (resid 530 and name N)
       (resid 530 and name CA) (resid 530 and name C) 1.0 -120.0 40.0 2 !N530 10.63
assign (resid 530 and name C)  (resid 531 and name N)
       (resid 531 and name CA) (resid 531 and name C) 1.0 -65.0 25.0 2 !I531 1.35
assign (resid 531 and name C)  (resid 532 and name N)
       (resid 532 and name CA) (resid 532 and name C) 1.0 -120.0 40.0 2 !Y532 11.20
assign (resid 533 and name C)  (resid 534 and name N)
       (resid 534 and name CA) (resid 534 and name C) 1.0 -120.0 40.0 2 !V534 8.94
assign (resid 535 and name C)  (resid 536 and name N)
       (resid 536 and name CA) (resid 536 and name C) 1.0 -65.0 25.0 2 !S536 2.61
assign (resid 536 and name C)  (resid 537 and name N)
       (resid 537 and name CA) (resid 537 and name C) 1.0 -120.0 40.0 2 !I537 9.37
assign (resid 542 and name C)  (resid 543 and name N)
       (resid 543 and name CA) (resid 543 and name C) 1.0 -120.0 50.0 2 !W543 7.59
assign (resid 544 and name C)  (resid 545 and name N)
       (resid 545 and name CA) (resid 545 and name C) 1.0 -65.0 25.0 2 !T545 2.03
assign (resid 545 and name C)  (resid 546 and name N)
       (resid 546 and name CA) (resid 546 and name C) 1.0 -120.0 40.0 2 !S546 8.24 (FN)
assign (resid 546 and name C)  (resid 547 and name N)
       (resid 547 and name CA) (resid 547 and name C) 1.0 -120.0 40.0 2 !D547 10.59
assign (resid 548 and name C)  (resid 549 and name N)
       (resid 549 and name CA) (resid 549 and name C) 1.0 -120.0 40.0 2 !I549 9.96
assign (resid 549 and name C)  (resid 550 and name N)
       (resid 550 and name CA) (resid 550 and name C) 1.0 -65.0 25.0 2 !A550 4.05
assign (resid 551 and name C)  (resid 552 and name N)
       (resid 552 and name CA) (resid 552 and name C) 1.0 -120.0 40.0 2 !S552 10.97
assign (resid 552 and name C)  (resid 553 and name N)
       (resid 553 and name CA) (resid 553 and name C) 1.0 -120.0 40.0 2 !A553 10.30
assign (resid 553 and name C)  (resid 554 and name N)
       (resid 554 and name CA) (resid 554 and name C) 1.0 -65.0 25.0 2 !D554 2.87
assign (resid 554 and name C)  (resid 555 and name N)
       (resid 555 and name CA) (resid 555 and name C) 1.0 -120.0 40.0 2 !K555 10.13
assign (resid 556 and name C)  (resid 557 and name N)
       (resid 557 and name CA) (resid 557 and name C) 1.0 -120.0 40.0 2 !T557 8.44 (6.67 FN)
assign (resid 558 and name C)  (resid 559 and name N)
       (resid 559 and name CA) (resid 559 and name C) 1.0 -120.0 50.0 2 !S559 7.59
assign (resid 559 and name C)  (resid 560 and name N)
       (resid 560 and name CA) (resid 560 and name C) 1.0 -120.0 40.0 2 !D560 9.45
assign (resid 561 and name C)  (resid 562 and name N)
       (resid 562 and name CA) (resid 562 and name C) 1.0 -120.0 40.0 2 !L562 9.67
assign (resid 562 and name C)  (resid 563 and name N)
       (resid 563 and name CA) (resid 563 and name C) 1.0 -120.0 40.0 2 !W563 14.01
assign (resid 564 and name C)  (resid 565 and name N)
       (resid 565 and name CA) (resid 565 and name C) 1.0 -120.0 40.0 2 !V565 8.14 (FN, lge err)/6.76 (FT, larger err)
assign (resid 566 and name C)  (resid 567 and name N)
       (resid 567 and name CA) (resid 567 and name C) 1.0 -120.0 40.0 2 !V567 11.05
assign (resid 567 and name C)  (resid 568 and name N)
       (resid 568 and name CA) (resid 568 and name C) 1.0 -65.0 25.0 2 !T568 2.92
assign (resid 568 and name C)  (resid 569 and name N)
       (resid 569 and name CA) (resid 569 and name C) 1.0 -120.0 40.0 2 !L569 9.79 (FT)
assign (resid 573 and name C)  (resid 574 and name N)
       (resid 574 and name CA) (resid 574 and name C) 1.0 -120.0 40.0 2 !S574 9.67
assign (resid 575 and name C)  (resid 576 and name N)
       (resid 576 and name CA) (resid 576 and name C) 1.0 -120.0 50.0 2 !E576 7.18 (FN)
assign (resid 576 and name C)  (resid 577 and name N)
       (resid 577 and name CA) (resid 577 and name C) 1.0 -120.0 40.0 2 !Y577 8.61
assign (resid 577 and name C)  (resid 578 and name N)
       (resid 578 and name CA) (resid 578 and name C) 1.0 -120.0 50.0 2 !K578 7.67
assign (resid 578 and name C)  (resid 579 and name N)
       (resid 579 and name CA) (resid 579 and name C) 1.0 -65.0 25.0 2 !F579 5.00 (FN, < av. fit)
assign (resid 580 and name C)  (resid 581 and name N)
       (resid 581 and name CA) (resid 581 and name C) 1.0 -120.0 40.0 2 !R581 12.12
assign (resid 581 and name C)  (resid 582 and name N)
       (resid 582 and name CA) (resid 582 and name C) 1.0 -120.0 40.0 2 !I582 9.87 (FT)
assign (resid 582 and name C)  (resid 583 and name N)
       (resid 583 and name CA) (resid 583 and name C) 1.0 -120.0 50.0 2 !E583 7.59 (FN)
assign (resid 583 and name C)  (resid 584 and name N)
       (resid 584 and name CA) (resid 584 and name C) 1.0 -65.0 25.0 2 !S584 2.53
assign (resid 585 and name C)  (resid 586 and name N)
       (resid 586 and name CA) (resid 586 and name C) 1.0 -65.0 25.0 2 !D586 3.38
assign (resid 586 and name C)  (resid 587 and name N)
       (resid 587 and name CA) (resid 587 and name C) 1.0 -120.0 50.0 2 !S587 7.67 (6.65 FN)
assign (resid 587 and name C)  (resid 588 and name N)
       (resid 588 and name CA) (resid 588 and name C) 1.0 -120.0 40.0 2 !V588 10.80
assign (resid 588 and name C)  (resid 589 and name N)
       (resid 589 and name CA) (resid 589 and name C) 1.0 -120.0 40.0 2 !E589 10.46
assign (resid 589 and name C)  (resid 590 and name N)
       (resid 590 and name CA) (resid 590 and name C) 1.0 -120.0 40.0 2 !W590 8.44
assign (resid 591 and name C)  (resid 592 and name N)
       (resid 592 and name CA) (resid 592 and name C) 1.0 -65.0 25.0 2 !S592 2.53
assign (resid 592 and name C)  (resid 593 and name N)
       (resid 593 and name CA) (resid 593 and name C) 1.0 -65.0 25.0 2 !D593 4.39
assign (resid 594 and name C)  (resid 595 and name N)
       (resid 595 and name CA) (resid 595 and name C) 1.0 -120.0 50.0 2 !N595 7.81 (FN)
assign (resid 595 and name C)  (resid 596 and name N)
       (resid 596 and name CA) (resid 596 and name C) 1.0 -120.0 40.0 2 !R596 8.44 (FT) (FN o/l)
assign (resid 596 and name C)  (resid 597 and name N)
       (resid 597 and name CA) (resid 597 and name C) 1.0 -120.0 40.0 2 !E597 8.10 (FT) (FN o/l)
assign (resid 597 and name C)  (resid 598 and name N)
       (resid 598 and name CA) (resid 598 and name C) 1.0 -120.0 40.0 2 !Y598 9.11 (FT) (FN o/l)
assign (resid 598 and name C)  (resid 599 and name N)
       (resid 599 and name CA) (resid 599 and name C) 1.0 -120.0 40.0 2 !T599 9.29 (FT)
assign (resid 599 and name C)  (resid 600 and name N)
       (resid 600 and name CA) (resid 600 and name C) 1.0 -65.0 25.0 2 !V600 1.86
assign (resid 601 and name C)  (resid 602 and name N)
       (resid 602 and name CA) (resid 602 and name C) 1.0 -120.0 40.0 2 !Q602 8.19 (FT)
assign (resid 605 and name C)  (resid 606 and name N)
       (resid 606 and name CA) (resid 606 and name C) 1.0 -120.0 40.0 2 !T606 8.20 (FT)
assign (resid 606 and name C)  (resid 607 and name N)
       (resid 607 and name CA) (resid 607 and name C) 1.0 -120.0 40.0 2 !S607 14.96 (FT o/l)
assign (resid 607 and name C)  (resid 608 and name N)
       (resid 608 and name CA) (resid 608 and name C) 1.0 -120.0 40.0 2 !T608 12.49
assign (resid 609 and name C)  (resid 610 and name N)
       (resid 610 and name CA) (resid 610 and name C) 1.0 -120.0 40.0 2 !T610 9.78 (FT)
assign (resid 611 and name C)  (resid 612 and name N)
       (resid 612 and name CA) (resid 612 and name C) 1.0 -120.0 40.0 2 !T612 11.65
assign (resid 612 and name C)  (resid 613 and name N)
       (resid 613 and name CA) (resid 613 and name C) 1.0 -120.0 40.0 2 !D613 9.62
assign (resid 613 and name C)  (resid 614 and name N)
       (resid 614 and name CA) (resid 614 and name C) 1.0 -120.0 40.0 2 !T614 8.28 (FT) (FN o/l)
assign (resid 614 and name C)  (resid 615 and name N)
       (resid 615 and name CA) (resid 615 and name C) 1.0 -120.0 50.0 2 !W615 7.47 (FN)
assign (resid 615 and name C)  (resid 616 and name N)
       (resid 616 and name CA) (resid 616 and name C) 1.0 -120.0 50.0 2 !R616 7.82
!
!chi1 restraints for beta-methylenes for single predominant rotamers
!
assign (resid 519 and name N)  (resid 519 and name CA) 
       (resid 519 and name CB) (resid 519 and name CG) 1.0 -60.0 30.0 2 !F519
assign (resid 520 and name N)  (resid 520 and name CA)
       (resid 520 and name CB) (resid 520 and name CG) 1.0 60.0 30.0 2 !D520
assign (resid 521 and name N)  (resid 521 and name CA)
       (resid 521 and name CB) (resid 521 and name CG) 1.0 -60.0 30.0 2 !L521 180 b4;
assign (resid 527 and name N)  (resid 527 and name CA)
       (resid 527 and name CB) (resid 527 and name CG) 1.0 180.0 30.0 2 !Y527
assign (resid 530 and name N)  (resid 530 and name CA)
       (resid 530 and name CB) (resid 530 and name CG) 1.0 180.0 30.0 2 !N530
assign (resid 532 and name N)  (resid 532 and name CA)
       (resid 532 and name CB) (resid 532 and name CG) 1.0 -60.0 30.0 2 !Y532
assign (resid 533 and name N)  (resid 533 and name CA)
       (resid 533 and name CB) (resid 533 and name CG) 1.0 180.0 30.0 2 !L533 after calc (-120+/-90 b4)
assign (resid 539 and name N)  (resid 539 and name CA)
       (resid 539 and name CB) (resid 539 and name CG) 1.0 -60.0 30.0 2 !Q539
assign (resid 540 and name N)  (resid 540 and name CA)
       (resid 540 and name CB) (resid 540 and name CG) 1.0 -60.0 30.0 2 !L540
assign (resid 542 and name N)  (resid 542 and name CA)
       (resid 542 and name CB) (resid 542 and name CG) 1.0 -60.0 30.0 2 !D542
assign (resid 546 and name N)  (resid 546 and name CA)
       (resid 546 and name CB) (resid 546 and name OG) 1.0 60.0 30.0 2 !S546
assign (resid 547 and name N)  (resid 547 and name CA)
       (resid 547 and name CB) (resid 547 and name CG) 1.0 -60.0 30.0 2 !D547
assign (resid 551 and name N)  (resid 551 and name CA)
       (resid 551 and name CB) (resid 551 and name CG) 1.0 -60.0 30.0 2 !L551
assign (resid 552 and name N)  (resid 552 and name CA)
       (resid 552 and name CB) (resid 552 and name OG) 1.0 180.0 30.0 2 !S552
assign (resid 554 and name N)  (resid 554 and name CA)
       (resid 554 and name CB) (resid 554 and name CG) 1.0 60.0 30.0 2 !D554
assign (resid 556 and name N)  (resid 556 and name CA)
       (resid 556 and name CB) (resid 556 and name CG) 1.0 180.0 30.0 2 !Y556
assign (resid 563 and name N)  (resid 563 and name CA)
       (resid 563 and name CB) (resid 563 and name CG) 1.0 -60.0 30.0 2 !W563
assign (resid 569 and name N)  (resid 569 and name CA)
       (resid 569 and name CB) (resid 569 and name CG) 1.0 -60.0 30.0 2 !L569 after calc (-120+/-90 b4)
assign (resid 574 and name N)  (resid 574 and name CA)
       (resid 574 and name CB) (resid 574 and name OG) 1.0 180.0 30.0 2 !S574
assign (resid 579 and name N)  (resid 579 and name CA)
       (resid 579 and name CB) (resid 579 and name CG) 1.0 60.0 30.0 2 !F579 -60 b4
assign (resid 583 and name N)  (resid 583 and name CA)
       (resid 583 and name CB) (resid 583 and name CG) 1.0 -60.0 40.0 2 !E583 changed to +/-40, NOE abs/ol
assign (resid 584 and name N)  (resid 584 and name CA)
       (resid 584 and name CB) (resid 584 and name OG) 1.0 -60.0 30.0 2 !S584 after calc (-120+/-90 b4)
assign (resid 585 and name N)  (resid 585 and name CA)
       (resid 585 and name CB) (resid 585 and name CG) 1.0 60.0 40.0 2 !D585 changed to +/-40, phi unrestr, N-b a-b NOEs ol
assign (resid 586 and name N)  (resid 586 and name CA)
       (resid 586 and name CB) (resid 586 and name CG) 1.0 60.0 30.0 2 !D586
assign (resid 589 and name N)  (resid 589 and name CA)
       (resid 589 and name CB) (resid 589 and name CG) 1.0 -60.0 30.0 2 !E589
assign (resid 590 and name N)  (resid 590 and name CA)
       (resid 590 and name CB) (resid 590 and name CG) 1.0 -60.0 30.0 2 !W590 60 b4
assign (resid 591 and name N)  (resid 591 and name CA)
       (resid 591 and name CB) (resid 591 and name CG) 1.0 60.0 30.0 2 !E591
assign (resid 592 and name N)  (resid 592 and name CA)
       (resid 592 and name CB) (resid 592 and name OG) 1.0 180.0 30.0 2 !S592
assign (resid 593 and name N)  (resid 593 and name CA)
       (resid 593 and name CB) (resid 593 and name CG) 1.0 -60.0 30.0 2 !D593
assign (resid 595 and name N)  (resid 595 and name CA)
       (resid 595 and name CB) (resid 595 and name CG) 1.0 -60.0 30.0 2 !N595
assign (resid 596 and name N)  (resid 596 and name CA)
       (resid 596 and name CB) (resid 596 and name CG) 1.0 -60.0 30.0 2 !R596
assign (resid 597 and name N)  (resid 597 and name CA)
       (resid 597 and name CB) (resid 597 and name CG) 1.0 60.0 30.0 2 !E597
assign (resid 598 and name N)  (resid 598 and name CA)
       (resid 598 and name CB) (resid 598 and name CG) 1.0 180.0 30.0 2 !Y598
assign (resid 615 and name N)  (resid 615 and name CA)
       (resid 615 and name CB) (resid 615 and name CG) 1.0 180.0 30.0 2 !W615 -60 b4
assign (resid 616 and name N)  (resid 616 and name CA)
       (resid 616 and name CB) (resid 616 and name CG) 1.0 180.0 30.0 2 !R616 after calc
!
!chi1 for beta-methylenes where only 60 deg rotamer can be excluded
!(dihedral constraint only; not stereospecifically assigned)
!
assign (resid 543 and name N)  (resid 543 and name CA)
       (resid 543 and name CB) (resid 543 and name CG) 1.0 -120.0 90.0 2 !W543 beta shifts v. close
assign (resid 544 and name N)  (resid 544 and name CA)
       (resid 544 and name CB) (resid 544 and name CG) 1.0 -120.0 90.0 2 !E544 alpha nr h2o
assign (resid 559 and name N)  (resid 559 and name CA)
       (resid 559 and name CB) (resid 559 and name OG) 1.0 -120.0 90.0 2 !S559 beta shifts v. close
!
!chi1 of valines with J > 10 Hz
!
assign (resid 515 and name N)  (resid 515 and name CA)
       (resid 515 and name CB) (resid 515 and name CG1) 1.0 180.0 30.0 2 !g1=0.60, g2=0.96
assign (resid 517 and name N)  (resid 517 and name CA)
       (resid 517 and name CB) (resid 517 and name CG1) 1.0 180.0 30.0 2 !g1=1.14, g2=0.11
assign (resid 565 and name N)  (resid 565 and name CA)
       (resid 565 and name CB) (resid 565 and name CG1) 1.0 180.0 30.0 2 !based on NOEs, g1=1.23, g2=0.98
assign (resid 567 and name N)  (resid 567 and name CA)
       (resid 567 and name CB) (resid 567 and name CG1) 1.0 180.0 30.0 2 !hg1# hg2# v. close (not stereospec. assigned)
assign (resid 600 and name N)  (resid 600 and name CA)
       (resid 600 and name CB) (resid 600 and name CG1) 1.0 180.0 30.0 2 !g1=1.16, g2=1.47
assign (resid 611 and name N)  (resid 611 and name CA)
       (resid 611 and name CB) (resid 611 and name CG1) 1.0 180.0 30.0 2 !g1=0.88, g2=-0.06
!
!chi1 of other valines
!
assign (resid 534 and name N)  (resid 534 and name CA)
       (resid 534 and name CB) (resid 534 and name CG1) 1.0 60.0 30.0 2 !g1=0.98, g2=0.90
assign (resid 588 and name N)  (resid 588 and name CA)
       (resid 588 and name CB) (resid 588 and name CG1) 1.0 -60.0 30.0 2 !g1=0.98, g2=0.66
!
!chi1 of threonines with J > 10 Hz
!
assign (resid 511 and name N)  (resid 511 and name CA)
       (resid 511 and name CB) (resid 511 and name OG1) 1.0 180.0 30.0 2
assign (resid 526 and name N)  (resid 526 and name CA)
       (resid 526 and name CB) (resid 526 and name OG1) 1.0 180.0 30.0 2
assign (resid 566 and name N)  (resid 566 and name CA)
       (resid 566 and name CB) (resid 566 and name OG1) 1.0 180.0 30.0 2
assign (resid 606 and name N)  (resid 606 and name CA)
       (resid 606 and name CB) (resid 606 and name OG1) 1.0 180.0 30.0 2
!
!chi1 of other threonines where Jab not large
!
assign (resid 518 and name N)  (resid 518 and name CA)
       (resid 518 and name CB) (resid 518 and name OG1) 1.0 60.0 40.0 2 !180 b4 based on NOEs; changed to +/-40, NOE ol
assign (resid 522 and name N)  (resid 522 and name CA)
       (resid 522 and name CB) (resid 522 and name OG1) 1.0 60.0 40.0 2 !180 b4 based on NOEs; changed to +/-40, NOE ol
assign (resid 610 and name N)  (resid 610 and name CA)
       (resid 610 and name CB) (resid 610 and name OG1) 1.0 -60.0 30.0 2 !changed to 60+/-40, NOE ol; -60+/-30 for final
!
!chi1 of other threonines (Jab unknown/ambiguous)
!(unrestrained THR residues: 510 525 612 614)
!
assign (resid 513 and name N)  (resid 513 and name CA)
       (resid 513 and name CB) (resid 513 and name OG1) 1.0 60.0 30.0 2 !based on NOEs
assign (resid 524 and name N)  (resid 524 and name CA)
       (resid 524 and name CB) (resid 524 and name OG1) 1.0 180.0 30.0 2 
assign (resid 545 and name N)  (resid 545 and name CA)
       (resid 545 and name CB) (resid 545 and name OG1) 1.0 180.0 30.0 2 !based on NOEs
assign (resid 557 and name N)  (resid 557 and name CA)
       (resid 557 and name CB) (resid 557 and name OG1) 1.0 180.0 30.0 2 !based on NOEs
assign (resid 568 and name N)  (resid 568 and name CA)
       (resid 568 and name CB) (resid 568 and name OG1) 1.0 60.0 30.0 2
assign (resid 599 and name N)  (resid 599 and name CA)
       (resid 599 and name CB) (resid 599 and name OG1) 1.0 60.0 30.0 2
assign (resid 608 and name N)  (resid 608 and name CA)
       (resid 608 and name CB) (resid 608 and name OG1) 1.0 60.0 30.0 2 !based on NOEs
!
!chi2 restraints for leucine residues
!(L562 unconstrained, pk ol of betas)
!
assign (resid 521 and name CA) (resid 521 and name CB)
       (resid 521 and name CG) (resid 521 and name CD1) 1.0 60.0 40.0 2 !after calc, d1=0.55, d2=0.31
assign (resid 533 and name CA) (resid 533 and name CB)
       (resid 533 and name CG) (resid 533 and name CD1) 1.0 60.0 40.0 2 !after calc, d1=0.03, d2=-0.13
!assign (resid 540 and name CA) (resid 540 and name CB)
!       (resid 540 and name CG) (resid 540 and name CD1) 1.0 180.0 40.0 2 !after calc, d1=0.14, d2=0.47
assign (resid 551 and name CA) (resid 551 and name CB)
       (resid 551 and name CG) (resid 551 and name CD1) 1.0 60.0 40.0 2 !after calc, d1=1.11, d2=0.93
assign (resid 569 and name CA) (resid 569 and name CB)
       (resid 569 and name CG) (resid 569 and name CD1) 1.0 180.0 40.0 2 !after calc, d1=0.93, d2=0.71
!
end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    CYS 509          1H        CYS 509  -2.979 -22.663  -8.831
    2   2H    CYS 509          3H        CYS 509  -2.712 -21.698  -7.462
    3   3H    CYS 509          2H        CYS 509  -4.299 -22.078  -7.935
    4    HA   CYS 509           HA       CYS 509  -4.297 -20.627  -9.695
    5   1HB   CYS 509          2HB       CYS 509  -2.275 -19.185  -7.997
    6   2HB   CYS 509          1HB       CYS 509  -3.728 -18.551  -8.772
    7    H    THR 510           H        THR 510  -2.772 -18.968 -10.959
    8    HA   THR 510           HA       THR 510  -0.749 -20.631 -12.268
    9    HB   THR 510           HB       THR 510  -1.253 -17.694 -12.778
   10    HG1  THR 510           HG1      THR 510  -3.117 -18.191 -13.572
   11   1HG2  THR 510          3HG2      THR 510   0.309 -19.803 -13.993
   12   2HG2  THR 510          2HG2      THR 510  -0.877 -19.178 -15.138
   13   3HG2  THR 510          1HG2      THR 510   0.277 -18.083 -14.378
   14    H    THR 511           H        THR 511   1.517 -20.023 -12.438
   15    HA   THR 511           HA       THR 511   3.538 -19.519 -11.340
   16    HB   THR 511           HB       THR 511   2.444 -17.325 -12.414
   17    HG1  THR 511           HG1      THR 511   4.586 -17.440 -12.380
   18   1HG2  THR 511          3HG2      THR 511   2.381 -16.803  -9.447
   19   2HG2  THR 511          2HG2      THR 511   2.539 -15.499 -10.619
   20   3HG2  THR 511          1HG2      THR 511   1.113 -16.531 -10.640
   21    HA   PRO 512           HA       PRO 512   3.112 -19.747  -7.011
   22   1HB   PRO 512          2HB       PRO 512   4.252 -17.558  -5.756
   23   2HB   PRO 512          1HB       PRO 512   5.184 -18.924  -6.398
   24   1HG   PRO 512          2HG       PRO 512   4.828 -16.189  -7.539
   25   2HG   PRO 512          1HG       PRO 512   6.190 -17.310  -7.713
   26   1HD   PRO 512          2HD       PRO 512   4.243 -16.854  -9.643
   27   2HD   PRO 512          1HD       PRO 512   5.289 -18.284  -9.604
   28    H    THR 513           H        THR 513   1.234 -19.550  -6.043
   29    HA   THR 513           HA       THR 513  -0.938 -18.230  -6.785
   30    HB   THR 513           HB       THR 513  -1.868 -18.552  -4.594
   31    HG1  THR 513           HG1      THR 513  -0.673 -18.000  -2.970
   32   1HG2  THR 513          2HG2      THR 513  -0.370 -20.450  -6.038
   33   2HG2  THR 513          1HG2      THR 513   0.032 -20.729  -4.340
   34   3HG2  THR 513          3HG2      THR 513  -1.652 -20.782  -4.864
   35    H    ALA 514           H        ALA 514  -0.248 -16.373  -7.641
   36    HA   ALA 514           HA       ALA 514   0.716 -14.090  -6.137
   37   1HB   ALA 514          1HB       ALA 514   0.489 -14.826  -8.840
   38   2HB   ALA 514          3HB       ALA 514  -0.529 -13.396  -8.638
   39   3HB   ALA 514          2HB       ALA 514   1.176 -13.332  -8.193
   40    H    VAL 515           H        VAL 515  -0.484 -12.680  -4.996
   41    HA   VAL 515           HA       VAL 515  -3.368 -12.549  -5.629
   42    HB   VAL 515           HB       VAL 515  -2.081 -12.624  -2.956
   43   1HG1  VAL 515          3HG1      VAL 515  -4.462 -11.135  -3.843
   44   2HG1  VAL 515          2HG1      VAL 515  -4.774 -12.254  -2.508
   45   3HG1  VAL 515          1HG1      VAL 515  -3.540 -11.004  -2.339
   46   1HG2  VAL 515          1HG2      VAL 515  -3.752 -14.335  -4.640
   47   2HG2  VAL 515          3HG2      VAL 515  -2.817 -14.763  -3.209
   48   3HG2  VAL 515          2HG2      VAL 515  -4.440 -14.100  -3.034
   49    H    ALA 516           H        ALA 516  -3.823 -10.557  -6.479
   50    HA   ALA 516           HA       ALA 516  -2.049  -8.296  -5.926
   51   1HB   ALA 516          3HB       ALA 516  -4.671  -8.443  -7.432
   52   2HB   ALA 516          2HB       ALA 516  -3.638  -7.016  -7.334
   53   3HB   ALA 516          1HB       ALA 516  -3.056  -8.472  -8.143
   54    H    VAL 517           H        VAL 517  -2.219  -7.222  -4.082
   55    HA   VAL 517           HA       VAL 517  -4.881  -7.153  -2.713
   56    HB   VAL 517           HB       VAL 517  -2.242  -6.321  -1.502
   57   1HG1  VAL 517          1HG1      VAL 517  -5.003  -6.467  -0.637
   58   2HG1  VAL 517          3HG1      VAL 517  -3.993  -7.512   0.365
   59   3HG1  VAL 517          2HG1      VAL 517  -3.608  -5.794   0.204
   60   1HG2  VAL 517          1HG2      VAL 517  -2.851  -8.887  -2.437
   61   2HG2  VAL 517          3HG2      VAL 517  -1.614  -8.473  -1.254
   62   3HG2  VAL 517          2HG2      VAL 517  -3.222  -8.946  -0.713
   63    H    THR 518           H        THR 518  -6.047  -5.335  -2.891
   64    HA   THR 518           HA       THR 518  -4.850  -2.892  -3.934
   65    HB   THR 518           HB       THR 518  -7.350  -2.159  -3.094
   66    HG1  THR 518           HG1      THR 518  -8.432  -3.885  -2.677
   67   1HG2  THR 518          2HG2      THR 518  -6.253  -2.026  -5.374
   68   2HG2  THR 518          1HG2      THR 518  -6.801  -3.681  -5.648
   69   3HG2  THR 518          3HG2      THR 518  -7.979  -2.392  -5.395
   70    H    PHE 519           H        PHE 519  -4.512  -0.947  -2.809
   71    HA   PHE 519           HA       PHE 519  -4.697  -1.169   0.150
   72   1HB   PHE 519          2HB       PHE 519  -2.758   0.541  -1.418
   73   2HB   PHE 519          1HB       PHE 519  -2.692   0.103   0.283
   74    HD1  PHE 519           HD2      PHE 519  -2.431  -2.364   0.897
   75    HD2  PHE 519           HD1      PHE 519  -1.772  -0.831  -3.050
   76    HE1  PHE 519           HE2      PHE 519  -1.150  -4.418   0.324
   77    HE2  PHE 519           HE1      PHE 519  -0.486  -2.870  -3.626
   78    HZ   PHE 519           HZ       PHE 519  -0.176  -4.667  -1.941
   79    H    ASP 520           H        ASP 520  -6.538  -0.039   0.582
   80    HA   ASP 520           HA       ASP 520  -6.944   2.492  -0.904
   81   1HB   ASP 520          2HB       ASP 520  -9.253   2.211   0.450
   82   2HB   ASP 520          1HB       ASP 520  -8.990   1.491  -1.137
   83    H    LEU 521           H        LEU 521  -6.284   4.278   0.092
   84    HA   LEU 521           HA       LEU 521  -5.816   4.376   2.960
   85   1HB   LEU 521          2HB       LEU 521  -5.518   6.327   0.843
   86   2HB   LEU 521          1HB       LEU 521  -6.246   7.041   2.238
   87    HG   LEU 521           HG       LEU 521  -4.361   7.015   3.408
   88   1HD1  LEU 521          2HD1      LEU 521  -4.126   4.257   2.607
   89   2HD1  LEU 521          1HD1      LEU 521  -2.569   5.086   2.699
   90   3HD1  LEU 521          3HD1      LEU 521  -3.643   5.098   4.097
   91   1HD2  LEU 521          3HD2      LEU 521  -3.514   6.778   0.560
   92   2HD2  LEU 521          2HD2      LEU 521  -3.430   8.161   1.653
   93   3HD2  LEU 521          1HD2      LEU 521  -2.272   6.837   1.811
   94    H    THR 522           H        THR 522  -6.594   6.371   4.003
   95    HA   THR 522           HA       THR 522  -9.390   7.056   3.670
   96    HB   THR 522           HB       THR 522  -9.342   6.755   6.400
   97    HG1  THR 522           HG1      THR 522  -8.732   4.586   6.704
   98   1HG2  THR 522          2HG2      THR 522 -11.000   6.303   4.419
   99   2HG2  THR 522          1HG2      THR 522 -10.460   4.627   4.620
  100   3HG2  THR 522          3HG2      THR 522 -11.221   5.475   5.971
  101    H    ALA 523           H        ALA 523  -8.283   8.882   2.999
  102    HA   ALA 523           HA       ALA 523  -7.550  10.726   5.156
  103   1HB   ALA 523          2HB       ALA 523  -5.601   9.412   3.305
  104   2HB   ALA 523          1HB       ALA 523  -5.344  11.111   3.724
  105   3HB   ALA 523          3HB       ALA 523  -5.403   9.886   4.996
  106    H    THR 524           H        THR 524  -8.567  12.578   4.499
  107    HA   THR 524           HA       THR 524  -9.095  13.011   1.626
  108    HB   THR 524           HB       THR 524 -10.837  13.479   3.366
  109    HG1  THR 524           HG1      THR 524 -11.520  15.142   2.232
  110   1HG2  THR 524          3HG2      THR 524  -8.571  14.742   4.524
  111   2HG2  THR 524          2HG2      THR 524  -9.807  15.980   4.261
  112   3HG2  THR 524          1HG2      THR 524 -10.183  14.549   5.225
  113    H    THR 525           H        THR 525  -6.410  13.052   2.269
  114    HA   THR 525           HA       THR 525  -5.506  15.837   2.587
  115    HB   THR 525           HB       THR 525  -4.131  13.165   2.293
  116    HG1  THR 525           HG1      THR 525  -3.966  13.404   4.358
  117   1HG2  THR 525          1HG2      THR 525  -3.023  15.918   1.885
  118   2HG2  THR 525          3HG2      THR 525  -2.030  14.730   2.728
  119   3HG2  THR 525          2HG2      THR 525  -2.588  14.407   1.087
  120    H    THR 526           H        THR 526  -4.980  17.153   0.877
  121    HA   THR 526           HA       THR 526  -4.507  15.927  -1.797
  122    HB   THR 526           HB       THR 526  -6.939  16.543  -1.576
  123    HG1  THR 526           HG1      THR 526  -5.925  16.625  -3.604
  124   1HG2  THR 526          2HG2      THR 526  -5.728  18.854  -0.415
  125   2HG2  THR 526          1HG2      THR 526  -6.646  19.366  -1.836
  126   3HG2  THR 526          3HG2      THR 526  -7.448  18.471  -0.544
  127    H    TYR 527           H        TYR 527  -2.780  17.296   0.168
  128    HA   TYR 527           HA       TYR 527  -2.310  19.978  -0.897
  129   1HB   TYR 527          2HB       TYR 527  -1.847  18.962   1.525
  130   2HB   TYR 527          1HB       TYR 527  -0.283  18.609   0.791
  131    HD1  TYR 527           HD1      TYR 527  -0.089  20.905  -1.122
  132    HD2  TYR 527           HD2      TYR 527  -1.308  20.756   2.992
  133    HE1  TYR 527           HE1      TYR 527   0.586  23.275  -0.837
  134    HE2  TYR 527           HE2      TYR 527  -0.633  23.126   3.279
  135    HH   TYR 527           HH       TYR 527   0.221  25.132   0.575
  136    H    GLY 528           H        GLY 528  -2.100  18.164  -2.970
  137   1HA   GLY 528          2HA       GLY 528  -0.684  17.708  -4.783
  138   2HA   GLY 528          1HA       GLY 528   0.468  18.821  -4.046
  139    H    GLU 529           H        GLU 529  -0.349  16.443  -1.811
  140    HA   GLU 529           HA       GLU 529   2.265  15.131  -2.256
  141   1HB   GLU 529          2HB       GLU 529   0.437  14.260  -0.061
  142   2HB   GLU 529          1HB       GLU 529   2.186  14.489  -0.043
  143   1HG   GLU 529          2HG       GLU 529   1.300  17.043  -0.517
  144   2HG   GLU 529          1HG       GLU 529   0.035  16.417   0.539
  145    H    ASN 530           H        ASN 530   2.177  12.605  -1.788
  146    HA   ASN 530           HA       ASN 530  -0.260  11.358  -2.987
  147   1HB   ASN 530          2HB       ASN 530   1.856  11.902  -4.634
  148   2HB   ASN 530          1HB       ASN 530   2.345  10.353  -3.985
  149   1HD2  ASN 530          2HD2      ASN 530  -0.096   8.502  -5.728
  150   2HD2  ASN 530          1HD2      ASN 530   1.125   8.468  -4.552
  151    H    ILE 531           H        ILE 531  -0.499   9.245  -2.209
  152    HA   ILE 531           HA       ILE 531   1.460   8.549  -0.108
  153    HB   ILE 531           HB       ILE 531  -1.309   7.503  -0.706
  154   1HG1  ILE 531          2HG1      ILE 531  -1.413   8.447   1.777
  155   2HG1  ILE 531          1HG1      ILE 531  -0.037   9.393   1.214
  156   1HG2  ILE 531          3HG2      ILE 531   0.898   6.254   0.651
  157   2HG2  ILE 531          2HG2      ILE 531  -0.351   6.660   1.832
  158   3HG2  ILE 531          1HG2      ILE 531  -0.748   5.648   0.442
  159   1HD1  ILE 531          3HD1      ILE 531  -1.725   9.648  -0.885
  160   2HD1  ILE 531          2HD1      ILE 531  -2.863   9.581   0.458
  161   3HD1  ILE 531          1HD1      ILE 531  -1.600  10.810   0.432
  162    H    TYR 532           H        TYR 532   3.106   7.339  -0.793
  163    HA   TYR 532           HA       TYR 532   2.633   5.394  -2.946
  164   1HB   TYR 532          2HB       TYR 532   5.125   6.202  -1.486
  165   2HB   TYR 532          1HB       TYR 532   5.084   4.842  -2.576
  166    HD1  TYR 532           HD2      TYR 532   3.568   8.255  -2.657
  167    HD2  TYR 532           HD1      TYR 532   6.046   5.356  -4.629
  168    HE1  TYR 532           HE2      TYR 532   3.920   9.827  -4.560
  169    HE2  TYR 532           HE1      TYR 532   6.385   6.918  -6.522
  170    HH   TYR 532           HH       TYR 532   5.589   8.824  -7.490
  171    H    LEU 533           H        LEU 533   4.097   3.237  -2.294
  172    HA   LEU 533           HA       LEU 533   3.463   2.385   0.453
  173   1HB   LEU 533          2HB       LEU 533   1.364   1.782  -0.376
  174   2HB   LEU 533          1HB       LEU 533   1.993   1.410  -1.977
  175    HG   LEU 533           HG       LEU 533   3.186  -0.578  -0.931
  176   1HD1  LEU 533          3HD1      LEU 533   1.646   0.468   1.418
  177   2HD1  LEU 533          2HD1      LEU 533   1.846  -1.278   1.241
  178   3HD1  LEU 533          1HD1      LEU 533   3.263  -0.234   1.365
  179   1HD2  LEU 533          3HD2      LEU 533   0.635  -0.305  -1.918
  180   2HD2  LEU 533          2HD2      LEU 533   1.404  -1.847  -1.537
  181   3HD2  LEU 533          1HD2      LEU 533   0.340  -1.077  -0.358
  182    H    VAL 534           H        VAL 534   4.981   0.987   1.141
  183    HA   VAL 534           HA       VAL 534   6.482  -0.556  -0.920
  184    HB   VAL 534           HB       VAL 534   8.003   1.155  -0.299
  185   1HG1  VAL 534          3HG1      VAL 534   6.558   1.327   2.021
  186   2HG1  VAL 534          2HG1      VAL 534   8.133   0.732   2.532
  187   3HG1  VAL 534          1HG1      VAL 534   8.017   2.235   1.626
  188   1HG2  VAL 534          1HG2      VAL 534   8.630  -1.230   1.393
  189   2HG2  VAL 534          3HG2      VAL 534   9.096  -0.967  -0.285
  190   3HG2  VAL 534          2HG2      VAL 534   9.752   0.065   0.970
  191    H    GLY 535           H        GLY 535   7.668  -2.507   0.431
  192   1HA   GLY 535          2HA       GLY 535   5.663  -3.319   2.516
  193   2HA   GLY 535          1HA       GLY 535   5.943  -4.363   1.138
  194    H    SER 536           H        SER 536   6.235  -5.708   3.233
  195    HA   SER 536           HA       SER 536   8.919  -5.532   4.385
  196   1HB   SER 536          2HB       SER 536   7.515  -6.149   6.092
  197   2HB   SER 536          1HB       SER 536   6.409  -6.986   5.007
  198    HG   SER 536           HG       SER 536   8.993  -7.862   5.808
  199    H    ILE 537           H        ILE 537   8.103  -6.509   1.506
  200    HA   ILE 537           HA       ILE 537  10.070  -8.721   1.558
  201    HB   ILE 537           HB       ILE 537   8.680 -10.219   0.286
  202   1HG1  ILE 537          2HG1      ILE 537   6.457  -8.174   0.388
  203   2HG1  ILE 537          1HG1      ILE 537   7.574  -8.280  -0.971
  204   1HG2  ILE 537          1HG2      ILE 537   8.258  -9.721   2.874
  205   2HG2  ILE 537          3HG2      ILE 537   6.675  -9.228   2.270
  206   3HG2  ILE 537          2HG2      ILE 537   7.257 -10.870   1.985
  207   1HD1  ILE 537          3HD1      ILE 537   6.805 -10.925  -0.528
  208   2HD1  ILE 537          2HD1      ILE 537   5.317 -10.006  -0.299
  209   3HD1  ILE 537          1HD1      ILE 537   6.208  -9.878  -1.815
  210    H    SER 538           H        SER 538  11.121  -8.994  -0.499
  211    HA   SER 538           HA       SER 538  11.832  -6.718  -1.857
  212   1HB   SER 538          2HB       SER 538  11.535  -9.473  -3.050
  213   2HB   SER 538          1HB       SER 538  12.389  -8.134  -3.811
  214    HG   SER 538           HG       SER 538  13.440  -8.129  -1.532
  215    H    GLN 539           H        GLN 539   8.827  -8.512  -2.373
  216    HA   GLN 539           HA       GLN 539   8.091  -7.665  -4.907
  217   1HB   GLN 539          2HB       GLN 539   6.570  -8.182  -2.436
  218   2HB   GLN 539          1HB       GLN 539   5.723  -7.386  -3.742
  219   1HG   GLN 539          2HG       GLN 539   7.254  -9.989  -3.983
  220   2HG   GLN 539          1HG       GLN 539   5.498  -9.851  -3.879
  221   1HE2  GLN 539          2HE2      GLN 539   7.295  -9.340  -7.441
  222   2HE2  GLN 539          1HE2      GLN 539   8.123  -9.903  -6.070
  223    H    LEU 540           H        LEU 540   7.576  -5.804  -1.905
  224    HA   LEU 540           HA       LEU 540   6.903  -3.439  -3.508
  225   1HB   LEU 540          2HB       LEU 540   6.823  -4.033  -0.525
  226   2HB   LEU 540          1HB       LEU 540   6.752  -2.369  -1.164
  227    HG   LEU 540           HG       LEU 540   4.862  -3.038  -2.652
  228   1HD1  LEU 540          1HD1      LEU 540   5.348  -5.677  -1.306
  229   2HD1  LEU 540          3HD1      LEU 540   3.766  -5.275  -1.974
  230   3HD1  LEU 540          2HD1      LEU 540   5.178  -5.325  -3.023
  231   1HD2  LEU 540          3HD2      LEU 540   4.403  -3.668   0.278
  232   2HD2  LEU 540          2HD2      LEU 540   4.375  -2.059  -0.443
  233   3HD2  LEU 540          1HD2      LEU 540   3.153  -3.249  -0.891
  234    H    GLY 541           H        GLY 541   9.563  -4.534  -3.651
  235   1HA   GLY 541          2HA       GLY 541  11.694  -3.572  -3.936
  236   2HA   GLY 541          1HA       GLY 541  11.052  -2.067  -3.286
  237    H    ASP 542           H        ASP 542  10.590  -4.941  -1.433
  238    HA   ASP 542           HA       ASP 542  11.596  -5.742   0.518
  239   1HB   ASP 542          2HB       ASP 542  13.828  -4.131  -0.596
  240   2HB   ASP 542          1HB       ASP 542  13.905  -4.558   1.108
  241    H    TRP 543           H        TRP 543  12.371  -2.335   0.391
  242    HA   TRP 543           HA       TRP 543  10.423  -1.463   2.174
  243   1HB   TRP 543          2HB       TRP 543  12.992  -2.307   3.462
  244   2HB   TRP 543          1HB       TRP 543  12.220  -0.825   4.048
  245    HD1  TRP 543           HD1      TRP 543  12.297  -4.073   5.219
  246    HE1  TRP 543           HE1      TRP 543  10.024  -4.980   6.039
  247    HE3  TRP 543           HE3      TRP 543   9.165  -0.623   3.157
  248    HZ2  TRP 543           HZ2      TRP 543   7.235  -4.334   5.765
  249    HZ3  TRP 543           HZ3      TRP 543   6.716  -0.798   3.443
  250    HH2  TRP 543           HH2      TRP 543   5.763  -2.659   4.772
  251    H    GLU 544           H        GLU 544  11.333  -0.643  -0.228
  252    HA   GLU 544           HA       GLU 544  12.764   1.893   0.482
  253   1HB   GLU 544          2HB       GLU 544  12.892   0.130  -1.935
  254   2HB   GLU 544          1HB       GLU 544  13.099   1.871  -2.143
  255   1HG   GLU 544          2HG       GLU 544  15.127   1.881  -1.108
  256   2HG   GLU 544          1HG       GLU 544  14.622   0.702   0.102
  257    H    THR 545           H        THR 545  11.593   3.714   0.155
  258    HA   THR 545           HA       THR 545   8.847   3.353  -0.757
  259    HB   THR 545           HB       THR 545   8.919   4.943   0.965
  260    HG1  THR 545           HG1      THR 545   9.308   6.658  -1.243
  261   1HG2  THR 545          2HG2      THR 545  11.529   5.697  -0.284
  262   2HG2  THR 545          1HG2      THR 545  10.680   6.907   0.678
  263   3HG2  THR 545          3HG2      THR 545  11.146   5.372   1.406
  264    H    SER 546           H        SER 546  11.886   4.503  -2.041
  265    HA   SER 546           HA       SER 546  10.724   5.816  -4.342
  266   1HB   SER 546          2HB       SER 546  13.273   5.417  -5.031
  267   2HB   SER 546          1HB       SER 546  12.814   6.711  -3.941
  268    HG   SER 546           HG       SER 546  14.334   4.536  -3.497
  269    H    ASP 547           H        ASP 547  11.340   2.673  -3.364
  270    HA   ASP 547           HA       ASP 547  11.223   1.664  -6.154
  271   1HB   ASP 547          2HB       ASP 547  12.064   0.184  -3.650
