*HEADER   COMPLEX (TRANSCRIPTION REGULATION/DNA)  01-JUL-97   1TF3    
*TITLE    TFIIIA FINGER 1-3 BOUND TO DNA, NMR, 22 STRUCTURES          
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: TRANSCRIPTION FACTOR IIIA;                       
*COMPND  3 CHAIN: A;                                                  
*COMPND  4 FRAGMENT: FINGERS 1-3 OF TFIIIA, RESIDUES 1, 11 - 101;     
*COMPND  5 SYNONYM: TFIIIA;                                           
*COMPND  6 ENGINEERED: YES;                                           
*COMPND  7 MUTATION: C35S;                                            
*COMPND  8 OTHER_DETAILS: MINIMAL DNA BINDING, ZF1-3 CONTAINS THREE   
*COMPND  9 ZINC ATOMS, TETRAHEDRALLY COORDINATED BY TWO CYSTEINE AND  
*COMPND 10 TWO HISTIDINE SIDE CHAINS;                                 
*COMPND 11 MOL_ID: 2;                                                 
*COMPND 12 MOLECULE: 5S RNA GENE;                                     
*COMPND 13 CHAIN: E, F;                                               
*COMPND 14 FRAGMENT: C-BLOCK, NT 79-93 OF 5S RNA GENE, NON-CODING AND 
*COMPND 15 CODING STRANDS;                                            
*COMPND 16 SYNONYM: 5S GENE;                                          
*COMPND 17 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: XENOPUS LAEVIS;                       
*SOURCE  3 ORGANISM_COMMON: AFRICAN CLAWED FROG;                      
*SOURCE  4 CELL: OOCYTES;                                             
*SOURCE  5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  6 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                      
*SOURCE  7 EXPRESSION_SYSTEM_PLASMID: PET21A;                         
*SOURCE  8 MOL_ID: 2;                                                 
*SOURCE  9 SYNTHETIC: WILD TYPE OOCYTE SEQUENCE;                      
*SOURCE 10 ORGANISM_SCIENTIFIC: XENOPUS LAEVIS;                       
*SOURCE 11 ORGANISM_COMMON: AFRICAN CLAWED FROG;                      