  272   2HB   ASP 547          1HB       ASP 547  12.098  -0.456  -5.289
  273    H    GLY 548           H        GLY 548   9.532   2.109  -3.299
  274   1HA   GLY 548          2HA       GLY 548   7.730  -0.121  -3.334
  275   2HA   GLY 548          1HA       GLY 548   7.387   1.451  -2.589
  276    H    ILE 549           H        ILE 549   5.428   2.113  -3.511
  277    HA   ILE 549           HA       ILE 549   5.470   2.659  -6.382
  278    HB   ILE 549           HB       ILE 549   3.539   0.622  -5.236
  279   1HG1  ILE 549          2HG1      ILE 549   5.629   0.525  -7.433
  280   2HG1  ILE 549          1HG1      ILE 549   5.663  -0.353  -5.903
  281   1HG2  ILE 549          2HG2      ILE 549   3.119   2.566  -7.286
  282   2HG2  ILE 549          1HG2      ILE 549   3.256   0.987  -8.058
  283   3HG2  ILE 549          3HG2      ILE 549   2.050   1.251  -6.798
  284   1HD1  ILE 549          1HD1      ILE 549   3.440  -1.402  -6.635
  285   2HD1  ILE 549          3HD1      ILE 549   3.789  -0.757  -8.239
  286   3HD1  ILE 549          2HD1      ILE 549   4.881  -1.932  -7.504
  287    H    ALA 550           H        ALA 550   4.450   4.546  -6.694
  288    HA   ALA 550           HA       ALA 550   3.055   5.905  -4.617
  289   1HB   ALA 550          3HB       ALA 550   4.033   6.631  -7.073
  290   2HB   ALA 550          2HB       ALA 550   2.287   6.692  -7.323
  291   3HB   ALA 550          1HB       ALA 550   3.026   7.646  -6.038
  292    H    LEU 551           H        LEU 551   0.811   6.241  -4.315
  293    HA   LEU 551           HA       LEU 551  -0.793   4.082  -5.540
  294   1HB   LEU 551          2HB       LEU 551  -1.100   5.670  -3.012
  295   2HB   LEU 551          1HB       LEU 551  -2.459   4.806  -3.680
  296    HG   LEU 551           HG       LEU 551  -0.761   2.791  -3.755
  297   1HD1  LEU 551          1HD1      LEU 551   1.075   4.362  -2.974
  298   2HD1  LEU 551          3HD1      LEU 551   0.265   4.388  -1.411
  299   3HD1  LEU 551          2HD1      LEU 551   0.898   2.875  -2.050
  300   1HD2  LEU 551          2HD2      LEU 551  -2.136   3.871  -1.275
  301   2HD2  LEU 551          1HD2      LEU 551  -2.828   2.769  -2.468
  302   3HD2  LEU 551          3HD2      LEU 551  -1.517   2.224  -1.418
  303    H    SER 552           H        SER 552  -3.337   5.032  -5.227
  304    HA   SER 552           HA       SER 552  -3.406   7.640  -6.625
  305   1HB   SER 552          2HB       SER 552  -3.432   5.826  -8.267
  306   2HB   SER 552          1HB       SER 552  -4.928   5.256  -7.573
  307    HG   SER 552           HG       SER 552  -5.496   6.601  -9.221
  308    H    ALA 553           H        ALA 553  -6.058   7.929  -7.033
  309    HA   ALA 553           HA       ALA 553  -7.401   7.289  -4.471
  310   1HB   ALA 553          3HB       ALA 553  -6.146   9.715  -4.961
  311   2HB   ALA 553          2HB       ALA 553  -7.825  10.031  -5.412
  312   3HB   ALA 553          1HB       ALA 553  -7.441   9.457  -3.794
  313    H    ASP 554           H        ASP 554  -8.087   5.944  -6.645
  314    HA   ASP 554           HA       ASP 554  -9.776   7.163  -8.535
  315   1HB   ASP 554          2HB       ASP 554 -10.157   5.028  -9.251
  316   2HB   ASP 554          1HB       ASP 554  -8.743   4.733  -8.274
  317    H    LYS 555           H        LYS 555 -10.610   5.729  -5.363
  318    HA   LYS 555           HA       LYS 555 -13.342   6.884  -5.728
  319   1HB   LYS 555          2HB       LYS 555 -12.382   4.361  -4.641
  320   2HB   LYS 555          1HB       LYS 555 -13.433   5.210  -3.505
  321   1HG   LYS 555          2HG       LYS 555 -15.245   5.229  -5.000
  322   2HG   LYS 555          1HG       LYS 555 -14.211   4.947  -6.401
  323   1HD   LYS 555          2HD       LYS 555 -14.724   2.760  -6.209
  324   2HD   LYS 555          1HD       LYS 555 -13.743   2.747  -4.742
  325   1HE   LYS 555          2HE       LYS 555 -16.471   3.820  -4.387
  326   2HE   LYS 555          1HE       LYS 555 -16.403   2.109  -4.810
  327   1HZ   LYS 555          1HZ       LYS 555 -14.764   3.307  -2.650
  328   2HZ   LYS 555          3HZ       LYS 555 -16.293   2.622  -2.377
  329   3HZ   LYS 555          2HZ       LYS 555 -15.024   1.658  -2.967
  330    H    TYR 556           H        TYR 556 -10.747   8.146  -4.687
  331    HA   TYR 556           HA       TYR 556 -11.748   8.948  -1.989
  332   1HB   TYR 556          2HB       TYR 556  -9.586   8.100  -1.669
  333   2HB   TYR 556          1HB       TYR 556  -9.019   8.688  -3.210
  334    HD1  TYR 556           HD2      TYR 556 -10.909  11.093  -1.152
  335    HD2  TYR 556           HD1      TYR 556  -6.993   9.504  -1.985
  336    HE1  TYR 556           HE2      TYR 556  -9.909  13.011  -0.036
  337    HE2  TYR 556           HE1      TYR 556  -5.998  11.488  -0.894
  338    HH   TYR 556           HH       TYR 556  -7.352  14.192  -0.500
  339    H    THR 557           H        THR 557 -12.825  10.855  -2.103
  340    HA   THR 557           HA       THR 557 -11.595  13.038  -3.667
  341    HB   THR 557           HB       THR 557 -13.149  12.492  -5.301
  342    HG1  THR 557           HG1      THR 557 -13.629  14.577  -4.076
  343   1HG2  THR 557          1HG2      THR 557 -14.472  11.172  -3.045
  344   2HG2  THR 557          3HG2      THR 557 -15.606  11.907  -4.179
  345   3HG2  THR 557          2HG2      THR 557 -14.435  10.718  -4.748
  346    H    SER 558           H        SER 558 -14.804  12.802  -2.101
  347    HA   SER 558           HA       SER 558 -13.793  14.706  -0.032
  348   1HB   SER 558          2HB       SER 558 -14.995  15.983  -1.769
  349   2HB   SER 558          1HB       SER 558 -16.405  14.950  -1.553
  350    HG   SER 558           HG       SER 558 -15.708  17.112  -0.179
  351    H    SER 559           H        SER 559 -16.477  12.517  -0.942
  352    HA   SER 559           HA       SER 559 -17.550  12.393   1.735
  353   1HB   SER 559          2HB       SER 559 -17.855  10.630  -0.699
  354   2HB   SER 559          1HB       SER 559 -18.656  10.265   0.827
  355    HG   SER 559           HG       SER 559 -18.840  12.842  -0.281
  356    H    ASP 560           H        ASP 560 -16.324   9.548   0.032
  357    HA   ASP 560           HA       ASP 560 -14.901   8.782   2.545
  358   1HB   ASP 560          2HB       ASP 560 -16.715   7.253   1.654
  359   2HB   ASP 560          1HB       ASP 560 -15.693   6.978   0.242
  360    HA   PRO 561           HA       PRO 561 -11.458   9.688  -0.235
  361   1HB   PRO 561          2HB       PRO 561  -9.717  10.275   1.791
  362   2HB   PRO 561          1HB       PRO 561 -10.837  11.462   1.089
  363   1HG   PRO 561          2HG       PRO 561 -10.942  10.069   3.700
  364   2HG   PRO 561          1HG       PRO 561 -11.678  11.610   3.209
  365   1HD   PRO 561          2HD       PRO 561 -13.022   9.103   3.461
  366   2HD   PRO 561          1HD       PRO 561 -13.679  10.580   2.721
  367    H    LEU 562           H        LEU 562 -11.073   7.416  -0.796
  368    HA   LEU 562           HA       LEU 562  -9.072   6.307   1.054
  369   1HB   LEU 562          2HB       LEU 562  -9.768   3.967   0.188
  370   2HB   LEU 562          1HB       LEU 562 -10.767   4.723   1.419
  371    HG   LEU 562           HG       LEU 562 -12.147   3.704  -0.292
  372   1HD1  LEU 562          1HD1      LEU 562 -12.419   6.313   0.579
  373   2HD1  LEU 562          3HD1      LEU 562 -12.585   6.458  -1.172
  374   3HD1  LEU 562          2HD1      LEU 562 -13.648   5.380  -0.274
  375   1HD2  LEU 562          2HD2      LEU 562 -10.197   4.075  -2.001
  376   2HD2  LEU 562          1HD2      LEU 562 -11.875   4.021  -2.555
  377   3HD2  LEU 562          3HD2      LEU 562 -11.073   5.576  -2.363
  378    H    TRP 563           H        TRP 563  -7.179   5.826   0.210
  379    HA   TRP 563           HA       TRP 563  -6.696   6.584  -2.552
  380   1HB   TRP 563          2HB       TRP 563  -4.961   5.529  -0.402
  381   2HB   TRP 563          1HB       TRP 563  -4.402   5.476  -2.035
  382    HD1  TRP 563           HD1      TRP 563  -5.884   8.304   0.340
  383    HE1  TRP 563           HE1      TRP 563  -4.714  10.457  -0.417
  384    HE3  TRP 563           HE3      TRP 563  -3.176   6.516  -3.539
  385    HZ2  TRP 563           HZ2      TRP 563  -2.934  11.348  -2.498
  386    HZ3  TRP 563           HZ3      TRP 563  -1.773   8.034  -4.904
  387    HH2  TRP 563           HH2      TRP 563  -1.678  10.385  -4.423
  388    H    TYR 564           H        TYR 564  -4.969   4.662  -3.600
  389    HA   TYR 564           HA       TYR 564  -6.362   2.083  -3.351
  390   1HB   TYR 564          2HB       TYR 564  -7.235   4.135  -5.074
  391   2HB   TYR 564          1HB       TYR 564  -6.609   2.804  -6.051
  392    HD1  TYR 564           HD1      TYR 564  -7.301   0.421  -5.245
  393    HD2  TYR 564           HD2      TYR 564  -9.319   4.093  -4.366
  394    HE1  TYR 564           HE1      TYR 564  -9.419  -0.826  -4.810
  395    HE2  TYR 564           HE2      TYR 564 -11.384   2.903  -3.944
  396    HH   TYR 564           HH       TYR 564 -11.517  -0.660  -3.943
  397    H    VAL 565           H        VAL 565  -5.001   0.534  -3.841
  398    HA   VAL 565           HA       VAL 565  -3.574   0.555  -6.315
  399    HB   VAL 565           HB       VAL 565  -2.019   1.123  -3.838
  400   1HG1  VAL 565          3HG1      VAL 565  -1.095  -1.031  -4.757
  401   2HG1  VAL 565          2HG1      VAL 565  -0.867  -0.205  -6.298
  402   3HG1  VAL 565          1HG1      VAL 565   0.023   0.328  -4.875
  403   1HG2  VAL 565          1HG2      VAL 565  -2.353   2.046  -6.610
  404   2HG2  VAL 565          3HG2      VAL 565  -2.209   2.967  -5.117
  405   3HG2  VAL 565          2HG2      VAL 565  -0.770   2.250  -5.862
  406    H    THR 566           H        THR 566  -3.240  -1.459  -7.036
  407    HA   THR 566           HA       THR 566  -3.490  -3.600  -4.988
  408    HB   THR 566           HB       THR 566  -5.096  -3.366  -7.116
  409    HG1  THR 566           HG1      THR 566  -3.982  -5.618  -5.869
  410   1HG2  THR 566          2HG2      THR 566  -3.201  -3.456  -8.727
  411   2HG2  THR 566          1HG2      THR 566  -2.811  -5.069  -8.129
  412   3HG2  THR 566          3HG2      THR 566  -4.342  -4.782  -8.959
  413    H    VAL 567           H        VAL 567  -1.503  -4.250  -4.406
  414    HA   VAL 567           HA       VAL 567   0.614  -4.394  -6.493
  415    HB   VAL 567           HB       VAL 567   0.786  -4.259  -3.470
  416   1HG1  VAL 567          2HG1      VAL 567   2.307  -6.062  -4.360
  417   2HG1  VAL 567          1HG1      VAL 567   3.054  -4.856  -5.408
  418   3HG1  VAL 567          3HG1      VAL 567   3.192  -4.704  -3.656
  419   1HG2  VAL 567          2HG2      VAL 567   1.081  -2.406  -5.645
  420   2HG2  VAL 567          1HG2      VAL 567   1.242  -2.094  -3.916
  421   3HG2  VAL 567          3HG2      VAL 567   2.646  -2.603  -4.856
  422    H    THR 568           H        THR 568   1.091  -6.422  -7.211
  423    HA   THR 568           HA       THR 568  -0.306  -8.713  -6.377
  424    HB   THR 568           HB       THR 568   1.947  -9.821  -7.328
  425    HG1  THR 568           HG1      THR 568   2.446  -8.020  -9.007
  426   1HG2  THR 568          2HG2      THR 568  -0.306  -9.911  -8.348
  427   2HG2  THR 568          1HG2      THR 568  -0.054  -8.296  -9.014
  428   3HG2  THR 568          3HG2      THR 568   0.947  -9.642  -9.562
  429    H    LEU 569           H        LEU 569   0.450 -10.590  -5.215
  430    HA   LEU 569           HA       LEU 569   2.791 -10.405  -3.484
  431   1HB   LEU 569          2HB       LEU 569  -0.008 -10.188  -2.331
  432   2HB   LEU 569          1HB       LEU 569   1.398 -10.642  -1.371
  433    HG   LEU 569           HG       LEU 569   0.985  -8.027  -2.858
  434   1HD1  LEU 569          1HD1      LEU 569   0.085  -8.758  -0.365
  435   2HD1  LEU 569          3HD1      LEU 569   1.672  -8.088   0.020
  436   3HD1  LEU 569          2HD1      LEU 569   0.485  -7.093  -0.823
  437   1HD2  LEU 569          3HD2      LEU 569   3.349  -8.838  -2.976
  438   2HD2  LEU 569          2HD2      LEU 569   3.186  -7.392  -1.996
  439   3HD2  LEU 569          1HD2      LEU 569   3.362  -8.965  -1.222
  440    HA   PRO 570           HA       PRO 570   1.367 -14.611  -4.584
  441   1HB   PRO 570          2HB       PRO 570   3.732 -15.386  -5.750
  442   2HB   PRO 570          1HB       PRO 570   2.431 -14.579  -6.643
  443   1HG   PRO 570          2HG       PRO 570   5.041 -13.477  -5.731
  444   2HG   PRO 570          1HG       PRO 570   3.995 -12.935  -7.053
  445   1HD   PRO 570          2HD       PRO 570   4.221 -11.744  -4.477
  446   2HD   PRO 570          1HD       PRO 570   3.017 -11.352  -5.720
  447    H    ALA 571           H        ALA 571   2.336 -16.692  -3.953
  448    HA   ALA 571           HA       ALA 571   3.417 -18.093  -2.407
  449   1HB   ALA 571          3HB       ALA 571   5.212 -15.858  -2.720
  450   2HB   ALA 571          2HB       ALA 571   5.176 -16.367  -1.031
  451   3HB   ALA 571          1HB       ALA 571   5.587 -17.527  -2.294
  452    H    GLY 572           H        GLY 572   1.319 -17.963  -1.358
  453   1HA   GLY 572          2HA       GLY 572   0.039 -16.435   0.349
  454   2HA   GLY 572          1HA       GLY 572   0.400 -18.072   0.880
  455    H    GLU 573           H        GLU 573   0.368 -15.196   2.188
  456    HA   GLU 573           HA       GLU 573   2.391 -15.771   4.145
  457   1HB   GLU 573          2HB       GLU 573   3.415 -14.780   1.764
  458   2HB   GLU 573          1HB       GLU 573   3.324 -13.359   2.803
  459   1HG   GLU 573          2HG       GLU 573   5.362 -14.137   3.522
  460   2HG   GLU 573          1HG       GLU 573   4.345 -15.122   4.574
  461    H    SER 574           H        SER 574   2.348 -14.311   5.883
  462    HA   SER 574           HA       SER 574   0.089 -12.403   5.868
  463   1HB   SER 574          2HB       SER 574   0.139 -13.555   7.913
  464   2HB   SER 574          1HB       SER 574   1.899 -13.568   7.974
  465    HG   SER 574           HG       SER 574   1.870 -11.661   8.878
  466    H    PHE 575           H        PHE 575   1.879 -11.615   4.092
  467    HA   PHE 575           HA       PHE 575   4.139 -10.214   4.498
  468   1HB   PHE 575          2HB       PHE 575   1.737  -9.174   2.961
  469   2HB   PHE 575          1HB       PHE 575   3.420  -8.706   2.699
  470    HD1  PHE 575           HD1      PHE 575   5.044 -10.279   1.781
  471    HD2  PHE 575           HD2      PHE 575   0.897 -11.410   2.186
  472    HE1  PHE 575           HE1      PHE 575   5.415 -12.212   0.281
  473    HE2  PHE 575           HE2      PHE 575   1.295 -13.336   0.694
  474    HZ   PHE 575           HZ       PHE 575   3.542 -13.739  -0.263
  475    H    GLU 576           H        GLU 576   4.606  -7.908   4.913
  476    HA   GLU 576           HA       GLU 576   2.646  -6.594   6.756
  477   1HB   GLU 576          2HB       GLU 576   5.504  -6.099   7.311
  478   2HB   GLU 576          1HB       GLU 576   4.169  -6.355   8.432
  479   1HG   GLU 576          2HG       GLU 576   4.229  -8.792   7.881
  480   2HG   GLU 576          1HG       GLU 576   5.647  -8.496   6.876
  481    H    TYR 577           H        TYR 577   2.014  -4.988   5.360
  482    HA   TYR 577           HA       TYR 577   4.159  -3.410   4.000
  483   1HB   TYR 577          2HB       TYR 577   1.265  -3.936   3.294
  484   2HB   TYR 577          1HB       TYR 577   2.215  -2.676   2.509
  485    HD1  TYR 577           HD2      TYR 577   4.560  -5.065   3.348
  486    HD2  TYR 577           HD1      TYR 577   1.309  -4.507   0.606
  487    HE1  TYR 577           HE2      TYR 577   5.572  -6.719   1.837
  488    HE2  TYR 577           HE1      TYR 577   2.346  -6.153  -0.925
  489    HH   TYR 577           HH       TYR 577   4.634  -8.307  -0.019
  490    H    LYS 578           H        LYS 578   3.974  -1.115   3.945
  491    HA   LYS 578           HA       LYS 578   1.996   0.079   5.795
  492   1HB   LYS 578          2HB       LYS 578   4.236   1.503   6.482
  493   2HB   LYS 578          1HB       LYS 578   3.538   0.204   7.439
  494   1HG   LYS 578          2HG       LYS 578   5.513  -0.861   7.251
  495   2HG   LYS 578          1HG       LYS 578   5.157  -1.102   5.548
  496   1HD   LYS 578          2HD       LYS 578   6.505   1.361   6.668
  497   2HD   LYS 578          1HD       LYS 578   7.355   0.010   5.924
  498   1HE   LYS 578          2HE       LYS 578   7.073   1.101   3.981
  499   2HE   LYS 578          1HE       LYS 578   5.384   0.616   4.075
  500   1HZ   LYS 578          3HZ       LYS 578   5.332   2.744   5.630
  501   2HZ   LYS 578          2HZ       LYS 578   6.619   3.198   4.617
  502   3HZ   LYS 578          1HZ       LYS 578   5.098   2.836   3.953
  503    H    PHE 579           H        PHE 579   2.010   2.480   5.654
  504    HA   PHE 579           HA       PHE 579   2.295   3.265   2.833
  505   1HB   PHE 579          2HB       PHE 579   0.642   4.826   3.261
  506   2HB   PHE 579          1HB       PHE 579   0.274   3.650   4.499
  507    HD1  PHE 579           HD2      PHE 579   2.192   6.802   3.915
  508    HD2  PHE 579           HD1      PHE 579   0.291   4.223   6.778
  509    HE1  PHE 579           HE2      PHE 579   2.538   8.506   5.684
  510    HE2  PHE 579           HE1      PHE 579   0.637   5.928   8.544
  511    HZ   PHE 579           HZ       PHE 579   1.760   8.070   7.997
  512    H    ILE 580           H        ILE 580   3.075   5.456   2.317
  513    HA   ILE 580           HA       ILE 580   5.263   6.520   4.105
  514    HB   ILE 580           HB       ILE 580   6.282   6.867   1.601
  515   1HG1  ILE 580          2HG1      ILE 580   5.204   4.046   1.624
  516   2HG1  ILE 580          1HG1      ILE 580   4.427   5.360   0.728
  517   1HG2  ILE 580          2HG2      ILE 580   7.045   5.626   3.906
  518   2HG2  ILE 580          1HG2      ILE 580   7.088   4.299   2.742
  519   3HG2  ILE 580          3HG2      ILE 580   8.014   5.775   2.428
  520   1HD1  ILE 580          1HD1      ILE 580   6.707   5.793  -0.328
  521   2HD1  ILE 580          3HD1      ILE 580   7.208   4.243   0.342
  522   3HD1  ILE 580          2HD1      ILE 580   5.895   4.309  -0.834
  523    H    ARG 581           H        ARG 581   5.401   8.770   3.938
  524    HA   ARG 581           HA       ARG 581   3.316  10.159   2.357
  525   1HB   ARG 581          2HB       ARG 581   5.353  11.378   4.249
  526   2HB   ARG 581          1HB       ARG 581   3.837  12.096   3.713
  527   1HG   ARG 581          2HG       ARG 581   2.648  10.155   4.850
  528   2HG   ARG 581          1HG       ARG 581   4.200   9.724   5.561
  529   1HD   ARG 581          2HD       ARG 581   3.901  11.270   7.164
  530   2HD   ARG 581          1HD       ARG 581   3.804  12.531   5.934
  531    HE   ARG 581           HE       ARG 581   1.285  11.473   5.857
  532   1HH1  ARG 581          2HH1      ARG 581   3.028  13.554   7.810
  533   2HH1  ARG 581          1HH1      ARG 581   1.900  13.559   9.123
  534   1HH2  ARG 581          1HH2      ARG 581  -0.045  11.005   7.813
  535   2HH2  ARG 581          2HH2      ARG 581   0.160  12.116   9.125
  536    H    ILE 582           H        ILE 582   4.088  10.248   0.210
  537    HA   ILE 582           HA       ILE 582   6.944  11.001  -0.106
  538    HB   ILE 582           HB       ILE 582   4.972   9.871  -2.108
  539   1HG1  ILE 582          2HG1      ILE 582   6.367   7.828  -1.914
  540   2HG1  ILE 582          1HG1      ILE 582   7.351   8.609  -0.681
  541   1HG2  ILE 582          3HG2      ILE 582   6.961  11.418  -2.884
  542   2HG2  ILE 582          2HG2      ILE 582   7.952  10.006  -2.518
  543   3HG2  ILE 582          1HG2      ILE 582   6.657   9.891  -3.713
  544   1HD1  ILE 582          1HD1      ILE 582   4.392   8.501  -0.288
  545   2HD1  ILE 582          3HD1      ILE 582   5.344   7.052   0.022
  546   3HD1  ILE 582          2HD1      ILE 582   5.684   8.530   0.911
  547    H    GLU 583           H        GLU 583   7.440  12.991  -0.553
  548    HA   GLU 583           HA       GLU 583   5.540  15.064  -1.162
  549   1HB   GLU 583          2HB       GLU 583   8.421  14.778  -0.657
  550   2HB   GLU 583          1HB       GLU 583   8.047  16.060  -1.801
  551   1HG   GLU 583          2HG       GLU 583   6.575  17.135  -0.217
  552   2HG   GLU 583          1HG       GLU 583   6.650  15.750   0.872
  553    H    SER 584           H        SER 584   6.545  16.588  -3.159
  554    HA   SER 584           HA       SER 584   5.704  15.292  -5.539
  555   1HB   SER 584          2HB       SER 584   7.325  17.773  -5.017
  556   2HB   SER 584          1HB       SER 584   7.059  17.209  -6.664
  557    HG   SER 584           HG       SER 584   4.864  17.356  -4.944
  558    H    ASP 585           H        ASP 585   8.579  15.137  -3.794
  559    HA   ASP 585           HA       ASP 585   9.989  13.798  -6.055
  560   1HB   ASP 585          2HB       ASP 585  12.045  14.212  -4.552
  561   2HB   ASP 585          1HB       ASP 585  11.342  15.621  -5.348
  562    H    ASP 586           H        ASP 586  11.830  12.369  -4.611
  563    HA   ASP 586           HA       ASP 586  10.170  10.245  -3.503
  564   1HB   ASP 586          2HB       ASP 586  12.265   8.943  -3.463
  565   2HB   ASP 586          1HB       ASP 586  12.012   9.690  -5.041
  566    H    SER 587           H        SER 587  11.014  12.957  -2.048
  567    HA   SER 587           HA       SER 587  12.354  11.861   0.340
  568   1HB   SER 587          2HB       SER 587  10.918  14.506  -0.105
  569   2HB   SER 587          1HB       SER 587  11.837  14.089   1.338
  570    HG   SER 587           HG       SER 587  12.816  15.256  -0.676
  571    H    VAL 588           H        VAL 588  11.158  11.031   2.190
  572    HA   VAL 588           HA       VAL 588   8.269  11.585   2.119
  573    HB   VAL 588           HB       VAL 588   7.513   9.467   1.565
  574   1HG1  VAL 588          2HG1      VAL 588  10.210   9.706   0.287
  575   2HG1  VAL 588          1HG1      VAL 588   9.077   8.407  -0.085
  576   3HG1  VAL 588          3HG1      VAL 588   8.632  10.085  -0.412
  577   1HG2  VAL 588          3HG2      VAL 588   9.995   8.517   2.887
  578   2HG2  VAL 588          2HG2      VAL 588   8.323   7.992   3.088
  579   3HG2  VAL 588          1HG2      VAL 588   9.225   7.502   1.663
  580    H    GLU 589           H        GLU 589   7.171   9.944   3.651
  581    HA   GLU 589           HA       GLU 589   8.660   9.681   6.216
  582   1HB   GLU 589          2HB       GLU 589   5.791  10.637   5.888
  583   2HB   GLU 589          1HB       GLU 589   6.567  10.279   7.427
  584   1HG   GLU 589          2HG       GLU 589   8.364  12.004   6.633
  585   2HG   GLU 589          1HG       GLU 589   7.101  12.546   5.525
  586    H    TRP 590           H        TRP 590   7.395   8.005   7.594
  587    HA   TRP 590           HA       TRP 590   6.357   6.032   5.649
  588   1HB   TRP 590          2HB       TRP 590   8.773   6.166   7.311
  589   2HB   TRP 590          1HB       TRP 590   7.982   4.640   7.184
  590    HD1  TRP 590           HD1      TRP 590   9.029   7.392   4.698
  591    HE1  TRP 590           HE1      TRP 590  10.140   6.244   2.689
  592    HE3  TRP 590           HE3      TRP 590   8.334   2.544   6.032
  593    HZ2  TRP 590           HZ2      TRP 590  10.663   3.569   1.761
  594    HZ3  TRP 590           HZ3      TRP 590   9.149   0.701   4.576
  595    HH2  TRP 590           HH2      TRP 590  10.297   1.212   2.435
  596    H    GLU 591           H        GLU 591   6.116   3.947   6.833
  597    HA   GLU 591           HA       GLU 591   3.931   3.457   8.236
  598   1HB   GLU 591          2HB       GLU 591   5.410   1.860   9.719
  599   2HB   GLU 591          1HB       GLU 591   5.294   1.551   8.011
  600   1HG   GLU 591          2HG       GLU 591   7.387   2.767   7.622
  601   2HG   GLU 591          1HG       GLU 591   7.488   3.149   9.341
  602    H    SER 592           H        SER 592   3.000   3.960  10.189
  603    HA   SER 592           HA       SER 592   4.446   5.633  12.110
  604   1HB   SER 592          2HB       SER 592   1.875   5.563  11.835
  605   2HB   SER 592          1HB       SER 592   1.939   3.986  12.615
  606    HG   SER 592           HG       SER 592   1.673   6.086  13.905
  607    H    ASP 593           H        ASP 593   3.236   3.518  14.193
  608    HA   ASP 593           HA       ASP 593   5.705   1.891  14.064
  609   1HB   ASP 593          2HB       ASP 593   3.739   2.496  16.203
  610   2HB   ASP 593          1HB       ASP 593   4.522   0.913  16.237
  611    HA   PRO 594           HA       PRO 594   2.544  -1.605  14.062
  612   1HB   PRO 594          2HB       PRO 594  -0.120  -0.979  14.032
  613   2HB   PRO 594          1HB       PRO 594   0.801  -1.300  15.509
  614   1HG   PRO 594          2HG       PRO 594  -0.108   1.325  14.392
  615   2HG   PRO 594          1HG       PRO 594   0.130   0.849  16.084
  616   1HD   PRO 594          2HD       PRO 594   1.926   2.398  14.623
  617   2HD   PRO 594          1HD       PRO 594   2.342   1.459  16.071
  618    H    ASN 595           H        ASN 595   3.368  -1.607  11.996
  619    HA   ASN 595           HA       ASN 595   2.258  -0.154   9.762
  620   1HB   ASN 595          2HB       ASN 595   3.560  -2.873   9.493
  621   2HB   ASN 595          1HB       ASN 595   3.552  -1.552   8.331
  622   1HD2  ASN 595          2HD2      ASN 595   6.892  -1.326   9.773
  623   2HD2  ASN 595          1HD2      ASN 595   6.037  -2.259   8.637
  624    H    ARG 596           H        ARG 596   1.879  -2.514   7.978
  625    HA   ARG 596           HA       ARG 596  -0.700  -3.542   9.075
  626   1HB   ARG 596          2HB       ARG 596  -0.144  -2.362   6.343
  627   2HB   ARG 596          1HB       ARG 596  -1.536  -3.400   6.655
  628   1HG   ARG 596          2HG       ARG 596  -1.158  -1.232   8.623
  629   2HG   ARG 596          1HG       ARG 596  -1.543  -0.684   6.991
  630   1HD   ARG 596          2HD       ARG 596  -3.698  -1.074   7.609
  631   2HD   ARG 596          1HD       ARG 596  -3.301  -2.762   7.282
  632    HE   ARG 596           HE       ARG 596  -3.601  -3.125   9.580
  633   1HH1  ARG 596          1HH2      ARG 596  -4.231   0.051   9.394
  634   2HH1  ARG 596          2HH2      ARG 596  -3.454   0.529  10.867
  635   1HH2  ARG 596          1HH1      ARG 596  -2.099  -0.919  11.952
  636   2HH2  ARG 596          2HH1      ARG 596  -1.838  -2.507  11.310
  637    H    GLU 597           H        GLU 597  -1.420  -5.394   7.347
  638    HA   GLU 597           HA       GLU 597   0.861  -6.852   6.255
  639   1HB   GLU 597          2HB       GLU 597   0.565  -8.839   7.706
  640   2HB   GLU 597          1HB       GLU 597   1.053  -7.427   8.643
  641   1HG   GLU 597          2HG       GLU 597  -1.572  -7.080   8.848
  642   2HG   GLU 597          1HG       GLU 597  -1.595  -8.817   8.546
  643    H    TYR 598           H        TYR 598   0.194  -8.617   4.937
  644    HA   TYR 598           HA       TYR 598  -2.748  -8.920   4.648
  645   1HB   TYR 598          2HB       TYR 598  -1.888  -7.479   2.794
  646   2HB   TYR 598          1HB       TYR 598  -0.863  -8.824   2.316
  647    HD1  TYR 598           HD1      TYR 598  -4.449  -7.950   2.969
  648    HD2  TYR 598           HD2      TYR 598  -1.654 -10.595   1.035
  649    HE1  TYR 598           HE1      TYR 598  -6.307  -9.107   1.851
  650    HE2  TYR 598           HE2      TYR 598  -3.543 -11.756  -0.080
  651    HH   TYR 598           HH       TYR 598  -6.111 -12.068   0.518
  652    H    THR 599           H        THR 599  -3.444 -11.011   4.103
  653    HA   THR 599           HA       THR 599  -1.292 -13.061   4.259
  654    HB   THR 599           HB       THR 599  -3.477 -14.509   4.787
  655    HG1  THR 599           HG1      THR 599  -4.697 -13.051   6.248
  656   1HG2  THR 599          3HG2      THR 599  -1.291 -13.803   6.107
  657   2HG2  THR 599          2HG2      THR 599  -2.443 -12.825   7.023
  658   3HG2  THR 599          1HG2      THR 599  -2.645 -14.576   6.934
  659    H    VAL 600           H        VAL 600  -0.804 -13.733   2.255
  660    HA   VAL 600           HA       VAL 600  -2.851 -13.793   0.160
  661    HB   VAL 600           HB       VAL 600   0.064 -14.634   0.144
  662   1HG1  VAL 600          1HG1      VAL 600  -1.905 -15.589  -1.552
  663   2HG1  VAL 600          3HG1      VAL 600  -1.279 -14.194  -2.439
  664   3HG1  VAL 600          2HG1      VAL 600  -0.189 -15.491  -1.940
  665   1HG2  VAL 600          3HG2      VAL 600  -0.866 -12.131   0.180
  666   2HG2  VAL 600          2HG2      VAL 600   0.529 -12.599  -0.795
  667   3HG2  VAL 600          1HG2      VAL 600  -1.068 -12.460  -1.546
  668    HA   PRO 601           HA       PRO 601  -3.938 -17.977   1.198
  669   1HB   PRO 601          2HB       PRO 601  -5.527 -18.436  -1.000
  670   2HB   PRO 601          1HB       PRO 601  -6.052 -17.499   0.410
  671   1HG   PRO 601          2HG       PRO 601  -5.212 -16.526  -2.290
  672   2HG   PRO 601          1HG       PRO 601  -6.355 -15.804  -1.142
  673   1HD   PRO 601          2HD       PRO 601  -3.710 -14.941  -1.534
  674   2HD   PRO 601          1HD       PRO 601  -4.709 -14.562  -0.120
  675    H    GLN 602           H        GLN 602  -3.644 -20.168   0.245
  676    HA   GLN 602           HA       GLN 602  -1.432 -20.170  -1.753
  677   1HB   GLN 602          2HB       GLN 602  -2.328 -22.198   0.310
  678   2HB   GLN 602          1HB       GLN 602  -1.120 -22.556  -0.924
  679   1HG   GLN 602          2HG       GLN 602   0.438 -21.639   0.414
  680   2HG   GLN 602          1HG       GLN 602  -0.360 -20.081   0.200
  681   1HE2  GLN 602          2HE2      GLN 602  -0.687 -20.244   3.758
  682   2HE2  GLN 602          1HE2      GLN 602   0.231 -19.583   2.493
  683    H    ALA 603           H        ALA 603  -4.742 -20.649  -1.591
  684    HA   ALA 603           HA       ALA 603  -4.637 -22.356  -4.037
  685   1HB   ALA 603          2HB       ALA 603  -5.557 -23.313  -1.671
  686   2HB   ALA 603          1HB       ALA 603  -7.037 -22.599  -2.310
  687   3HB   ALA 603          3HB       ALA 603  -6.186 -23.837  -3.233
  688    H    CYS 604           H        CYS 604  -5.777 -21.512  -5.727
  689    HA   CYS 604           HA       CYS 604  -8.200 -20.050  -5.525
  690   1HB   CYS 604          2HB       CYS 604  -7.561 -17.779  -5.701
  691   2HB   CYS 604          1HB       CYS 604  -6.518 -18.422  -4.437
  692    H    GLY 605           H        GLY 605  -7.518 -18.165  -7.695
  693   1HA   GLY 605          2HA       GLY 605  -6.566 -19.886  -9.892
  694   2HA   GLY 605          1HA       GLY 605  -8.256 -19.383  -9.985
  695    H    THR 606           H        THR 606  -7.991 -16.799  -8.875
  696    HA   THR 606           HA       THR 606  -6.520 -15.440 -11.082
  697    HB   THR 606           HB       THR 606  -9.031 -15.056 -10.695
  698    HG1  THR 606           HG1      THR 606  -8.687 -13.206 -11.616
  699   1HG2  THR 606          1HG2      THR 606  -8.170 -14.637  -8.080
  700   2HG2  THR 606          3HG2      THR 606  -8.509 -13.015  -8.681
  701   3HG2  THR 606          2HG2      THR 606  -9.766 -14.251  -8.724
  702    H    SER 607           H        SER 607  -6.756 -12.908  -9.355
  703    HA   SER 607           HA       SER 607  -4.958 -13.473  -7.109
  704   1HB   SER 607          2HB       SER 607  -3.077 -12.209  -7.921
  705   2HB   SER 607          1HB       SER 607  -3.477 -13.395  -9.161
  706    HG   SER 607           HG       SER 607  -4.919 -11.489  -9.885
  707    H    THR 608           H        THR 608  -6.259 -12.332  -5.687
  708    HA   THR 608           HA       THR 608  -6.317  -9.412  -6.042
  709    HB   THR 608           HB       THR 608  -8.850  -9.502  -5.402
  710    HG1  THR 608           HG1      THR 608  -9.810 -11.382  -6.394
  711   1HG2  THR 608          3HG2      THR 608  -7.807  -8.716  -7.578
  712   2HG2  THR 608          2HG2      THR 608  -8.076 -10.344  -8.202
  713   3HG2  THR 608          1HG2      THR 608  -9.448  -9.347  -7.719
  714    H    ALA 609           H        ALA 609  -7.062  -8.317  -4.024
  715    HA   ALA 609           HA       ALA 609  -7.386  -9.867  -1.601
  716   1HB   ALA 609          2HB       ALA 609  -4.692  -9.022  -2.491
  717   2HB   ALA 609          1HB       ALA 609  -5.070  -8.757  -0.792
  718   3HB   ALA 609          3HB       ALA 609  -5.172 -10.374  -1.476
  719    H    THR 610           H        THR 610  -6.461  -8.114   0.282
  720    HA   THR 610           HA       THR 610  -7.463  -5.412  -0.393
  721    HB   THR 610           HB       THR 610  -8.536  -6.941   1.970
  722    HG1  THR 610           HG1      THR 610  -9.421  -6.826  -0.702
  723   1HG2  THR 610          1HG2      THR 610  -8.804  -4.252   0.872
  724   2HG2  THR 610          3HG2      THR 610 -10.373  -5.038   1.058
  725   3HG2  THR 610          2HG2      THR 610  -9.299  -4.871   2.448
  726    H    VAL 611           H        VAL 611  -6.869  -3.828   1.163
  727    HA   VAL 611           HA       VAL 611  -5.593  -4.390   3.661
  728    HB   VAL 611           HB       VAL 611  -3.807  -3.991   1.269
  729   1HG1  VAL 611          2HG1      VAL 611  -3.186  -3.123   4.114
  730   2HG1  VAL 611          1HG1      VAL 611  -2.000  -3.239   2.814
  731   3HG1  VAL 611          3HG1      VAL 611  -3.309  -2.060   2.713
  732   1HG2  VAL 611          3HG2      VAL 611  -4.029  -5.788   3.648
  733   2HG2  VAL 611          2HG2      VAL 611  -3.643  -6.191   1.979
  734   3HG2  VAL 611          1HG2      VAL 611  -2.416  -5.467   3.016
  735    H    THR 612           H        THR 612  -6.863  -2.734   4.462
  736    HA   THR 612           HA       THR 612  -7.030  -0.137   3.117
  737    HB   THR 612           HB       THR 612  -7.919  -0.122   5.877
  738    HG1  THR 612           HG1      THR 612  -9.040  -1.910   5.949
  739   1HG2  THR 612          3HG2      THR 612  -8.638   1.159   3.681
  740   2HG2  THR 612          2HG2      THR 612  -9.726  -0.216   3.489
  741   3HG2  THR 612          1HG2      THR 612  -9.829   0.796   4.930
  742    H    ASP 613           H        ASP 613  -5.461   1.328   3.261
  743    HA   ASP 613           HA       ASP 613  -3.700   1.353   5.671
  744   1HB   ASP 613          2HB       ASP 613  -2.634   3.176   3.906
  745   2HB   ASP 613          1HB       ASP 613  -2.091   1.516   4.109
  746    H    THR 614           H        THR 614  -3.980   3.010   7.104
  747    HA   THR 614           HA       THR 614  -5.861   5.139   6.248
  748    HB   THR 614           HB       THR 614  -4.743   4.584   9.009
  749    HG1  THR 614           HG1      THR 614  -6.523   3.471   9.303
  750   1HG2  THR 614          1HG2      THR 614  -5.890   6.891   7.793
  751   2HG2  THR 614          3HG2      THR 614  -7.083   6.228   8.921
  752   3HG2  THR 614          2HG2      THR 614  -5.469   6.654   9.497
  753    H    TRP 615           H        TRP 615  -5.109   7.111   5.678
  754    HA   TRP 615           HA       TRP 615  -2.224   7.592   6.197
  755   1HB   TRP 615          2HB       TRP 615  -2.644   7.804   3.912
  756   2HB   TRP 615          1HB       TRP 615  -4.160   8.628   4.176
  757    HD1  TRP 615           HD1      TRP 615  -3.973  11.200   5.140
  758    HE1  TRP 615           HE1      TRP 615  -2.153  12.969   4.679
  759    HE3  TRP 615           HE3      TRP 615  -0.288   8.162   3.454
  760    HZ2  TRP 615           HZ2      TRP 615   0.546  13.059   3.714
  761    HZ3  TRP 615           HZ3      TRP 615   1.906   9.080   2.781
  762    HH2  TRP 615           HH2      TRP 615   2.318  11.540   2.895
  763    H    ARG 616           H        ARG 616  -5.427   8.940   6.753
  764    HA   ARG 616           HA       ARG 616  -4.523  11.476   7.791
  765   1HB   ARG 616          2HB       ARG 616  -6.830  11.178   7.026
  766   2HB   ARG 616          1HB       ARG 616  -7.105   9.953   8.265
  767   1HG   ARG 616          2HG       ARG 616  -6.353  11.823   9.929
  768   2HG   ARG 616          1HG       ARG 616  -6.723  12.920   8.598
  769   1HD   ARG 616          2HD       ARG 616  -8.823  12.852   9.508
  770   2HD   ARG 616          1HD       ARG 616  -8.946  11.379   8.546
  771    HE   ARG 616           HE       ARG 616  -7.974  10.344  10.824
  772   1HH1  ARG 616          1HH1      ARG 616 -10.942  11.492   9.923
  773   2HH1  ARG 616          2HH1      ARG 616 -11.562  11.722  11.524
  774   1HH2  ARG 616          1HH2      ARG 616  -8.503  11.200  13.071
  775   2HH2  ARG 616          2HH2      ARG 616 -10.181  11.557  13.306
   
  No H/Q in entry =         775
  Start of MODEL    2
    1   1H    CYS 509          3H        CYS 509  -6.613 -18.942 -16.214
    2   2H    CYS 509          2H        CYS 509  -8.189 -19.251 -15.659
    3   3H    CYS 509          1H        CYS 509  -7.919 -18.060 -16.841
    4    HA   CYS 509           HA       CYS 509  -7.930 -16.611 -15.164
    5   1HB   CYS 509          2HB       CYS 509  -7.476 -17.446 -12.776
    6   2HB   CYS 509          1HB       CYS 509  -8.922 -18.073 -13.569
    7    H    THR 510           H        THR 510  -6.247 -15.744 -13.426
    8    HA   THR 510           HA       THR 510  -3.617 -15.888 -14.749
    9    HB   THR 510           HB       THR 510  -3.548 -14.257 -12.403
   10    HG1  THR 510           HG1      THR 510  -5.674 -13.525 -14.088
   11   1HG2  THR 510          3HG2      THR 510  -3.526 -13.855 -15.381
   12   2HG2  THR 510          2HG2      THR 510  -3.568 -12.457 -14.306
   13   3HG2  THR 510          1HG2      THR 510  -2.227 -13.599 -14.215
   14    H    THR 511           H        THR 511  -1.710 -15.753 -12.977
   15    HA   THR 511           HA       THR 511  -1.286 -18.268 -11.913
   16    HB   THR 511           HB       THR 511   0.607 -16.936 -11.770
   17    HG1  THR 511           HG1      THR 511   1.033 -16.635  -9.570
   18   1HG2  THR 511          2HG2      THR 511  -1.308 -14.823 -10.809
   19   2HG2  THR 511          1HG2      THR 511   0.429 -14.634 -10.563
   20   3HG2  THR 511          3HG2      THR 511  -0.220 -14.782 -12.197
   21    HA   PRO 512           HA       PRO 512  -4.347 -18.385  -8.680
   22   1HB   PRO 512          2HB       PRO 512  -3.760 -20.938  -7.852
   23   2HB   PRO 512          1HB       PRO 512  -4.730 -20.574  -9.290
   24   1HG   PRO 512          2HG       PRO 512  -1.914 -21.538  -9.121
   25   2HG   PRO 512          1HG       PRO 512  -3.095 -21.747 -10.425
   26   1HD   PRO 512          2HD       PRO 512  -0.961 -19.882 -10.395
   27   2HD   PRO 512          1HD       PRO 512  -2.328 -19.891 -11.530
   28    H    THR 513           H        THR 513  -0.917 -19.000  -8.268
   29    HA   THR 513           HA       THR 513  -1.118 -18.862  -5.325
   30    HB   THR 513           HB       THR 513   1.248 -19.345  -5.320
   31    HG1  THR 513           HG1      THR 513   2.460 -19.208  -7.156
   32   1HG2  THR 513          3HG2      THR 513  -0.272 -21.230  -5.849
   33   2HG2  THR 513          2HG2      THR 513  -0.081 -20.883  -7.568
   34   3HG2  THR 513          1HG2      THR 513   1.303 -21.424  -6.618
   35    H    ALA 514           H        ALA 514  -1.312 -16.595  -7.651
   36    HA   ALA 514           HA       ALA 514   0.396 -14.646  -6.178
   37   1HB   ALA 514          3HB       ALA 514  -0.770 -14.467  -8.963
   38   2HB   ALA 514          2HB       ALA 514   0.229 -13.233  -8.195
   39   3HB   ALA 514          1HB       ALA 514   0.914 -14.816  -8.570
   40    H    VAL 515           H        VAL 515  -0.648 -13.110  -4.941
   41    HA   VAL 515           HA       VAL 515  -3.477 -12.573  -5.666
   42    HB   VAL 515           HB       VAL 515  -2.589 -12.586  -2.811
   43   1HG1  VAL 515          3HG1      VAL 515  -4.836 -11.624  -3.975
   44   2HG1  VAL 515          2HG1      VAL 515  -5.320 -13.300  -3.721
   45   3HG1  VAL 515          1HG1      VAL 515  -4.815 -12.311  -2.352
   46   1HG2  VAL 515          2HG2      VAL 515  -2.137 -14.817  -3.842
   47   2HG2  VAL 515          1HG2      VAL 515  -3.458 -14.891  -2.680
   48   3HG2  VAL 515          3HG2      VAL 515  -3.807 -14.866  -4.406
   49    H    ALA 516           H        ALA 516  -3.532 -10.541  -6.422
   50    HA   ALA 516           HA       ALA 516  -1.595  -8.543  -5.542
   51   1HB   ALA 516          3HB       ALA 516  -4.040  -8.302  -7.316
   52   2HB   ALA 516          2HB       ALA 516  -2.851  -7.026  -7.056
   53   3HB   ALA 516          1HB       ALA 516  -2.378  -8.523  -7.862
   54    H    VAL 517           H        VAL 517  -1.833  -7.290  -3.825
   55    HA   VAL 517           HA       VAL 517  -4.497  -7.187  -2.488
   56    HB   VAL 517           HB       VAL 517  -1.998  -6.019  -1.312
   57   1HG1  VAL 517          1HG1      VAL 517  -4.638  -6.451  -0.471
   58   2HG1  VAL 517          3HG1      VAL 517  -3.685  -7.680   0.364
   59   3HG1  VAL 517          2HG1      VAL 517  -3.273  -5.967   0.531
   60   1HG2  VAL 517          3HG2      VAL 517  -1.396  -8.264  -2.213
   61   2HG2  VAL 517          2HG2      VAL 517  -1.377  -8.220  -0.449
   62   3HG2  VAL 517          1HG2      VAL 517  -2.730  -8.960  -1.297
   63    H    THR 518           H        THR 518  -5.744  -5.386  -2.565
   64    HA   THR 518           HA       THR 518  -4.640  -2.956  -3.811
   65    HB   THR 518           HB       THR 518  -7.199  -2.307  -3.082
   66    HG1  THR 518           HG1      THR 518  -8.329  -4.304  -3.696
   67   1HG2  THR 518          1HG2      THR 518  -6.050  -2.204  -5.328
   68   2HG2  THR 518          3HG2      THR 518  -6.477  -3.901  -5.549
   69   3HG2  THR 518          2HG2      THR 518  -7.745  -2.686  -5.391
   70    H    PHE 519           H        PHE 519  -4.463  -0.923  -2.758
   71    HA   PHE 519           HA       PHE 519  -4.694  -1.075   0.211
   72   1HB   PHE 519          2HB       PHE 519  -2.810   0.693  -1.351
   73   2HB   PHE 519          1HB       PHE 519  -2.739   0.251   0.349
   74    HD1  PHE 519           HD1      PHE 519  -2.418  -2.222   0.948
   75    HD2  PHE 519           HD2      PHE 519  -1.744  -0.639  -2.978
   76    HE1  PHE 519           HE1      PHE 519  -1.066  -4.227   0.370
   77    HE2  PHE 519           HE2      PHE 519  -0.379  -2.625  -3.547
   78    HZ   PHE 519           HZ       PHE 519  -0.042  -4.424  -1.872
   79    H    ASP 520           H        ASP 520  -6.223   0.285   0.982
   80    HA   ASP 520           HA       ASP 520  -6.950   2.611  -0.729
   81   1HB   ASP 520          2HB       ASP 520  -9.128   2.323   0.838
   82   2HB   ASP 520          1HB       ASP 520  -8.959   1.525  -0.724
   83    H    LEU 521           H        LEU 521  -6.284   4.467   0.055
   84    HA   LEU 521           HA       LEU 521  -5.782   4.838   2.962
   85   1HB   LEU 521          2HB       LEU 521  -4.893   6.311   0.694
   86   2HB   LEU 521          1HB       LEU 521  -5.640   7.390   1.831
   87    HG   LEU 521           HG       LEU 521  -4.074   7.043   3.383
   88   1HD1  LEU 521          3HD1      LEU 521  -3.882   4.285   2.458
   89   2HD1  LEU 521          2HD1      LEU 521  -2.441   5.020   3.194
   90   3HD1  LEU 521          1HD1      LEU 521  -3.967   4.978   4.086
   91   1HD2  LEU 521          3HD2      LEU 521  -2.641   6.439   0.815
   92   2HD2  LEU 521          2HD2      LEU 521  -2.983   8.029   1.508
   93   3HD2  LEU 521          1HD2      LEU 521  -1.844   6.944   2.307
   94    H    THR 522           H        THR 522  -7.321   5.310   4.336
   95    HA   THR 522           HA       THR 522  -9.551   7.004   3.421
   96    HB   THR 522           HB       THR 522  -9.718   7.011   6.161
   97    HG1  THR 522           HG1      THR 522  -7.971   5.519   6.233
   98   1HG2  THR 522          2HG2      THR 522 -11.306   6.422   4.162
   99   2HG2  THR 522          1HG2      THR 522 -10.871   4.754   4.560
  100   3HG2  THR 522          3HG2      THR 522 -11.647   5.775   5.773
  101    H    ALA 523           H        ALA 523  -8.461   8.812   2.750
  102    HA   ALA 523           HA       ALA 523  -7.527  10.646   4.825
  103   1HB   ALA 523          2HB       ALA 523  -5.695   9.107   3.060
  104   2HB   ALA 523          1HB       ALA 523  -5.384  10.846   3.152
  105   3HB   ALA 523          3HB       ALA 523  -5.390   9.874   4.624
  106    H    THR 524           H        THR 524  -8.760  12.364   4.153
  107    HA   THR 524           HA       THR 524  -9.201  12.844   1.286
  108    HB   THR 524           HB       THR 524 -11.004  13.197   2.983
  109    HG1  THR 524           HG1      THR 524 -10.359  15.724   1.966
  110   1HG2  THR 524          2HG2      THR 524  -8.831  14.556   4.215
  111   2HG2  THR 524          1HG2      THR 524 -10.127  15.729   3.946
  112   3HG2  THR 524          3HG2      THR 524 -10.446  14.262   4.875
  113    H    THR 525           H        THR 525  -6.529  13.025   1.990
  114    HA   THR 525           HA       THR 525  -5.470  15.519   2.726
  115    HB   THR 525           HB       THR 525  -4.476  13.485   0.712
  116    HG1  THR 525           HG1      THR 525  -4.082  14.009   3.449
  117   1HG2  THR 525          2HG2      THR 525  -3.306  16.068   1.684
  118   2HG2  THR 525          1HG2      THR 525  -2.231  14.706   1.366
  119   3HG2  THR 525          3HG2      THR 525  -3.244  15.349   0.074
  120    H    THR 526           H        THR 526  -5.090  17.455   1.593
  121    HA   THR 526           HA       THR 526  -6.247  17.587  -1.164
  122    HB   THR 526           HB       THR 526  -7.704  18.682   0.544
  123    HG1  THR 526           HG1      THR 526  -8.123  19.971  -1.035
  124   1HG2  THR 526          2HG2      THR 526  -5.257  19.530   1.594
  125   2HG2  THR 526          1HG2      THR 526  -5.981  20.994   0.927
  126   3HG2  THR 526          3HG2      THR 526  -6.859  20.045   2.126
  127    H    TYR 527           H        TYR 527  -3.403  17.426   0.107
  128    HA   TYR 527           HA       TYR 527  -2.233  19.940  -0.903
  129   1HB   TYR 527          2HB       TYR 527  -1.530  18.391   1.192
  130   2HB   TYR 527          1HB       TYR 527  -0.515  17.663  -0.046
  131    HD1  TYR 527           HD1      TYR 527  -0.658  20.722  -1.425
  132    HD2  TYR 527           HD2      TYR 527   0.767  18.932   2.213
  133    HE1  TYR 527           HE1      TYR 527   0.953  22.578  -1.141
  134    HE2  TYR 527           HE2      TYR 527   2.387  20.789   2.488
  135    HH   TYR 527           HH       TYR 527   2.928  22.875   1.770
  136    H    GLY 528           H        GLY 528   0.117  19.080  -2.065
  137   1HA   GLY 528          2HA       GLY 528  -0.899  17.708  -4.495
  138   2HA   GLY 528          1HA       GLY 528   0.532  18.741  -4.434
  139    H    GLU 529           H        GLU 529   0.297  16.704  -1.738
  140    HA   GLU 529           HA       GLU 529   2.665  15.218  -2.546
  141   1HB   GLU 529          2HB       GLU 529   2.353  14.053  -0.362
  142   2HB   GLU 529          1HB       GLU 529   2.330  15.809  -0.198
  143   1HG   GLU 529          2HG       GLU 529   0.323  15.626   0.804
  144   2HG   GLU 529          1HG       GLU 529  -0.334  15.067  -0.736
  145    H    ASN 530           H        ASN 530   2.326  12.652  -1.751
  146    HA   ASN 530           HA       ASN 530  -0.121  11.497  -2.973
  147   1HB   ASN 530          2HB       ASN 530   1.992  11.943  -4.670
  148   2HB   ASN 530          1HB       ASN 530   2.419  10.374  -4.022
  149   1HD2  ASN 530          2HD2      ASN 530  -0.076   8.640  -5.782
  150   2HD2  ASN 530          1HD2      ASN 530   1.204   8.550  -4.674
  151    H    ILE 531           H        ILE 531  -0.404   9.388  -2.132
  152    HA   ILE 531           HA       ILE 531   1.619   8.696  -0.084
  153    HB   ILE 531           HB       ILE 531  -1.175   7.643  -0.551
  154   1HG1  ILE 531          2HG1      ILE 531  -1.268   8.693   1.863
  155   2HG1  ILE 531          1HG1      ILE 531   0.134   9.601   1.304
  156   1HG2  ILE 531          1HG2      ILE 531   1.038   6.390   0.706
  157   2HG2  ILE 531          3HG2      ILE 531  -0.017   6.966   1.996
  158   3HG2  ILE 531          2HG2      ILE 531  -0.652   5.886   0.754
  159   1HD1  ILE 531          2HD1      ILE 531  -1.719   9.660  -0.802
  160   2HD1  ILE 531          1HD1      ILE 531  -2.641   9.988   0.665
  161   3HD1  ILE 531          3HD1      ILE 531  -1.255  10.996   0.251
  162    H    TYR 532           H        TYR 532   3.204   7.428  -0.769
  163    HA   TYR 532           HA       TYR 532   2.659   5.453  -2.875
  164   1HB   TYR 532          2HB       TYR 532   5.177   6.248  -1.446
  165   2HB   TYR 532          1HB       TYR 532   5.109   4.863  -2.508
  166    HD1  TYR 532           HD1      TYR 532   3.688   8.321  -2.641
  167    HD2  TYR 532           HD2      TYR 532   6.024   5.292  -4.599
  168    HE1  TYR 532           HE1      TYR 532   4.046   9.838  -4.582
  169    HE2  TYR 532           HE2      TYR 532   6.376   6.806  -6.530
  170    HH   TYR 532           HH       TYR 532   4.562   9.559  -7.055
  171    H    LEU 533           H        LEU 533   4.147   3.290  -2.138
  172    HA   LEU 533           HA       LEU 533   3.488   2.527   0.619
  173   1HB   LEU 533          2HB       LEU 533   1.378   1.908  -0.126
  174   2HB   LEU 533          1HB       LEU 533   1.944   1.542  -1.753
  175    HG   LEU 533           HG       LEU 533   3.117  -0.477  -0.829
  176   1HD1  LEU 533          2HD1      LEU 533   1.702   0.439   1.684
  177   2HD1  LEU 533          1HD1      LEU 533   2.264  -1.219   1.458
  178   3HD1  LEU 533          3HD1      LEU 533   3.422   0.111   1.471
  179   1HD2  LEU 533          1HD2      LEU 533   0.758  -0.472  -1.797
  180   2HD2  LEU 533          3HD2      LEU 533   1.134  -1.817  -0.720
  181   3HD2  LEU 533          2HD2      LEU 533   0.171  -0.462  -0.134
  182    H    VAL 534           H        VAL 534   5.164   1.350   1.305
  183    HA   VAL 534           HA       VAL 534   6.576  -0.368  -0.696
  184    HB   VAL 534           HB       VAL 534   8.013   1.480  -0.090
  185   1HG1  VAL 534          1HG1      VAL 534   6.740   1.397   2.338
  186   2HG1  VAL 534          3HG1      VAL 534   8.370   0.817   2.683
  187   3HG1  VAL 534          2HG1      VAL 534   8.138   2.394   1.923
  188   1HG2  VAL 534          3HG2      VAL 534   8.873  -0.975   1.379
  189   2HG2  VAL 534          2HG2      VAL 534   9.178  -0.601  -0.318
  190   3HG2  VAL 534          1HG2      VAL 534   9.892   0.391   0.941
  191    H    GLY 535           H        GLY 535   7.756  -2.252   0.645
  192   1HA   GLY 535          2HA       GLY 535   6.054  -2.922   3.002
  193   2HA   GLY 535          1HA       GLY 535   5.936  -3.981   1.609
  194    H    SER 536           H        SER 536   6.528  -5.465   3.449
  195    HA   SER 536           HA       SER 536   9.343  -5.493   4.237
  196   1HB   SER 536          2HB       SER 536   7.480  -6.096   5.807
  197   2HB   SER 536          1HB       SER 536   7.203  -7.534   4.829
  198    HG   SER 536           HG       SER 536   8.945  -7.215   6.771
  199    H    ILE 537           H        ILE 537   8.351  -6.076   1.382
  200    HA   ILE 537           HA       ILE 537  10.093  -8.448   1.046
  201    HB   ILE 537           HB       ILE 537   8.485  -9.606  -0.360
  202   1HG1  ILE 537          2HG1      ILE 537   6.737  -7.189   0.190
  203   2HG1  ILE 537          1HG1      ILE 537   7.362  -7.713  -1.375
  204   1HG2  ILE 537          3HG2      ILE 537   8.342  -9.534   2.309
  205   2HG2  ILE 537          2HG2      ILE 537   6.760  -8.835   1.958
  206   3HG2  ILE 537          1HG2      ILE 537   7.172 -10.439   1.349
  207   1HD1  ILE 537          2HD1      ILE 537   6.024  -9.933  -0.205
  208   2HD1  ILE 537          1HD1      ILE 537   4.955  -8.538  -0.061
  209   3HD1  ILE 537          3HD1      ILE 537   5.560  -9.027  -1.643
  210    H    SER 538           H        SER 538  10.893  -8.607  -1.193
  211    HA   SER 538           HA       SER 538  11.579  -6.108  -2.311
  212   1HB   SER 538          2HB       SER 538  11.354  -8.758  -3.750
  213   2HB   SER 538          1HB       SER 538  12.197  -7.331  -4.347
  214    HG   SER 538           HG       SER 538  13.491  -8.975  -3.194
  215    H    GLN 539           H        GLN 539   8.679  -8.018  -2.703
  216    HA   GLN 539           HA       GLN 539   7.698  -7.072  -5.142
  217   1HB   GLN 539          2HB       GLN 539   6.053  -7.415  -2.668
  218   2HB   GLN 539          1HB       GLN 539   5.509  -7.573  -4.326
  219   1HG   GLN 539          2HG       GLN 539   7.409  -9.388  -2.830
  220   2HG   GLN 539          1HG       GLN 539   5.842  -9.806  -3.522
  221   1HE2  GLN 539          2HE2      GLN 539   7.426  -9.201  -6.925
  222   2HE2  GLN 539          1HE2      GLN 539   6.269  -8.326  -6.043
  223    H    LEU 540           H        LEU 540   7.629  -5.500  -1.972
  224    HA   LEU 540           HA       LEU 540   6.436  -3.088  -3.199
  225   1HB   LEU 540          2HB       LEU 540   7.043  -3.830  -0.296
  226   2HB   LEU 540          1HB       LEU 540   6.622  -2.189  -0.819
  227    HG   LEU 540           HG       LEU 540   4.502  -2.997  -0.291
  228   1HD1  LEU 540          1HD1      LEU 540   4.472  -2.361  -2.681
  229   2HD1  LEU 540          3HD1      LEU 540   4.817  -4.036  -3.116
  230   3HD1  LEU 540          2HD1      LEU 540   3.297  -3.625  -2.321
  231   1HD2  LEU 540          1HD2      LEU 540   5.632  -5.665  -1.107
  232   2HD2  LEU 540          3HD2      LEU 540   4.964  -5.179   0.450
  233   3HD2  LEU 540          2HD2      LEU 540   3.891  -5.446  -0.924
  234    H    GLY 541           H        GLY 541   9.052  -3.970  -3.929
  235   1HA   GLY 541          2HA       GLY 541  11.071  -2.868  -4.467
  236   2HA   GLY 541          1HA       GLY 541  10.490  -1.467  -3.564
  237    H    ASP 542           H        ASP 542  10.275  -4.386  -1.844
  238    HA   ASP 542           HA       ASP 542  11.657  -5.374  -0.208
  239   1HB   ASP 542          2HB       ASP 542  13.740  -3.273  -0.721
  240   2HB   ASP 542          1HB       ASP 542  13.962  -4.895  -0.069
  241    H    TRP 543           H        TRP 543  12.389  -1.970  -0.153
  242    HA   TRP 543           HA       TRP 543  10.694  -1.244   1.968
  243   1HB   TRP 543          2HB       TRP 543  13.421  -2.211   2.741
  244   2HB   TRP 543          1HB       TRP 543  12.790  -0.779   3.569
  245    HD1  TRP 543           HD1      TRP 543  12.953  -4.161   4.355
  246    HE1  TRP 543           HE1      TRP 543  10.831  -5.077   5.499
  247    HE3  TRP 543           HE3      TRP 543   9.679  -0.403   3.274
  248    HZ2  TRP 543           HZ2      TRP 543   8.085  -4.318   5.841
  249    HZ3  TRP 543           HZ3      TRP 543   7.326  -0.523   4.029
  250    HH2  TRP 543           HH2      TRP 543   6.547  -2.479   5.330
  251    H    GLU 544           H        GLU 544  11.251  -0.207  -0.474
  252    HA   GLU 544           HA       GLU 544  12.798   2.252   0.276
  253   1HB   GLU 544          2HB       GLU 544  12.636   0.730  -2.303
  254   2HB   GLU 544          1HB       GLU 544  12.877   2.480  -2.337
  255   1HG   GLU 544          2HG       GLU 544  15.041   1.283  -2.336
  256   2HG   GLU 544          1HG       GLU 544  14.840   2.255  -0.878
  257    H    THR 545           H        THR 545  11.595   4.061   0.295
  258    HA   THR 545           HA       THR 545   8.787   3.793  -0.429
  259    HB   THR 545           HB       THR 545   9.138   5.144   1.497
  260    HG1  THR 545           HG1      THR 545   8.960   6.992  -0.641
  261   1HG2  THR 545          1HG2      THR 545  11.338   6.405  -0.133
  262   2HG2  THR 545          3HG2      THR 545  10.699   7.175   1.318
  263   3HG2  THR 545          2HG2      THR 545  11.460   5.590   1.427
  264    H    SER 546           H        SER 546  11.729   5.162  -1.758
  265    HA   SER 546           HA       SER 546  10.400   6.702  -3.816
  266   1HB   SER 546          2HB       SER 546  12.919   6.492  -4.675
  267   2HB   SER 546          1HB       SER 546  12.474   7.626  -3.413
  268    HG   SER 546           HG       SER 546  14.246   5.785  -3.226
  269    H    ASP 547           H        ASP 547  11.414   3.510  -3.313
  270    HA   ASP 547           HA       ASP 547  10.935   2.867  -6.177
  271   1HB   ASP 547          2HB       ASP 547  12.774   1.686  -4.143
  272   2HB   ASP 547          1HB       ASP 547  12.061   0.596  -5.331
  273    H    GLY 548           H        GLY 548   9.504   2.900  -3.232
  274   1HA   GLY 548          2HA       GLY 548   8.173   0.349  -3.133
  275   2HA   GLY 548          1HA       GLY 548   7.590   1.834  -2.355
  276    H    ILE 549           H        ILE 549   5.475   2.128  -3.150
  277    HA   ILE 549           HA       ILE 549   5.312   2.418  -6.090
  278    HB   ILE 549           HB       ILE 549   3.540   0.562  -4.482
  279   1HG1  ILE 549          2HG1      ILE 549   5.453   0.220  -6.808
  280   2HG1  ILE 549          1HG1      ILE 549   5.549  -0.531  -5.214
  281   1HG2  ILE 549          2HG2      ILE 549   2.847   2.211  -6.704
  282   2HG2  ILE 549          1HG2      ILE 549   2.953   0.551  -7.287
  283   3HG2  ILE 549          3HG2      ILE 549   1.878   0.947  -5.947
  284   1HD1  ILE 549          1HD1      ILE 549   2.996  -1.177  -6.277
  285   2HD1  ILE 549          3HD1      ILE 549   4.175  -1.477  -7.553
  286   3HD1  ILE 549          2HD1      ILE 549   4.351  -2.268  -5.988
  287    H    ALA 550           H        ALA 550   4.424   4.326  -6.501
  288    HA   ALA 550           HA       ALA 550   3.089   5.920  -4.549
  289   1HB   ALA 550          1HB       ALA 550   4.101   6.387  -7.050
  290   2HB   ALA 550          3HB       ALA 550   2.360   6.497  -7.314
  291   3HB   ALA 550          2HB       ALA 550   3.132   7.528  -6.111
  292    H    LEU 551           H        LEU 551   0.866   6.324  -4.240
  293    HA   LEU 551           HA       LEU 551  -0.798   4.186  -5.390
  294   1HB   LEU 551          2HB       LEU 551  -1.089   5.815  -2.894
  295   2HB   LEU 551          1HB       LEU 551  -2.453   4.967  -3.568
  296    HG   LEU 551           HG       LEU 551  -0.781   2.924  -3.598
  297   1HD1  LEU 551          3HD1      LEU 551   1.080   4.426  -2.793
  298   2HD1  LEU 551          2HD1      LEU 551   0.218   4.558  -1.262
  299   3HD1  LEU 551          1HD1      LEU 551   0.813   2.990  -1.807
  300   1HD2  LEU 551          3HD2      LEU 551  -2.243   4.054  -1.196
  301   2HD2  LEU 551          2HD2      LEU 551  -2.855   2.882  -2.366
  302   3HD2  LEU 551          1HD2      LEU 551  -1.579   2.419  -1.239
  303    H    SER 552           H        SER 552  -3.288   5.089  -5.199
  304    HA   SER 552           HA       SER 552  -3.356   7.649  -6.659
  305   1HB   SER 552          2HB       SER 552  -3.540   6.343  -8.414
  306   2HB   SER 552          1HB       SER 552  -4.157   4.979  -7.534
  307    HG   SER 552           HG       SER 552  -5.767   5.870  -8.867
  308    H    ALA 553           H        ALA 553  -5.945   8.037  -7.060
  309    HA   ALA 553           HA       ALA 553  -7.393   7.441  -4.549
  310   1HB   ALA 553          2HB       ALA 553  -6.067   9.657  -4.473
  311   2HB   ALA 553          1HB       ALA 553  -7.209  10.226  -5.694
  312   3HB   ALA 553          3HB       ALA 553  -7.795   9.744  -4.106
  313    H    ASP 554           H        ASP 554  -8.113   6.129  -6.704
  314    HA   ASP 554           HA       ASP 554  -9.707   7.492  -8.624
  315   1HB   ASP 554          2HB       ASP 554 -10.689   5.139  -8.886
  316   2HB   ASP 554          1HB       ASP 554  -8.981   5.329  -9.211
  317    H    LYS 555           H        LYS 555 -10.758   5.503  -5.820
  318    HA   LYS 555           HA       LYS 555 -13.434   6.733  -6.025
  319   1HB   LYS 555          2HB       LYS 555 -12.319   4.309  -4.864
  320   2HB   LYS 555          1HB       LYS 555 -13.379   5.148  -3.732
  321   1HG   LYS 555          2HG       LYS 555 -15.053   4.087  -4.844
  322   2HG   LYS 555          1HG       LYS 555 -14.808   5.340  -6.061
  323   1HD   LYS 555          2HD       LYS 555 -13.126   3.852  -7.175
  324   2HD   LYS 555          1HD       LYS 555 -13.547   2.584  -6.022
  325   1HE   LYS 555          2HE       LYS 555 -15.413   2.052  -7.170
  326   2HE   LYS 555          1HE       LYS 555 -15.924   3.738  -7.237
  327   1HZ   LYS 555          1HZ       LYS 555 -13.890   2.506  -9.017
  328   2HZ   LYS 555          3HZ       LYS 555 -15.508   2.788  -9.443
  329   3HZ   LYS 555          2HZ       LYS 555 -14.478   4.098  -9.109
  330    H    TYR 556           H        TYR 556 -10.624   7.790  -4.854
  331    HA   TYR 556           HA       TYR 556 -11.731   8.876  -2.317
  332   1HB   TYR 556          2HB       TYR 556  -9.614   7.941  -1.876
  333   2HB   TYR 556          1HB       TYR 556  -8.960   8.454  -3.417
  334    HD1  TYR 556           HD2      TYR 556 -10.900  10.921  -1.491
  335    HD2  TYR 556           HD1      TYR 556  -6.964   9.339  -2.209
  336    HE1  TYR 556           HE2      TYR 556  -9.934  12.875  -0.401
  337    HE2  TYR 556           HE1      TYR 556  -5.990  11.359  -1.154
  338    HH   TYR 556           HH       TYR 556  -7.996  14.079  -0.240
  339    H    THR 557           H        THR 557 -12.689  10.853  -2.568
  340    HA   THR 557           HA       THR 557 -11.239  12.913  -4.056
  341    HB   THR 557           HB       THR 557 -12.413  12.319  -5.956
  342    HG1  THR 557           HG1      THR 557 -14.023  13.794  -6.187
  343   1HG2  THR 557          3HG2      THR 557 -13.596  10.455  -4.700
  344   2HG2  THR 557          2HG2      THR 557 -14.853  11.628  -4.306
  345   3HG2  THR 557          1HG2      THR 557 -14.535  11.207  -5.989
  346    H    SER 558           H        SER 558 -14.488  12.305  -2.603
  347    HA   SER 558           HA       SER 558 -13.973  14.618  -0.820
  348   1HB   SER 558          2HB       SER 558 -15.189  15.290  -3.029
  349   2HB   SER 558          1HB       SER 558 -16.589  14.508  -2.300
  350    HG   SER 558           HG       SER 558 -16.518  16.708  -1.754
  351    H    SER 559           H        SER 559 -16.502  12.236  -1.750
  352    HA   SER 559           HA       SER 559 -17.703  12.246   0.874
  353   1HB   SER 559          2HB       SER 559 -18.051  10.794  -1.650
  354   2HB   SER 559          1HB       SER 559 -18.348   9.793  -0.232
  355    HG   SER 559           HG       SER 559 -20.246  10.796  -0.569
  356    H    ASP 560           H        ASP 560 -16.375   9.318  -0.587
  357    HA   ASP 560           HA       ASP 560 -15.066   8.728   2.032
  358   1HB   ASP 560          2HB       ASP 560 -16.298   7.033  -0.111
  359   2HB   ASP 560          1HB       ASP 560 -14.985   6.350   0.849
  360    HA   PRO 561           HA       PRO 561 -11.483   9.513  -0.585
  361   1HB   PRO 561          2HB       PRO 561  -9.850  10.190   1.500
  362   2HB   PRO 561          1HB       PRO 561 -10.934  11.336   0.687
  363   1HG   PRO 561          2HG       PRO 561 -11.166  10.089   3.356
  364   2HG   PRO 561          1HG       PRO 561 -11.905  11.578   2.737
  365   1HD   PRO 561          2HD       PRO 561 -13.198   9.039   3.049
  366   2HD   PRO 561          1HD       PRO 561 -13.862  10.474   2.239
  367    H    LEU 562           H        LEU 562 -11.128   7.221  -1.037
  368    HA   LEU 562           HA       LEU 562  -9.203   6.089   0.901
  369   1HB   LEU 562          2HB       LEU 562  -9.862   3.776  -0.053
  370   2HB   LEU 562          1HB       LEU 562 -10.887   4.502   1.172
  371    HG   LEU 562           HG       LEU 562 -12.257   3.530  -0.536
  372   1HD1  LEU 562          3HD1      LEU 562 -12.520   6.155   0.245
  373   2HD1  LEU 562          2HD1      LEU 562 -12.597   6.269  -1.515
  374   3HD1  LEU 562          1HD1      LEU 562 -13.723   5.229  -0.650
  375   1HD2  LEU 562          3HD2      LEU 562 -10.234   3.818  -2.186
  376   2HD2  LEU 562          2HD2      LEU 562 -11.897   3.717  -2.785
  377   3HD2  LEU 562          1HD2      LEU 562 -11.111   5.287  -2.656
  378    H    TRP 563           H        TRP 563  -7.205   5.951   0.044
  379    HA   TRP 563           HA       TRP 563  -6.762   6.601  -2.730
  380   1HB   TRP 563          2HB       TRP 563  -4.981   5.570  -0.597
  381   2HB   TRP 563          1HB       TRP 563  -4.440   5.591  -2.230
  382    HD1  TRP 563           HD1      TRP 563  -5.956   8.300   0.244
  383    HE1  TRP 563           HE1      TRP 563  -4.738  10.479  -0.355
  384    HE3  TRP 563           HE3      TRP 563  -3.171   6.676  -3.643
  385    HZ2  TRP 563           HZ2      TRP 563  -2.879  11.445  -2.346
  386    HZ3  TRP 563           HZ3      TRP 563  -1.705   8.231  -4.886
  387    HH2  TRP 563           HH2      TRP 563  -1.582  10.552  -4.280
  388    H    TYR 564           H        TYR 564  -5.001   4.731  -3.766
  389    HA   TYR 564           HA       TYR 564  -6.303   2.101  -3.414
  390   1HB   TYR 564          2HB       TYR 564  -7.185   4.090  -5.190
  391   2HB   TYR 564          1HB       TYR 564  -6.499   2.771  -6.141
  392    HD1  TYR 564           HD2      TYR 564  -7.137   0.365  -5.221
  393    HD2  TYR 564           HD1      TYR 564  -9.294   4.018  -4.652
  394    HE1  TYR 564           HE2      TYR 564  -9.246  -0.918  -4.829
  395    HE2  TYR 564           HE1      TYR 564 -11.348   2.799  -4.284
  396    HH   TYR 564           HH       TYR 564 -12.280   0.755  -3.961
  397    H    VAL 565           H        VAL 565  -4.920   0.544  -3.902
  398    HA   VAL 565           HA       VAL 565  -3.420   0.610  -6.324
  399    HB   VAL 565           HB       VAL 565  -1.937   1.146  -3.786
  400   1HG1  VAL 565          2HG1      VAL 565  -1.119  -0.691  -5.942
  401   2HG1  VAL 565          1HG1      VAL 565   0.030   0.603  -5.603
  402   3HG1  VAL 565          3HG1      VAL 565  -0.455  -0.503  -4.319
  403   1HG2  VAL 565          1HG2      VAL 565  -2.238   2.170  -6.528
  404   2HG2  VAL 565          3HG2      VAL 565  -2.155   3.030  -4.994
  405   3HG2  VAL 565          2HG2      VAL 565  -0.678   2.384  -5.732
  406    H    THR 566           H        THR 566  -3.075  -1.390  -7.044
  407    HA   THR 566           HA       THR 566  -3.331  -3.536  -5.008
  408    HB   THR 566           HB       THR 566  -4.909  -3.320  -7.162
  409    HG1  THR 566           HG1      THR 566  -4.781  -4.989  -5.492
  410   1HG2  THR 566          3HG2      THR 566  -2.961  -3.392  -8.726
  411   2HG2  THR 566          2HG2      THR 566  -2.608  -5.017  -8.142
  412   3HG2  THR 566          1HG2      THR 566  -4.116  -4.698  -9.002
  413    H    VAL 567           H        VAL 567  -1.303  -4.020  -4.390
  414    HA   VAL 567           HA       VAL 567   0.849  -4.147  -6.427
  415    HB   VAL 567           HB       VAL 567   0.911  -4.001  -3.403
  416   1HG1  VAL 567          2HG1      VAL 567   2.731  -5.440  -5.110
  417   2HG1  VAL 567          1HG1      VAL 567   3.553  -4.006  -4.490
  418   3HG1  VAL 567          3HG1      VAL 567   2.846  -5.169  -3.370
  419   1HG2  VAL 567          1HG2      VAL 567   1.186  -2.136  -5.557
  420   2HG2  VAL 567          3HG2      VAL 567   1.327  -1.823  -3.826
  421   3HG2  VAL 567          2HG2      VAL 567   2.751  -2.284  -4.760
  422    H    THR 568           H        THR 568   1.479  -6.143  -7.097
  423    HA   THR 568           HA       THR 568   0.090  -8.468  -6.311
  424    HB   THR 568           HB       THR 568   2.375  -9.518  -7.267
  425    HG1  THR 568           HG1      THR 568   2.881  -7.781  -8.944
  426   1HG2  THR 568          1HG2      THR 568   0.169  -8.125  -8.793
  427   2HG2  THR 568          3HG2      THR 568   1.350  -9.194  -9.552
  428   3HG2  THR 568          2HG2      THR 568   0.244  -9.828  -8.331
  429    H    LEU 569           H        LEU 569   0.636 -10.201  -5.056
  430    HA   LEU 569           HA       LEU 569   3.038 -10.224  -3.385
  431   1HB   LEU 569          2HB       LEU 569   0.273  -9.773  -2.201
  432   2HB   LEU 569          1HB       LEU 569   1.650 -10.339  -1.254
  433    HG   LEU 569           HG       LEU 569   1.549  -7.738  -2.823
  434   1HD1  LEU 569          3HD1      LEU 569   0.861  -8.463  -0.042
  435   2HD1  LEU 569          2HD1      LEU 569   1.973  -7.090  -0.184
  436   3HD1  LEU 569          1HD1      LEU 569   0.397  -7.043  -0.985
  437   1HD2  LEU 569          1HD2      LEU 569   3.707  -9.300  -1.590
  438   2HD2  LEU 569          3HD2      LEU 569   3.802  -7.975  -2.750
  439   3HD2  LEU 569          2HD2      LEU 569   3.646  -7.629  -1.029
  440    HA   PRO 570           HA       PRO 570   1.169 -14.240  -4.597
  441   1HB   PRO 570          2HB       PRO 570   3.357 -15.144  -5.982
  442   2HB   PRO 570          1HB       PRO 570   2.089 -14.144  -6.710
  443   1HG   PRO 570          2HG       PRO 570   4.859 -13.384  -5.950
  444   2HG   PRO 570          1HG       PRO 570   3.775 -12.632  -7.131
  445   1HD   PRO 570          2HD       PRO 570   4.329 -11.708  -4.481
  446   2HD   PRO 570          1HD       PRO 570   3.117 -11.059  -5.608
  447    H    ALA 571           H        ALA 571   2.554 -16.487  -4.627
  448    HA   ALA 571           HA       ALA 571   3.683 -18.085  -3.359
  449   1HB   ALA 571          1HB       ALA 571   5.507 -16.244  -3.510
  450   2HB   ALA 571          3HB       ALA 571   5.046 -15.863  -1.851
  451   3HB   ALA 571          2HB       ALA 571   5.666 -17.465  -2.248
  452    H    GLY 572           H        GLY 572   1.389 -16.121  -2.284
  453   1HA   GLY 572          2HA       GLY 572   0.022 -16.078  -0.374
  454   2HA   GLY 572          1HA       GLY 572   0.641 -17.698  -0.044
  455    H    GLU 573           H        GLU 573   0.246 -15.078   1.686
  456    HA   GLU 573           HA       GLU 573   2.361 -15.601   3.501
  457   1HB   GLU 573          2HB       GLU 573   3.283 -14.350   1.177
  458   2HB   GLU 573          1HB       GLU 573   3.246 -13.082   2.401
  459   1HG   GLU 573          2HG       GLU 573   5.222 -13.914   3.121
  460   2HG   GLU 573          1HG       GLU 573   4.286 -15.258   3.778
  461    H    SER 574           H        SER 574   2.271 -14.351   5.349
  462    HA   SER 574           HA       SER 574   0.041 -12.411   5.527
  463   1HB   SER 574          2HB       SER 574   0.099 -13.833   7.426
  464   2HB   SER 574          1HB       SER 574   1.856 -13.767   7.529
  465    HG   SER 574           HG       SER 574   0.382 -11.395   7.756
  466    H    PHE 575           H        PHE 575   1.805 -11.470   3.845
  467    HA   PHE 575           HA       PHE 575   4.143 -10.226   4.375
  468   1HB   PHE 575          2HB       PHE 575   1.802  -8.937   2.948
  469   2HB   PHE 575          1HB       PHE 575   3.499  -8.486   2.766
  470    HD1  PHE 575           HD1      PHE 575   5.080  -9.934   1.641
  471    HD2  PHE 575           HD2      PHE 575   0.939 -11.071   1.992
  472    HE1  PHE 575           HE1      PHE 575   5.416 -11.688  -0.074
  473    HE2  PHE 575           HE2      PHE 575   1.301 -12.825   0.284
  474    HZ   PHE 575           HZ       PHE 575   3.524 -13.132  -0.755
  475    H    GLU 576           H        GLU 576   4.570  -7.851   4.719
  476    HA   GLU 576           HA       GLU 576   2.783  -6.561   6.703
  477   1HB   GLU 576          2HB       GLU 576   5.225  -7.898   7.389
  478   2HB   GLU 576          1HB       GLU 576   5.465  -6.159   7.576
  479   1HG   GLU 576          2HG       GLU 576   3.217  -6.153   8.823
  480   2HG   GLU 576          1HG       GLU 576   3.387  -7.907   8.897
  481    H    TYR 577           H        TYR 577   2.543  -4.485   5.986
  482    HA   TYR 577           HA       TYR 577   4.870  -2.992   5.090
  483   1HB   TYR 577          2HB       TYR 577   3.807  -2.422   2.841
  484   2HB   TYR 577          1HB       TYR 577   4.545  -4.011   2.994
  485    HD1  TYR 577           HD2      TYR 577   1.447  -3.756   4.835
  486    HD2  TYR 577           HD1      TYR 577   3.084  -4.462   0.925
  487    HE1  TYR 577           HE2      TYR 577  -0.667  -4.815   4.134
  488    HE2  TYR 577           HE1      TYR 577   0.979  -5.478   0.226
  489    HH   TYR 577           HH       TYR 577  -1.033  -6.183   0.860
  490    H    LYS 578           H        LYS 578   4.162  -0.719   4.291
  491    HA   LYS 578           HA       LYS 578   1.558   0.124   5.381
  492   1HB   LYS 578          2HB       LYS 578   3.528   0.082   7.190
  493   2HB   LYS 578          1HB       LYS 578   3.875   1.647   6.448
  494   1HG   LYS 578          2HG       LYS 578   2.185   2.574   7.603
  495   2HG   LYS 578          1HG       LYS 578   1.054   1.480   6.807
  496   1HD   LYS 578          2HD       LYS 578   1.764  -0.272   8.530
  497   2HD   LYS 578          1HD       LYS 578   2.534   1.052   9.405
  498   1HE   LYS 578          2HE       LYS 578  -0.395   0.912   8.632
  499   2HE   LYS 578          1HE       LYS 578   0.254   0.666  10.253
  500   1HZ   LYS 578          3HZ       LYS 578   1.334   3.007   9.679
  501   2HZ   LYS 578          2HZ       LYS 578  -0.072   3.127   8.732
  502   3HZ   LYS 578          1HZ       LYS 578  -0.191   2.857  10.405
  503    H    PHE 579           H        PHE 579   1.714   2.736   5.416
  504    HA   PHE 579           HA       PHE 579   2.252   3.427   2.609
  505   1HB   PHE 579          2HB       PHE 579   0.599   5.022   2.874
  506   2HB   PHE 579          1HB       PHE 579   0.132   3.912   4.144
  507    HD1  PHE 579           HD2      PHE 579   1.932   7.086   3.456
  508    HD2  PHE 579           HD1      PHE 579   0.265   4.500   6.456
  509    HE1  PHE 579           HE2      PHE 579   2.222   8.870   5.155
  510    HE2  PHE 579           HE1      PHE 579   0.555   6.285   8.154
  511    HZ   PHE 579           HZ       PHE 579   1.534   8.469   7.503
  512    H    ILE 580           H        ILE 580   2.987   5.774   2.274
  513    HA   ILE 580           HA       ILE 580   5.137   6.708   4.152
  514    HB   ILE 580           HB       ILE 580   6.288   7.046   1.683
  515   1HG1  ILE 580          2HG1      ILE 580   5.200   4.228   1.742
  516   2HG1  ILE 580          1HG1      ILE 580   4.520   5.510   0.730
  517   1HG2  ILE 580          2HG2      ILE 580   6.940   5.850   4.058
  518   2HG2  ILE 580          1HG2      ILE 580   7.083   4.524   2.908
  519   3HG2  ILE 580          3HG2      ILE 580   7.986   6.020   2.641
  520   1HD1  ILE 580          2HD1      ILE 580   7.393   4.569   0.670
  521   2HD1  ILE 580          1HD1      ILE 580   6.164   4.153  -0.523
  522   3HD1  ILE 580          3HD1      ILE 580   6.698   5.825  -0.349
  523    H    ARG 581           H        ARG 581   5.359   8.964   3.989
  524    HA   ARG 581           HA       ARG 581   3.329  10.435   2.412
  525   1HB   ARG 581          2HB       ARG 581   3.579  11.211   4.680
  526   2HB   ARG 581          1HB       ARG 581   5.336  11.230   4.539
  527   1HG   ARG 581          2HG       ARG 581   5.361  13.179   3.284
  528   2HG   ARG 581          1HG       ARG 581   3.734  12.916   2.653
  529   1HD   ARG 581          2HD       ARG 581   3.061  13.179   5.204
  530   2HD   ARG 581          1HD       ARG 581   4.585  14.063   5.286
  531    HE   ARG 581           HE       ARG 581   2.210  14.862   3.692
  532   1HH1  ARG 581          1HH2      ARG 581   4.189  15.829   1.979
  533   2HH1  ARG 581          2HH2      ARG 581   4.791  17.280   2.708
  534   1HH2  ARG 581          2HH1      ARG 581   3.522  16.544   5.850
  535   2HH2  ARG 581          1HH1      ARG 581   4.413  17.686   4.899
  536    H    ILE 582           H        ILE 582   4.192  10.294   0.237
  537    HA   ILE 582           HA       ILE 582   7.009  11.138  -0.050
  538    HB   ILE 582           HB       ILE 582   5.076   9.985  -2.071
  539   1HG1  ILE 582          2HG1      ILE 582   6.559   7.986  -1.867
  540   2HG1  ILE 582          1HG1      ILE 582   7.462   8.801  -0.593
  541   1HG2  ILE 582          1HG2      ILE 582   6.941  11.561  -2.927
  542   2HG2  ILE 582          3HG2      ILE 582   8.068  10.302  -2.414
  543   3HG2  ILE 582          2HG2      ILE 582   6.842   9.949  -3.637
  544   1HD1  ILE 582          3HD1      ILE 582   4.496   8.581  -0.326
  545   2HD1  ILE 582          2HD1      ILE 582   5.487   7.171   0.029
  546   3HD1  ILE 582          1HD1      ILE 582   5.730   8.663   0.928
  547    H    GLU 583           H        GLU 583   7.542  13.097  -0.528
  548    HA   GLU 583           HA       GLU 583   5.599  15.158  -1.190
  549   1HB   GLU 583          2HB       GLU 583   8.422  14.952  -0.393
  550   2HB   GLU 583          1HB       GLU 583   8.118  16.253  -1.537
  551   1HG   GLU 583          2HG       GLU 583   5.992  16.440   0.255
  552   2HG   GLU 583          1HG       GLU 583   7.368  16.032   1.282
  553    H    SER 584           H        SER 584   6.732  16.765  -3.040
  554    HA   SER 584           HA       SER 584   6.178  15.543  -5.522
  555   1HB   SER 584          2HB       SER 584   7.626  18.019  -4.693
  556   2HB   SER 584          1HB       SER 584   7.827  17.471  -6.355
  557    HG   SER 584           HG       SER 584   5.258  17.569  -5.232
  558    H    ASP 585           H        ASP 585   8.886  15.392  -3.504
  559    HA   ASP 585           HA       ASP 585  10.476  13.998  -5.604
  560   1HB   ASP 585          2HB       ASP 585  12.353  14.409  -3.805
  561   2HB   ASP 585          1HB       ASP 585  11.861  15.732  -4.863
  562    H    ASP 586           H        ASP 586  12.163  12.570  -3.997
  563    HA   ASP 586           HA       ASP 586  10.393  10.486  -2.987
  564   1HB   ASP 586          2HB       ASP 586  12.650   9.300  -2.610
  565   2HB   ASP 586          1HB       ASP 586  12.183   9.641  -4.277
  566    H    SER 587           H        SER 587  11.113  13.190  -1.478
  567    HA   SER 587           HA       SER 587  12.306  12.094   0.990
  568   1HB   SER 587          2HB       SER 587  10.888  14.737   0.484
  569   2HB   SER 587          1HB       SER 587  11.744  14.308   1.963
  570    HG   SER 587           HG       SER 587  13.593  13.935   0.484
  571    H    VAL 588           H        VAL 588  10.997  11.201   2.718
  572    HA   VAL 588           HA       VAL 588   8.126  11.785   2.494
  573    HB   VAL 588           HB       VAL 588   7.394   9.694   1.797
  574   1HG1  VAL 588          3HG1      VAL 588  10.177   9.957   0.721
  575   2HG1  VAL 588          2HG1      VAL 588   9.074   8.683   0.221
  576   3HG1  VAL 588          1HG1      VAL 588   8.662  10.376  -0.077
  577   1HG2  VAL 588          1HG2      VAL 588   9.808   8.665   3.199
  578   2HG2  VAL 588          3HG2      VAL 588   8.118   8.193   3.356
  579   3HG2  VAL 588          2HG2      VAL 588   9.027   7.699   1.939
  580    H    GLU 589           H        GLU 589   6.902  10.094   3.892
  581    HA   GLU 589           HA       GLU 589   8.218   9.797   6.555
  582   1HB   GLU 589          2HB       GLU 589   5.266  10.391   6.151
  583   2HB   GLU 589          1HB       GLU 589   6.148  10.351   7.675
  584   1HG   GLU 589          2HG       GLU 589   7.538  12.272   6.860
  585   2HG   GLU 589          1HG       GLU 589   6.489  12.374   5.445
  586    H    TRP 590           H        TRP 590   7.010   8.009   7.809
  587    HA   TRP 590           HA       TRP 590   6.196   6.014   5.775
  588   1HB   TRP 590          2HB       TRP 590   8.548   6.287   7.506
  589   2HB   TRP 590          1HB       TRP 590   7.878   4.709   7.330
  590    HD1  TRP 590           HD1      TRP 590   8.855   7.586   4.958
  591    HE1  TRP 590           HE1      TRP 590  10.107   6.546   2.964
  592    HE3  TRP 590           HE3      TRP 590   8.325   2.678   6.114
  593    HZ2  TRP 590           HZ2      TRP 590  10.784   3.919   1.978
  594    HZ3  TRP 590           HZ3      TRP 590   9.278   0.915   4.652
  595    HH2  TRP 590           HH2      TRP 590  10.492   1.529   2.576
  596    H    GLU 591           H        GLU 591   5.930   3.908   6.786
  597    HA   GLU 591           HA       GLU 591   3.765   3.327   8.245
  598   1HB   GLU 591          2HB       GLU 591   5.230   1.525   9.444
  599   2HB   GLU 591          1HB       GLU 591   5.130   1.436   7.707
  600   1HG   GLU 591          2HG       GLU 591   7.223   2.862   7.611
  601   2HG   GLU 591          1HG       GLU 591   7.358   2.622   9.353
  602    H    SER 592           H        SER 592   3.047   3.442  10.397
  603    HA   SER 592           HA       SER 592   4.566   5.093  12.270
  604   1HB   SER 592          2HB       SER 592   1.948   4.505  12.212
  605   2HB   SER 592          1HB       SER 592   2.470   3.129  13.178
  606    HG   SER 592           HG       SER 592   3.664   4.895  14.396
  607    H    ASP 593           H        ASP 593   4.125   2.913  14.462
  608    HA   ASP 593           HA       ASP 593   6.570   1.456  13.664
  609   1HB   ASP 593          2HB       ASP 593   5.165   1.900  16.255
  610   2HB   ASP 593          1HB       ASP 593   6.076   0.401  16.055
  611    HA   PRO 594           HA       PRO 594   3.610  -2.162  14.311
  612   1HB   PRO 594          2HB       PRO 594   0.945  -1.623  14.579
  613   2HB   PRO 594          1HB       PRO 594   2.051  -1.808  15.948
  614   1HG   PRO 594          2HG       PRO 594   0.841   0.680  14.840
  615   2HG   PRO 594          1HG       PRO 594   1.432   0.357  16.478
  616   1HD   PRO 594          2HD       PRO 594   2.792   1.816  14.472
  617   2HD   PRO 594          1HD       PRO 594   3.498   1.229  15.992
  618    H    ASN 595           H        ASN 595   4.239  -2.113  12.127
  619    HA   ASN 595           HA       ASN 595   2.691  -0.859  10.043
  620   1HB   ASN 595          2HB       ASN 595   4.263  -3.369   9.518
  621   2HB   ASN 595          1HB       ASN 595   4.063  -1.953   8.494
  622   1HD2  ASN 595          2HD2      ASN 595   7.479  -1.708   9.899
  623   2HD2  ASN 595          1HD2      ASN 595   6.660  -2.733   8.821
  624    H    ARG 596           H        ARG 596   1.426  -2.100   8.368
  625    HA   ARG 596           HA       ARG 596  -0.414  -3.940   9.762
  626   1HB   ARG 596          2HB       ARG 596  -0.502  -2.295   7.269
  627   2HB   ARG 596          1HB       ARG 596  -1.520  -3.735   7.341
  628   1HG   ARG 596          2HG       ARG 596  -2.410  -2.918   9.546
  629   2HG   ARG 596          1HG       ARG 596  -1.507  -1.423   9.300
  630   1HD   ARG 596          2HD       ARG 596  -2.974  -0.648   7.746
  631   2HD   ARG 596          1HD       ARG 596  -3.159  -2.234   6.996
  632    HE   ARG 596           HE       ARG 596  -4.972  -2.686   8.482
  633   1HH1  ARG 596          1HH2      ARG 596  -3.416  -1.293  10.813
  634   2HH1  ARG 596          2HH2      ARG 596  -4.554  -0.054  11.224
  635   1HH2  ARG 596          2HH1      ARG 596  -6.410  -0.426   8.318
  636   2HH2  ARG 596          1HH1      ARG 596  -6.250   0.436   9.812
  637    H    GLU 597           H        GLU 597  -1.277  -5.754   8.153
  638    HA   GLU 597           HA       GLU 597   0.970  -6.963   6.649
  639   1HB   GLU 597          2HB       GLU 597   0.659  -9.129   7.799
  640   2HB   GLU 597          1HB       GLU 597   1.160  -7.872   8.932
  641   1HG   GLU 597          2HG       GLU 597  -1.429  -7.522   9.246
  642   2HG   GLU 597          1HG       GLU 597  -1.532  -9.164   8.608
  643    H    TYR 598           H        TYR 598   0.165  -8.952   5.453
  644    HA   TYR 598           HA       TYR 598  -2.739  -8.985   4.984
  645   1HB   TYR 598          2HB       TYR 598  -1.889  -7.307   3.369
  646   2HB   TYR 598          1HB       TYR 598  -0.804  -8.533   2.741
  647    HD1  TYR 598           HD2      TYR 598  -4.467  -8.155   3.556
  648    HD2  TYR 598           HD1      TYR 598  -1.472  -9.839   0.957
  649    HE1  TYR 598           HE2      TYR 598  -6.233  -9.188   2.185
  650    HE2  TYR 598           HE1      TYR 598  -3.262 -10.872  -0.410
  651    HH   TYR 598           HH       TYR 598  -6.488 -11.095   0.654
  652    H    THR 599           H        THR 599  -3.437 -11.037   4.453
  653    HA   THR 599           HA       THR 599  -1.287 -13.064   4.121
  654    HB   THR 599           HB       THR 599  -3.444 -14.590   4.516
  655    HG1  THR 599           HG1      THR 599  -4.025 -12.327   6.087
  656   1HG2  THR 599          2HG2      THR 599  -1.221 -13.857   5.915
  657   2HG2  THR 599          1HG2      THR 599  -2.502 -13.324   7.007
  658   3HG2  THR 599          3HG2      THR 599  -2.423 -15.012   6.498
  659    H    VAL 600           H        VAL 600  -0.924 -13.692   2.110
  660    HA   VAL 600           HA       VAL 600  -2.943 -13.256   0.029
  661    HB   VAL 600           HB       VAL 600  -0.030 -13.994   0.028
  662   1HG1  VAL 600          2HG1      VAL 600  -1.830 -15.091  -1.826
  663   2HG1  VAL 600          1HG1      VAL 600  -1.132 -13.702  -2.651
  664   3HG1  VAL 600          3HG1      VAL 600  -0.088 -14.964  -2.004
  665   1HG2  VAL 600          3HG2      VAL 600  -1.271 -11.606  -0.015
  666   2HG2  VAL 600          2HG2      VAL 600   0.265 -11.893  -0.834
  667   3HG2  VAL 600          1HG2      VAL 600  -1.248 -11.945  -1.750
  668    HA   PRO 601           HA       PRO 601  -4.094 -17.567   0.486
  669   1HB   PRO 601          2HB       PRO 601  -6.160 -17.446  -1.328
  670   2HB   PRO 601          1HB       PRO 601  -6.306 -16.896   0.350
  671   1HG   PRO 601          2HG       PRO 601  -6.036 -15.274  -2.146
  672   2HG   PRO 601          1HG       PRO 601  -6.843 -14.864  -0.622
  673   1HD   PRO 601          2HD       PRO 601  -4.303 -13.936  -1.403
  674   2HD   PRO 601          1HD       PRO 601  -4.942 -13.912   0.252
  675    H    GLN 602           H        GLN 602  -5.108 -18.893  -1.858
  676    HA   GLN 602           HA       GLN 602  -3.070 -18.445  -3.954
  677   1HB   GLN 602          2HB       GLN 602  -3.327 -21.001  -2.353
  678   2HB   GLN 602          1HB       GLN 602  -2.526 -20.929  -3.923
  679   1HG   GLN 602          2HG       GLN 602  -0.660 -20.394  -2.761
  680   2HG   GLN 602          1HG       GLN 602  -1.395 -18.801  -2.575
  681   1HE2  GLN 602          1HE2      GLN 602  -0.273 -21.545  -0.847
  682   2HE2  GLN 602          2HE2      GLN 602  -0.926 -21.143   0.668
  683    H    ALA 603           H        ALA 603  -5.618 -17.845  -4.392
  684    HA   ALA 603           HA       ALA 603  -6.894 -20.235  -5.633
  685   1HB   ALA 603          1HB       ALA 603  -7.984 -18.261  -4.050
  686   2HB   ALA 603          3HB       ALA 603  -8.387 -17.701  -5.673
  687   3HB   ALA 603          2HB       ALA 603  -8.902 -19.300  -5.138
  688    H    CYS 604           H        CYS 604  -7.890 -19.862  -7.816
  689    HA   CYS 604           HA       CYS 604  -6.024 -18.275  -9.489
  690   1HB   CYS 604          2HB       CYS 604  -6.954 -20.783  -9.848
  691   2HB   CYS 604          1HB       CYS 604  -8.190 -19.890 -10.734
  692    H    GLY 605           H        GLY 605  -9.522 -18.929  -9.843
  693   1HA   GLY 605          2HA       GLY 605 -10.194 -16.638 -11.272
  694   2HA   GLY 605          1HA       GLY 605 -11.306 -17.420 -10.146
  695    H    THR 606           H        THR 606 -10.774 -16.876  -7.742
  696    HA   THR 606           HA       THR 606 -10.709 -13.945  -7.542
  697    HB   THR 606           HB       THR 606 -12.338 -15.134  -6.186
  698    HG1  THR 606           HG1      THR 606 -10.463 -14.505  -4.241
  699   1HG2  THR 606          3HG2      THR 606 -10.264 -17.027  -5.939
  700   2HG2  THR 606          2HG2      THR 606 -10.560 -16.422  -4.308
  701   3HG2  THR 606          1HG2      THR 606 -11.881 -17.123  -5.242
  702    H    SER 607           H        SER 607  -8.383 -13.902  -8.303
  703    HA   SER 607           HA       SER 607  -6.449 -14.714  -6.192
  704   1HB   SER 607          2HB       SER 607  -4.955 -13.648  -8.240
  705   2HB   SER 607          1HB       SER 607  -5.347 -15.356  -8.069
  706    HG   SER 607           HG       SER 607  -6.073 -14.837 -10.054
  707    H    THR 608           H        THR 608  -8.339 -12.329  -6.114
  708    HA   THR 608           HA       THR 608  -6.451 -10.057  -6.216
  709    HB   THR 608           HB       THR 608  -8.547  -8.801  -5.389
  710    HG1  THR 608           HG1      THR 608  -9.585 -10.734  -4.658
  711   1HG2  THR 608          1HG2      THR 608  -7.757  -9.751  -7.950
  712   2HG2  THR 608          3HG2      THR 608  -9.516  -9.848  -7.874
  713   3HG2  THR 608          2HG2      THR 608  -8.703  -8.311  -7.574
  714    H    ALA 609           H        ALA 609  -6.685  -8.524  -4.184
  715    HA   ALA 609           HA       ALA 609  -6.938 -10.039  -1.661
  716   1HB   ALA 609          2HB       ALA 609  -4.365  -9.200  -2.846
  717   2HB   ALA 609          1HB       ALA 609  -4.582  -8.765  -1.152
  718   3HB   ALA 609          3HB       ALA 609  -4.701 -10.447  -1.657
  719    H    THR 610           H        THR 610  -5.966  -8.195   0.102
  720    HA   THR 610           HA       THR 610  -6.965  -5.522  -0.608
  721    HB   THR 610           HB       THR 610  -8.246  -6.951   1.707
  722    HG1  THR 610           HG1      THR 610  -9.548  -6.635  -0.761
  723   1HG2  THR 610          2HG2      THR 610  -8.523  -4.357   0.282
  724   2HG2  THR 610          1HG2      THR 610 -10.036  -5.134   0.747
  725   3HG2  THR 610          3HG2      THR 610  -8.829  -4.753   1.974
  726    H    VAL 611           H        VAL 611  -6.753  -4.017   1.180
  727    HA   VAL 611           HA       VAL 611  -5.560  -4.580   3.678
  728    HB   VAL 611           HB       VAL 611  -3.653  -4.157   1.416
  729   1HG1  VAL 611          2HG1      VAL 611  -3.460  -2.064   2.798
  730   2HG1  VAL 611          1HG1      VAL 611  -3.133  -3.074   4.206
  731   3HG1  VAL 611          3HG1      VAL 611  -2.007  -3.063   2.849
  732   1HG2  VAL 611          2HG2      VAL 611  -3.988  -5.797   3.863
  733   2HG2  VAL 611          1HG2      VAL 611  -3.277  -6.235   2.313
  734   3HG2  VAL 611          3HG2      VAL 611  -2.330  -5.332   3.490
  735    H    THR 612           H        THR 612  -6.643  -2.980   4.673
  736    HA   THR 612           HA       THR 612  -7.253  -0.464   3.326
  737    HB   THR 612           HB       THR 612  -7.610  -0.718   6.267
  738    HG1  THR 612           HG1      THR 612  -9.381  -2.126   5.912
  739   1HG2  THR 612          1HG2      THR 612  -8.594   0.877   4.204
  740   2HG2  THR 612          3HG2      THR 612  -9.930  -0.211   4.581
  741   3HG2  THR 612          2HG2      THR 612  -9.228   0.795   5.848
  742    H    ASP 613           H        ASP 613  -5.450   0.721   2.950
  743    HA   ASP 613           HA       ASP 613  -3.462   1.172   5.088
  744   1HB   ASP 613          2HB       ASP 613  -3.760   2.160   2.241
  745   2HB   ASP 613          1HB       ASP 613  -2.509   2.761   3.333
  746    H    THR 614           H        THR 614  -3.527   3.002   6.382
  747    HA   THR 614           HA       THR 614  -5.714   4.937   5.739
  748    HB   THR 614           HB       THR 614  -4.601   4.139   8.441
  749    HG1  THR 614           HG1      THR 614  -6.121   2.700   7.690
  750   1HG2  THR 614          1HG2      THR 614  -5.704   6.604   7.546
  751   2HG2  THR 614          3HG2      THR 614  -6.918   5.816   8.557
  752   3HG2  THR 614          2HG2      THR 614  -5.306   6.131   9.202
  753    H    TRP 615           H        TRP 615  -5.161   7.115   5.640
  754    HA   TRP 615           HA       TRP 615  -2.280   7.654   6.203
  755   1HB   TRP 615          2HB       TRP 615  -2.520   7.889   3.894
  756   2HB   TRP 615          1HB       TRP 615  -4.087   8.650   4.045
  757    HD1  TRP 615           HD1      TRP 615  -4.071  11.207   5.073
  758    HE1  TRP 615           HE1      TRP 615  -2.281  13.047   4.760
  759    HE3  TRP 615           HE3      TRP 615  -0.200   8.319   3.559
  760    HZ2  TRP 615           HZ2      TRP 615   0.471  13.237   3.953
  761    HZ3  TRP 615           HZ3      TRP 615   2.007   9.326   3.022
  762    HH2  TRP 615           HH2      TRP 615   2.331  11.785   3.204
  763    H    ARG 616           H        ARG 616  -5.578   8.851   6.497
  764    HA   ARG 616           HA       ARG 616  -4.880  11.398   7.661
  765   1HB   ARG 616          2HB       ARG 616  -7.082  11.159   6.735
  766   2HB   ARG 616          1HB       ARG 616  -7.412   9.739   7.728
  767   1HG   ARG 616          2HG       ARG 616  -7.268  11.127   9.765
  768   2HG   ARG 616          1HG       ARG 616  -6.949  12.550   8.771
  769   1HD   ARG 616          2HD       ARG 616  -9.145  12.832   8.367
  770   2HD   ARG 616          1HD       ARG 616  -9.301  11.166   7.809
  771    HE   ARG 616           HE       ARG 616  -9.204  11.503  10.731
  772   1HH1  ARG 616          1HH1      ARG 616 -11.223  11.754   7.974
  773   2HH1  ARG 616          2HH1      ARG 616 -12.583  10.987   8.723
  774   1HH2  ARG 616          1HH2      ARG 616 -10.894  10.271  11.666
  775   2HH2  ARG 616          2HH2      ARG 616 -12.397  10.147  10.813
   
  No H/Q in entry =         775
  Start of MODEL    3
    1   1H    CYS 509          3H        CYS 509   0.850 -23.150 -10.388
    2   2H    CYS 509          2H        CYS 509  -0.711 -22.720  -9.874
    3   3H    CYS 509          1H        CYS 509  -0.249 -24.354  -9.920
    4    HA   CYS 509           HA       CYS 509  -0.456 -24.522 -12.170
    5   1HB   CYS 509          2HB       CYS 509  -2.307 -22.173 -11.854
    6   2HB   CYS 509          1HB       CYS 509  -2.574 -23.687 -12.716
    7    H    THR 510           H        THR 510  -0.856 -20.989 -11.799
    8    HA   THR 510           HA       THR 510   0.861 -20.633 -14.197
    9    HB   THR 510           HB       THR 510  -0.592 -18.410 -12.776
   10    HG1  THR 510           HG1      THR 510  -2.419 -18.955 -13.984
   11   1HG2  THR 510          1HG2      THR 510   1.023 -18.149 -14.777
   12   2HG2  THR 510          3HG2      THR 510  -0.257 -18.893 -15.734
   13   3HG2  THR 510          2HG2      THR 510  -0.554 -17.370 -14.896
   14    H    THR 511           H        THR 511   1.197 -17.741 -12.941
   15    HA   THR 511           HA       THR 511   3.868 -18.073 -12.059
   16    HB   THR 511           HB       THR 511   2.373 -15.965 -12.775
   17    HG1  THR 511           HG1      THR 511   4.757 -16.287 -12.017
   18   1HG2  THR 511          2HG2      THR 511   2.252 -15.976  -9.757
   19   2HG2  THR 511          1HG2      THR 511   2.042 -14.517 -10.721
   20   3HG2  THR 511          3HG2      THR 511   0.913 -15.858 -10.895
   21    HA   PRO 512           HA       PRO 512   3.441 -19.177  -7.859
   22   1HB   PRO 512          2HB       PRO 512   4.325 -17.130  -6.228
   23   2HB   PRO 512          1HB       PRO 512   5.399 -18.229  -7.115
   24   1HG   PRO 512          2HG       PRO 512   4.699 -15.394  -7.720
   25   2HG   PRO 512          1HG       PRO 512   6.166 -16.300  -8.126
   26   1HD   PRO 512          2HD       PRO 512   4.075 -15.712  -9.885
   27   2HD   PRO 512          1HD       PRO 512   5.318 -16.947 -10.166
   28    H    THR 513           H        THR 513   1.540 -19.470  -7.026
   29    HA   THR 513           HA       THR 513  -0.782 -18.186  -7.314
   30    HB   THR 513           HB       THR 513  -1.614 -19.334  -5.385
   31    HG1  THR 513           HG1      THR 513   1.008 -18.946  -4.517
   32   1HG2  THR 513          2HG2      THR 513   0.048 -20.513  -7.322
   33   2HG2  THR 513          1HG2      THR 513   0.527 -21.252  -5.791
   34   3HG2  THR 513          3HG2      THR 513  -1.154 -21.336  -6.320
   35    H    ALA 514           H        ALA 514  -0.278 -16.069  -7.454
   36    HA   ALA 514           HA       ALA 514   0.218 -14.556  -4.944
   37   1HB   ALA 514          2HB       ALA 514   1.291 -14.293  -7.464
   38   2HB   ALA 514          1HB       ALA 514   0.022 -13.069  -7.482
   39   3HB   ALA 514          3HB       ALA 514   1.281 -13.012  -6.248
   40    H    VAL 515           H        VAL 515  -1.032 -12.675  -4.467
   41    HA   VAL 515           HA       VAL 515  -3.714 -12.638  -5.720
   42    HB   VAL 515           HB       VAL 515  -3.186 -12.394  -2.755
   43   1HG1  VAL 515          3HG1      VAL 515  -5.129 -11.093  -3.786
   44   2HG1  VAL 515          2HG1      VAL 515  -5.818 -12.653  -4.231
   45   3HG1  VAL 515          1HG1      VAL 515  -5.572 -12.252  -2.532
   46   1HG2  VAL 515          3HG2      VAL 515  -3.345 -14.695  -4.384
   47   2HG2  VAL 515          2HG2      VAL 515  -3.456 -14.637  -2.625
   48   3HG2  VAL 515          1HG2      VAL 515  -4.921 -14.560  -3.603
   49    H    ALA 516           H        ALA 516  -4.326 -10.581  -6.332
   50    HA   ALA 516           HA       ALA 516  -2.432  -8.413  -5.844
   51   1HB   ALA 516          2HB       ALA 516  -3.798  -8.752  -7.986
   52   2HB   ALA 516          1HB       ALA 516  -5.175  -8.126  -7.080
   53   3HB   ALA 516          3HB       ALA 516  -3.754  -7.112  -7.334
   54    H    VAL 517           H        VAL 517  -2.464  -7.215  -4.082
   55    HA   VAL 517           HA       VAL 517  -4.985  -7.027  -2.483
   56    HB   VAL 517           HB       VAL 517  -2.269  -6.237  -1.493
   57   1HG1  VAL 517          1HG1      VAL 517  -4.923  -6.919  -0.376
   58   2HG1  VAL 517          3HG1      VAL 517  -3.540  -7.553   0.516
   59   3HG1  VAL 517          2HG1      VAL 517  -3.696  -5.816   0.236
   60   1HG2  VAL 517          3HG2      VAL 517  -3.041  -8.866  -2.406
   61   2HG2  VAL 517          2HG2      VAL 517  -1.484  -8.311  -1.793
   62   3HG2  VAL 517          1HG2      VAL 517  -2.724  -8.866  -0.677
   63    H    THR 518           H        THR 518  -6.004  -5.053  -2.383
   64    HA   THR 518           HA       THR 518  -4.575  -2.740  -3.528
   65    HB   THR 518           HB       THR 518  -7.061  -1.787  -2.831
   66    HG1  THR 518           HG1      THR 518  -7.931  -3.690  -2.262
   67   1HG2  THR 518          3HG2      THR 518  -5.572  -2.080  -5.095
   68   2HG2  THR 518          2HG2      THR 518  -6.923  -3.159  -5.446
   69   3HG2  THR 518          1HG2      THR 518  -7.224  -1.456  -5.083
   70    H    PHE 519           H        PHE 519  -3.792  -1.153  -2.458
   71    HA   PHE 519           HA       PHE 519  -3.968  -1.106   0.504
   72   1HB   PHE 519          2HB       PHE 519  -2.236   0.579  -1.310
   73   2HB   PHE 519          1HB       PHE 519  -1.946   0.133   0.367
   74    HD1  PHE 519           HD2      PHE 519  -2.920  -2.757   0.013
   75    HD2  PHE 519           HD1      PHE 519  -0.141  -0.341  -2.179
   76    HE1  PHE 519           HE2      PHE 519  -1.650  -4.788  -0.601
   77    HE2  PHE 519           HE1      PHE 519   1.127  -2.378  -2.813
   78    HZ   PHE 519           HZ       PHE 519   0.371  -4.613  -2.023
   79    H    ASP 520           H        ASP 520  -6.207  -0.120   0.441
   80    HA   ASP 520           HA       ASP 520  -6.363   2.529  -0.788
   81   1HB   ASP 520          2HB       ASP 520  -8.751   2.330   0.440
   82   2HB   ASP 520          1HB       ASP 520  -8.449   1.648  -1.161
   83    H    LEU 521           H        LEU 521  -6.440   4.449   0.093
   84    HA   LEU 521           HA       LEU 521  -5.980   4.742   3.002
   85   1HB   LEU 521          2HB       LEU 521  -5.056   6.226   0.729
   86   2HB   LEU 521          1HB       LEU 521  -5.861   7.278   1.862
   87    HG   LEU 521           HG       LEU 521  -4.296   6.997   3.426
   88   1HD1  LEU 521          1HD1      LEU 521  -4.232   4.229   2.684
   89   2HD1  LEU 521          3HD1      LEU 521  -2.639   4.892   3.089
   90   3HD1  LEU 521          2HD1      LEU 521  -3.970   5.036   4.243
   91   1HD2  LEU 521          1HD2      LEU 521  -2.869   6.422   0.848
   92   2HD2  LEU 521          3HD2      LEU 521  -3.156   7.991   1.609
   93   3HD2  LEU 521          2HD2      LEU 521  -2.030   6.844   2.342
   94    H    THR 522           H        THR 522  -7.361   5.549   4.308
   95    HA   THR 522           HA       THR 522  -9.715   6.980   3.159
   96    HB   THR 522           HB       THR 522 -10.106   6.985   5.879
   97    HG1  THR 522           HG1      THR 522  -9.607   4.859   6.547
   98   1HG2  THR 522          3HG2      THR 522 -11.513   6.253   3.808
   99   2HG2  THR 522          2HG2      THR 522 -10.971   4.626   4.239
  100   3HG2  THR 522          1HG2      THR 522 -11.902   5.582   5.394
  101    H    ALA 523           H        ALA 523  -8.580   8.845   2.577
  102    HA   ALA 523           HA       ALA 523  -7.720  10.551   4.828
  103   1HB   ALA 523          1HB       ALA 523  -5.891   9.102   3.029
  104   2HB   ALA 523          3HB       ALA 523  -5.574  10.840   3.125
  105   3HB   ALA 523          2HB       ALA 523  -5.580   9.863   4.593
  106    H    THR 524           H        THR 524  -8.917  12.333   4.341
  107    HA   THR 524           HA       THR 524  -9.225  13.192   1.530
  108    HB   THR 524           HB       THR 524 -11.157  13.285   3.124
  109    HG1  THR 524           HG1      THR 524 -11.266  15.792   2.796
  110   1HG2  THR 524          2HG2      THR 524  -9.103  14.442   4.708
  111   2HG2  THR 524          1HG2      THR 524 -10.385  15.645   4.515
  112   3HG2  THR 524          3HG2      THR 524 -10.761  14.057   5.190
  113    H    THR 525           H        THR 525  -6.619  13.269   2.500
  114    HA   THR 525           HA       THR 525  -5.760  15.732   3.636
  115    HB   THR 525           HB       THR 525  -4.375  13.793   1.766
  116    HG1  THR 525           HG1      THR 525  -4.486  12.831   3.658
  117   1HG2  THR 525          3HG2      THR 525  -3.275  16.215   3.215
  118   2HG2  THR 525          2HG2      THR 525  -2.274  14.952   2.498
  119   3HG2  THR 525          1HG2      THR 525  -3.306  15.947   1.472
  120    H    THR 526           H        THR 526  -4.466  17.431   2.387
  121    HA   THR 526           HA       THR 526  -6.132  18.433   0.204
  122    HB   THR 526           HB       THR 526  -5.021  19.867   2.002
  123    HG1  THR 526           HG1      THR 526  -4.936  21.501   0.602
  124   1HG2  THR 526          3HG2      THR 526  -2.598  19.330   0.262
  125   2HG2  THR 526          2HG2      THR 526  -2.676  20.498   1.581
  126   3HG2  THR 526          1HG2      THR 526  -2.814  18.773   1.922
  127    H    TYR 527           H        TYR 527  -5.046  19.185  -1.869
  128    HA   TYR 527           HA       TYR 527  -3.570  16.951  -3.025
  129   1HB   TYR 527          2HB       TYR 527  -5.314  18.649  -4.109
  130   2HB   TYR 527          1HB       TYR 527  -3.847  19.563  -4.456
  131    HD1  TYR 527           HD1      TYR 527  -5.425  16.201  -4.837
  132    HD2  TYR 527           HD2      TYR 527  -2.402  18.923  -6.217
  133    HE1  TYR 527           HE1      TYR 527  -4.930  14.688  -6.738
  134    HE2  TYR 527           HE2      TYR 527  -1.907  17.410  -8.118
  135    HH   TYR 527           HH       TYR 527  -2.935  14.235  -8.255
  136    H    GLY 528           H        GLY 528  -1.392  16.930  -3.638
  137   1HA   GLY 528          2HA       GLY 528   0.471  18.822  -4.069
  138   2HA   GLY 528          1HA       GLY 528   0.306  18.954  -2.318
  139    H    GLU 529           H        GLU 529  -0.003  16.311  -1.566
  140    HA   GLU 529           HA       GLU 529   2.660  15.192  -2.315
  141   1HB   GLU 529          2HB       GLU 529   1.062  14.183   0.012
  142   2HB   GLU 529          1HB       GLU 529   2.812  14.296  -0.177
  143   1HG   GLU 529          2HG       GLU 529   2.756  16.697   0.101
  144   2HG   GLU 529          1HG       GLU 529   0.993  16.706   0.071
  145    H    ASN 530           H        ASN 530   2.381  12.573  -1.628
  146    HA   ASN 530           HA       ASN 530  -0.061  11.467  -2.923
  147   1HB   ASN 530          2HB       ASN 530   2.111  11.930  -4.539
  148   2HB   ASN 530          1HB       ASN 530   2.511  10.349  -3.910
  149   1HD2  ASN 530          2HD2      ASN 530   0.032   8.652  -5.749
  150   2HD2  ASN 530          1HD2      ASN 530   1.237   8.537  -4.561
  151    H    ILE 531           H        ILE 531  -0.407   9.369  -2.135
  152    HA   ILE 531           HA       ILE 531   1.560   8.554  -0.083
  153    HB   ILE 531           HB       ILE 531  -1.293   7.706  -0.607
  154   1HG1  ILE 531          2HG1      ILE 531  -1.294   8.508   1.896
  155   2HG1  ILE 531          1HG1      ILE 531   0.192   9.329   1.433
  156   1HG2  ILE 531          2HG2      ILE 531   0.824   6.169   0.556
  157   2HG2  ILE 531          1HG2      ILE 531  -0.266   6.661   1.848
  158   3HG2  ILE 531          3HG2      ILE 531  -0.891   5.767   0.464
  159   1HD1  ILE 531          2HD1      ILE 531  -2.279   9.580  -0.252
  160   2HD1  ILE 531          1HD1      ILE 531  -2.048  10.604   1.166
  161   3HD1  ILE 531          3HD1      ILE 531  -0.887  10.659  -0.160
  162    H    TYR 532           H        TYR 532   3.081   7.236  -0.706
  163    HA   TYR 532           HA       TYR 532   2.572   5.323  -2.913
  164   1HB   TYR 532          2HB       TYR 532   5.041   6.239  -1.499
  165   2HB   TYR 532          1HB       TYR 532   5.052   4.821  -2.519
  166    HD1  TYR 532           HD2      TYR 532   3.849   8.361  -2.560
  167    HD2  TYR 532           HD1      TYR 532   5.487   5.045  -4.769
  168    HE1  TYR 532           HE2      TYR 532   4.144   9.826  -4.554
  169    HE2  TYR 532           HE1      TYR 532   5.792   6.522  -6.752
  170    HH   TYR 532           HH       TYR 532   4.926   8.570  -7.663
  171    H    LEU 533           H        LEU 533   4.313   3.252  -1.990
  172    HA   LEU 533           HA       LEU 533   3.650   2.480   0.705
  173   1HB   LEU 533          2HB       LEU 533   1.460   2.052   0.038
  174   2HB   LEU 533          1HB       LEU 533   1.942   1.521  -1.565
  175    HG   LEU 533           HG       LEU 533   2.386  -0.636  -0.864
  176   1HD1  LEU 533          2HD1      LEU 533   3.589   0.637   1.410
  177   2HD1  LEU 533          1HD1      LEU 533   2.491  -0.618   1.973
  178   3HD1  LEU 533          3HD1      LEU 533   3.775  -1.020   0.839
  179   1HD2  LEU 533          1HD2      LEU 533   0.017   0.281  -0.200
  180   2HD2  LEU 533          3HD2      LEU 533   0.509  -1.338   0.293
  181   3HD2  LEU 533          2HD2      LEU 533   0.590  -0.004   1.444
  182    H    VAL 534           H        VAL 534   5.384   1.341   1.283
  183    HA   VAL 534           HA       VAL 534   6.663  -0.432  -0.764
  184    HB   VAL 534           HB       VAL 534   8.101   1.414  -0.045
  185   1HG1  VAL 534          2HG1      VAL 534   7.137   0.655   2.561
  186   2HG1  VAL 534          1HG1      VAL 534   8.900   0.729   2.490
  187   3HG1  VAL 534          3HG1      VAL 534   7.940   2.141   2.047
  188   1HG2  VAL 534          3HG2      VAL 534   9.007  -1.222   1.021
  189   2HG2  VAL 534          2HG2      VAL 534   9.233  -0.605  -0.618
  190   3HG2  VAL 534          1HG2      VAL 534  10.022   0.182   0.738
  191    H    GLY 535           H        GLY 535   7.779  -2.404   0.402
  192   1HA   GLY 535          2HA       GLY 535   6.215  -3.146   2.825
  193   2HA   GLY 535          1HA       GLY 535   5.977  -4.125   1.388
  194    H    SER 536           H        SER 536   6.631  -5.700   3.145
  195    HA   SER 536           HA       SER 536   9.481  -5.863   3.751
  196   1HB   SER 536          2HB       SER 536   8.905  -7.722   5.135
  197   2HB   SER 536          1HB       SER 536   7.634  -6.521   5.347
  198    HG   SER 536           HG       SER 536   6.733  -8.560   4.974
  199    H    ILE 537           H        ILE 537   8.340  -6.246   0.906
  200    HA   ILE 537           HA       ILE 537  10.058  -8.573   0.328
  201    HB   ILE 537           HB       ILE 537   8.386  -9.790  -0.902
  202   1HG1  ILE 537          2HG1      ILE 537   6.579  -7.436  -0.282
  203   2HG1  ILE 537          1HG1      ILE 537   7.179  -7.912  -1.873
  204   1HG2  ILE 537          2HG2      ILE 537   8.402  -9.869   1.690
  205   2HG2  ILE 537          1HG2      ILE 537   6.914  -8.926   1.589
  206   3HG2  ILE 537          3HG2      ILE 537   6.997 -10.530   0.858
  207   1HD1  ILE 537          1HD1      ILE 537   5.940 -10.167  -0.572
  208   2HD1  ILE 537          3HD1      ILE 537   4.821  -8.807  -0.606
  209   3HD1  ILE 537          2HD1      ILE 537   5.518  -9.414  -2.108
  210    H    SER 538           H        SER 538  10.258  -8.782  -2.167
  211    HA   SER 538           HA       SER 538  11.011  -6.238  -3.203
  212   1HB   SER 538          2HB       SER 538  10.411  -8.780  -4.723
  213   2HB   SER 538          1HB       SER 538  11.219  -7.357  -5.379
  214    HG   SER 538           HG       SER 538  12.792  -8.776  -4.685
  215    H    GLN 539           H        GLN 539   8.004  -8.102  -3.563
  216    HA   GLN 539           HA       GLN 539   6.768  -6.829  -5.666
  217   1HB   GLN 539          2HB       GLN 539   5.790  -7.859  -3.083
  218   2HB   GLN 539          1HB       GLN 539   4.678  -6.886  -4.026
  219   1HG   GLN 539          2HG       GLN 539   6.148  -9.357  -4.988
  220   2HG   GLN 539          1HG       GLN 539   4.428  -9.261  -4.608
  221   1HE2  GLN 539          2HE2      GLN 539   4.296  -6.709  -7.479
  222   2HE2  GLN 539          1HE2      GLN 539   4.291  -6.462  -5.801
  223    H    LEU 540           H        LEU 540   7.622  -5.447  -2.601
  224    HA   LEU 540           HA       LEU 540   6.370  -2.876  -3.419
  225   1HB   LEU 540          2HB       LEU 540   7.088  -3.885  -0.619
  226   2HB   LEU 540          1HB       LEU 540   6.597  -2.229  -1.015
  227    HG   LEU 540           HG       LEU 540   4.541  -3.162  -0.420
  228   1HD1  LEU 540          2HD1      LEU 540   4.769  -3.836  -3.360
  229   2HD1  LEU 540          1HD1      LEU 540   3.259  -3.671  -2.466
  230   3HD1  LEU 540          3HD1      LEU 540   4.310  -2.272  -2.687
  231   1HD2  LEU 540          2HD2      LEU 540   5.773  -5.682  -1.450
  232   2HD2  LEU 540          1HD2      LEU 540   4.946  -5.382   0.079
  233   3HD2  LEU 540          3HD2      LEU 540   4.013  -5.574  -1.406
  234    H    GLY 541           H        GLY 541   8.731  -3.620  -4.563
  235   1HA   GLY 541          2HA       GLY 541  10.882  -2.791  -4.995
  236   2HA   GLY 541          1HA       GLY 541  10.440  -1.410  -3.990
  237    H    ASP 542           H        ASP 542  10.059  -4.382  -2.384
  238    HA   ASP 542           HA       ASP 542  11.449  -5.557  -0.882
  239   1HB   ASP 542          2HB       ASP 542  13.667  -3.600  -1.375
  240   2HB   ASP 542          1HB       ASP 542  13.783  -5.283  -0.862
  241    H    TRP 543           H        TRP 543  12.357  -2.185  -0.710
  242    HA   TRP 543           HA       TRP 543  10.837  -1.549   1.567
  243   1HB   TRP 543          2HB       TRP 543  13.571  -2.629   2.101
  244   2HB   TRP 543          1HB       TRP 543  13.053  -1.220   3.039
  245    HD1  TRP 543           HD1      TRP 543  13.146  -4.630   3.667
  246    HE1  TRP 543           HE1      TRP 543  11.069  -5.539   4.896
  247    HE3  TRP 543           HE3      TRP 543   9.923  -0.742   2.956
  248    HZ2  TRP 543           HZ2      TRP 543   8.374  -4.724   5.434
  249    HZ3  TRP 543           HZ3      TRP 543   7.614  -0.835   3.842
  250    HH2  TRP 543           HH2      TRP 543   6.852  -2.830   5.098
  251    H    GLU 544           H        GLU 544  11.234  -0.355  -0.824
  252    HA   GLU 544           HA       GLU 544  12.855   2.040  -0.029
  253   1HB   GLU 544          2HB       GLU 544  12.429   0.732  -2.694
  254   2HB   GLU 544          1HB       GLU 544  12.632   2.484  -2.615
  255   1HG   GLU 544          2HG       GLU 544  14.816   1.454  -2.938
  256   2HG   GLU 544          1HG       GLU 544  14.734   2.144  -1.316
  257    H    THR 545           H        THR 545  11.613   3.813   0.315
  258    HA   THR 545           HA       THR 545   8.760   3.540  -0.262
  259    HB   THR 545           HB       THR 545   9.138   4.591   1.828
  260    HG1  THR 545           HG1      THR 545   8.818   6.712  -0.027
  261   1HG2  THR 545          1HG2      THR 545  11.467   5.674   0.439
  262   2HG2  THR 545          3HG2      THR 545  10.647   6.885   1.424
  263   3HG2  THR 545          2HG2      THR 545  11.219   5.391   2.162
  264    H    SER 546           H        SER 546  11.583   5.157  -1.534
  265    HA   SER 546           HA       SER 546  10.100   6.942  -3.272
  266   1HB   SER 546          2HB       SER 546  12.567   6.919  -4.293
  267   2HB   SER 546          1HB       SER 546  12.180   7.850  -2.859
  268    HG   SER 546           HG       SER 546  13.651   6.648  -1.960
  269    H    ASP 547           H        ASP 547  10.941   3.706  -3.225
  270    HA   ASP 547           HA       ASP 547  10.280   3.438  -6.111
  271   1HB   ASP 547          2HB       ASP 547  12.516   2.216  -4.549
  272   2HB   ASP 547          1HB       ASP 547  11.737   1.221  -5.779
  273    H    GLY 548           H        GLY 548   9.185   3.012  -3.109
  274   1HA   GLY 548          2HA       GLY 548   8.302   0.297  -2.998
  275   2HA   GLY 548          1HA       GLY 548   7.517   1.648  -2.164
  276    H    ILE 549           H        ILE 549   5.473   2.117  -2.893
  277    HA   ILE 549           HA       ILE 549   4.946   1.799  -5.779
  278    HB   ILE 549           HB       ILE 549   3.227   0.495  -3.637
  279   1HG1  ILE 549          2HG1      ILE 549   5.428  -0.630  -4.291
  280   2HG1  ILE 549          1HG1      ILE 549   3.975  -1.596  -4.546
  281   1HG2  ILE 549          1HG2      ILE 549   2.809   1.159  -6.507
  282   2HG2  ILE 549          3HG2      ILE 549   2.313  -0.457  -6.003
  283   3HG2  ILE 549          2HG2      ILE 549   1.629   0.964  -5.212
  284   1HD1  ILE 549          2HD1      ILE 549   4.819   0.133  -6.810
  285   2HD1  ILE 549          1HD1      ILE 549   5.848  -1.255  -6.459
  286   3HD1  ILE 549          3HD1      ILE 549   4.140  -1.496  -6.828
  287    H    ALA 550           H        ALA 550   4.094   3.611  -6.481
  288    HA   ALA 550           HA       ALA 550   2.962   5.588  -4.708
  289   1HB   ALA 550          2HB       ALA 550   3.981   5.699  -7.230
  290   2HB   ALA 550          1HB       ALA 550   2.247   5.749  -7.559
  291   3HB   ALA 550          3HB       ALA 550   2.975   6.959  -6.507
  292    H    LEU 551           H        LEU 551   0.855   6.025  -4.293
  293    HA   LEU 551           HA       LEU 551  -1.071   4.031  -5.311
  294   1HB   LEU 551          2HB       LEU 551  -1.194   5.829  -2.907
  295   2HB   LEU 551          1HB       LEU 551  -2.575   4.937  -3.494
  296    HG   LEU 551           HG       LEU 551  -1.072   2.844  -3.322
  297   1HD1  LEU 551          3HD1      LEU 551   0.964   4.371  -2.953
  298   2HD1  LEU 551          2HD1      LEU 551   0.367   4.548  -1.305
  299   3HD1  LEU 551          1HD1      LEU 551   0.812   2.951  -1.921
  300   1HD2  LEU 551          3HD2      LEU 551  -2.843   4.090  -1.572
  301   2HD2  LEU 551          2HD2      LEU 551  -2.259   2.432  -1.445
  302   3HD2  LEU 551          1HD2      LEU 551  -1.444   3.723  -0.564
  303    H    SER 552           H        SER 552  -3.381   4.950  -5.509
  304    HA   SER 552           HA       SER 552  -3.125   7.635  -6.764
  305   1HB   SER 552          2HB       SER 552  -3.203   6.313  -8.577
  306   2HB   SER 552          1HB       SER 552  -4.294   5.152  -7.854
  307    HG   SER 552           HG       SER 552  -5.136   6.771  -9.480
  308    H    ALA 553           H        ALA 553  -5.505   8.495  -7.224
  309    HA   ALA 553           HA       ALA 553  -7.110   7.930  -4.767
  310   1HB   ALA 553          1HB       ALA 553  -5.789  10.335  -5.576
  311   2HB   ALA 553          3HB       ALA 553  -7.531  10.604  -5.636
  312   3HB   ALA 553          2HB       ALA 553  -6.773  10.059  -4.140
  313    H    ASP 554           H        ASP 554  -7.610   6.699  -7.257
  314    HA   ASP 554           HA       ASP 554  -9.432   8.007  -8.943
  315   1HB   ASP 554          2HB       ASP 554  -9.713   5.925  -9.863
  316   2HB   ASP 554          1HB       ASP 554  -8.250   5.620  -8.960
  317    H    LYS 555           H        LYS 555  -9.919   6.415  -5.825
  318    HA   LYS 555           HA       LYS 555 -12.805   7.192  -5.939
  319   1HB   LYS 555          2HB       LYS 555 -11.738   4.718  -5.378
  320   2HB   LYS 555          1HB       LYS 555 -11.943   5.398  -3.762
  321   1HG   LYS 555          2HG       LYS 555 -14.233   5.464  -3.930
  322   2HG   LYS 555          1HG       LYS 555 -14.202   5.767  -5.667
  323   1HD   LYS 555          2HD       LYS 555 -13.075   3.225  -5.394
  324   2HD   LYS 555          1HD       LYS 555 -14.414   3.234  -4.246
  325   1HE   LYS 555          2HE       LYS 555 -15.244   2.495  -6.410
  326   2HE   LYS 555          1HE       LYS 555 -15.904   4.093  -6.063
  327   1HZ   LYS 555          1HZ       LYS 555 -13.381   3.838  -7.555
  328   2HZ   LYS 555          3HZ       LYS 555 -14.859   3.626  -8.360
  329   3HZ   LYS 555          2HZ       LYS 555 -14.522   5.097  -7.580
  330    H    TYR 556           H        TYR 556 -10.627   9.007  -5.305
  331    HA   TYR 556           HA       TYR 556 -11.370   9.658  -2.501
  332   1HB   TYR 556          2HB       TYR 556  -9.151   8.744  -2.383
  333   2HB   TYR 556          1HB       TYR 556  -8.647   9.630  -3.811
  334    HD1  TYR 556           HD2      TYR 556 -10.702  11.660  -1.630
  335    HD2  TYR 556           HD1      TYR 556  -6.709  10.211  -2.241
  336    HE1  TYR 556           HE2      TYR 556  -9.850  13.441  -0.178
  337    HE2  TYR 556           HE1      TYR 556  -5.849  12.034  -0.791
  338    HH   TYR 556           HH       TYR 556  -6.354  13.914   0.232
  339    H    THR 557           H        THR 557 -12.442  11.589  -2.579
  340    HA   THR 557           HA       THR 557 -11.222  13.818  -4.010
  341    HB   THR 557           HB       THR 557 -12.513  12.693  -5.808
  342    HG1  THR 557           HG1      THR 557 -13.350  14.554  -6.516
  343   1HG2  THR 557          2HG2      THR 557 -14.422  12.426  -3.708
  344   2HG2  THR 557          1HG2      THR 557 -15.153  13.410  -4.976
  345   3HG2  THR 557          3HG2      THR 557 -14.525  11.805  -5.356
  346    H    SER 558           H        SER 558 -11.537  13.745  -1.345
  347    HA   SER 558           HA       SER 558 -12.270  15.268   0.305
  348   1HB   SER 558          2HB       SER 558 -14.574  16.199  -1.348
  349   2HB   SER 558          1HB       SER 558 -13.522  17.113  -0.271
  350    HG   SER 558           HG       SER 558 -13.350  17.065  -2.821
  351    H    SER 559           H        SER 559 -15.163  14.082  -1.487
  352    HA   SER 559           HA       SER 559 -16.660  13.677   0.938
  353   1HB   SER 559          2HB       SER 559 -16.999  12.792  -1.917
  354   2HB   SER 559          1HB       SER 559 -18.059  12.162  -0.660
  355    HG   SER 559           HG       SER 559 -18.696  14.246  -0.192
  356    H    ASP 560           H        ASP 560 -15.556  11.181  -1.353
  357    HA   ASP 560           HA       ASP 560 -15.090   9.404   1.009
  358   1HB   ASP 560          2HB       ASP 560 -15.886   8.740  -1.841
  359   2HB   ASP 560          1HB       ASP 560 -15.402   7.526  -0.656
  360    HA   PRO 561           HA       PRO 561 -10.994  10.081  -0.766
  361   1HB   PRO 561          2HB       PRO 561  -9.714  10.049   1.661
  362   2HB   PRO 561          1HB       PRO 561 -10.403  11.508   0.920
  363   1HG   PRO 561          2HG       PRO 561 -11.372   9.953   3.232
  364   2HG   PRO 561          1HG       PRO 561 -11.761  11.611   2.739
  365   1HD   PRO 561          2HD       PRO 561 -13.389   9.260   2.361
  366   2HD   PRO 561          1HD       PRO 561 -13.728  10.913   1.794
  367    H    LEU 562           H        LEU 562 -10.699   8.061  -1.708
  368    HA   LEU 562           HA       LEU 562  -9.611   6.020   0.144
  369   1HB   LEU 562          2HB       LEU 562 -12.070   5.845  -1.294
  370   2HB   LEU 562          1HB       LEU 562 -10.939   4.667  -1.967
  371    HG   LEU 562           HG       LEU 562 -10.652   4.645   0.872
  372   1HD1  LEU 562          2HD1      LEU 562 -13.505   4.432  -0.137
  373   2HD1  LEU 562          1HD1      LEU 562 -12.972   3.876   1.450
  374   3HD1  LEU 562          3HD1      LEU 562 -12.885   5.593   1.043
  375   1HD2  LEU 562          2HD2      LEU 562 -10.171   2.803  -0.717
  376   2HD2  LEU 562          1HD2      LEU 562 -11.282   2.283   0.555
  377   3HD2  LEU 562          3HD2      LEU 562 -11.899   2.657  -1.055
  378    H    TRP 563           H        TRP 563  -7.510   6.246  -0.501
  379    HA   TRP 563           HA       TRP 563  -6.700   6.309  -3.317
  380   1HB   TRP 563          2HB       TRP 563  -5.237   5.771  -0.769
  381   2HB   TRP 563          1HB       TRP 563  -4.464   5.677  -2.292
  382    HD1  TRP 563           HD1      TRP 563  -6.243   8.519  -0.155
  383    HE1  TRP 563           HE1      TRP 563  -4.979  10.637  -0.803
  384    HE3  TRP 563           HE3      TRP 563  -3.150   6.689  -3.722
  385    HZ2  TRP 563           HZ2      TRP 563  -2.958  11.516  -2.642
  386    HZ3  TRP 563           HZ3      TRP 563  -1.563   8.185  -4.893
  387    HH2  TRP 563           HH2      TRP 563  -1.477  10.536  -4.395
  388    H    TYR 564           H        TYR 564  -4.799   4.402  -3.532
  389    HA   TYR 564           HA       TYR 564  -4.684   2.086  -2.401
  390   1HB   TYR 564          2HB       TYR 564  -6.280   0.446  -3.183
  391   2HB   TYR 564          1HB       TYR 564  -7.059   1.680  -2.235
  392    HD1  TYR 564           HD2      TYR 564  -6.312   0.643  -5.701
  393    HD2  TYR 564           HD1      TYR 564  -8.859   2.856  -3.070
  394    HE1  TYR 564           HE2      TYR 564  -7.916   0.973  -7.531
  395    HE2  TYR 564           HE1      TYR 564 -10.454   3.196  -4.871
  396    HH   TYR 564           HH       TYR 564 -11.058   1.962  -7.080
  397    H    VAL 565           H        VAL 565  -3.844   0.448  -3.289
  398    HA   VAL 565           HA       VAL 565  -3.277   0.446  -6.207
  399    HB   VAL 565           HB       VAL 565  -1.142   0.419  -4.063
  400   1HG1  VAL 565          2HG1      VAL 565  -1.079  -1.136  -6.298
  401   2HG1  VAL 565          1HG1      VAL 565  -0.523   0.402  -6.962
  402   3HG1  VAL 565          3HG1      VAL 565   0.356  -0.354  -5.634
  403   1HG2  VAL 565          3HG2      VAL 565  -2.108   2.543  -4.812
  404   2HG2  VAL 565          2HG2      VAL 565  -0.396   2.343  -5.222
  405   3HG2  VAL 565          1HG2      VAL 565  -1.642   2.122  -6.461
  406    H    THR 566           H        THR 566  -3.518  -1.503  -6.948
  407    HA   THR 566           HA       THR 566  -3.743  -3.747  -5.043
  408    HB   THR 566           HB       THR 566  -5.419  -3.383  -6.900
  409    HG1  THR 566           HG1      THR 566  -5.665  -5.433  -6.602
  410   1HG2  THR 566          2HG2      THR 566  -3.017  -3.184  -8.368
  411   2HG2  THR 566          1HG2      THR 566  -3.850  -4.629  -8.954
  412   3HG2  THR 566          3HG2      THR 566  -4.669  -3.063  -8.989
  413    H    VAL 567           H        VAL 567  -1.310  -3.491  -4.690
  414    HA   VAL 567           HA       VAL 567   0.467  -4.340  -6.833
  415    HB   VAL 567           HB       VAL 567   0.830  -3.913  -3.871
  416   1HG1  VAL 567          2HG1      VAL 567   2.479  -5.581  -5.693
  417   2HG1  VAL 567          1HG1      VAL 567   3.375  -4.411  -4.717
  418   3HG1  VAL 567          3HG1      VAL 567   2.356  -5.622  -3.934
  419   1HG2  VAL 567          2HG2      VAL 567   1.237  -2.411  -6.286
  420   2HG2  VAL 567          1HG2      VAL 567   1.478  -1.887  -4.617
  421   3HG2  VAL 567          3HG2      VAL 567   2.795  -2.664  -5.499
  422    H    THR 568           H        THR 568   1.330  -6.404  -7.111
  423    HA   THR 568           HA       THR 568  -0.320  -8.563  -6.061
  424    HB   THR 568           HB       THR 568   1.636  -9.851  -7.371
  425    HG1  THR 568           HG1      THR 568   2.186  -8.428  -9.148
  426   1HG2  THR 568          3HG2      THR 568  -0.822  -9.752  -7.868
  427   2HG2  THR 568          2HG2      THR 568  -0.524  -8.274  -8.785
  428   3HG2  THR 568          1HG2      THR 568   0.195  -9.798  -9.309
  429    H    LEU 569           H        LEU 569   0.392 -10.281  -4.825
  430    HA   LEU 569           HA       LEU 569   3.061 -10.110  -3.540
  431   1HB   LEU 569          2HB       LEU 569   0.402 -10.189  -2.056
  432   2HB   LEU 569          1HB       LEU 569   1.967 -10.441  -1.284
  433    HG   LEU 569           HG       LEU 569   1.143  -7.944  -2.813
  434   1HD1  LEU 569          3HD1      LEU 569   0.829  -8.730  -0.021
  435   2HD1  LEU 569          2HD1      LEU 569   1.833  -7.274  -0.178
  436   3HD1  LEU 569          1HD1      LEU 569   0.202  -7.310  -0.866
  437   1HD2  LEU 569          3HD2      LEU 569   3.702  -9.009  -2.220
  438   2HD2  LEU 569          2HD2      LEU 569   3.322  -7.421  -2.878
  439   3HD2  LEU 569          1HD2      LEU 569   3.453  -7.642  -1.135
  440    HA   PRO 570           HA       PRO 570   1.958 -14.255  -5.060
  441   1HB   PRO 570          2HB       PRO 570   4.465 -14.805  -5.991
  442   2HB   PRO 570          1HB       PRO 570   3.232 -13.933  -6.919
  443   1HG   PRO 570          2HG       PRO 570   5.662 -12.873  -5.561
  444   2HG   PRO 570          1HG       PRO 570   4.768 -12.212  -6.941
  445   1HD   PRO 570          2HD       PRO 570   4.612 -11.307  -4.263
  446   2HD   PRO 570          1HD       PRO 570   3.518 -10.860  -5.585
  447    H    ALA 571           H        ALA 571   2.562 -16.332  -4.558
  448    HA   ALA 571           HA       ALA 571   3.608 -18.077  -3.370
  449   1HB   ALA 571          2HB       ALA 571   5.614 -16.409  -3.307
  450   2HB   ALA 571          1HB       ALA 571   5.073 -16.091  -1.658
  451   3HB   ALA 571          3HB       ALA 571   5.558 -17.720  -2.128
  452    H    GLY 572           H        GLY 572   1.446 -15.904  -2.385
  453   1HA   GLY 572          2HA       GLY 572  -0.052 -15.820  -0.560
  454   2HA   GLY 572          1HA       GLY 572   0.440 -17.487  -0.224
  455    H    GLU 573           H        GLU 573   0.165 -14.917   1.584
  456    HA   GLU 573           HA       GLU 573   2.270 -15.593   3.374
  457   1HB   GLU 573          2HB       GLU 573   3.245 -14.350   1.084
  458   2HB   GLU 573          1HB       GLU 573   3.224 -13.075   2.297
  459   1HG   GLU 573          2HG       GLU 573   5.207 -13.953   2.975
  460   2HG   GLU 573          1HG       GLU 573   4.217 -15.198   3.737
  461    H    SER 574           H        SER 574   2.406 -14.288   5.210
  462    HA   SER 574           HA       SER 574   0.215 -12.332   5.554
  463   1HB   SER 574          2HB       SER 574   0.420 -13.713   7.464
  464   2HB   SER 574          1HB       SER 574   2.181 -13.693   7.398
  465    HG   SER 574           HG       SER 574   1.312 -12.327   9.044
  466    H    PHE 575           H        PHE 575   1.946 -11.485   3.693
  467    HA   PHE 575           HA       PHE 575   4.303 -10.240   4.071
  468   1HB   PHE 575          2HB       PHE 575   1.916  -8.914   2.757
  469   2HB   PHE 575          1HB       PHE 575   3.616  -8.536   2.458
  470    HD1  PHE 575           HD1      PHE 575   5.067 -10.074   1.276
  471    HD2  PHE 575           HD2      PHE 575   0.907 -11.017   1.888
  472    HE1  PHE 575           HE1      PHE 575   5.223 -11.872  -0.422
  473    HE2  PHE 575           HE2      PHE 575   1.090 -12.807   0.200
  474    HZ   PHE 575           HZ       PHE 575   3.230 -13.237  -0.963
  475    H    GLU 576           H        GLU 576   4.885  -7.968   4.513
  476    HA   GLU 576           HA       GLU 576   3.120  -6.632   6.494
  477   1HB   GLU 576          2HB       GLU 576   5.513  -7.997   7.164
  478   2HB   GLU 576          1HB       GLU 576   5.850  -6.267   7.257
  479   1HG   GLU 576          2HG       GLU 576   3.952  -5.914   8.724
  480   2HG   GLU 576          1HG       GLU 576   3.461  -7.599   8.552
  481    H    TYR 577           H        TYR 577   2.755  -4.701   5.593
  482    HA   TYR 577           HA       TYR 577   5.058  -3.110   4.714
  483   1HB   TYR 577          2HB       TYR 577   3.839  -2.477   2.562
  484   2HB   TYR 577          1HB       TYR 577   4.596  -4.057   2.616
  485    HD1  TYR 577           HD2      TYR 577   1.558  -3.850   4.598
  486    HD2  TYR 577           HD1      TYR 577   3.088  -4.519   0.635
  487    HE1  TYR 577           HE2      TYR 577  -0.582  -4.902   3.932
  488    HE2  TYR 577           HE1      TYR 577   0.966  -5.530  -0.021
  489    HH   TYR 577           HH       TYR 577  -0.946  -6.509   0.836
  490    H    LYS 578           H        LYS 578   4.375  -0.811   4.194
  491    HA   LYS 578           HA       LYS 578   1.825  -0.029   5.479
  492   1HB   LYS 578          2HB       LYS 578   4.371   0.108   6.798
  493   2HB   LYS 578          1HB       LYS 578   3.792   1.747   6.499
  494   1HG   LYS 578          2HG       LYS 578   2.047  -0.411   7.707
  495   2HG   LYS 578          1HG       LYS 578   3.007   0.702   8.682
  496   1HD   LYS 578          2HD       LYS 578   1.866   2.611   7.514
  497   2HD   LYS 578          1HD       LYS 578   0.815   1.434   6.724
  498   1HE   LYS 578          2HE       LYS 578  -0.529   1.616   8.530
  499   2HE   LYS 578          1HE       LYS 578   0.702   0.707   9.406
  500   1HZ   LYS 578          2HZ       LYS 578   1.049   3.601   9.079
  501   2HZ   LYS 578          1HZ       LYS 578  -0.066   3.043  10.232
  502   3HZ   LYS 578          3HZ       LYS 578   1.563   2.586  10.340
  503    H    PHE 579           H        PHE 579   1.408   2.320   5.188
  504    HA   PHE 579           HA       PHE 579   2.081   3.114   2.475
  505   1HB   PHE 579          2HB       PHE 579   0.388   4.691   2.701
  506   2HB   PHE 579          1HB       PHE 579  -0.125   3.488   3.866
  507    HD1  PHE 579           HD2      PHE 579   1.744   6.697   3.540
  508    HD2  PHE 579           HD1      PHE 579  -0.326   4.001   6.167
  509    HE1  PHE 579           HE2      PHE 579   1.848   8.383   5.354
  510    HE2  PHE 579           HE1      PHE 579  -0.221   5.688   7.981
  511    HZ   PHE 579           HZ       PHE 579   0.866   7.880   7.575
  512    H    ILE 580           H        ILE 580   3.077   5.143   1.906
  513    HA   ILE 580           HA       ILE 580   5.051   6.124   3.939
  514    HB   ILE 580           HB       ILE 580   6.071   6.875   1.496
  515   1HG1  ILE 580          2HG1      ILE 580   4.880   4.097   1.227
  516   2HG1  ILE 580          1HG1      ILE 580   4.383   5.524   0.307
  517   1HG2  ILE 580          1HG2      ILE 580   6.655   4.840   3.469
  518   2HG2  ILE 580          3HG2      ILE 580   7.279   4.456   1.874
  519   3HG2  ILE 580          2HG2      ILE 580   7.740   5.974   2.641
  520   1HD1  ILE 580          2HD1      ILE 580   6.667   5.714  -0.620
  521   2HD1  ILE 580          1HD1      ILE 580   7.142   4.288   0.294
  522   3HD1  ILE 580          3HD1      ILE 580   5.959   4.140  -1.001
  523    H    ARG 581           H        ARG 581   5.446   8.383   3.932
  524    HA   ARG 581           HA       ARG 581   3.292  10.040   2.693
  525   1HB   ARG 581          2HB       ARG 581   5.357  10.869   4.760
  526   2HB   ARG 581          1HB       ARG 581   3.885  11.736   4.329
  527   1HG   ARG 581          2HG       ARG 581   2.498  10.135   5.381
  528   2HG   ARG 581          1HG       ARG 581   3.778   8.924   5.418
  529   1HD   ARG 581          2HD       ARG 581   4.913  10.989   6.832
  530   2HD   ARG 581          1HD       ARG 581   3.217  11.117   7.298
  531    HE   ARG 581           HE       ARG 581   4.230   8.386   7.434
  532   1HH1  ARG 581          2HH1      ARG 581   4.445  11.436   8.985
  533   2HH1  ARG 581          1HH1      ARG 581   4.338  10.788  10.588
  534   1HH2  ARG 581          1HH2      ARG 581   3.865   7.522   9.520
  535   2HH2  ARG 581          2HH2      ARG 581   4.010   8.572  10.891
  536    H    ILE 582           H        ILE 582   4.138  10.294   0.541
  537    HA   ILE 582           HA       ILE 582   6.941  11.269   0.414
  538    HB   ILE 582           HB       ILE 582   5.160  10.148  -1.751
  539   1HG1  ILE 582          2HG1      ILE 582   6.846   8.181  -1.414
  540   2HG1  ILE 582          1HG1      ILE 582   7.132   8.907   0.173
  541   1HG2  ILE 582          3HG2      ILE 582   7.237  11.689  -2.285
  542   2HG2  ILE 582          2HG2      ILE 582   8.150  10.232  -1.889
  543   3HG2  ILE 582          1HG2      ILE 582   6.955  10.200  -3.190
  544   1HD1  ILE 582          2HD1      ILE 582   4.319   8.515  -0.756
  545   2HD1  ILE 582          1HD1      ILE 582   5.216   7.145  -0.116
  546   3HD1  ILE 582          3HD1      ILE 582   4.964   8.564   0.873
  547    H    GLU 583           H        GLU 583   7.332  13.299   0.026
  548    HA   GLU 583           HA       GLU 583   5.294  15.259  -0.540
  549   1HB   GLU 583          2HB       GLU 583   8.180  15.167   0.023
  550   2HB   GLU 583          1HB       GLU 583   7.726  16.468  -1.070
  551   1HG   GLU 583          2HG       GLU 583   5.809  16.890   0.683
  552   2HG   GLU 583          1HG       GLU 583   6.856  15.977   1.768
  553    H    SER 584           H        SER 584   6.198  16.939  -2.446
  554    HA   SER 584           HA       SER 584   5.503  15.723  -4.898
  555   1HB   SER 584          2HB       SER 584   7.419  18.015  -4.923
  556   2HB   SER 584          1HB       SER 584   5.973  17.766  -5.897
  557    HG   SER 584           HG       SER 584   6.181  19.238  -3.770
  558    H    ASP 585           H        ASP 585   8.374  15.694  -3.115
  559    HA   ASP 585           HA       ASP 585   9.887  14.480  -5.378
  560   1HB   ASP 585          2HB       ASP 585  11.853  14.871  -3.705
  561   2HB   ASP 585          1HB       ASP 585  11.199  16.261  -4.571
  562    H    ASP 586           H        ASP 586  11.730  13.036  -3.932
  563    HA   ASP 586           HA       ASP 586  10.058  10.833  -2.945
  564   1HB   ASP 586          2HB       ASP 586  12.375   9.692  -2.792
  565   2HB   ASP 586          1HB       ASP 586  11.759  10.079  -4.399
  566    H    SER 587           H        SER 587  10.741  13.448  -1.346
  567    HA   SER 587           HA       SER 587  12.223  12.333   0.939
  568   1HB   SER 587          2HB       SER 587  10.562  14.867   0.695
  569   2HB   SER 587          1HB       SER 587  11.563  14.442   2.081
  570    HG   SER 587           HG       SER 587  12.603  14.540  -0.545
  571    H    VAL 588           H        VAL 588  11.206  11.244   2.691
  572    HA   VAL 588           HA       VAL 588   8.290  11.578   2.920
  573    HB   VAL 588           HB       VAL 588   7.627   9.472   2.227
  574   1HG1  VAL 588          2HG1      VAL 588  10.158  10.006   0.706
  575   2HG1  VAL 588          1HG1      VAL 588   8.983   8.755   0.280
  576   3HG1  VAL 588          3HG1      VAL 588   8.517  10.456   0.250
  577   1HG2  VAL 588          2HG2      VAL 588   9.234   8.299   3.793
  578   2HG2  VAL 588          1HG2      VAL 588   8.930   7.491   2.257
  579   3HG2  VAL 588          3HG2      VAL 588  10.425   8.393   2.501
  580    H    GLU 589           H        GLU 589   7.406   9.887   4.409
  581    HA   GLU 589           HA       GLU 589   9.007   8.760   6.489
  582   1HB   GLU 589          2HB       GLU 589   7.297  11.156   7.249
  583   2HB   GLU 589          1HB       GLU 589   8.123  10.096   8.387
  584   1HG   GLU 589          2HG       GLU 589  10.286  10.712   7.173
  585   2HG   GLU 589          1HG       GLU 589   9.362  11.992   6.387
  586    H    TRP 590           H        TRP 590   7.968   7.038   7.121
  587    HA   TRP 590           HA       TRP 590   5.130   6.901   6.343
  588   1HB   TRP 590          2HB       TRP 590   6.480   4.431   6.782
  589   2HB   TRP 590          1HB       TRP 590   5.596   5.050   5.438
  590    HD1  TRP 590           HD1      TRP 590   8.023   7.425   4.853
  591    HE1  TRP 590           HE1      TRP 590  10.053   6.394   3.599
  592    HE3  TRP 590           HE3      TRP 590   7.090   2.652   5.831
  593    HZ2  TRP 590           HZ2      TRP 590  11.134   3.730   3.096
  594    HZ3  TRP 590           HZ3      TRP 590   8.573   0.803   4.961
  595    HH2  TRP 590           HH2      TRP 590  10.594   1.350   3.607
  596    H    GLU 591           H        GLU 591   4.662   4.477   7.255
  597    HA   GLU 591           HA       GLU 591   3.354   4.095   9.451
  598   1HB   GLU 591          2HB       GLU 591   4.760   2.020   9.977
  599   2HB   GLU 591          1HB       GLU 591   4.196   2.101   8.335
  600   1HG   GLU 591          2HG       GLU 591   6.275   2.444   7.485
  601   2HG   GLU 591          1HG       GLU 591   6.777   3.434   8.857
  602    H    SER 592           H        SER 592   3.546   4.025  11.692
  603    HA   SER 592           HA       SER 592   5.836   5.366  12.925
  604   1HB   SER 592          2HB       SER 592   3.545   5.386  13.989
  605   2HB   SER 592          1HB       SER 592   3.662   3.641  14.186
  606    HG   SER 592           HG       SER 592   4.440   5.354  15.898
  607    H    ASP 593           H        ASP 593   5.551   2.802  14.887
  608    HA   ASP 593           HA       ASP 593   7.660   1.387  13.383
  609   1HB   ASP 593          2HB       ASP 593   6.773   1.388  16.227
  610   2HB   ASP 593          1HB       ASP 593   7.522  -0.076  15.590
  611    HA   PRO 594           HA       PRO 594   4.535  -2.110  14.039
  612   1HB   PRO 594          2HB       PRO 594   1.932  -1.406  14.512
  613   2HB   PRO 594          1HB       PRO 594   3.101  -1.805  15.779
  614   1HG   PRO 594          2HG       PRO 594   2.044   0.865  14.979
  615   2HG   PRO 594          1HG       PRO 594   2.686   0.337  16.544
  616   1HD   PRO 594          2HD       PRO 594   4.063   1.881  14.629
  617   2HD   PRO 594          1HD       PRO 594   4.806   1.060  16.021
  618    H    ASN 595           H        ASN 595   4.971  -2.133  11.875
  619    HA   ASN 595           HA       ASN 595   3.523  -0.640   9.870
  620   1HB   ASN 595          2HB       ASN 595   4.807  -3.339   9.401
  621   2HB   ASN 595          1HB       ASN 595   4.604  -2.018   8.252
  622   1HD2  ASN 595          2HD2      ASN 595   8.114  -1.725   9.241
  623   2HD2  ASN 595          1HD2      ASN 595   7.139  -2.697   8.245
  624    H    ARG 596           H        ARG 596   2.419  -2.211   8.041
  625    HA   ARG 596           HA       ARG 596   0.217  -3.591   9.511
  626   1HB   ARG 596          2HB       ARG 596   0.290  -2.476   6.689
  627   2HB   ARG 596          1HB       ARG 596  -1.109  -3.227   7.458
  628   1HG   ARG 596          2HG       ARG 596   0.049  -1.129   9.121
  629   2HG   ARG 596          1HG       ARG 596  -0.453  -0.519   7.543
  630   1HD   ARG 596          2HD       ARG 596  -2.622  -0.643   8.131
  631   2HD   ARG 596          1HD       ARG 596  -2.444  -2.342   8.570
  632    HE   ARG 596           HE       ARG 596  -1.343  -0.644  10.626
  633   1HH1  ARG 596          2HH1      ARG 596  -3.488  -3.043  10.315
  634   2HH1  ARG 596          1HH1      ARG 596  -4.747  -2.363  11.291
  635   1HH2  ARG 596          1HH2      ARG 596  -3.304   0.786  11.427
  636   2HH2  ARG 596          2HH2      ARG 596  -4.643  -0.195  11.920
  637    H    GLU 597           H        GLU 597  -0.823  -5.252   7.647
  638    HA   GLU 597           HA       GLU 597   1.287  -6.760   6.290
  639   1HB   GLU 597          2HB       GLU 597   0.996  -8.819   7.580
  640   2HB   GLU 597          1HB       GLU 597   1.512  -7.514   8.650
  641   1HG   GLU 597          2HG       GLU 597  -1.365  -7.518   8.445
  642   2HG   GLU 597          1HG       GLU 597  -0.800  -9.125   8.904
  643    H    TYR 598           H        TYR 598   0.291  -8.871   5.383
  644    HA   TYR 598           HA       TYR 598  -2.609  -8.810   5.018
  645   1HB   TYR 598          2HB       TYR 598  -1.898  -7.216   3.294
  646   2HB   TYR 598          1HB       TYR 598  -0.782  -8.418   2.676
  647    HD1  TYR 598           HD1      TYR 598  -4.421  -7.862   3.370
  648    HD2  TYR 598           HD2      TYR 598  -1.454 -10.109   1.203
  649    HE1  TYR 598           HE1      TYR 598  -6.200  -9.008   2.114
  650    HE2  TYR 598           HE2      TYR 598  -3.260 -11.248  -0.063
  651    HH   TYR 598           HH       TYR 598  -6.689 -10.449   0.505
  652    H    THR 599           H        THR 599  -3.396 -10.818   4.230
  653    HA   THR 599           HA       THR 599  -1.287 -12.910   4.008
  654    HB   THR 599           HB       THR 599  -3.462 -14.385   4.479
  655    HG1  THR 599           HG1      THR 599  -4.920 -12.756   4.684
  656   1HG2  THR 599          1HG2      THR 599  -1.180 -13.735   5.776
  657   2HG2  THR 599          3HG2      THR 599  -2.372 -13.074   6.898
  658   3HG2  THR 599          2HG2      THR 599  -2.422 -14.784   6.466
  659    H    VAL 600           H        VAL 600  -0.945 -13.463   1.955
  660    HA   VAL 600           HA       VAL 600  -3.016 -13.094  -0.076
  661    HB   VAL 600           HB       VAL 600  -0.143 -13.995  -0.157
  662   1HG1  VAL 600          2HG1      VAL 600  -1.722 -15.287  -1.798
  663   2HG1  VAL 600          1HG1      VAL 600  -1.819 -13.740  -2.641
  664   3HG1  VAL 600          3HG1      VAL 600  -0.262 -14.536  -2.431
  665   1HG2  VAL 600          3HG2      VAL 600  -1.142 -11.527  -0.148
  666   2HG2  VAL 600          2HG2      VAL 600   0.246 -11.945  -1.156
  667   3HG2  VAL 600          1HG2      VAL 600  -1.378 -11.876  -1.868
  668    HA   PRO 601           HA       PRO 601  -4.316 -17.329   0.655
  669   1HB   PRO 601          2HB       PRO 601  -6.532 -17.160  -0.963
  670   2HB   PRO 601          1HB       PRO 601  -6.491 -16.555   0.702
  671   1HG   PRO 601          2HG       PRO 601  -6.399 -15.021  -1.859
  672   2HG   PRO 601          1HG       PRO 601  -7.013 -14.522  -0.274
  673   1HD   PRO 601          2HD       PRO 601  -4.521 -13.777  -1.368
  674   2HD   PRO 601          1HD       PRO 601  -4.991 -13.627   0.339
  675    H    GLN 602           H        GLN 602  -3.768 -19.161  -0.536
  676    HA   GLN 602           HA       GLN 602  -2.622 -18.780  -3.199
  677   1HB   GLN 602          2HB       GLN 602  -3.132 -21.439  -1.860
  678   2HB   GLN 602          1HB       GLN 602  -1.872 -21.022  -3.022
  679   1HG   GLN 602          2HG       GLN 602  -1.558 -19.228  -0.863
  680   2HG   GLN 602          1HG       GLN 602  -1.810 -20.819  -0.143
  681   1HE2  GLN 602          1HE2      GLN 602   0.707 -19.924   0.251
  682   2HE2  GLN 602          2HE2      GLN 602   1.816 -20.645  -0.813
  683    H    ALA 603           H        ALA 603  -4.556 -18.103  -4.355
  684    HA   ALA 603           HA       ALA 603  -6.496 -20.330  -4.829
  685   1HB   ALA 603          2HB       ALA 603  -7.329 -18.083  -3.879
  686   2HB   ALA 603          1HB       ALA 603  -6.984 -17.420  -5.477
  687   3HB   ALA 603          3HB       ALA 603  -8.170 -18.713  -5.295
  688    H    CYS 604           H        CYS 604  -5.756 -21.377  -6.643
  689    HA   CYS 604           HA       CYS 604  -4.293 -20.067  -8.755
  690   1HB   CYS 604          2HB       CYS 604  -5.292 -22.759  -8.171
  691   2HB   CYS 604          1HB       CYS 604  -5.381 -22.357  -9.886
  692    H    GLY 605           H        GLY 605  -5.113 -18.806 -10.348
  693   1HA   GLY 605          2HA       GLY 605  -6.753 -18.637 -12.219
  694   2HA   GLY 605          1HA       GLY 605  -7.990 -19.172 -11.081
  695    H    THR 606           H        THR 606  -8.690 -17.685  -9.427
  696    HA   THR 606           HA       THR 606  -8.576 -14.893 -10.293
  697    HB   THR 606           HB       THR 606 -10.647 -15.952  -9.350
  698    HG1  THR 606           HG1      THR 606  -9.875 -13.930  -7.576
  699   1HG2  THR 606          2HG2      THR 606  -9.020 -17.036  -7.489
  700   2HG2  THR 606          1HG2      THR 606  -9.590 -15.628  -6.594
  701   3HG2  THR 606          3HG2      THR 606 -10.748 -16.799  -7.226
  702    H    SER 607           H        SER 607  -8.018 -13.154  -8.667
  703    HA   SER 607           HA       SER 607  -6.190 -13.928  -6.502
  704   1HB   SER 607          2HB       SER 607  -4.762 -12.007  -8.093
  705   2HB   SER 607          1HB       SER 607  -4.249 -13.615  -7.592
  706    HG   SER 607           HG       SER 607  -5.270 -14.463  -9.396
  707    H    THR 608           H        THR 608  -7.906 -12.755  -5.354
  708    HA   THR 608           HA       THR 608  -7.682  -9.791  -5.702
  709    HB   THR 608           HB       THR 608  -9.987  -9.967  -4.379
  710    HG1  THR 608           HG1      THR 608  -9.980 -12.191  -4.180
  711   1HG2  THR 608          3HG2      THR 608  -9.573  -9.007  -6.661
  712   2HG2  THR 608          2HG2      THR 608  -9.806 -10.623  -7.329
  713   3HG2  THR 608          1HG2      THR 608 -11.136  -9.810  -6.504
  714    H    ALA 609           H        ALA 609  -7.293  -8.573  -3.841
  715    HA   ALA 609           HA       ALA 609  -7.275  -9.939  -1.220
  716   1HB   ALA 609          1HB       ALA 609  -4.837  -9.027  -2.690
  717   2HB   ALA 609          3HB       ALA 609  -4.885  -8.812  -0.944
  718   3HB   ALA 609          2HB       ALA 609  -5.048 -10.421  -1.637
  719    H    THR 610           H        THR 610  -6.622  -8.256   0.511
  720    HA   THR 610           HA       THR 610  -7.443  -5.510  -0.286
  721    HB   THR 610           HB       THR 610  -8.462  -6.850   2.208
  722    HG1  THR 610           HG1      THR 610  -9.258  -8.044   0.496
  723   1HG2  THR 610          2HG2      THR 610  -8.773  -4.254   0.846
  724   2HG2  THR 610          1HG2      THR 610 -10.300  -4.985   1.342
  725   3HG2  THR 610          3HG2      THR 610  -9.041  -4.677   2.537
  726    H    VAL 611           H        VAL 611  -6.896  -3.902   1.265
  727    HA   VAL 611           HA       VAL 611  -5.414  -4.389   3.663
  728    HB   VAL 611           HB       VAL 611  -3.870  -3.994   1.135
  729   1HG1  VAL 611          1HG1      VAL 611  -3.499  -2.369   3.601
  730   2HG1  VAL 611          3HG1      VAL 611  -2.044  -3.113   2.939
  731   3HG1  VAL 611          2HG1      VAL 611  -3.007  -2.022   1.943
  732   1HG2  VAL 611          2HG2      VAL 611  -3.867  -5.619   3.586
  733   2HG2  VAL 611          1HG2      VAL 611  -3.238  -6.007   1.986
  734   3HG2  VAL 611          3HG2      VAL 611  -2.263  -5.062   3.109
  735    H    THR 612           H        THR 612  -6.785  -2.874   4.547
  736    HA   THR 612           HA       THR 612  -7.281  -0.312   3.252
  737    HB   THR 612           HB       THR 612  -7.947  -0.587   6.112
  738    HG1  THR 612           HG1      THR 612  -9.535  -2.144   5.673
  739   1HG2  THR 612          3HG2      THR 612  -8.942   0.634   3.681
  740   2HG2  THR 612          2HG2      THR 612 -10.222  -0.264   4.498
  741   3HG2  THR 612          1HG2      THR 612  -9.347   1.004   5.357
  742    H    ASP 613           H        ASP 613  -5.293   0.706   3.071
  743    HA   ASP 613           HA       ASP 613  -3.652   1.230   5.448
  744   1HB   ASP 613          2HB       ASP 613  -3.576   2.205   2.583
  745   2HB   ASP 613          1HB       ASP 613  -2.463   2.791   3.821
  746    H    THR 614           H        THR 614  -3.833   3.115   6.688
  747    HA   THR 614           HA       THR 614  -5.991   4.993   5.812
  748    HB   THR 614           HB       THR 614  -4.969   4.369   8.597
  749    HG1  THR 614           HG1      THR 614  -6.765   3.263   8.765
  750   1HG2  THR 614          1HG2      THR 614  -6.070   6.770   7.528
  751   2HG2  THR 614          3HG2      THR 614  -7.302   6.023   8.549
  752   3HG2  THR 614          2HG2      THR 614  -5.713   6.395   9.218
  753    H    TRP 615           H        TRP 615  -5.450   7.174   5.557
  754    HA   TRP 615           HA       TRP 615  -2.615   7.794   6.264
  755   1HB   TRP 615          2HB       TRP 615  -2.711   7.815   3.922
  756   2HB   TRP 615          1HB       TRP 615  -4.249   8.648   3.903
  757    HD1  TRP 615           HD1      TRP 615  -4.194  11.274   4.743
  758    HE1  TRP 615           HE1      TRP 615  -2.293  13.007   4.451
  759    HE3  TRP 615           HE3      TRP 615  -0.359   8.124   3.749
  760    HZ2  TRP 615           HZ2      TRP 615   0.523  13.021   3.862
  761    HZ3  TRP 615           HZ3      TRP 615   1.930   8.983   3.328
  762    HH2  TRP 615           HH2      TRP 615   2.369  11.440   3.375
  763    H    ARG 616           H        ARG 616  -5.917   8.748   6.613
  764    HA   ARG 616           HA       ARG 616  -5.461  11.524   7.225
  765   1HB   ARG 616          2HB       ARG 616  -7.701  10.410   6.673
  766   2HB   ARG 616          1HB       ARG 616  -7.707   9.826   8.337
  767   1HG   ARG 616          2HG       ARG 616  -7.821  12.002   9.232
  768   2HG   ARG 616          1HG       ARG 616  -7.269  12.745   7.731
  769   1HD   ARG 616          2HD       ARG 616  -9.352  12.733   6.806
  770   2HD   ARG 616          1HD       ARG 616  -9.759  11.165   7.502
  771    HE   ARG 616           HE       ARG 616 -10.170  13.789   8.790
  772   1HH1  ARG 616          1HH2      ARG 616  -9.871  13.142  11.218
  773   2HH1  ARG 616          2HH2      ARG 616 -10.922  11.845  11.680
  774   1HH2  ARG 616          1HH1      ARG 616 -11.627  10.903   8.418
  775   2HH2  ARG 616          2HH1      ARG 616 -11.916  10.578  10.094
   
  No H/Q in entry =         775
  Start of MODEL    4
    1   1H    CYS 509          2H        CYS 509  -1.636 -13.541 -15.443
    2   2H    CYS 509          1H        CYS 509  -3.215 -13.523 -14.817
    3   3H    CYS 509          3H        CYS 509  -2.636 -12.190 -15.691
    4    HA   CYS 509           HA       CYS 509  -2.054 -11.272 -13.773
    5   1HB   CYS 509          2HB       CYS 509  -2.274 -12.477 -11.655
    6   2HB   CYS 509          1HB       CYS 509  -3.658 -12.844 -12.683
    7    H    THR 510           H        THR 510  -0.297 -11.764 -11.837
    8    HA   THR 510           HA       THR 510   2.206 -12.229 -13.282
    9    HB   THR 510           HB       THR 510   2.094 -12.001 -10.296
   10    HG1  THR 510           HG1      THR 510   0.615 -10.470 -10.840
   11   1HG2  THR 510          1HG2      THR 510   4.148 -12.042 -11.997
   12   2HG2  THR 510          3HG2      THR 510   3.774 -10.323 -12.111
   13   3HG2  THR 510          2HG2      THR 510   4.176 -11.035 -10.549
   14    H    THR 511           H        THR 511   3.462 -13.431 -10.806
   15    HA   THR 511           HA       THR 511   3.523 -16.132 -11.503
   16    HB   THR 511           HB       THR 511   5.022 -15.156  -9.794
   17    HG1  THR 511           HG1      THR 511   5.020 -17.259  -9.480
   18   1HG2  THR 511          3HG2      THR 511   3.083 -13.802  -8.757
   19   2HG2  THR 511          2HG2      THR 511   2.724 -15.267  -7.844
   20   3HG2  THR 511          1HG2      THR 511   4.286 -14.470  -7.652
   21    HA   PRO 512           HA       PRO 512  -0.508 -17.586 -10.584
   22   1HB   PRO 512          2HB       PRO 512   0.073 -20.227 -10.021
   23   2HB   PRO 512          1HB       PRO 512  -0.003 -19.557 -11.660
   24   1HG   PRO 512          2HG       PRO 512   2.404 -20.235 -10.014
   25   2HG   PRO 512          1HG       PRO 512   2.199 -20.280 -11.775
   26   1HD   PRO 512          2HD       PRO 512   3.531 -18.253 -10.400
   27   2HD   PRO 512          1HD       PRO 512   2.840 -18.076 -12.025
   28    H    THR 513           H        THR 513   2.121 -18.168  -8.338
   29    HA   THR 513           HA       THR 513   0.236 -18.531  -6.088
   30    HB   THR 513           HB       THR 513   2.196 -19.029  -4.762
   31    HG1  THR 513           HG1      THR 513   3.875 -18.506  -6.940
   32   1HG2  THR 513          3HG2      THR 513   2.030 -20.230  -7.496
   33   2HG2  THR 513          2HG2      THR 513   3.389 -20.674  -6.464
   34   3HG2  THR 513          1HG2      THR 513   1.738 -20.976  -5.925
   35    H    ALA 514           H        ALA 514  -0.372 -16.117  -6.931
   36    HA   ALA 514           HA       ALA 514   0.784 -14.333  -4.909
   37   1HB   ALA 514          2HB       ALA 514   1.325 -14.025  -7.840
   38   2HB   ALA 514          1HB       ALA 514   1.137 -12.578  -6.849
   39   3HB   ALA 514          3HB       ALA 514   2.404 -13.747  -6.473
   40    H    VAL 515           H        VAL 515  -0.769 -12.899  -4.207
   41    HA   VAL 515           HA       VAL 515  -3.194 -12.662  -5.904
   42    HB   VAL 515           HB       VAL 515  -2.886 -12.559  -2.920
   43   1HG1  VAL 515          1HG1      VAL 515  -4.313 -10.669  -3.676
   44   2HG1  VAL 515          3HG1      VAL 515  -5.318 -11.808  -4.570
   45   3HG1  VAL 515          2HG1      VAL 515  -5.245 -11.891  -2.810
   46   1HG2  VAL 515          2HG2      VAL 515  -3.283 -14.717  -4.339
   47   2HG2  VAL 515          1HG2      VAL 515  -4.306 -14.435  -2.931
   48   3HG2  VAL 515          3HG2      VAL 515  -4.917 -14.081  -4.549
   49    H    ALA 516           H        ALA 516  -3.968 -10.589  -6.414
   50    HA   ALA 516           HA       ALA 516  -2.062  -8.395  -6.059
   51   1HB   ALA 516          1HB       ALA 516  -3.756  -8.900  -8.056
   52   2HB   ALA 516          3HB       ALA 516  -4.841  -7.924  -7.063
   53   3HB   ALA 516          2HB       ALA 516  -3.315  -7.247  -7.629
   54    H    VAL 517           H        VAL 517  -2.105  -6.999  -4.379
   55    HA   VAL 517           HA       VAL 517  -4.565  -6.990  -2.662
   56    HB   VAL 517           HB       VAL 517  -1.782  -6.303  -1.727
   57   1HG1  VAL 517          2HG1      VAL 517  -4.393  -6.428  -0.536
   58   2HG1  VAL 517          1HG1      VAL 517  -3.366  -7.672   0.195
   59   3HG1  VAL 517          3HG1      VAL 517  -2.858  -5.978   0.211
   60   1HG2  VAL 517          2HG2      VAL 517  -2.722  -8.842  -2.668
   61   2HG2  VAL 517          1HG2      VAL 517  -1.162  -8.452  -1.942
   62   3HG2  VAL 517          3HG2      VAL 517  -2.517  -8.927  -0.918
   63    H    THR 518           H        THR 518  -5.692  -5.122  -2.865
   64    HA   THR 518           HA       THR 518  -4.291  -2.638  -3.632
   65    HB   THR 518           HB       THR 518  -6.885  -1.903  -3.053
   66    HG1  THR 518           HG1      THR 518  -8.113  -3.577  -4.065
   67   1HG2  THR 518          1HG2      THR 518  -5.199  -1.892  -5.201
   68   2HG2  THR 518          3HG2      THR 518  -6.486  -2.956  -5.772
   69   3HG2  THR 518          2HG2      THR 518  -6.869  -1.313  -5.245
   70    H    PHE 519           H        PHE 519  -3.660  -1.124  -2.265
   71    HA   PHE 519           HA       PHE 519  -4.297  -1.481   0.638
   72   1HB   PHE 519          2HB       PHE 519  -2.391   0.518  -0.583
   73   2HB   PHE 519          1HB       PHE 519  -2.351  -0.193   1.026
   74    HD1  PHE 519           HD1      PHE 519  -1.832  -2.601   1.323
   75    HD2  PHE 519           HD2      PHE 519  -1.428  -0.628  -2.482
   76    HE1  PHE 519           HE1      PHE 519  -0.459  -4.492   0.499
   77    HE2  PHE 519           HE2      PHE 519  -0.044  -2.510  -3.286
   78    HZ   PHE 519           HZ       PHE 519   0.444  -4.447  -1.807
   79    H    ASP 520           H        ASP 520  -6.099  -0.263   1.340
   80    HA   ASP 520           HA       ASP 520  -6.672   2.176  -0.235
   81   1HB   ASP 520          2HB       ASP 520  -8.871   1.956   1.289
   82   2HB   ASP 520          1HB       ASP 520  -8.689   1.155  -0.279
   83    H    LEU 521           H        LEU 521  -6.045   4.054   0.470
   84    HA   LEU 521           HA       LEU 521  -5.600   4.649   3.312
   85   1HB   LEU 521          2HB       LEU 521  -4.684   5.778   0.868
   86   2HB   LEU 521          1HB       LEU 521  -5.434   7.031   1.828
   87    HG   LEU 521           HG       LEU 521  -3.880   6.899   3.428
   88   1HD1  LEU 521          1HD1      LEU 521  -3.693   4.036   2.885
   89   2HD1  LEU 521          3HD1      LEU 521  -2.289   4.859   3.588
   90   3HD1  LEU 521          2HD1      LEU 521  -3.854   4.937   4.404
   91   1HD2  LEU 521          2HD2      LEU 521  -2.809   7.516   1.308
   92   2HD2  LEU 521          1HD2      LEU 521  -1.670   6.763   2.425
   93   3HD2  LEU 521          3HD2      LEU 521  -2.326   5.831   1.079
   94    H    THR 522           H        THR 522  -7.190   5.329   4.580
   95    HA   THR 522           HA       THR 522  -9.412   6.833   3.329
   96    HB   THR 522           HB       THR 522  -9.603   7.361   6.025
   97    HG1  THR 522           HG1      THR 522  -7.959   5.987   6.581
   98   1HG2  THR 522          2HG2      THR 522 -11.257   6.502   4.273
   99   2HG2  THR 522          1HG2      THR 522 -10.733   4.878   4.741
  100   3HG2  THR 522          3HG2      THR 522 -11.490   5.938   5.933
  101    H    ALA 523           H        ALA 523  -8.333   8.493   2.356
  102    HA   ALA 523           HA       ALA 523  -7.076  10.502   4.144
  103   1HB   ALA 523          1HB       ALA 523  -5.557   8.698   2.696
  104   2HB   ALA 523          3HB       ALA 523  -5.663  10.075   1.594
  105   3HB   ALA 523          2HB       ALA 523  -5.009  10.299   3.211
  106    H    THR 524           H        THR 524  -8.575  12.132   3.715
  107    HA   THR 524           HA       THR 524  -9.346  12.688   0.909
  108    HB   THR 524           HB       THR 524 -11.034  12.849   2.751
  109    HG1  THR 524           HG1      THR 524 -10.956  14.255   0.785
  110   1HG2  THR 524          3HG2      THR 524  -8.848  14.237   3.915
  111   2HG2  THR 524          2HG2      THR 524 -10.208  15.362   3.805
  112   3HG2  THR 524          1HG2      THR 524 -10.397  13.830   4.662
  113    H    THR 525           H        THR 525  -6.649  12.944   1.494
  114    HA   THR 525           HA       THR 525  -6.018  15.782   1.952
  115    HB   THR 525           HB       THR 525  -4.455  13.233   1.641
  116    HG1  THR 525           HG1      THR 525  -4.899  13.628   3.699
  117   1HG2  THR 525          3HG2      THR 525  -3.333  16.051   1.518
  118   2HG2  THR 525          2HG2      THR 525  -2.362  14.601   1.779
  119   3HG2  THR 525          1HG2      THR 525  -3.226  14.822   0.258
  120    H    THR 526           H        THR 526  -5.325  17.190   0.349
  121    HA   THR 526           HA       THR 526  -4.902  16.138  -2.401
  122    HB   THR 526           HB       THR 526  -7.321  16.806  -2.129
  123    HG1  THR 526           HG1      THR 526  -5.972  17.065  -4.106
  124   1HG2  THR 526          3HG2      THR 526  -6.050  19.015  -0.844
  125   2HG2  THR 526          2HG2      THR 526  -6.938  19.631  -2.242
  126   3HG2  THR 526          1HG2      THR 526  -7.780  18.696  -1.005
  127    H    TYR 527           H        TYR 527  -3.205  17.375  -0.274
  128    HA   TYR 527           HA       TYR 527  -2.617  20.075  -1.237
  129   1HB   TYR 527          2HB       TYR 527  -2.303  18.987   1.176
  130   2HB   TYR 527          1HB       TYR 527  -0.716  18.601   0.511
  131    HD1  TYR 527           HD1      TYR 527  -0.377  20.945  -1.338
  132    HD2  TYR 527           HD2      TYR 527  -1.760  20.717   2.721
  133    HE1  TYR 527           HE1      TYR 527   0.361  23.282  -0.956
  134    HE2  TYR 527           HE2      TYR 527  -1.023  23.055   3.105
  135    HH   TYR 527           HH       TYR 527   0.209  25.048   0.456
  136    H    GLY 528           H        GLY 528  -2.354  18.303  -3.341
  137   1HA   GLY 528          2HA       GLY 528  -0.859  17.760  -5.064
  138   2HA   GLY 528          1HA       GLY 528   0.222  18.948  -4.339
  139    H    GLU 529           H        GLU 529  -0.681  16.518  -2.136
  140    HA   GLU 529           HA       GLU 529   2.035  15.340  -2.377
  141   1HB   GLU 529          2HB       GLU 529   0.117  14.524  -0.228
  142   2HB   GLU 529          1HB       GLU 529   1.865  14.747  -0.144
  143   1HG   GLU 529          2HG       GLU 529   1.070  17.282  -0.746
  144   2HG   GLU 529          1HG       GLU 529  -0.306  16.728   0.209
  145    H    ASN 530           H        ASN 530   2.046  12.839  -1.848
  146    HA   ASN 530           HA       ASN 530  -0.307  11.437  -3.034
  147   1HB   ASN 530          2HB       ASN 530   1.765  12.060  -4.707
  148   2HB   ASN 530          1HB       ASN 530   2.353  10.561  -4.011
  149   1HD2  ASN 530          2HD2      ASN 530  -0.579  10.405  -6.768
  150   2HD2  ASN 530          1HD2      ASN 530   0.197  11.860  -6.364
  151    H    ILE 531           H        ILE 531  -0.480   9.401  -2.102
  152    HA   ILE 531           HA       ILE 531   1.586   8.797  -0.075
  153    HB   ILE 531           HB       ILE 531  -1.127   7.540  -0.550
  154   1HG1  ILE 531          2HG1      ILE 531  -1.380   8.607   1.828
  155   2HG1  ILE 531          1HG1      ILE 531  -0.032   9.621   1.313
  156   1HG2  ILE 531          2HG2      ILE 531   1.169   6.503   0.712
  157   2HG2  ILE 531          1HG2      ILE 531   0.106   7.037   2.014
  158   3HG2  ILE 531          3HG2      ILE 531  -0.479   5.879   0.819
  159   1HD1  ILE 531          3HD1      ILE 531  -2.436   9.237  -0.438
  160   2HD1  ILE 531          2HD1      ILE 531  -2.419  10.462   0.833
  161   3HD1  ILE 531          1HD1      ILE 531  -1.236  10.529  -0.476
  162    H    TYR 532           H        TYR 532   3.239   7.663  -0.878
  163    HA   TYR 532           HA       TYR 532   2.773   5.711  -2.995
  164   1HB   TYR 532          2HB       TYR 532   5.235   6.528  -1.497
  165   2HB   TYR 532          1HB       TYR 532   5.229   5.166  -2.593
  166    HD1  TYR 532           HD2      TYR 532   3.705   8.570  -2.636
  167    HD2  TYR 532           HD1      TYR 532   6.136   5.674  -4.677
  168    HE1  TYR 532           HE2      TYR 532   4.031  10.162  -4.526
  169    HE2  TYR 532           HE1      TYR 532   6.454   7.260  -6.558
  170    HH   TYR 532           HH       TYR 532   6.355   9.973  -6.717
  171    H    LEU 533           H        LEU 533   4.313   3.569  -2.282
  172    HA   LEU 533           HA       LEU 533   3.619   2.693   0.424
  173   1HB   LEU 533          2HB       LEU 533   1.486   2.270  -0.622
  174   2HB   LEU 533          1HB       LEU 533   2.260   1.520  -2.016
  175    HG   LEU 533           HG       LEU 533   3.266  -0.095  -0.150
  176   1HD1  LEU 533          1HD1      LEU 533   1.767   1.484   1.469
  177   2HD1  LEU 533          3HD1      LEU 533   0.593   0.227   1.084
  178   3HD1  LEU 533          2HD1      LEU 533   2.133  -0.204   1.828
  179   1HD2  LEU 533          1HD2      LEU 533   0.661  -0.089  -1.613
  180   2HD2  LEU 533          3HD2      LEU 533   2.040  -1.172  -1.788
  181   3HD2  LEU 533          2HD2      LEU 533   0.934  -1.366  -0.428
  182    H    VAL 534           H        VAL 534   5.336   1.521   1.049
  183    HA   VAL 534           HA       VAL 534   6.796   0.003  -1.068
  184    HB   VAL 534           HB       VAL 534   8.282   1.578  -0.112
  185   1HG1  VAL 534          3HG1      VAL 534   6.728   1.167   2.247
  186   2HG1  VAL 534          2HG1      VAL 534   8.448   1.013   2.589
  187   3HG1  VAL 534          1HG1      VAL 534   7.832   2.483   1.840
  188   1HG2  VAL 534          2HG2      VAL 534   8.755  -1.017   1.296
  189   2HG2  VAL 534          1HG2      VAL 534   9.301  -0.578  -0.317
  190   3HG2  VAL 534          3HG2      VAL 534   9.928   0.280   1.074
  191    H    GLY 535           H        GLY 535   7.843  -2.141   0.141
  192   1HA   GLY 535          2HA       GLY 535   5.570  -3.152   1.830
  193   2HA   GLY 535          1HA       GLY 535   6.075  -4.037   0.409
  194    H    SER 536           H        SER 536   5.968  -5.525   2.466
  195    HA   SER 536           HA       SER 536   8.487  -5.581   3.976
  196   1HB   SER 536          2HB       SER 536   6.823  -6.236   5.424
  197   2HB   SER 536          1HB       SER 536   5.857  -6.955   4.139
  198    HG   SER 536           HG       SER 536   6.751  -8.784   4.610
  199    H    ILE 537           H        ILE 537   7.968  -6.344   0.951
  200    HA   ILE 537           HA       ILE 537   9.867  -8.605   1.059
  201    HB   ILE 537           HB       ILE 537   8.556 -10.039  -0.346
  202   1HG1  ILE 537          2HG1      ILE 537   6.932  -7.545  -0.734
  203   2HG1  ILE 537          1HG1      ILE 537   7.523  -8.688  -1.934
  204   1HG2  ILE 537          3HG2      ILE 537   7.909  -9.675   2.176
  205   2HG2  ILE 537          2HG2      ILE 537   6.440  -8.959   1.508
  206   3HG2  ILE 537          1HG2      ILE 537   6.851 -10.636   1.144
  207   1HD1  ILE 537          2HD1      ILE 537   5.891 -10.349  -0.640
  208   2HD1  ILE 537          1HD1      ILE 537   5.077  -8.840  -0.231
  209   3HD1  ILE 537          3HD1      ILE 537   5.299  -9.292  -1.922
  210    H    SER 538           H        SER 538  11.103  -8.752  -0.915
  211    HA   SER 538           HA       SER 538  11.974  -6.449  -2.074
  212   1HB   SER 538          2HB       SER 538  12.141  -7.944  -4.280
  213   2HB   SER 538          1HB       SER 538  13.204  -8.181  -2.894
  214    HG   SER 538           HG       SER 538  11.067  -9.711  -3.815
  215    H    GLN 539           H        GLN 539   8.957  -8.060  -2.925
  216    HA   GLN 539           HA       GLN 539   8.252  -7.044  -5.348
  217   1HB   GLN 539          2HB       GLN 539   6.690  -7.318  -2.845
  218   2HB   GLN 539          1HB       GLN 539   5.930  -6.624  -4.260
  219   1HG   GLN 539          2HG       GLN 539   7.406  -8.969  -5.028
  220   2HG   GLN 539          1HG       GLN 539   6.324  -9.372  -3.694
  221   1HE2  GLN 539          2HE2      GLN 539   4.334  -7.584  -6.796
  222   2HE2  GLN 539          1HE2      GLN 539   5.685  -6.821  -6.106
  223    H    LEU 540           H        LEU 540   7.966  -5.163  -2.327
  224    HA   LEU 540           HA       LEU 540   7.611  -2.732  -3.968
  225   1HB   LEU 540          2HB       LEU 540   6.938  -3.425  -1.106
  226   2HB   LEU 540          1HB       LEU 540   7.294  -1.735  -1.549
  227    HG   LEU 540           HG       LEU 540   5.255  -3.482  -2.960
  228   1HD1  LEU 540          2HD1      LEU 540   4.881  -2.496  -0.536
  229   2HD1  LEU 540          1HD1      LEU 540   4.570  -1.008  -1.433
  230   3HD1  LEU 540          3HD1      LEU 540   3.598  -2.451  -1.744
  231   1HD2  LEU 540          1HD2      LEU 540   6.644  -1.139  -3.779
  232   2HD2  LEU 540          3HD2      LEU 540   5.300  -1.941  -4.593
  233   3HD2  LEU 540          2HD2      LEU 540   4.985  -0.665  -3.418
  234    H    GLY 541           H        GLY 541  10.114  -3.887  -3.973
  235   1HA   GLY 541          2HA       GLY 541  12.341  -3.142  -3.892
  236   2HA   GLY 541          1HA       GLY 541  11.747  -1.637  -3.197
  237    H    ASP 542           H        ASP 542  10.808  -4.521  -1.546
  238    HA   ASP 542           HA       ASP 542  11.696  -5.547   0.392
  239   1HB   ASP 542          2HB       ASP 542  13.965  -3.590   0.436
  240   2HB   ASP 542          1HB       ASP 542  13.925  -5.245   1.047
  241    H    TRP 543           H        TRP 543  12.539  -2.155   0.588
  242    HA   TRP 543           HA       TRP 543  10.422  -1.370   2.226
  243   1HB   TRP 543          2HB       TRP 543  12.817  -2.378   3.707
  244   2HB   TRP 543          1HB       TRP 543  12.011  -0.929   4.328
  245    HD1  TRP 543           HD1      TRP 543  11.887  -4.276   5.209
  246    HE1  TRP 543           HE1      TRP 543   9.515  -5.176   5.687
  247    HE3  TRP 543           HE3      TRP 543   9.091  -0.564   3.140
  248    HZ2  TRP 543           HZ2      TRP 543   6.785  -4.413   5.162
  249    HZ3  TRP 543           HZ3      TRP 543   6.626  -0.674   3.130
  250    HH2  TRP 543           HH2      TRP 543   5.476  -2.603   4.171
  251    H    GLU 544           H        GLU 544  11.707  -0.413   0.000
  252    HA   GLU 544           HA       GLU 544  12.986   2.082   1.051
  253   1HB   GLU 544          2HB       GLU 544  13.364   0.505  -1.473
  254   2HB   GLU 544          1HB       GLU 544  13.575   2.256  -1.532
  255   1HG   GLU 544          2HG       GLU 544  15.467   2.209  -0.245
  256   2HG   GLU 544          1HG       GLU 544  14.892   0.859   0.733
  257    H    THR 545           H        THR 545  11.858   3.974   0.638
  258    HA   THR 545           HA       THR 545   9.176   3.602  -0.455
  259    HB   THR 545           HB       THR 545   9.219   5.144   1.352
  260    HG1  THR 545           HG1      THR 545   8.474   5.920  -0.993
  261   1HG2  THR 545          3HG2      THR 545  11.534   6.480  -0.069
  262   2HG2  THR 545          2HG2      THR 545  10.731   7.132   1.360
  263   3HG2  THR 545          1HG2      THR 545  11.599   5.605   1.459
  264    H    SER 546           H        SER 546  12.278   4.759  -1.553
  265    HA   SER 546           HA       SER 546  11.244   6.133  -3.881
  266   1HB   SER 546          2HB       SER 546  13.821   5.715  -4.452
  267   2HB   SER 546          1HB       SER 546  13.320   6.994  -3.360
  268    HG   SER 546           HG       SER 546  14.703   5.920  -2.129
  269    H    ASP 547           H        ASP 547  11.581   2.969  -2.954
  270    HA   ASP 547           HA       ASP 547  11.599   2.043  -5.779
  271   1HB   ASP 547          2HB       ASP 547  12.899   0.925  -3.334
  272   2HB   ASP 547          1HB       ASP 547  12.269  -0.215  -4.521
  273    H    GLY 548           H        GLY 548   9.755   2.538  -3.096
  274   1HA   GLY 548          2HA       GLY 548   8.100   0.167  -3.083
  275   2HA   GLY 548          1HA       GLY 548   7.656   1.735  -2.387
  276    H    ILE 549           H        ILE 549   5.732   2.347  -3.378
  277    HA   ILE 549           HA       ILE 549   5.801   2.769  -6.266
  278    HB   ILE 549           HB       ILE 549   3.948   0.705  -5.044
  279   1HG1  ILE 549          2HG1      ILE 549   6.022   0.670  -7.258
  280   2HG1  ILE 549          1HG1      ILE 549   6.060  -0.231  -5.741
  281   1HG2  ILE 549          3HG2      ILE 549   3.828   2.087  -7.742
  282   2HG2  ILE 549          2HG2      ILE 549   2.934   0.619  -7.347
  283   3HG2  ILE 549          1HG2      ILE 549   2.597   2.117  -6.479
  284   1HD1  ILE 549          2HD1      ILE 549   4.037  -1.475  -6.436
  285   2HD1  ILE 549          1HD1      ILE 549   4.029  -0.593  -7.963
  286   3HD1  ILE 549          3HD1      ILE 549   5.354  -1.694  -7.588
  287    H    ALA 550           H        ALA 550   4.703   4.572  -6.715
  288    HA   ALA 550           HA       ALA 550   3.282   6.003  -4.693
  289   1HB   ALA 550          1HB       ALA 550   4.316   6.651  -7.146
  290   2HB   ALA 550          3HB       ALA 550   2.577   6.712  -7.432
  291   3HB   ALA 550          2HB       ALA 550   3.291   7.697  -6.159
  292    H    LEU 551           H        LEU 551   1.092   6.238  -4.334
  293    HA   LEU 551           HA       LEU 551  -0.581   4.188  -5.656
  294   1HB   LEU 551          2HB       LEU 551  -0.942   5.734  -3.094
  295   2HB   LEU 551          1HB       LEU 551  -2.227   4.783  -3.812
  296    HG   LEU 551           HG       LEU 551  -0.462   2.858  -3.836
  297   1HD1  LEU 551          1HD1      LEU 551   1.218   4.734  -3.050
  298   2HD1  LEU 551          3HD1      LEU 551   0.627   4.275  -1.458
  299   3HD1  LEU 551          2HD1      LEU 551   1.383   3.073  -2.506
  300   1HD2  LEU 551          3HD2      LEU 551  -1.909   3.960  -1.427
  301   2HD2  LEU 551          2HD2      LEU 551  -2.365   2.596  -2.447
  302   3HD2  LEU 551          1HD2      LEU 551  -1.004   2.450  -1.335
  303    H    SER 552           H        SER 552  -3.059   5.073  -5.567
  304    HA   SER 552           HA       SER 552  -3.011   7.818  -6.684
  305   1HB   SER 552          2HB       SER 552  -2.856   6.422  -8.558
  306   2HB   SER 552          1HB       SER 552  -4.153   5.396  -7.988
  307    HG   SER 552           HG       SER 552  -4.550   7.220  -9.619
  308    H    ALA 553           H        ALA 553  -5.462   8.449  -7.153
  309    HA   ALA 553           HA       ALA 553  -7.054   7.554  -4.790
  310   1HB   ALA 553          2HB       ALA 553  -6.010   9.827  -4.549
  311   2HB   ALA 553          1HB       ALA 553  -6.930  10.338  -5.966
  312   3HB   ALA 553          3HB       ALA 553  -7.778   9.849  -4.501
  313    H    ASP 554           H        ASP 554  -7.332   6.409  -7.347
  314    HA   ASP 554           HA       ASP 554  -9.193   7.577  -9.072
  315   1HB   ASP 554          2HB       ASP 554  -9.232   5.508 -10.058
  316   2HB   ASP 554          1HB       ASP 554  -7.788   5.322  -9.093
  317    H    LYS 555           H        LYS 555  -9.840   5.426  -6.271
  318    HA   LYS 555           HA       LYS 555 -12.728   6.074  -6.507
  319   1HB   LYS 555          2HB       LYS 555 -11.144   3.875  -5.379
  320   2HB   LYS 555          1HB       LYS 555 -12.448   4.409  -4.318
  321   1HG   LYS 555          2HG       LYS 555 -14.073   4.143  -6.126
  322   2HG   LYS 555          1HG       LYS 555 -12.786   3.695  -7.246
  323   1HD   LYS 555          2HD       LYS 555 -12.380   1.644  -6.146
  324   2HD   LYS 555          1HD       LYS 555 -13.230   2.159  -4.688
  325   1HE   LYS 555          2HE       LYS 555 -14.414   1.405  -7.364
  326   2HE   LYS 555          1HE       LYS 555 -14.733   0.678  -5.788
  327   1HZ   LYS 555          2HZ       LYS 555 -15.500   3.060  -5.189
  328   2HZ   LYS 555          1HZ       LYS 555 -15.664   3.249  -6.870
  329   3HZ   LYS 555          3HZ       LYS 555 -16.542   2.042  -6.065
  330    H    TYR 556           H        TYR 556 -10.389   7.812  -5.379
  331    HA   TYR 556           HA       TYR 556 -11.724   8.446  -2.782
  332   1HB   TYR 556          2HB       TYR 556  -9.600   7.855  -2.091
  333   2HB   TYR 556          1HB       TYR 556  -8.865   8.298  -3.621
  334    HD1  TYR 556           HD2      TYR 556 -11.077  10.679  -1.783
  335    HD2  TYR 556           HD1      TYR 556  -7.038   9.473  -2.602
  336    HE1  TYR 556           HE2      TYR 556 -10.272  12.746  -0.753
  337    HE2  TYR 556           HE1      TYR 556  -6.230  11.592  -1.622
  338    HH   TYR 556           HH       TYR 556  -8.462  14.134  -0.689
  339    H    THR 557           H        THR 557 -12.829  10.330  -2.878
  340    HA   THR 557           HA       THR 557 -11.651  12.564  -4.408
  341    HB   THR 557           HB       THR 557 -13.128  11.944  -6.089
  342    HG1  THR 557           HG1      THR 557 -15.093  13.196  -5.729
  343   1HG2  THR 557          3HG2      THR 557 -14.647  10.737  -3.821
  344   2HG2  THR 557          2HG2      THR 557 -15.548  11.166  -5.275
  345   3HG2  THR 557          1HG2      THR 557 -14.200  10.033  -5.376
  346    H    SER 558           H        SER 558 -14.971  12.564  -3.264
  347    HA   SER 558           HA       SER 558 -14.082  14.291  -0.986
  348   1HB   SER 558          2HB       SER 558 -15.719  14.974  -3.211
  349   2HB   SER 558          1HB       SER 558 -16.760  14.927  -1.790
  350    HG   SER 558           HG       SER 558 -15.241  16.296  -0.752
  351    H    SER 559           H        SER 559 -16.538  12.000  -2.159
  352    HA   SER 559           HA       SER 559 -17.981  11.889   0.341
  353   1HB   SER 559          2HB       SER 559 -18.113  10.615  -2.253
  354   2HB   SER 559          1HB       SER 559 -18.286   9.414  -0.978
  355    HG   SER 559           HG       SER 559 -19.791  11.119  -0.062
  356    H    ASP 560           H        ASP 560 -16.369   9.074  -1.063
  357    HA   ASP 560           HA       ASP 560 -15.235   8.503   1.643
  358   1HB   ASP 560          2HB       ASP 560 -16.768   6.765   0.973
  359   2HB   ASP 560          1HB       ASP 560 -16.030   6.660  -0.626
  360    HA   PRO 561           HA       PRO 561 -11.531   9.316  -0.788
  361   1HB   PRO 561          2HB       PRO 561 -10.040  10.123   1.371
  362   2HB   PRO 561          1HB       PRO 561 -11.099  11.207   0.443
  363   1HG   PRO 561          2HG       PRO 561 -11.478  10.074   3.145
  364   2HG   PRO 561          1HG       PRO 561 -12.230  11.497   2.401
  365   1HD   PRO 561          2HD       PRO 561 -13.428   8.908   2.747
  366   2HD   PRO 561          1HD       PRO 561 -14.110  10.290   1.862
  367    H    LEU 562           H        LEU 562 -11.019   7.126  -1.201
  368    HA   LEU 562           HA       LEU 562  -9.140   6.082   0.785
  369   1HB   LEU 562          2HB       LEU 562  -9.882   3.720   0.348
  370   2HB   LEU 562          1HB       LEU 562 -10.978   4.690   1.314
  371    HG   LEU 562           HG       LEU 562 -12.333   3.466  -0.174
  372   1HD1  LEU 562          1HD1      LEU 562 -12.567   6.116  -0.166
  373   2HD1  LEU 562          3HD1      LEU 562 -12.156   5.905  -1.873
  374   3HD1  LEU 562          2HD1      LEU 562 -13.569   5.097  -1.200
  375   1HD2  LEU 562          1HD2      LEU 562 -10.079   3.261  -1.678
  376   2HD2  LEU 562          3HD2      LEU 562 -11.686   2.744  -2.207
  377   3HD2  LEU 562          2HD2      LEU 562 -11.074   4.328  -2.687
  378    H    TRP 563           H        TRP 563  -7.267   6.150  -0.161
  379    HA   TRP 563           HA       TRP 563  -6.853   6.148  -3.041
  380   1HB   TRP 563          2HB       TRP 563  -5.036   5.747  -0.707
  381   2HB   TRP 563          1HB       TRP 563  -4.462   5.701  -2.313
  382    HD1  TRP 563           HD1      TRP 563  -6.306   8.467  -0.128
  383    HE1  TRP 563           HE1      TRP 563  -5.103  10.638  -0.748
  384    HE3  TRP 563           HE3      TRP 563  -3.130   6.703  -3.651
  385    HZ2  TRP 563           HZ2      TRP 563  -3.080  11.545  -2.596
  386    HZ3  TRP 563           HZ3      TRP 563  -1.579   8.222  -4.825
  387    HH2  TRP 563           HH2      TRP 563  -1.561  10.594  -4.318
  388    H    TYR 564           H        TYR 564  -4.822   4.463  -3.528
  389    HA   TYR 564           HA       TYR 564  -4.332   2.220  -2.312
  390   1HB   TYR 564          2HB       TYR 564  -5.833   0.401  -3.089
  391   2HB   TYR 564          1HB       TYR 564  -6.570   1.488  -1.936
  392    HD1  TYR 564           HD2      TYR 564  -6.142   1.023  -5.603
  393    HD2  TYR 564           HD1      TYR 564  -8.609   2.340  -2.372
  394    HE1  TYR 564           HE2      TYR 564  -7.997   1.387  -7.175
  395    HE2  TYR 564           HE1      TYR 564 -10.466   2.703  -3.918
  396    HH   TYR 564           HH       TYR 564 -10.397   1.580  -7.196
  397    H    VAL 565           H        VAL 565  -3.839   0.369  -3.340
  398    HA   VAL 565           HA       VAL 565  -3.375   0.381  -6.230
  399    HB   VAL 565           HB       VAL 565  -1.091   0.708  -4.282
  400   1HG1  VAL 565          3HG1      VAL 565  -1.174  -0.867  -6.630
  401   2HG1  VAL 565          2HG1      VAL 565  -0.423   0.659  -7.100
  402   3HG1  VAL 565          1HG1      VAL 565   0.271  -0.299  -5.791
  403   1HG2  VAL 565          1HG2      VAL 565  -2.433   2.221  -6.441
  404   2HG2  VAL 565          3HG2      VAL 565  -1.926   2.752  -4.840
  405   3HG2  VAL 565          2HG2      VAL 565  -0.720   2.484  -6.113
  406    H    THR 566           H        THR 566  -3.442  -1.607  -6.881
  407    HA   THR 566           HA       THR 566  -3.429  -3.767  -4.894
  408    HB   THR 566           HB       THR 566  -5.110  -3.715  -6.736
  409    HG1  THR 566           HG1      THR 566  -4.873  -5.867  -7.259
  410   1HG2  THR 566          3HG2      THR 566  -2.749  -3.138  -8.199
  411   2HG2  THR 566          2HG2      THR 566  -3.435  -4.629  -8.854
  412   3HG2  THR 566          1HG2      THR 566  -4.414  -3.159  -8.792
  413    H    VAL 567           H        VAL 567  -1.108  -3.545  -4.415
  414    HA   VAL 567           HA       VAL 567   0.852  -4.057  -6.499
  415    HB   VAL 567           HB       VAL 567   1.034  -3.986  -3.482
  416   1HG1  VAL 567          3HG1      VAL 567   2.883  -5.227  -5.448
  417   2HG1  VAL 567          2HG1      VAL 567   3.639  -4.159  -4.255
  418   3HG1  VAL 567          1HG1      VAL 567   2.687  -5.550  -3.723
  419   1HG2  VAL 567          3HG2      VAL 567   2.314  -2.356  -5.701
  420   2HG2  VAL 567          2HG2      VAL 567   0.978  -1.822  -4.676
  421   3HG2  VAL 567          1HG2      VAL 567   2.574  -2.102  -3.975
  422    H    THR 568           H        THR 568   1.312  -6.027  -7.290
  423    HA   THR 568           HA       THR 568  -0.025  -8.373  -6.431
  424    HB   THR 568           HB       THR 568   2.147  -9.383  -7.661
  425    HG1  THR 568           HG1      THR 568   3.184  -7.950  -8.790
  426   1HG2  THR 568          1HG2      THR 568  -0.318  -8.068  -8.777
  427   2HG2  THR 568          3HG2      THR 568   0.836  -8.886  -9.831
  428   3HG2  THR 568          2HG2      THR 568   0.012  -9.788  -8.557
  429    H    LEU 569           H        LEU 569   0.712 -10.157  -5.306
  430    HA   LEU 569           HA       LEU 569   3.280 -10.035  -3.856
  431   1HB   LEU 569          2HB       LEU 569   0.593 -10.265  -2.435
  432   2HB   LEU 569          1HB       LEU 569   2.169 -10.435  -1.665
  433    HG   LEU 569           HG       LEU 569   1.179  -7.929  -3.080
  434   1HD1  LEU 569          2HD1      LEU 569   0.456  -8.848  -0.560
  435   2HD1  LEU 569          1HD1      LEU 569   1.825  -7.787  -0.203
  436   3HD1  LEU 569          3HD1      LEU 569   0.422  -7.162  -1.078
  437   1HD2  LEU 569          1HD2      LEU 569   3.658  -8.358  -3.146
  438   2HD2  LEU 569          3HD2      LEU 569   3.214  -6.899  -2.253
  439   3HD2  LEU 569          2HD2      LEU 569   3.645  -8.376  -1.386
  440    HA   PRO 570           HA       PRO 570   3.051 -14.299  -4.774
  441   1HB   PRO 570          2HB       PRO 570   4.446 -15.376  -2.644
  442   2HB   PRO 570          1HB       PRO 570   5.187 -14.608  -4.058
  443   1HG   PRO 570          2HG       PRO 570   4.816 -13.514  -1.308
  444   2HG   PRO 570          1HG       PRO 570   6.075 -13.159  -2.499
  445   1HD   PRO 570          2HD       PRO 570   3.907 -11.475  -1.969
  446   2HD   PRO 570          1HD       PRO 570   4.866 -11.449  -3.458
  447    H    ALA 571           H        ALA 571   2.751 -16.524  -3.232
  448    HA   ALA 571           HA       ALA 571   0.004 -16.085  -2.230
  449   1HB   ALA 571          2HB       ALA 571   0.930 -17.888  -4.003
  450   2HB   ALA 571          1HB       ALA 571   1.013 -18.843  -2.524
  451   3HB   ALA 571          3HB       ALA 571  -0.521 -18.139  -3.035
  452    H    GLY 572           H        GLY 572  -0.755 -17.680  -0.560
  453   1HA   GLY 572          2HA       GLY 572  -0.760 -17.950   1.797
  454   2HA   GLY 572          1HA       GLY 572   0.512 -19.081   1.350
  455    H    GLU 573           H        GLU 573   0.148 -15.527   1.900
  456    HA   GLU 573           HA       GLU 573   2.509 -15.749   3.683
  457   1HB   GLU 573          2HB       GLU 573   2.615 -14.704   1.004
  458   2HB   GLU 573          1HB       GLU 573   3.045 -13.458   2.178
  459   1HG   GLU 573          2HG       GLU 573   5.101 -14.407   2.190
  460   2HG   GLU 573          1HG       GLU 573   4.360 -15.691   3.147
  461    H    SER 574           H        SER 574   2.260 -14.545   5.450
  462    HA   SER 574           HA       SER 574   0.039 -12.608   5.602
  463   1HB   SER 574          2HB       SER 574   0.211 -13.908   7.574
  464   2HB   SER 574          1HB       SER 574   1.969 -13.811   7.590
  465    HG   SER 574           HG       SER 574   1.211 -12.382   9.107
  466    H    PHE 575           H        PHE 575   1.601 -11.638   3.802
  467    HA   PHE 575           HA       PHE 575   3.956 -10.327   4.161
  468   1HB   PHE 575          2HB       PHE 575   1.510  -9.166   2.808
  469   2HB   PHE 575          1HB       PHE 575   3.187  -8.708   2.506
  470    HD1  PHE 575           HD1      PHE 575   4.740 -10.233   1.428
  471    HD2  PHE 575           HD2      PHE 575   0.602 -11.312   1.951
  472    HE1  PHE 575           HE1      PHE 575   5.002 -12.045  -0.227
  473    HE2  PHE 575           HE2      PHE 575   0.880 -13.122   0.291
  474    HZ   PHE 575           HZ       PHE 575   3.067 -13.490  -0.802
  475    H    GLU 576           H        GLU 576   4.142  -7.831   4.198
  476    HA   GLU 576           HA       GLU 576   2.490  -6.547   6.291
  477   1HB   GLU 576          2HB       GLU 576   5.390  -6.080   6.608
  478   2HB   GLU 576          1HB       GLU 576   4.148  -6.299   7.839
  479   1HG   GLU 576          2HG       GLU 576   4.164  -8.724   7.455
  480   2HG   GLU 576          1HG       GLU 576   5.363  -8.526   6.177
  481    H    TYR 577           H        TYR 577   1.803  -4.868   5.025
  482    HA   TYR 577           HA       TYR 577   3.896  -3.430   3.449
  483   1HB   TYR 577          2HB       TYR 577   1.053  -4.164   2.808
  484   2HB   TYR 577          1HB       TYR 577   1.771  -2.724   2.073
  485    HD1  TYR 577           HD1      TYR 577   2.354  -6.414   2.574
  486    HD2  TYR 577           HD2      TYR 577   3.254  -2.897   0.289
  487    HE1  TYR 577           HE1      TYR 577   3.703  -7.777   1.009
  488    HE2  TYR 577           HE2      TYR 577   4.590  -4.289  -1.290
  489    HH   TYR 577           HH       TYR 577   5.287  -6.286  -1.815
  490    H    LYS 578           H        LYS 578   3.700  -1.089   3.362
  491    HA   LYS 578           HA       LYS 578   1.723   0.120   5.198
  492   1HB   LYS 578          2HB       LYS 578   3.713   1.401   6.280
  493   2HB   LYS 578          1HB       LYS 578   3.323  -0.221   6.838
  494   1HG   LYS 578          2HG       LYS 578   5.704  -0.162   6.499
  495   2HG   LYS 578          1HG       LYS 578   5.015  -1.104   5.177
  496   1HD   LYS 578          2HD       LYS 578   6.749   0.626   4.490
  497   2HD   LYS 578          1HD       LYS 578   5.201   0.738   3.652
  498   1HE   LYS 578          2HE       LYS 578   4.486   2.536   5.098
  499   2HE   LYS 578          1HE       LYS 578   5.918   2.348   6.107
  500   1HZ   LYS 578          1HZ       LYS 578   7.059   2.696   3.753
  501   2HZ   LYS 578          3HZ       LYS 578   5.639   3.582   3.487
  502   3HZ   LYS 578          2HZ       LYS 578   6.663   3.992   4.778
  503    H    PHE 579           H        PHE 579   1.811   2.502   5.198
  504    HA   PHE 579           HA       PHE 579   2.272   3.479   2.460
  505   1HB   PHE 579          2HB       PHE 579   0.600   5.005   2.901
  506   2HB   PHE 579          1HB       PHE 579   0.169   3.763   4.051
  507    HD1  PHE 579           HD2      PHE 579   1.668   7.101   3.650
  508    HD2  PHE 579           HD1      PHE 579   0.533   4.041   6.444
  509    HE1  PHE 579           HE2      PHE 579   1.935   8.709   5.519
  510    HE2  PHE 579           HE1      PHE 579   0.800   5.649   8.313
  511    HZ   PHE 579           HZ       PHE 579   1.502   7.982   7.851
  512    H    ILE 580           H        ILE 580   2.996   5.755   2.190
  513    HA   ILE 580           HA       ILE 580   5.077   6.751   4.122
  514    HB   ILE 580           HB       ILE 580   6.236   7.206   1.683
  515   1HG1  ILE 580          2HG1      ILE 580   5.311   4.336   1.602
  516   2HG1  ILE 580          1HG1      ILE 580   4.502   5.621   0.694
  517   1HG2  ILE 580          1HG2      ILE 580   6.907   5.941   4.017
  518   2HG2  ILE 580          3HG2      ILE 580   7.116   4.669   2.810
  519   3HG2  ILE 580          2HG2      ILE 580   7.965   6.211   2.621
  520   1HD1  ILE 580          1HD1      ILE 580   6.774   6.207  -0.265
  521   2HD1  ILE 580          3HD1      ILE 580   7.372   4.706   0.436
  522   3HD1  ILE 580          2HD1      ILE 580   6.113   4.661  -0.800
  523    H    ARG 581           H        ARG 581   5.167   9.024   4.022
  524    HA   ARG 581           HA       ARG 581   3.118  10.422   2.395
  525   1HB   ARG 581          2HB       ARG 581   3.218  11.212   4.659
  526   2HB   ARG 581          1HB       ARG 581   4.979  11.237   4.641
  527   1HG   ARG 581          2HG       ARG 581   5.050  13.309   3.743
  528   2HG   ARG 581          1HG       ARG 581   3.818  12.913   2.544
  529   1HD   ARG 581          2HD       ARG 581   2.125  13.744   3.822
  530   2HD   ARG 581          1HD       ARG 581   2.823  13.124   5.319
  531    HE   ARG 581           HE       ARG 581   3.788  15.626   3.988
  532   1HH1  ARG 581          1HH2      ARG 581   5.692  15.698   5.761
  533   2HH1  ARG 581          2HH2      ARG 581   5.037  15.994   7.337
  534   1HH2  ARG 581          2HH1      ARG 581   1.799  15.132   6.443
  535   2HH2  ARG 581          1HH1      ARG 581   2.833  15.673   7.722
  536    H    ILE 582           H        ILE 582   3.974  10.561   0.246
  537    HA   ILE 582           HA       ILE 582   6.822  11.408   0.095
  538    HB   ILE 582           HB       ILE 582   5.015  10.220  -2.025
  539   1HG1  ILE 582          2HG1      ILE 582   6.511   8.251  -1.779
  540   2HG1  ILE 582          1HG1      ILE 582   7.379   9.065  -0.482
  541   1HG2  ILE 582          1HG2      ILE 582   7.040  11.884  -2.594
  542   2HG2  ILE 582          3HG2      ILE 582   7.982  10.413  -2.343
  543   3HG2  ILE 582          2HG2      ILE 582   6.706  10.445  -3.562
  544   1HD1  ILE 582          3HD1      ILE 582   4.420   8.848  -0.240
  545   2HD1  ILE 582          2HD1      ILE 582   5.380   7.399   0.047
  546   3HD1  ILE 582          1HD1      ILE 582   5.656   8.844   1.013
  547    H    GLU 583           H        GLU 583   7.233  13.435  -0.225
  548    HA   GLU 583           HA       GLU 583   5.282  15.424  -0.952
  549   1HB   GLU 583          2HB       GLU 583   8.120  15.280  -0.195
  550   2HB   GLU 583          1HB       GLU 583   7.772  16.576  -1.332
  551   1HG   GLU 583          2HG       GLU 583   6.610  17.766   0.225
  552   2HG   GLU 583          1HG       GLU 583   5.789  16.327   0.833
  553    H    SER 584           H        SER 584   6.357  17.063  -2.810
  554    HA   SER 584           HA       SER 584   5.806  15.812  -5.288
  555   1HB   SER 584          2HB       SER 584   7.534  18.248  -4.784
  556   2HB   SER 584          1HB       SER 584   6.836  17.797  -6.336
  557    HG   SER 584           HG       SER 584   5.718  19.101  -4.250
  558    H    ASP 585           H        ASP 585   8.531  15.750  -3.299
  559    HA   ASP 585           HA       ASP 585  10.185  14.508  -5.448
  560   1HB   ASP 585          2HB       ASP 585  12.104  14.990  -3.852
  561   2HB   ASP 585          1HB       ASP 585  11.333  16.418  -4.539
  562    H    ASP 586           H        ASP 586  11.949  13.135  -3.850
  563    HA   ASP 586           HA       ASP 586  10.281  10.920  -2.938
  564   1HB   ASP 586          2HB       ASP 586  12.330   9.639  -2.871
  565   2HB   ASP 586          1HB       ASP 586  12.324  10.581  -4.362
  566    H    SER 587           H        SER 587  10.872  13.610  -1.347
  567    HA   SER 587           HA       SER 587  12.100  12.508   1.099
  568   1HB   SER 587          2HB       SER 587  10.546  15.084   0.652
  569   2HB   SER 587          1HB       SER 587  11.414  14.665   2.126
  570    HG   SER 587           HG       SER 587  13.270  15.031   1.146
  571    H    VAL 588           H        VAL 588  10.826  11.523   2.811
  572    HA   VAL 588           HA       VAL 588   7.929  11.943   2.563
  573    HB   VAL 588           HB       VAL 588   7.321   9.810   1.863
  574   1HG1  VAL 588          1HG1      VAL 588  10.075  10.262   0.778
  575   2HG1  VAL 588          3HG1      VAL 588   9.040   8.937   0.262
  576   3HG1  VAL 588          2HG1      VAL 588   8.529  10.611   0.001
  577   1HG2  VAL 588          1HG2      VAL 588   9.740   8.948   3.333
  578   2HG2  VAL 588          3HG2      VAL 588   8.110   8.274   3.318
  579   3HG2  VAL 588          2HG2      VAL 588   9.189   7.967   1.967
  580    H    GLU 589           H        GLU 589   6.758  10.267   3.936
  581    HA   GLU 589           HA       GLU 589   8.068   9.933   6.595
  582   1HB   GLU 589          2HB       GLU 589   5.099  10.441   6.253
  583   2HB   GLU 589          1HB       GLU 589   6.044  10.497   7.738
  584   1HG   GLU 589          2HG       GLU 589   7.326  12.434   6.736
  585   2HG   GLU 589          1HG       GLU 589   6.131  12.462   5.442
  586    H    TRP 590           H        TRP 590   6.799   8.134   7.801
  587    HA   TRP 590           HA       TRP 590   6.094   6.165   5.712
  588   1HB   TRP 590          2HB       TRP 590   8.363   6.427   7.544
  589   2HB   TRP 590          1HB       TRP 590   7.703   4.846   7.339
  590    HD1  TRP 590           HD1      TRP 590   8.750   7.733   4.998
  591    HE1  TRP 590           HE1      TRP 590  10.051   6.694   3.031
  592    HE3  TRP 590           HE3      TRP 590   8.214   2.823   6.144
  593    HZ2  TRP 590           HZ2      TRP 590  10.766   4.073   2.089
  594    HZ3  TRP 590           HZ3      TRP 590   9.213   1.059   4.709
  595    HH2  TRP 590           HH2      TRP 590  10.477   1.685   2.669
  596    H    GLU 591           H        GLU 591   5.890   4.037   6.739
  597    HA   GLU 591           HA       GLU 591   3.606   3.412   8.004
  598   1HB   GLU 591          2HB       GLU 591   5.011   1.593   9.260
  599   2HB   GLU 591          1HB       GLU 591   4.982   1.539   7.519
  600   1HG   GLU 591          2HG       GLU 591   7.195   1.906   7.399
  601   2HG   GLU 591          1HG       GLU 591   7.060   3.328   8.433
  602    H    SER 592           H        SER 592   2.698   3.572  10.043
  603    HA   SER 592           HA       SER 592   4.119   5.061  12.122
  604   1HB   SER 592          2HB       SER 592   1.495   4.714  11.793
  605   2HB   SER 592          1HB       SER 592   1.789   3.222  12.683
  606    HG   SER 592           HG       SER 592   1.623   5.745  13.590
  607    H    ASP 593           H        ASP 593   3.232   2.791  14.111
  608    HA   ASP 593           HA       ASP 593   5.672   1.212  13.551
  609   1HB   ASP 593          2HB       ASP 593   4.016   1.667  15.973
  610   2HB   ASP 593          1HB       ASP 593   4.801   0.093  15.806
  611    HA   PRO 594           HA       PRO 594   2.572  -2.331  13.746
  612   1HB   PRO 594          2HB       PRO 594  -0.077  -1.762  14.107
  613   2HB   PRO 594          1HB       PRO 594   1.039  -2.136  15.429
  614   1HG   PRO 594          2HG       PRO 594  -0.066   0.517  14.594
  615   2HG   PRO 594          1HG       PRO 594   0.428  -0.035  16.205
  616   1HD   PRO 594          2HD       PRO 594   1.954   1.628  14.555
  617   2HD   PRO 594          1HD       PRO 594   2.589   0.670  15.909
  618    H    ASN 595           H        ASN 595   3.142  -2.109  11.565
  619    HA   ASN 595           HA       ASN 595   1.597  -0.607   9.636
  620   1HB   ASN 595          2HB       ASN 595   2.981  -3.148   8.816
  621   2HB   ASN 595          1HB       ASN 595   2.867  -1.618   7.960
  622   1HD2  ASN 595          2HD2      ASN 595   6.334  -1.853   9.275
  623   2HD2  ASN 595          1HD2      ASN 595   5.397  -2.717   8.152
  624    H    ARG 596           H        ARG 596   0.966  -2.630   7.674
  625    HA   ARG 596           HA       ARG 596  -1.207  -4.101   9.115
  626   1HB   ARG 596          2HB       ARG 596  -1.487  -3.059   6.301
  627   2HB   ARG 596          1HB       ARG 596  -2.757  -3.582   7.407
  628   1HG   ARG 596          2HG       ARG 596  -2.983  -1.321   7.727
  629   2HG   ARG 596          1HG       ARG 596  -1.687  -1.602   8.890
  630   1HD   ARG 596          2HD       ARG 596  -0.150  -1.250   6.754
  631   2HD   ARG 596          1HD       ARG 596  -1.556  -0.358   6.171
  632    HE   ARG 596           HE       ARG 596   0.288   0.723   7.961
  633   1HH1  ARG 596          1HH2      ARG 596  -3.068   0.516   7.382
  634   2HH1  ARG 596          2HH2      ARG 596  -3.511   1.560   8.691
  635   1HH2  ARG 596          2HH1      ARG 596  -0.275   1.853   9.901
  636   2HH2  ARG 596          1HH1      ARG 596  -1.930   2.317  10.117
  637    H    GLU 597           H        GLU 597  -0.827  -6.229   8.929
  638    HA   GLU 597           HA       GLU 597   0.870  -7.259   6.775
  639   1HB   GLU 597          2HB       GLU 597   0.640  -9.421   7.915
  640   2HB   GLU 597          1HB       GLU 597   1.064  -8.160   9.075
  641   1HG   GLU 597          2HG       GLU 597  -1.485  -7.902   9.418
  642   2HG   GLU 597          1HG       GLU 597  -1.608  -9.473   8.629
  643    H    TYR 598           H        TYR 598  -0.004  -9.429   5.758
  644    HA   TYR 598           HA       TYR 598  -2.873  -9.455   5.248
  645   1HB   TYR 598          2HB       TYR 598  -2.103  -7.656   3.736
  646   2HB   TYR 598          1HB       TYR 598  -0.993  -8.802   3.013
  647    HD1  TYR 598           HD2      TYR 598  -4.628  -8.722   3.986
  648    HD2  TYR 598           HD1      TYR 598  -1.671  -9.813   1.057
  649    HE1  TYR 598           HE2      TYR 598  -6.402  -9.642   2.533
  650    HE2  TYR 598           HE1      TYR 598  -3.450 -10.720  -0.389
  651    HH   TYR 598           HH       TYR 598  -6.014 -11.724   0.261
  652    H    THR 599           H        THR 599  -3.464 -11.544   4.806
  653    HA   THR 599           HA       THR 599  -1.260 -13.441   4.201
  654    HB   THR 599           HB       THR 599  -3.304 -15.082   4.716
  655    HG1  THR 599           HG1      THR 599  -3.858 -12.905   6.410
  656   1HG2  THR 599          3HG2      THR 599  -1.010 -14.442   5.915
  657   2HG2  THR 599          2HG2      THR 599  -2.119 -13.750   7.102
  658   3HG2  THR 599          1HG2      THR 599  -2.213 -15.465   6.702
  659    H    VAL 600           H        VAL 600  -1.032 -14.016   2.126
  660    HA   VAL 600           HA       VAL 600  -3.288 -13.657   0.251
  661    HB   VAL 600           HB       VAL 600  -0.386 -14.408  -0.168
  662   1HG1  VAL 600          2HG1      VAL 600  -2.699 -14.252  -2.099
  663   2HG1  VAL 600          1HG1      VAL 600  -1.021 -14.232  -2.616
  664   3HG1  VAL 600          3HG1      VAL 600  -1.679 -15.646  -1.792
  665   1HG2  VAL 600          3HG2      VAL 600  -1.425 -11.972   0.231
  666   2HG2  VAL 600          2HG2      VAL 600  -0.125 -12.248  -0.928
  667   3HG2  VAL 600          1HG2      VAL 600  -1.796 -12.134  -1.493
  668    HA   PRO 601           HA       PRO 601  -4.233 -18.009   0.681
  669   1HB   PRO 601          2HB       PRO 601  -6.302 -17.981  -1.135
  670   2HB   PRO 601          1HB       PRO 601  -6.468 -17.419   0.537
  671   1HG   PRO 601          2HG       PRO 601  -6.229 -15.813  -1.979
  672   2HG   PRO 601          1HG       PRO 601  -7.087 -15.425  -0.475
  673   1HD   PRO 601          2HD       PRO 601  -4.589 -14.375  -1.193
  674   2HD   PRO 601          1HD       PRO 601  -5.238 -14.420   0.456
  675    H    GLN 602           H        GLN 602  -5.225 -19.380  -1.662
  676    HA   GLN 602           HA       GLN 602  -2.822 -19.202  -3.435
  677   1HB   GLN 602          2HB       GLN 602  -4.549 -21.643  -2.933
  678   2HB   GLN 602          1HB       GLN 602  -3.017 -21.584  -3.808
  679   1HG   GLN 602          2HG       GLN 602  -2.023 -20.652  -1.608
  680   2HG   GLN 602          1HG       GLN 602  -3.500 -21.248  -0.849
  681   1HE2  GLN 602          2HE2      GLN 602  -0.977 -24.001  -0.721
  682   2HE2  GLN 602          1HE2      GLN 602  -1.069 -22.426  -0.093
  683    H    ALA 603           H        ALA 603  -3.698 -17.856  -5.049
  684    HA   ALA 603           HA       ALA 603  -5.379 -19.090  -7.012
  685   1HB   ALA 603          2HB       ALA 603  -6.689 -17.356  -4.965
  686   2HB   ALA 603          1HB       ALA 603  -7.225 -17.201  -6.638
  687   3HB   ALA 603          3HB       ALA 603  -7.327 -18.760  -5.820
  688    H    CYS 604           H        CYS 604  -5.631 -17.735  -8.897
  689    HA   CYS 604           HA       CYS 604  -4.204 -15.114  -8.767
  690   1HB   CYS 604          2HB       CYS 604  -3.031 -17.312  -9.871
  691   2HB   CYS 604          1HB       CYS 604  -3.890 -16.671 -11.272
  692    H    GLY 605           H        GLY 605  -4.582 -15.020 -11.795
  693   1HA   GLY 605          2HA       GLY 605  -6.179 -13.962 -13.169
  694   2HA   GLY 605          1HA       GLY 605  -7.225 -15.277 -12.628
  695    H    THR 606           H        THR 606  -8.728 -14.878 -10.965
  696    HA   THR 606           HA       THR 606  -9.300 -12.019 -10.485
  697    HB   THR 606           HB       THR 606 -11.107 -13.688 -11.090
  698    HG1  THR 606           HG1      THR 606 -12.456 -12.963  -9.244
  699   1HG2  THR 606          3HG2      THR 606  -9.879 -15.193  -9.087
  700   2HG2  THR 606          2HG2      THR 606 -11.392 -14.654  -8.357
  701   3HG2  THR 606          1HG2      THR 606 -11.416 -15.559  -9.871
  702    H    SER 607           H        SER 607  -6.924 -13.095  -9.270
  703    HA   SER 607           HA       SER 607  -7.500 -13.668  -6.465
  704   1HB   SER 607          2HB       SER 607  -4.925 -13.254  -6.337
  705   2HB   SER 607          1HB       SER 607  -5.514 -14.671  -7.201
  706    HG   SER 607           HG       SER 607  -3.919 -13.295  -8.311
  707    H    THR 608           H        THR 608  -8.567 -11.887  -5.568
  708    HA   THR 608           HA       THR 608  -7.154  -9.261  -5.743
  709    HB   THR 608           HB       THR 608  -9.446  -8.568  -4.577
  710    HG1  THR 608           HG1      THR 608 -11.101  -9.933  -5.477
  711   1HG2  THR 608          3HG2      THR 608  -8.465  -8.692  -7.270
  712   2HG2  THR 608          2HG2      THR 608 -10.202  -8.992  -7.284
  713   3HG2  THR 608          1HG2      THR 608  -9.567  -7.515  -6.558
  714    H    ALA 609           H        ALA 609  -6.818  -8.093  -3.710
  715    HA   ALA 609           HA       ALA 609  -7.125  -9.768  -1.276
  716   1HB   ALA 609          3HB       ALA 609  -4.589  -8.845  -2.499
  717   2HB   ALA 609          2HB       ALA 609  -4.723  -8.665  -0.755
  718   3HB   ALA 609          1HB       ALA 609  -4.911 -10.250  -1.493
  719    H    THR 610           H        THR 610  -6.612  -8.399   0.739
  720    HA   THR 610           HA       THR 610  -7.453  -5.571   0.268
  721    HB   THR 610           HB       THR 610  -8.386  -7.247   2.591
  722    HG1  THR 610           HG1      THR 610  -9.812  -8.118   1.333
  723   1HG2  THR 610          2HG2      THR 610  -8.710  -4.501   1.679
  724   2HG2  THR 610          1HG2      THR 610 -10.270  -5.303   1.866
  725   3HG2  THR 610          3HG2      THR 610  -9.151  -5.223   3.227
  726    H    VAL 611           H        VAL 611  -6.362  -4.077   1.397
  727    HA   VAL 611           HA       VAL 611  -5.033  -4.735   3.938
  728    HB   VAL 611           HB       VAL 611  -3.521  -3.809   1.479
  729   1HG1  VAL 611          2HG1      VAL 611  -2.782  -3.638   4.414
  730   2HG1  VAL 611          1HG1      VAL 611  -1.603  -3.515   3.108
  731   3HG1  VAL 611          3HG1      VAL 611  -2.881  -2.310   3.261
  732   1HG2  VAL 611          1HG2      VAL 611  -3.737  -6.265   1.942
  733   2HG2  VAL 611          3HG2      VAL 611  -2.071  -5.694   2.029
  734   3HG2  VAL 611          2HG2      VAL 611  -2.978  -5.999   3.510
  735    H    THR 612           H        THR 612  -6.178  -3.211   5.066
  736    HA   THR 612           HA       THR 612  -6.887  -0.644   3.881
  737    HB   THR 612           HB       THR 612  -7.160  -0.858   6.789
  738    HG1  THR 612           HG1      THR 612  -8.621  -2.681   5.210
  739   1HG2  THR 612          1HG2      THR 612  -8.481   0.265   4.538
  740   2HG2  THR 612          3HG2      THR 612  -9.614  -0.854   5.297
  741   3HG2  THR 612          2HG2      THR 612  -8.900   0.454   6.241
  742    H    ASP 613           H        ASP 613  -5.171   0.624   3.486
  743    HA   ASP 613           HA       ASP 613  -3.194   1.173   5.635
  744   1HB   ASP 613          2HB       ASP 613  -3.392   1.815   2.700
  745   2HB   ASP 613          1HB       ASP 613  -2.329   2.758   3.746
  746    H    THR 614           H        THR 614  -3.288   3.145   6.759
  747    HA   THR 614           HA       THR 614  -5.571   4.910   5.969
  748    HB   THR 614           HB       THR 614  -4.428   4.430   8.733
  749    HG1  THR 614           HG1      THR 614  -5.945   2.891   7.669
  750   1HG2  THR 614          1HG2      THR 614  -5.757   6.683   7.576
  751   2HG2  THR 614          3HG2      THR 614  -6.867   5.907   8.711
  752   3HG2  THR 614          2HG2      THR 614  -5.277   6.442   9.261
  753    H    TRP 615           H        TRP 615  -5.179   7.106   5.771
  754    HA   TRP 615           HA       TRP 615  -2.336   7.898   6.195
  755   1HB   TRP 615          2HB       TRP 615  -2.740   7.959   3.890
  756   2HB   TRP 615          1HB       TRP 615  -4.328   8.681   4.107
  757    HD1  TRP 615           HD1      TRP 615  -4.358  11.291   4.797
  758    HE1  TRP 615           HE1      TRP 615  -2.592  13.143   4.367
  759    HE3  TRP 615           HE3      TRP 615  -0.399   8.369   3.664
  760    HZ2  TRP 615           HZ2      TRP 615   0.188  13.311   3.620
  761    HZ3  TRP 615           HZ3      TRP 615   1.806   9.352   3.099
  762    HH2  TRP 615           HH2      TRP 615   2.091  11.827   3.060
  763    H    ARG 616           H        ARG 616  -5.631   9.239   6.070
  764    HA   ARG 616           HA       ARG 616  -4.935  11.666   7.458
  765   1HB   ARG 616          2HB       ARG 616  -6.920  11.616   6.070
  766   2HB   ARG 616          1HB       ARG 616  -7.599  10.289   7.014
  767   1HG   ARG 616          2HG       ARG 616  -7.445  11.863   9.038
  768   2HG   ARG 616          1HG       ARG 616  -7.174  13.156   7.868
  769   1HD   ARG 616          2HD       ARG 616  -9.327  13.086   7.088
  770   2HD   ARG 616          1HD       ARG 616  -9.462  11.342   7.314
  771    HE   ARG 616           HE       ARG 616  -9.807  11.806   9.751
  772   1HH1  ARG 616          1HH2      ARG 616  -9.154  14.374  10.490
  773   2HH1  ARG 616          2HH2      ARG 616 -10.544  15.360  10.180
  774   1HH2  ARG 616          1HH1      ARG 616 -12.018  13.068   8.035
  775   2HH2  ARG 616          2HH1      ARG 616 -12.165  14.620   8.789
   
  No H/Q in entry =         775
  Start of MODEL    5
    1   1H    CYS 509          1H        CYS 509  -4.799 -19.896 -16.094
    2   2H    CYS 509          3H        CYS 509  -6.475 -19.819 -15.847
    3   3H    CYS 509          2H        CYS 509  -5.781 -19.051 -17.194
    4    HA   CYS 509           HA       CYS 509  -5.962 -17.232 -15.893
    5   1HB   CYS 509          2HB       CYS 509  -6.106 -17.300 -13.485
    6   2HB   CYS 509          1HB       CYS 509  -7.090 -18.626 -14.106
    7    H    THR 510           H        THR 510  -4.334 -16.188 -14.071
    8    HA   THR 510           HA       THR 510  -1.682 -16.492 -15.270
    9    HB   THR 510           HB       THR 510  -1.835 -14.911 -12.805
   10    HG1  THR 510           HG1      THR 510  -3.326 -13.466 -13.519
   11   1HG2  THR 510          2HG2      THR 510  -0.664 -14.844 -15.461
   12   2HG2  THR 510          1HG2      THR 510  -1.372 -13.285 -15.041
   13   3HG2  THR 510          3HG2      THR 510  -0.150 -14.009 -13.996
   14    H    THR 511           H        THR 511   0.143 -16.334 -13.307
   15    HA   THR 511           HA       THR 511   0.521 -18.906 -12.337
   16    HB   THR 511           HB       THR 511   2.194 -17.033 -12.176
   17    HG1  THR 511           HG1      THR 511   2.730 -18.792 -11.016
   18   1HG2  THR 511          3HG2      THR 511   0.183 -15.698 -10.893
   19   2HG2  THR 511          2HG2      THR 511   1.182 -16.217  -9.535
   20   3HG2  THR 511          1HG2      THR 511   1.885 -15.240 -10.824
   21    HA   PRO 512           HA       PRO 512  -2.617 -19.360  -9.274
   22   1HB   PRO 512          2HB       PRO 512  -1.580 -21.590  -8.042
   23   2HB   PRO 512          1HB       PRO 512  -2.421 -21.634  -9.601
   24   1HG   PRO 512          2HG       PRO 512   0.499 -21.865  -9.036
   25   2HG   PRO 512          1HG       PRO 512  -0.435 -22.511 -10.395
   26   1HD   PRO 512          2HD       PRO 512   1.199 -20.204 -10.464
   27   2HD   PRO 512          1HD       PRO 512  -0.005 -20.665 -11.686
   28    H    THR 513           H        THR 513   0.799 -19.220  -8.428
   29    HA   THR 513           HA       THR 513   0.183 -18.656  -5.594
   30    HB   THR 513           HB       THR 513   2.587 -18.700  -5.262
   31    HG1  THR 513           HG1      THR 513   3.949 -18.913  -7.074
   32   1HG2  THR 513          3HG2      THR 513   1.174 -20.828  -6.712
   33   2HG2  THR 513          2HG2      THR 513   2.930 -20.929  -6.845
   34   3HG2  THR 513          1HG2      THR 513   2.166 -20.925  -5.256
   35    H    ALA 514           H        ALA 514  -0.881 -16.678  -7.338
   36    HA   ALA 514           HA       ALA 514   0.859 -14.379  -6.570
   37   1HB   ALA 514          1HB       ALA 514  -0.424 -14.913  -9.238
   38   2HB   ALA 514          3HB       ALA 514  -0.073 -13.262  -8.717
   39   3HB   ALA 514          2HB       ALA 514   1.236 -14.432  -8.888
   40    H    VAL 515           H        VAL 515  -0.225 -12.883  -5.396
   41    HA   VAL 515           HA       VAL 515  -3.182 -12.846  -5.654
   42    HB   VAL 515           HB       VAL 515  -1.537 -12.754  -3.182
   43   1HG1  VAL 515          3HG1      VAL 515  -4.132 -11.474  -3.814
   44   2HG1  VAL 515          2HG1      VAL 515  -4.140 -12.486  -2.364
   45   3HG1  VAL 515          1HG1      VAL 515  -3.000 -11.146  -2.496
   46   1HG2  VAL 515          2HG2      VAL 515  -3.634 -14.506  -4.427
   47   2HG2  VAL 515          1HG2      VAL 515  -2.135 -14.976  -3.627
   48   3HG2  VAL 515          3HG2      VAL 515  -3.517 -14.445  -2.673
   49    H    ALA 516           H        ALA 516  -3.756 -10.894  -6.542
   50    HA   ALA 516           HA       ALA 516  -1.977  -8.581  -6.289
   51   1HB   ALA 516          1HB       ALA 516  -4.766  -8.840  -7.456
   52   2HB   ALA 516          3HB       ALA 516  -3.762  -7.393  -7.554
   53   3HB   ALA 516          2HB       ALA 516  -3.252  -8.878  -8.359
   54    H    VAL 517           H        VAL 517  -2.049  -7.193  -4.609
   55    HA   VAL 517           HA       VAL 517  -4.475  -7.273  -2.851
   56    HB   VAL 517           HB       VAL 517  -1.813  -6.151  -2.014
   57   1HG1  VAL 517          2HG1      VAL 517  -4.357  -6.677  -0.799
   58   2HG1  VAL 517          1HG1      VAL 517  -3.139  -7.707  -0.035
   59   3HG1  VAL 517          3HG1      VAL 517  -2.919  -5.955  -0.078
   60   1HG2  VAL 517          2HG2      VAL 517  -2.614  -9.035  -2.348
   61   2HG2  VAL 517          1HG2      VAL 517  -1.085  -8.263  -2.748
   62   3HG2  VAL 517          3HG2      VAL 517  -1.506  -8.570  -1.063
   63    H    THR 518           H        THR 518  -5.775  -5.513  -2.953
   64    HA   THR 518           HA       THR 518  -4.746  -3.026  -4.158
   65    HB   THR 518           HB       THR 518  -7.302  -2.450  -3.366
   66    HG1  THR 518           HG1      THR 518  -8.444  -4.220  -3.235
   67   1HG2  THR 518          1HG2      THR 518  -6.240  -2.258  -5.634
   68   2HG2  THR 518          3HG2      THR 518  -6.566  -3.974  -5.876
   69   3HG2  THR 518          2HG2      THR 518  -7.904  -2.844  -5.674
   70    H    PHE 519           H        PHE 519  -4.693  -0.982  -3.059
   71    HA   PHE 519           HA       PHE 519  -4.703  -1.274  -0.093
   72   1HB   PHE 519          2HB       PHE 519  -3.142   0.662  -1.826
   73   2HB   PHE 519          1HB       PHE 519  -2.951   0.394  -0.096
   74    HD1  PHE 519           HD1      PHE 519  -2.456  -2.029   0.671
   75    HD2  PHE 519           HD2      PHE 519  -1.897  -0.645  -3.349
   76    HE1  PHE 519           HE1      PHE 519  -0.956  -3.959   0.220
   77    HE2  PHE 519           HE2      PHE 519  -0.386  -2.557  -3.795
   78    HZ   PHE 519           HZ       PHE 519   0.087  -4.214  -2.015
   79    H    ASP 520           H        ASP 520  -5.545   0.628   1.081
   80    HA   ASP 520           HA       ASP 520  -7.035   2.551  -0.612
   81   1HB   ASP 520          2HB       ASP 520  -9.023   1.996   1.096
   82   2HB   ASP 520          1HB       ASP 520  -8.838   1.142  -0.439
   83    H    LEU 521           H        LEU 521  -6.423   4.482   0.150
   84    HA   LEU 521           HA       LEU 521  -5.814   4.800   3.043
   85   1HB   LEU 521          2HB       LEU 521  -5.209   6.454   0.785
   86   2HB   LEU 521          1HB       LEU 521  -5.912   7.388   2.059
   87    HG   LEU 521           HG       LEU 521  -4.164   7.125   3.394
   88   1HD1  LEU 521          1HD1      LEU 521  -4.082   4.364   2.560
   89   2HD1  LEU 521          3HD1      LEU 521  -2.495   5.082   2.889
   90   3HD1  LEU 521          2HD1      LEU 521  -3.755   5.133   4.129
   91   1HD2  LEU 521          1HD2      LEU 521  -3.115   6.764   0.628
   92   2HD2  LEU 521          3HD2      LEU 521  -3.137   8.210   1.642
   93   3HD2  LEU 521          2HD2      LEU 521  -2.008   6.897   1.996
   94    H    THR 522           H        THR 522  -7.127   5.332   4.537
   95    HA   THR 522           HA       THR 522  -9.590   6.796   3.768
   96    HB   THR 522           HB       THR 522  -9.707   6.552   6.497
   97    HG1  THR 522           HG1      THR 522  -8.505   4.221   5.422
   98   1HG2  THR 522          2HG2      THR 522 -11.224   5.947   4.405
   99   2HG2  THR 522          1HG2      THR 522 -10.711   4.305   4.817
  100   3HG2  THR 522          3HG2      THR 522 -11.563   5.289   6.011
  101    H    ALA 523           H        ALA 523  -8.395   8.650   3.159
  102    HA   ALA 523           HA       ALA 523  -7.577  10.324   5.461
  103   1HB   ALA 523          3HB       ALA 523  -5.769   9.154   3.408
  104   2HB   ALA 523          2HB       ALA 523  -5.533  10.870   3.766
  105   3HB   ALA 523          1HB       ALA 523  -5.423   9.677   5.061
  106    H    THR 524           H        THR 524  -8.818  12.127   5.101
  107    HA   THR 524           HA       THR 524  -9.412  12.933   2.331
  108    HB   THR 524           HB       THR 524 -11.253  13.047   3.925
  109    HG1  THR 524           HG1      THR 524 -11.465  15.481   3.861
  110   1HG2  THR 524          2HG2      THR 524  -9.088  14.060   5.527
  111   2HG2  THR 524          1HG2      THR 524 -10.472  15.159   5.599
  112   3HG2  THR 524          3HG2      THR 524 -10.668  13.463   6.054
  113    H    THR 525           H        THR 525  -6.730  13.118   3.154
  114    HA   THR 525           HA       THR 525  -5.914  15.679   4.086
  115    HB   THR 525           HB       THR 525  -4.461  13.604   3.761
  116    HG1  THR 525           HG1      THR 525  -3.812  15.959   4.000
  117   1HG2  THR 525          2HG2      THR 525  -5.161  13.185   1.414
  118   2HG2  THR 525          1HG2      THR 525  -4.352  14.676   0.929
  119   3HG2  THR 525          3HG2      THR 525  -3.410  13.330   1.570
  120    H    THR 526           H        THR 526  -4.380  16.962   2.284
  121    HA   THR 526           HA       THR 526  -6.368  17.844   0.245
  122    HB   THR 526           HB       THR 526  -5.396  19.501   1.917
  123    HG1  THR 526           HG1      THR 526  -4.768  20.955   0.060
  124   1HG2  THR 526          3HG2      THR 526  -3.020  18.309   1.311
  125   2HG2  THR 526          2HG2      THR 526  -2.955  19.729   0.267
  126   3HG2  THR 526          1HG2      THR 526  -3.160  19.923   2.008
  127    H    TYR 527           H        TYR 527  -5.055  18.851  -1.763
  128    HA   TYR 527           HA       TYR 527  -3.557  16.573  -2.879
  129   1HB   TYR 527          2HB       TYR 527  -5.333  17.858  -4.163
  130   2HB   TYR 527          1HB       TYR 527  -4.204  19.213  -4.219
  131    HD1  TYR 527           HD2      TYR 527  -4.441  15.558  -5.006
  132    HD2  TYR 527           HD1      TYR 527  -2.589  19.325  -5.917
  133    HE1  TYR 527           HE2      TYR 527  -3.291  14.524  -6.944
  134    HE2  TYR 527           HE1      TYR 527  -1.439  18.291  -7.855
  135    HH   TYR 527           HH       TYR 527  -2.289  15.221  -9.071
  136    H    GLY 528           H        GLY 528  -1.507  17.092  -4.143
  137   1HA   GLY 528          2HA       GLY 528   0.342  18.803  -4.368
  138   2HA   GLY 528          1HA       GLY 528   0.108  19.122  -2.648
  139    H    GLU 529           H        GLU 529  -0.413  15.970  -2.680
  140    HA   GLU 529           HA       GLU 529   2.415  15.098  -2.863
  141   1HB   GLU 529          2HB       GLU 529   2.343  14.118  -0.599
  142   2HB   GLU 529          1HB       GLU 529   2.120  15.867  -0.532
  143   1HG   GLU 529          2HG       GLU 529  -0.385  15.433  -0.553
  144   2HG   GLU 529          1HG       GLU 529  -0.008  13.728  -0.304
  145    H    ASN 530           H        ASN 530   2.259  12.572  -1.935
  146    HA   ASN 530           HA       ASN 530  -0.226  11.271  -2.930
  147   1HB   ASN 530          2HB       ASN 530   1.759  11.669  -4.771
  148   2HB   ASN 530          1HB       ASN 530   2.323  10.186  -4.029
  149   1HD2  ASN 530          2HD2      ASN 530  -0.943  10.079  -6.442
  150   2HD2  ASN 530          1HD2      ASN 530  -0.199  11.557  -6.062
  151    H    ILE 531           H        ILE 531  -0.421   9.230  -1.976
  152    HA   ILE 531           HA       ILE 531   1.663   8.633   0.037
  153    HB   ILE 531           HB       ILE 531  -1.116   7.503  -0.356
  154   1HG1  ILE 531          2HG1      ILE 531  -1.256   8.600   2.009
  155   2HG1  ILE 531          1HG1      ILE 531   0.160   9.508   1.483
  156   1HG2  ILE 531          3HG2      ILE 531   1.184   6.406   0.932
  157   2HG2  ILE 531          2HG2      ILE 531   0.030   6.889   2.182
  158   3HG2  ILE 531          1HG2      ILE 531  -0.461   5.769   0.909
  159   1HD1  ILE 531          3HD1      ILE 531  -1.689   9.510  -0.659
  160   2HD1  ILE 531          2HD1      ILE 531  -2.580   9.941   0.801
  161   3HD1  ILE 531          1HD1      ILE 531  -1.166  10.879   0.320
  162    H    TYR 532           H        TYR 532   3.272   7.416  -0.776
  163    HA   TYR 532           HA       TYR 532   2.701   5.433  -2.838
  164   1HB   TYR 532          2HB       TYR 532   5.231   6.153  -1.389
  165   2HB   TYR 532          1HB       TYR 532   5.137   4.819  -2.509
  166    HD1  TYR 532           HD1      TYR 532   3.644   8.245  -2.570
  167    HD2  TYR 532           HD2      TYR 532   6.208   5.395  -4.498
  168    HE1  TYR 532           HE1      TYR 532   4.026   9.840  -4.440
  169    HE2  TYR 532           HE2      TYR 532   6.579   6.979  -6.364
  170    HH   TYR 532           HH       TYR 532   6.470   9.421  -6.749
  171    H    LEU 533           H        LEU 533   4.100   3.237  -2.202
  172    HA   LEU 533           HA       LEU 533   3.428   2.403   0.545
  173   1HB   LEU 533          2HB       LEU 533   1.328   1.860  -0.336
  174   2HB   LEU 533          1HB       LEU 533   1.991   1.451  -1.914
  175    HG   LEU 533           HG       LEU 533   3.003  -0.584  -0.995
  176   1HD1  LEU 533          1HD1      LEU 533   3.213   0.501   1.343
  177   2HD1  LEU 533          3HD1      LEU 533   1.553  -0.041   1.592
  178   3HD1  LEU 533          2HD1      LEU 533   2.827  -1.218   1.268
  179   1HD2  LEU 533          2HD2      LEU 533   0.657  -0.621  -1.842
  180   2HD2  LEU 533          1HD2      LEU 533   0.936  -1.824  -0.582
  181   3HD2  LEU 533          3HD2      LEU 533   0.087  -0.327  -0.200
  182    H    VAL 534           H        VAL 534   5.181   1.294   1.204
  183    HA   VAL 534           HA       VAL 534   6.609  -0.367  -0.830
  184    HB   VAL 534           HB       VAL 534   8.094   1.301   0.056
  185   1HG1  VAL 534          2HG1      VAL 534   6.591   1.011   2.403
  186   2HG1  VAL 534          1HG1      VAL 534   8.266   0.589   2.781
  187   3HG1  VAL 534          3HG1      VAL 534   7.891   2.159   2.066
  188   1HG2  VAL 534          3HG2      VAL 534   9.050  -0.940  -0.158
  189   2HG2  VAL 534          2HG2      VAL 534   9.819   0.046   1.068
  190   3HG2  VAL 534          1HG2      VAL 534   8.687  -1.222   1.541
  191    H    GLY 535           H        GLY 535   7.652  -2.422   0.543
  192   1HA   GLY 535          2HA       GLY 535   5.595  -3.234   2.550
  193   2HA   GLY 535          1HA       GLY 535   5.651  -4.161   1.063
  194    H    SER 536           H        SER 536   5.914  -5.774   2.940
  195    HA   SER 536           HA       SER 536   8.640  -6.005   3.997
  196   1HB   SER 536          2HB       SER 536   7.805  -7.781   5.346
  197   2HB   SER 536          1HB       SER 536   6.538  -6.560   5.324
  198    HG   SER 536           HG       SER 536   5.910  -7.906   3.310
  199    H    ILE 537           H        ILE 537   8.150  -6.307   1.081
  200    HA   ILE 537           HA       ILE 537   9.671  -8.794   0.773
  201    HB   ILE 537           HB       ILE 537   8.052  -9.680  -0.949
  202   1HG1  ILE 537          2HG1      ILE 537   6.230  -7.604   0.312
  203   2HG1  ILE 537          1HG1      ILE 537   6.853  -7.547  -1.337
  204   1HG2  ILE 537          3HG2      ILE 537   8.175 -10.262   1.618
  205   2HG2  ILE 537          2HG2      ILE 537   6.617  -9.434   1.682
  206   3HG2  ILE 537          1HG2      ILE 537   6.821 -10.855   0.654
  207   1HD1  ILE 537          2HD1      ILE 537   5.734 -10.123  -1.009
  208   2HD1  ILE 537          1HD1      ILE 537   4.570  -8.991  -0.319
  209   3HD1  ILE 537          3HD1      ILE 537   5.100  -8.802  -1.991
  210    H    SER 538           H        SER 538  10.668  -8.893  -1.366
  211    HA   SER 538           HA       SER 538  11.543  -6.424  -2.354
  212   1HB   SER 538          2HB       SER 538  11.692  -7.902  -4.606
  213   2HB   SER 538          1HB       SER 538  12.855  -8.021  -3.289
  214    HG   SER 538           HG       SER 538  11.821 -10.042  -4.061
  215    H    GLN 539           H        GLN 539   8.549  -8.112  -3.044
  216    HA   GLN 539           HA       GLN 539   7.802  -7.000  -5.485
  217   1HB   GLN 539          2HB       GLN 539   6.329  -7.847  -3.078
  218   2HB   GLN 539          1HB       GLN 539   5.440  -6.897  -4.255
  219   1HG   GLN 539          2HG       GLN 539   5.106  -9.103  -5.001
  220   2HG   GLN 539          1HG       GLN 539   6.460  -8.555  -5.991
  221   1HE2  GLN 539          2HE2      GLN 539   8.796 -10.777  -4.507
  222   2HE2  GLN 539          1HE2      GLN 539   8.588  -9.441  -5.533
  223    H    LEU 540           H        LEU 540   7.555  -5.518  -2.273
  224    HA   LEU 540           HA       LEU 540   6.722  -2.966  -3.498
  225   1HB   LEU 540          2HB       LEU 540   6.989  -3.884  -0.606
  226   2HB   LEU 540          1HB       LEU 540   6.793  -2.182  -1.072
  227    HG   LEU 540           HG       LEU 540   4.594  -2.945  -0.655
  228   1HD1  LEU 540          2HD1      LEU 540   4.976  -1.784  -2.893
  229   2HD1  LEU 540          1HD1      LEU 540   4.858  -3.381  -3.631
  230   3HD1  LEU 540          3HD1      LEU 540   3.484  -2.714  -2.751
  231   1HD2  LEU 540          1HD2      LEU 540   5.380  -5.398  -0.750
  232   2HD2  LEU 540          3HD2      LEU 540   3.729  -5.058  -1.268
  233   3HD2  LEU 540          2HD2      LEU 540   4.994  -5.318  -2.470
  234    H    GLY 541           H        GLY 541   9.322  -4.017  -4.027
  235   1HA   GLY 541          2HA       GLY 541  11.479  -3.092  -4.278
  236   2HA   GLY 541          1HA       GLY 541  10.902  -1.663  -3.421
  237    H    ASP 542           H        ASP 542  10.342  -4.637  -1.842
  238    HA   ASP 542           HA       ASP 542  11.484  -5.737  -0.093
  239   1HB   ASP 542          2HB       ASP 542  13.675  -3.694  -0.243
  240   2HB   ASP 542          1HB       ASP 542  13.768  -5.361   0.324
  241    H    TRP 543           H        TRP 543  12.326  -2.370   0.227
  242    HA   TRP 543           HA       TRP 543  10.406  -1.683   2.166
  243   1HB   TRP 543          2HB       TRP 543  12.980  -2.793   3.213
  244   2HB   TRP 543          1HB       TRP 543  12.294  -1.385   4.035
  245    HD1  TRP 543           HD1      TRP 543  12.257  -4.801   4.649
  246    HE1  TRP 543           HE1      TRP 543   9.984  -5.701   5.468
  247    HE3  TRP 543           HE3      TRP 543   9.243  -0.888   3.373
  248    HZ2  TRP 543           HZ2      TRP 543   7.243  -4.871   5.504
  249    HZ3  TRP 543           HZ3      TRP 543   6.809  -0.972   3.816
  250    HH2  TRP 543           HH2      TRP 543   5.818  -2.968   4.900
  251    H    GLU 544           H        GLU 544  11.432  -0.616  -0.164
  252    HA   GLU 544           HA       GLU 544  12.826   1.809   0.910
  253   1HB   GLU 544          2HB       GLU 544  13.146   0.306  -1.655
  254   2HB   GLU 544          1HB       GLU 544  13.326   2.063  -1.687
  255   1HG   GLU 544          2HG       GLU 544  15.009   1.918   0.118
  256   2HG   GLU 544          1HG       GLU 544  14.844   0.162   0.123
  257    H    THR 545           H        THR 545  11.668   3.654   0.708
  258    HA   THR 545           HA       THR 545   8.969   3.426  -0.305
  259    HB   THR 545           HB       THR 545   9.168   4.956   1.491
  260    HG1  THR 545           HG1      THR 545   8.483   5.887  -0.859
  261   1HG2  THR 545          3HG2      THR 545  11.615   5.939   0.032
  262   2HG2  THR 545          2HG2      THR 545  10.868   6.871   1.329
  263   3HG2  THR 545          1HG2      THR 545  11.505   5.262   1.656
  264    H    SER 546           H        SER 546  12.063   4.482  -1.547
  265    HA   SER 546           HA       SER 546  10.983   5.914  -3.815
  266   1HB   SER 546          2HB       SER 546  13.516   5.412  -4.500
  267   2HB   SER 546          1HB       SER 546  13.108   6.693  -3.373
  268    HG   SER 546           HG       SER 546  14.010   4.058  -2.861
  269    H    ASP 547           H        ASP 547  11.343   2.712  -2.952
  270    HA   ASP 547           HA       ASP 547  11.171   1.850  -5.791
  271   1HB   ASP 547          2HB       ASP 547  12.524   0.626  -3.429
  272   2HB   ASP 547          1HB       ASP 547  11.811  -0.456  -4.621
  273    H    GLY 548           H        GLY 548   9.501   2.307  -2.973
  274   1HA   GLY 548          2HA       GLY 548   7.744   0.033  -2.922
  275   2HA   GLY 548          1HA       GLY 548   7.368   1.626  -2.240
  276    H    ILE 549           H        ILE 549   5.425   2.266  -3.205
  277    HA   ILE 549           HA       ILE 549   5.481   2.652  -6.104
  278    HB   ILE 549           HB       ILE 549   3.480   0.738  -4.864
  279   1HG1  ILE 549          2HG1      ILE 549   5.653   0.400  -6.957
  280   2HG1  ILE 549          1HG1      ILE 549   5.622  -0.324  -5.348
  281   1HG2  ILE 549          1HG2      ILE 549   2.637   2.415  -6.639
  282   2HG2  ILE 549          3HG2      ILE 549   3.660   1.532  -7.772
  283   3HG2  ILE 549          2HG2      ILE 549   2.344   0.703  -6.942
  284   1HD1  ILE 549          3HD1      ILE 549   3.190  -0.879  -6.880
  285   2HD1  ILE 549          2HD1      ILE 549   4.643  -1.500  -7.663
  286   3HD1  ILE 549          1HD1      ILE 549   4.250  -1.992  -6.015
  287    H    ALA 550           H        ALA 550   4.536   4.564  -6.483
  288    HA   ALA 550           HA       ALA 550   3.103   6.018  -4.490
  289   1HB   ALA 550          1HB       ALA 550   4.192   6.652  -6.922
  290   2HB   ALA 550          3HB       ALA 550   2.459   6.741  -7.248
  291   3HB   ALA 550          2HB       ALA 550   3.162   7.716  -5.958
  292    H    LEU 551           H        LEU 551   0.874   6.369  -4.240
  293    HA   LEU 551           HA       LEU 551  -0.752   4.267  -5.540
  294   1HB   LEU 551          2HB       LEU 551  -1.037   5.754  -2.945
  295   2HB   LEU 551          1HB       LEU 551  -2.411   4.944  -3.654
  296    HG   LEU 551           HG       LEU 551  -0.813   2.890  -3.813
  297   1HD1  LEU 551          3HD1      LEU 551   1.059   4.545  -3.015
  298   2HD1  LEU 551          2HD1      LEU 551   0.415   4.191  -1.412
  299   3HD1  LEU 551          1HD1      LEU 551   1.043   2.888  -2.420
  300   1HD2  LEU 551          1HD2      LEU 551  -1.998   3.966  -1.235
  301   2HD2  LEU 551          3HD2      LEU 551  -2.792   2.904  -2.402
  302   3HD2  LEU 551          2HD2      LEU 551  -1.440   2.303  -1.436
  303    H    SER 552           H        SER 552  -3.269   5.226  -5.213
  304    HA   SER 552           HA       SER 552  -3.325   7.903  -6.474
  305   1HB   SER 552          2HB       SER 552  -3.370   6.126  -8.189
  306   2HB   SER 552          1HB       SER 552  -4.908   5.619  -7.547
  307    HG   SER 552           HG       SER 552  -5.081   7.119  -9.302
  308    H    ALA 553           H        ALA 553  -6.029   8.095  -6.895
  309    HA   ALA 553           HA       ALA 553  -7.287   7.339  -4.335
  310   1HB   ALA 553          3HB       ALA 553  -6.112   9.870  -4.905
  311   2HB   ALA 553          2HB       ALA 553  -7.867  10.088  -4.895
  312   3HB   ALA 553          1HB       ALA 553  -7.051   9.407  -3.486
  313    H    ASP 554           H        ASP 554  -8.064   6.096  -6.497
  314    HA   ASP 554           HA       ASP 554  -9.862   7.442  -8.245
  315   1HB   ASP 554          2HB       ASP 554 -10.182   5.358  -9.135
  316   2HB   ASP 554          1HB       ASP 554  -8.702   5.051  -8.266
  317    H    LYS 555           H        LYS 555 -10.177   6.509  -4.965
  318    HA   LYS 555           HA       LYS 555 -13.098   7.136  -5.087
  319   1HB   LYS 555          2HB       LYS 555 -12.183   4.617  -4.596
  320   2HB   LYS 555          1HB       LYS 555 -12.193   5.277  -2.960
  321   1HG   LYS 555          2HG       LYS 555 -14.403   4.836  -2.913
  322   2HG   LYS 555          1HG       LYS 555 -14.602   6.156  -4.067
  323   1HD   LYS 555          2HD       LYS 555 -14.393   4.627  -5.939
  324   2HD   LYS 555          1HD       LYS 555 -14.002   3.292  -4.855
  325   1HE   LYS 555          2HE       LYS 555 -16.583   4.811  -4.538
  326   2HE   LYS 555          1HE       LYS 555 -16.451   3.504  -5.714
  327   1HZ   LYS 555          2HZ       LYS 555 -15.368   2.846  -3.135
  328   2HZ   LYS 555          1HZ       LYS 555 -17.031   3.195  -3.092
  329   3HZ   LYS 555          3HZ       LYS 555 -16.448   1.973  -4.113
  330    H    TYR 556           H        TYR 556 -10.960   8.947  -4.534
  331    HA   TYR 556           HA       TYR 556 -11.511   9.537  -1.673
  332   1HB   TYR 556          2HB       TYR 556  -9.298   8.568  -1.732
  333   2HB   TYR 556          1HB       TYR 556  -8.886   9.501  -3.147
  334    HD1  TYR 556           HD2      TYR 556 -10.764  11.478  -0.799
  335    HD2  TYR 556           HD1      TYR 556  -6.834   9.974  -1.682
  336    HE1  TYR 556           HE2      TYR 556  -9.779  13.223   0.634
  337    HE2  TYR 556           HE1      TYR 556  -5.844  11.753  -0.279
  338    HH   TYR 556           HH       TYR 556  -6.548  14.071   0.452
  339    H    THR 557           H        THR 557 -12.718  11.361  -1.805
  340    HA   THR 557           HA       THR 557 -11.505  13.741  -2.948
  341    HB   THR 557           HB       THR 557 -12.408  12.882  -5.014
  342    HG1  THR 557           HG1      THR 557 -14.136  14.820  -3.872
  343   1HG2  THR 557          2HG2      THR 557 -14.060  11.367  -3.719
  344   2HG2  THR 557          1HG2      THR 557 -15.149  12.753  -3.768
  345   3HG2  THR 557          3HG2      THR 557 -14.587  12.021  -5.271
  346    H    SER 558           H        SER 558 -14.692  12.428  -1.953
  347    HA   SER 558           HA       SER 558 -15.244  14.993  -0.571
  348   1HB   SER 558          2HB       SER 558 -16.897  13.635  -2.095
  349   2HB   SER 558          1HB       SER 558 -17.150  12.673  -0.641
  350    HG   SER 558           HG       SER 558 -18.574  14.519  -0.889
  351    H    SER 559           H        SER 559 -17.130  13.331   1.232
  352    HA   SER 559           HA       SER 559 -15.366  13.230   3.505
  353   1HB   SER 559          2HB       SER 559 -18.045  11.857   3.372
  354   2HB   SER 559          1HB       SER 559 -17.272  12.622   4.756
  355    HG   SER 559           HG       SER 559 -18.696  13.728   2.644
  356    H    ASP 560           H        ASP 560 -15.653  11.111   0.953
  357    HA   ASP 560           HA       ASP 560 -14.809   8.806   2.663
  358   1HB   ASP 560          2HB       ASP 560 -16.143   8.764  -0.065
  359   2HB   ASP 560          1HB       ASP 560 -15.630   7.341   0.843
  360    HA   PRO 561           HA       PRO 561 -11.224   9.948   0.094
  361   1HB   PRO 561          2HB       PRO 561  -9.448   9.887   2.185
  362   2HB   PRO 561          1HB       PRO 561 -10.360  11.333   1.708
  363   1HG   PRO 561          2HG       PRO 561 -10.672   9.648   4.092
  364   2HG   PRO 561          1HG       PRO 561 -11.318  11.262   3.761
  365   1HD   PRO 561          2HD       PRO 561 -12.714   8.716   3.601
  366   2HD   PRO 561          1HD       PRO 561 -13.375  10.350   3.333
  367    H    LEU 562           H        LEU 562 -10.742   8.029  -0.979
  368    HA   LEU 562           HA       LEU 562  -9.465   5.906   0.642
  369   1HB   LEU 562          2HB       LEU 562 -11.777   5.759  -1.190
  370   2HB   LEU 562          1HB       LEU 562 -10.543   4.555  -1.502
  371    HG   LEU 562           HG       LEU 562 -12.550   4.637   0.592
  372   1HD1  LEU 562          1HD1      LEU 562 -10.987   2.806  -1.001
  373   2HD1  LEU 562          3HD1      LEU 562 -11.010   2.279   0.685
  374   3HD1  LEU 562          2HD1      LEU 562 -12.526   2.533  -0.179
  375   1HD2  LEU 562          3HD2      LEU 562  -9.660   4.271   1.469
  376   2HD2  LEU 562          2HD2      LEU 562 -10.808   5.477   2.081
  377   3HD2  LEU 562          1HD2      LEU 562 -11.062   3.762   2.415
  378    H    TRP 563           H        TRP 563  -7.346   5.907   0.018
  379    HA   TRP 563           HA       TRP 563  -6.608   6.724  -2.684
  380   1HB   TRP 563          2HB       TRP 563  -5.044   5.569  -0.443
  381   2HB   TRP 563          1HB       TRP 563  -4.391   5.587  -2.040
  382    HD1  TRP 563           HD1      TRP 563  -5.931   8.317   0.413
  383    HE1  TRP 563           HE1      TRP 563  -4.705  10.483  -0.217
  384    HE3  TRP 563           HE3      TRP 563  -3.119   6.660  -3.449
  385    HZ2  TRP 563           HZ2      TRP 563  -2.844  11.437  -2.196
  386    HZ3  TRP 563           HZ3      TRP 563  -1.663   8.205  -4.710
  387    HH2  TRP 563           HH2      TRP 563  -1.551  10.533  -4.121
  388    H    TYR 564           H        TYR 564  -4.992   4.822  -3.757
  389    HA   TYR 564           HA       TYR 564  -6.315   2.226  -3.402
  390   1HB   TYR 564          2HB       TYR 564  -7.341   4.235  -5.059
  391   2HB   TYR 564          1HB       TYR 564  -6.710   2.952  -6.095
  392    HD1  TYR 564           HD2      TYR 564  -7.248   0.515  -5.199
  393    HD2  TYR 564           HD1      TYR 564  -9.426   4.110  -4.371
  394    HE1  TYR 564           HE2      TYR 564  -9.306  -0.813  -4.718
  395    HE2  TYR 564           HE1      TYR 564 -11.435   2.845  -3.937
  396    HH   TYR 564           HH       TYR 564 -12.425   0.755  -4.189
  397    H    VAL 565           H        VAL 565  -4.996   0.664  -4.006
  398    HA   VAL 565           HA       VAL 565  -3.604   0.787  -6.502
  399    HB   VAL 565           HB       VAL 565  -2.042   1.258  -4.005
  400   1HG1  VAL 565          1HG1      VAL 565  -1.099  -0.830  -5.025
  401   2HG1  VAL 565          3HG1      VAL 565  -0.904   0.055  -6.538
  402   3HG1  VAL 565          2HG1      VAL 565   0.003   0.545  -5.108
  403   1HG2  VAL 565          1HG2      VAL 565  -2.487   2.352  -6.680
  404   2HG2  VAL 565          3HG2      VAL 565  -2.202   3.169  -5.148
  405   3HG2  VAL 565          2HG2      VAL 565  -0.843   2.478  -6.051
  406    H    THR 566           H        THR 566  -3.091  -1.188  -7.292
  407    HA   THR 566           HA       THR 566  -3.384  -3.418  -5.349
  408    HB   THR 566           HB       THR 566  -4.992  -3.111  -7.467
  409    HG1  THR 566           HG1      THR 566  -4.574  -4.926  -5.823
  410   1HG2  THR 566          3HG2      THR 566  -3.052  -3.128  -9.051
  411   2HG2  THR 566          2HG2      THR 566  -2.719  -4.785  -8.548
  412   3HG2  THR 566          1HG2      THR 566  -4.232  -4.401  -9.376
  413    H    VAL 567           H        VAL 567  -1.358  -3.904  -4.763
  414    HA   VAL 567           HA       VAL 567   0.771  -4.003  -6.833
  415    HB   VAL 567           HB       VAL 567   0.890  -3.945  -3.802
  416   1HG1  VAL 567          3HG1      VAL 567   2.537  -5.603  -4.918
  417   2HG1  VAL 567          2HG1      VAL 567   3.287  -4.180  -5.639
  418   3HG1  VAL 567          1HG1      VAL 567   3.243  -4.358  -3.886
  419   1HG2  VAL 567          3HG2      VAL 567   0.659  -1.826  -5.265
  420   2HG2  VAL 567          2HG2      VAL 567   1.980  -1.856  -4.097
  421   3HG2  VAL 567          1HG2      VAL 567   2.303  -2.174  -5.802
  422    H    THR 568           H        THR 568   1.540  -6.013  -7.455
  423    HA   THR 568           HA       THR 568   0.109  -8.353  -6.722
  424    HB   THR 568           HB       THR 568   2.446  -9.396  -7.563
  425    HG1  THR 568           HG1      THR 568   3.382  -7.296  -7.590
  426   1HG2  THR 568          3HG2      THR 568   0.200  -8.133  -9.126
  427   2HG2  THR 568          2HG2      THR 568   1.479  -9.057  -9.914
  428   3HG2  THR 568          1HG2      THR 568   0.432  -9.836  -8.724
  429    H    LEU 569           H        LEU 569   0.584 -10.019  -5.357
  430    HA   LEU 569           HA       LEU 569   2.947  -9.987  -3.627
  431   1HB   LEU 569          2HB       LEU 569   0.164  -9.609  -2.446
  432   2HB   LEU 569          1HB       LEU 569   1.637  -9.888  -1.516
  433    HG   LEU 569           HG       LEU 569   1.181  -7.524  -3.370
  434   1HD1  LEU 569          1HD1      LEU 569   0.734  -7.924  -0.437
  435   2HD1  LEU 569          3HD1      LEU 569   1.448  -6.387  -0.959
  436   3HD1  LEU 569          2HD1      LEU 569  -0.120  -6.885  -1.580
  437   1HD2  LEU 569          2HD2      LEU 569   3.557  -8.365  -3.050
  438   2HD2  LEU 569          1HD2      LEU 569   3.280  -6.700  -2.548
  439   3HD2  LEU 569          3HD2      LEU 569   3.379  -7.979  -1.341
  440    HA   PRO 570           HA       PRO 570   1.254 -14.066  -4.777
  441   1HB   PRO 570          2HB       PRO 570   3.688 -15.080  -5.551
  442   2HB   PRO 570          1HB       PRO 570   2.633 -14.154  -6.630
  443   1HG   PRO 570          2HG       PRO 570   5.156 -13.308  -5.301
  444   2HG   PRO 570          1HG       PRO 570   4.408 -12.698  -6.787
  445   1HD   PRO 570          2HD       PRO 570   4.323 -11.460  -4.238
  446   2HD   PRO 570          1HD       PRO 570   3.355 -11.013  -5.656
  447    H    ALA 571           H        ALA 571   2.033 -16.265  -4.085
  448    HA   ALA 571           HA       ALA 571   2.758 -17.787  -2.462
  449   1HB   ALA 571          1HB       ALA 571   4.912 -16.377  -2.748
  450   2HB   ALA 571          3HB       ALA 571   4.431 -15.602  -1.239
  451   3HB   ALA 571          2HB       ALA 571   4.740 -17.337  -1.278
  452    H    GLY 572           H        GLY 572   0.851 -18.034  -1.296
  453   1HA   GLY 572          2HA       GLY 572  -0.562 -16.322   0.321
  454   2HA   GLY 572          1HA       GLY 572  -0.340 -18.013   0.758
  455    H    GLU 573           H        GLU 573  -0.238 -15.318   2.349
  456    HA   GLU 573           HA       GLU 573   1.634 -16.128   4.301
  457   1HB   GLU 573          2HB       GLU 573   3.470 -15.947   2.895
  458   2HB   GLU 573          1HB       GLU 573   2.778 -14.590   2.012
  459   1HG   GLU 573          2HG       GLU 573   4.636 -13.798   3.387
  460   2HG   GLU 573          1HG       GLU 573   3.126 -13.154   4.030
  461    H    SER 574           H        SER 574   1.793 -14.711   6.043
  462    HA   SER 574           HA       SER 574  -0.126 -12.479   6.044
  463   1HB   SER 574          2HB       SER 574  -0.110 -13.850   8.030
  464   2HB   SER 574          1HB       SER 574   1.640 -13.711   8.179
  465    HG   SER 574           HG       SER 574  -0.032 -12.228   9.380
  466    H    PHE 575           H        PHE 575   1.491 -11.624   4.289
  467    HA   PHE 575           HA       PHE 575   4.030 -10.628   4.771
  468   1HB   PHE 575          2HB       PHE 575   1.809  -9.298   3.214
  469   2HB   PHE 575          1HB       PHE 575   3.530  -8.964   3.031
  470    HD1  PHE 575           HD2      PHE 575   0.837 -11.497   2.462
  471    HD2  PHE 575           HD1      PHE 575   4.987 -10.482   1.909
  472    HE1  PHE 575           HE2      PHE 575   1.089 -13.329   0.820
  473    HE2  PHE 575           HE1      PHE 575   5.217 -12.310   0.258
  474    HZ   PHE 575           HZ       PHE 575   3.269 -13.730  -0.287
  475    H    GLU 576           H        GLU 576   4.148  -7.953   4.534
  476    HA   GLU 576           HA       GLU 576   2.576  -6.617   6.629
  477   1HB   GLU 576          2HB       GLU 576   5.357  -7.549   7.017
  478   2HB   GLU 576          1HB       GLU 576   5.067  -5.863   7.449
  479   1HG   GLU 576          2HG       GLU 576   3.256  -6.501   8.938
  480   2HG   GLU 576          1HG       GLU 576   3.382  -8.184   8.427
  481    H    TYR 577           H        TYR 577   2.113  -4.645   5.703
  482    HA   TYR 577           HA       TYR 577   4.246  -3.417   3.995
  483   1HB   TYR 577          2HB       TYR 577   1.308  -3.027   3.446
  484   2HB   TYR 577          1HB       TYR 577   2.675  -2.776   2.363
  485    HD1  TYR 577           HD2      TYR 577   0.990  -5.476   4.330
  486    HD2  TYR 577           HD1      TYR 577   3.231  -4.441   0.821
  487    HE1  TYR 577           HE2      TYR 577   0.766  -7.796   3.494
  488    HE2  TYR 577           HE1      TYR 577   3.033  -6.752   0.002
  489    HH   TYR 577           HH       TYR 577   0.920  -9.066   1.528
  490    H    LYS 578           H        LYS 578   3.472  -0.972   3.589
  491    HA   LYS 578           HA       LYS 578   1.975   0.251   5.716
  492   1HB   LYS 578          2HB       LYS 578   4.675  -0.410   6.333
  493   2HB   LYS 578          1HB       LYS 578   4.542   1.346   6.235
  494   1HG   LYS 578          2HG       LYS 578   2.746  -0.490   7.848
  495   2HG   LYS 578          1HG       LYS 578   3.992   0.566   8.510
  496   1HD   LYS 578          2HD       LYS 578   2.742   2.497   7.371
  497   2HD   LYS 578          1HD       LYS 578   1.418   1.357   7.137
  498   1HE   LYS 578          2HE       LYS 578   1.124   1.053   9.479
  499   2HE   LYS 578          1HE       LYS 578   2.666   1.825   9.849
  500   1HZ   LYS 578          2HZ       LYS 578   0.394   3.220   8.547
  501   2HZ   LYS 578          1HZ       LYS 578   0.686   3.253  10.219
  502   3HZ   LYS 578          3HZ       LYS 578   1.821   3.917   9.149
  503    H    PHE 579           H        PHE 579   2.011   2.616   5.606
  504    HA   PHE 579           HA       PHE 579   2.365   3.473   2.817
  505   1HB   PHE 579          2HB       PHE 579   0.716   5.023   3.247
  506   2HB   PHE 579          1HB       PHE 579   0.329   3.834   4.473
  507    HD1  PHE 579           HD1      PHE 579   1.271   4.136   6.829
  508    HD2  PHE 579           HD2      PHE 579   1.324   7.241   3.859
  509    HE1  PHE 579           HE1      PHE 579   1.609   5.831   8.606
  510    HE2  PHE 579           HE2      PHE 579   1.662   8.936   5.638
  511    HZ   PHE 579           HZ       PHE 579   1.805   8.232   8.012
  512    H    ILE 580           H        ILE 580   3.099   5.704   2.380
  513    HA   ILE 580           HA       ILE 580   5.272   6.783   4.173
  514    HB   ILE 580           HB       ILE 580   6.365   7.018   1.679
  515   1HG1  ILE 580          2HG1      ILE 580   5.321   4.191   1.824
  516   2HG1  ILE 580          1HG1      ILE 580   4.541   5.442   0.846
  517   1HG2  ILE 580          2HG2      ILE 580   7.042   5.914   4.072
  518   2HG2  ILE 580          1HG2      ILE 580   7.149   4.532   2.979
  519   3HG2  ILE 580          3HG2      ILE 580   8.070   6.004   2.627
  520   1HD1  ILE 580          3HD1      ILE 580   6.793   5.859  -0.219
  521   2HD1  ILE 580          2HD1      ILE 580   7.371   4.405   0.590
  522   3HD1  ILE 580          1HD1      ILE 580   6.076   4.294  -0.603
  523    H    ARG 581           H        ARG 581   5.473   9.033   3.885
  524    HA   ARG 581           HA       ARG 581   3.429  10.417   2.241
  525   1HB   ARG 581          2HB       ARG 581   3.757  11.265   4.517
  526   2HB   ARG 581          1HB       ARG 581   5.494  11.401   4.242
  527   1HG   ARG 581          2HG       ARG 581   5.237  13.192   2.719
  528   2HG   ARG 581          1HG       ARG 581   3.515  12.875   2.509
  529   1HD   ARG 581          2HD       ARG 581   3.882  13.290   5.273
  530   2HD   ARG 581          1HD       ARG 581   4.822  14.549   4.470
  531    HE   ARG 581           HE       ARG 581   2.553  14.840   3.120
  532   1HH1  ARG 581          2HH1      ARG 581   2.036  13.092   5.880
  533   2HH1  ARG 581          1HH1      ARG 581   0.988  14.237   6.648
  534   1HH2  ARG 581          1HH2      ARG 581   1.613  16.755   4.349
  535   2HH2  ARG 581          2HH2      ARG 581   0.748  16.311   5.782
  536    H    ILE 582           H        ILE 582   4.234  10.333   0.062
  537    HA   ILE 582           HA       ILE 582   7.109  11.035  -0.239
  538    HB   ILE 582           HB       ILE 582   5.187   9.781  -2.215
  539   1HG1  ILE 582          2HG1      ILE 582   6.571   7.752  -1.844
  540   2HG1  ILE 582          1HG1      ILE 582   7.518   8.612  -0.634
  541   1HG2  ILE 582          2HG2      ILE 582   6.934  11.134  -3.331
  542   2HG2  ILE 582          1HG2      ILE 582   8.184  10.275  -2.431
  543   3HG2  ILE 582          3HG2      ILE 582   7.183   9.411  -3.603
  544   1HD1  ILE 582          3HD1      ILE 582   4.558   8.578  -0.316
  545   2HD1  ILE 582          2HD1      ILE 582   5.451   7.113   0.075
  546   3HD1  ILE 582          1HD1      ILE 582   5.821   8.618   0.908
  547    H    GLU 583           H        GLU 583   7.692  12.924  -0.936
  548    HA   GLU 583           HA       GLU 583   5.804  14.992  -1.685
  549   1HB   GLU 583          2HB       GLU 583   8.666  14.725  -1.061
  550   2HB   GLU 583          1HB       GLU 583   8.338  15.931  -2.297
  551   1HG   GLU 583          2HG       GLU 583   8.246  16.989  -0.097
  552   2HG   GLU 583          1HG       GLU 583   6.616  16.938  -0.771
  553    H    SER 584           H        SER 584   6.908  16.371  -3.740
  554    HA   SER 584           HA       SER 584   6.135  14.927  -6.057
  555   1HB   SER 584          2HB       SER 584   7.983  17.317  -5.830
  556   2HB   SER 584          1HB       SER 584   7.274  16.738  -7.335
  557    HG   SER 584           HG       SER 584   5.549  17.801  -6.815
  558    H    ASP 585           H        ASP 585   8.939  14.851  -4.196
  559    HA   ASP 585           HA       ASP 585  10.412  13.340  -6.303
  560   1HB   ASP 585          2HB       ASP 585  12.461  13.916  -5.119
  561   2HB   ASP 585          1HB       ASP 585  11.556  15.395  -5.444
  562    H    ASP 586           H        ASP 586  12.207  12.106  -4.560
  563    HA   ASP 586           HA       ASP 586  10.483  10.020  -3.440
  564   1HB   ASP 586          2HB       ASP 586  12.652   8.784  -3.152
  565   2HB   ASP 586          1HB       ASP 586  12.321   9.264  -4.818
  566    H    SER 587           H        SER 587  11.282  12.821  -2.131
  567    HA   SER 587           HA       SER 587  12.518  11.882   0.375
  568   1HB   SER 587          2HB       SER 587  11.773  14.203   1.186
  569   2HB   SER 587          1HB       SER 587  12.932  14.194  -0.141
  570    HG   SER 587           HG       SER 587  10.385  15.122  -0.059
  571    H    VAL 588           H        VAL 588  11.247  11.164   2.221
  572    HA   VAL 588           HA       VAL 588   8.368  11.715   1.996
  573    HB   VAL 588           HB       VAL 588   7.629   9.564   1.544
  574   1HG1  VAL 588          2HG1      VAL 588  10.378   9.722   0.366
  575   2HG1  VAL 588          1HG1      VAL 588   9.242   8.423   0.008
  576   3HG1  VAL 588          3HG1      VAL 588   8.837  10.088  -0.416
  577   1HG2  VAL 588          1HG2      VAL 588  10.120   8.665   2.923
  578   2HG2  VAL 588          3HG2      VAL 588   8.439   8.258   3.255
  579   3HG2  VAL 588          2HG2      VAL 588   9.231   7.583   1.841
  580    H    GLU 589           H        GLU 589   7.184  10.194   3.572
  581    HA   GLU 589           HA       GLU 589   8.550  10.081   6.219
  582   1HB   GLU 589          2HB       GLU 589   5.609  10.746   5.932
  583   2HB   GLU 589          1HB       GLU 589   6.636  10.938   7.350
  584   1HG   GLU 589          2HG       GLU 589   7.904  12.710   6.209
  585   2HG   GLU 589          1HG       GLU 589   6.881  12.531   4.784
  586    H    TRP 590           H        TRP 590   7.167   8.512   7.629
  587    HA   TRP 590           HA       TRP 590   6.258   6.416   5.758
  588   1HB   TRP 590          2HB       TRP 590   8.585   6.645   7.524
  589   2HB   TRP 590          1HB       TRP 590   7.783   5.119   7.474
  590    HD1  TRP 590           HD1      TRP 590   9.034   7.686   4.899
  591    HE1  TRP 590           HE1      TRP 590  10.170   6.403   2.993
  592    HE3  TRP 590           HE3      TRP 590   8.028   2.935   6.391
  593    HZ2  TRP 590           HZ2      TRP 590  10.593   3.671   2.196
  594    HZ3  TRP 590           HZ3      TRP 590   8.806   0.996   5.042
  595    HH2  TRP 590           HH2      TRP 590  10.073   1.363   2.940
  596    H    GLU 591           H        GLU 591   6.015   4.410   7.098
  597    HA   GLU 591           HA       GLU 591   3.637   4.403   8.603
  598   1HB   GLU 591          2HB       GLU 591   4.454   2.164   9.421
  599   2HB   GLU 591          1HB       GLU 591   4.559   2.319   7.694
  600   1HG   GLU 591          2HG       GLU 591   6.967   3.212   8.167
  601   2HG   GLU 591          1HG       GLU 591   6.756   2.390   9.714
  602    H    SER 592           H        SER 592   3.283   4.062  10.874
  603    HA   SER 592           HA       SER 592   5.204   5.378  12.646
  604   1HB   SER 592          2HB       SER 592   2.676   5.212  13.099
  605   2HB   SER 592          1HB       SER 592   2.933   3.498  13.413
  606    HG   SER 592           HG       SER 592   3.469   5.670  14.969
  607    H    ASP 593           H        ASP 593   4.836   2.905  14.558
  608    HA   ASP 593           HA       ASP 593   7.057   1.452  13.260
  609   1HB   ASP 593          2HB       ASP 593   5.981   1.572  16.038
  610   2HB   ASP 593          1HB       ASP 593   6.785   0.090  15.520
  611    HA   PRO 594           HA       PRO 594   3.961  -2.068  13.879
  612   1HB   PRO 594          2HB       PRO 594   1.346  -1.407  14.339
  613   2HB   PRO 594          1HB       PRO 594   2.522  -1.759  15.615
  614   1HG   PRO 594          2HG       PRO 594   1.403   0.871  14.772
  615   2HG   PRO 594          1HG       PRO 594   2.069   0.389  16.342
  616   1HD   PRO 594          2HD       PRO 594   3.394   1.922  14.372
  617   2HD   PRO 594          1HD       PRO 594   4.158   1.172  15.791
  618    H    ASN 595           H        ASN 595   4.422  -2.044  11.691
  619    HA   ASN 595           HA       ASN 595   2.849  -0.634   9.710
  620   1HB   ASN 595          2HB       ASN 595   4.138  -3.224   8.967
  621   2HB   ASN 595          1HB       ASN 595   4.149  -1.685   8.116
  622   1HD2  ASN 595          2HD2      ASN 595   7.525  -2.320   9.697
  623   2HD2  ASN 595          1HD2      ASN 595   6.545  -3.248   8.664
  624    H    ARG 596           H        ARG 596   1.535  -1.958   8.012
  625    HA   ARG 596           HA       ARG 596  -0.491  -3.472   9.505
  626   1HB   ARG 596          2HB       ARG 596  -0.285  -2.262   6.776
  627   2HB   ARG 596          1HB       ARG 596  -1.446  -3.566   7.026
  628   1HG   ARG 596          2HG       ARG 596  -1.374  -1.374   9.053
  629   2HG   ARG 596          1HG       ARG 596  -2.097  -1.016   7.484
  630   1HD   ARG 596          2HD       ARG 596  -3.567  -3.002   7.728
  631   2HD   ARG 596          1HD       ARG 596  -2.872  -3.301   9.322
  632    HE   ARG 596           HE       ARG 596  -4.728  -1.108   8.625
  633   1HH1  ARG 596          1HH2      ARG 596  -3.002   0.353  10.312
  634   2HH1  ARG 596          2HH2      ARG 596  -3.433  -0.105  11.926
  635   1HH2  ARG 596          2HH1      ARG 596  -5.107  -2.980  10.948
  636   2HH2  ARG 596          1HH1      ARG 596  -4.624  -1.991  12.286
  637    H    GLU 597           H        GLU 597  -1.411  -5.418   8.005
  638    HA   GLU 597           HA       GLU 597   0.833  -7.022   6.941
  639   1HB   GLU 597          2HB       GLU 597   0.429  -8.901   8.372
  640   2HB   GLU 597          1HB       GLU 597   0.578  -7.494   9.425
  641   1HG   GLU 597          2HG       GLU 597  -2.048  -7.359   9.010
  642   2HG   GLU 597          1HG       GLU 597  -1.846  -9.088   8.725
  643    H    TYR 598           H        TYR 598   0.051  -8.946   5.766
  644    HA   TYR 598           HA       TYR 598  -2.833  -8.938   5.129
  645   1HB   TYR 598          2HB       TYR 598  -1.844  -7.408   3.467
  646   2HB   TYR 598          1HB       TYR 598  -0.754  -8.688   2.987
  647    HD1  TYR 598           HD1      TYR 598  -4.399  -8.637   3.853
  648    HD2  TYR 598           HD2      TYR 598  -1.367  -9.594   0.949
  649    HE1  TYR 598           HE1      TYR 598  -6.108  -9.716   2.435
  650    HE2  TYR 598           HE2      TYR 598  -3.087 -10.670  -0.468
  651    HH   TYR 598           HH       TYR 598  -5.929 -11.702   0.567
  652    H    THR 599           H        THR 599  -3.591 -10.956   4.498
  653    HA   THR 599           HA       THR 599  -1.528 -13.105   4.450
  654    HB   THR 599           HB       THR 599  -3.772 -14.498   4.869
  655    HG1  THR 599           HG1      THR 599  -4.349 -12.340   6.492
  656   1HG2  THR 599          2HG2      THR 599  -1.559 -14.039   6.228
  657   2HG2  THR 599          1HG2      THR 599  -2.633 -13.053   7.224
  658   3HG2  THR 599          3HG2      THR 599  -2.958 -14.775   7.014
  659    H    VAL 600           H        VAL 600  -1.097 -13.660   2.405
  660    HA   VAL 600           HA       VAL 600  -3.016 -13.301   0.258
  661    HB   VAL 600           HB       VAL 600  -0.268 -14.544   0.415
  662   1HG1  VAL 600          3HG1      VAL 600  -2.333 -15.199  -1.487
  663   2HG1  VAL 600          2HG1      VAL 600  -1.071 -14.277  -2.296
  664   3HG1  VAL 600          1HG1      VAL 600  -0.663 -15.761  -1.448
  665   1HG2  VAL 600          1HG2      VAL 600  -0.856 -11.998   0.230
  666   2HG2  VAL 600          3HG2      VAL 600   0.421 -12.685  -0.778
  667   3HG2  VAL 600          2HG2      VAL 600  -1.189 -12.397  -1.462
  668    HA   PRO 601           HA       PRO 601  -4.878 -17.285   1.123
  669   1HB   PRO 601          2HB       PRO 601  -6.889 -17.007  -0.730
  670   2HB   PRO 601          1HB       PRO 601  -6.933 -16.263   0.877
  671   1HG   PRO 601          2HG       PRO 601  -6.414 -14.986  -1.770
  672   2HG   PRO 601          1HG       PRO 601  -7.098 -14.277  -0.297
  673   1HD   PRO 601          2HD       PRO 601  -4.441 -13.949  -1.196
  674   2HD   PRO 601          1HD       PRO 601  -5.041 -13.569   0.430
  675    H    GLN 602           H        GLN 602  -5.535 -16.621  -2.295
  676    HA   GLN 602           HA       GLN 602  -3.390 -18.358  -3.252
  677   1HB   GLN 602          2HB       GLN 602  -5.381 -19.763  -4.425
  678   2HB   GLN 602          1HB       GLN 602  -4.632 -20.255  -2.907
  679   1HG   GLN 602          2HG       GLN 602  -6.873 -18.308  -2.709
  680   2HG   GLN 602          1HG       GLN 602  -7.298 -19.955  -3.175
  681   1HE2  GLN 602          2HE2      GLN 602  -7.096 -19.549   0.622
  682   2HE2  GLN 602          1HE2      GLN 602  -7.850 -18.593  -0.560
  683    H    ALA 603           H        ALA 603  -4.360 -18.952  -5.774
  684    HA   ALA 603           HA       ALA 603  -5.314 -16.330  -6.834
  685   1HB   ALA 603          1HB       ALA 603  -2.721 -16.923  -7.007
  686   2HB   ALA 603          3HB       ALA 603  -3.276 -17.858  -8.395
  687   3HB   ALA 603          2HB       ALA 603  -3.566 -16.120  -8.330
  688    H    CYS 604           H        CYS 604  -5.372 -16.944  -9.514
  689    HA   CYS 604           HA       CYS 604  -6.726 -18.012 -11.101
  690   1HB   CYS 604          2HB       CYS 604  -5.136 -19.939 -10.053
  691   2HB   CYS 604          1HB       CYS 604  -6.718 -20.580  -9.613
  692    H    GLY 605           H        GLY 605  -8.833 -17.388 -11.054
  693   1HA   GLY 605          2HA       GLY 605 -11.151 -17.775 -10.599
  694   2HA   GLY 605          1HA       GLY 605 -10.687 -18.817  -9.251
  695    H    THR 606           H        THR 606  -8.864 -16.958  -8.025
  696    HA   THR 606           HA       THR 606 -10.329 -14.486  -7.479
  697    HB   THR 606           HB       THR 606 -11.622 -16.009  -6.080
  698    HG1  THR 606           HG1      THR 606 -11.525 -14.489  -4.663
  699   1HG2  THR 606          3HG2      THR 606  -8.893 -16.892  -5.132
  700   2HG2  THR 606          2HG2      THR 606 -10.368 -17.236  -4.228
  701   3HG2  THR 606          1HG2      THR 606 -10.161 -17.882  -5.857
  702    H    SER 607           H        SER 607  -7.885 -14.481  -8.451
  703    HA   SER 607           HA       SER 607  -5.860 -14.629  -6.324
  704   1HB   SER 607          2HB       SER 607  -4.267 -14.274  -8.029
  705   2HB   SER 607          1HB       SER 607  -5.527 -15.209  -8.828
  706    HG   SER 607           HG       SER 607  -4.795 -13.280  -9.963
  707    H    THR 608           H        THR 608  -7.604 -12.845  -5.387
  708    HA   THR 608           HA       THR 608  -6.319 -10.208  -5.965
  709    HB   THR 608           HB       THR 608  -8.660  -9.383  -4.997
  710    HG1  THR 608           HG1      THR 608  -9.358 -11.564  -4.682
  711   1HG2  THR 608          1HG2      THR 608  -8.013 -10.307  -7.795
  712   2HG2  THR 608          3HG2      THR 608  -9.517  -9.463  -7.422
  713   3HG2  THR 608          2HG2      THR 608  -7.967  -8.668  -7.147
  714    H    ALA 609           H        ALA 609  -6.791  -8.680  -3.952
  715    HA   ALA 609           HA       ALA 609  -6.824 -10.141  -1.411
  716   1HB   ALA 609          2HB       ALA 609  -4.362  -9.183  -2.721
  717   2HB   ALA 609          1HB       ALA 609  -4.509  -8.818  -1.002
  718   3HB   ALA 609          3HB       ALA 609  -4.592 -10.484  -1.561
  719    H    THR 610           H        THR 610  -5.970  -8.373   0.365
  720    HA   THR 610           HA       THR 610  -7.057  -5.697  -0.314
  721    HB   THR 610           HB       THR 610  -8.049  -7.276   2.065
  722    HG1  THR 610           HG1      THR 610  -9.987  -7.414   0.764
  723   1HG2  THR 610          1HG2      THR 610  -8.392  -4.540   1.017
  724   2HG2  THR 610          3HG2      THR 610  -9.906  -5.348   1.426
  725   3HG2  THR 610          2HG2      THR 610  -8.647  -5.163   2.647
  726    H    VAL 611           H        VAL 611  -6.212  -4.071   0.934
  727    HA   VAL 611           HA       VAL 611  -4.805  -4.650   3.443
  728    HB   VAL 611           HB       VAL 611  -3.378  -3.714   0.950
  729   1HG1  VAL 611          1HG1      VAL 611  -3.009  -2.007   2.722
  730   2HG1  VAL 611          3HG1      VAL 611  -2.486  -3.284   3.822
  731   3HG1  VAL 611          2HG1      VAL 611  -1.539  -2.920   2.380
  732   1HG2  VAL 611          2HG2      VAL 611  -3.369  -6.129   1.733
  733   2HG2  VAL 611          1HG2      VAL 611  -1.772  -5.394   1.602
  734   3HG2  VAL 611          3HG2      VAL 611  -2.529  -5.580   3.184
  735    H    THR 612           H        THR 612  -6.092  -3.251   4.568
  736    HA   THR 612           HA       THR 612  -6.913  -0.683   3.455
  737    HB   THR 612           HB       THR 612  -7.164  -1.234   6.372
  738    HG1  THR 612           HG1      THR 612  -7.699  -3.222   5.761
  739   1HG2  THR 612          2HG2      THR 612  -8.376   0.401   4.361
  740   2HG2  THR 612          1HG2      THR 612  -9.609  -0.678   5.015
  741   3HG2  THR 612          3HG2      THR 612  -8.700   0.380   6.095
  742    H    ASP 613           H        ASP 613  -5.297   0.748   3.189
  743    HA   ASP 613           HA       ASP 613  -3.367   1.193   5.424
  744   1HB   ASP 613          2HB       ASP 613  -2.645   2.960   3.460
  745   2HB   ASP 613          1HB       ASP 613  -1.958   1.349   3.647
  746    H    THR 614           H        THR 614  -3.652   2.987   6.695
  747    HA   THR 614           HA       THR 614  -5.766   4.890   5.778
  748    HB   THR 614           HB       THR 614  -4.851   4.245   8.596
  749    HG1  THR 614           HG1      THR 614  -7.128   3.683   7.033
  750   1HG2  THR 614          2HG2      THR 614  -5.980   6.613   7.472
  751   2HG2  THR 614          1HG2      THR 614  -7.222   5.832   8.460
  752   3HG2  THR 614          3HG2      THR 614  -5.665   6.257   9.176
  753    H    TRP 615           H        TRP 615  -5.254   7.089   5.704
  754    HA   TRP 615           HA       TRP 615  -2.405   7.654   6.396
  755   1HB   TRP 615          2HB       TRP 615  -2.543   7.864   4.070
  756   2HB   TRP 615          1HB       TRP 615  -4.106   8.640   4.143
  757    HD1  TRP 615           HD1      TRP 615  -4.101  11.185   5.280
  758    HE1  TRP 615           HE1      TRP 615  -2.295  13.017   5.014
  759    HE3  TRP 615           HE3      TRP 615  -0.239   8.307   3.706
  760    HZ2  TRP 615           HZ2      TRP 615   0.458  13.208   4.222
  761    HZ3  TRP 615           HZ3      TRP 615   1.978   9.315   3.200
  762    HH2  TRP 615           HH2      TRP 615   2.311  11.765   3.447
  763    H    ARG 616           H        ARG 616  -5.687   8.510   6.942
  764    HA   ARG 616           HA       ARG 616  -5.286  11.243   7.765
  765   1HB   ARG 616          2HB       ARG 616  -7.495   9.831   7.252
  766   2HB   ARG 616          1HB       ARG 616  -7.448   9.583   8.997
  767   1HG   ARG 616          2HG       ARG 616  -7.223  12.317   7.719
  768   2HG   ARG 616          1HG       ARG 616  -8.759  11.622   8.237
  769   1HD   ARG 616          2HD       ARG 616  -7.578  11.247  10.516
  770   2HD   ARG 616          1HD       ARG 616  -6.386  12.405   9.925
  771    HE   ARG 616           HE       ARG 616  -8.546  13.881   9.537
  772   1HH1  ARG 616          1HH2      ARG 616  -9.791  11.523  11.276
  773   2HH1  ARG 616          2HH2      ARG 616  -9.975  12.369  12.775
  774   1HH2  ARG 616          1HH1      ARG 616  -7.977  15.037  11.819
  775   2HH2  ARG 616          2HH1      ARG 616  -8.947  14.359  13.083
   
  No H/Q in entry =         775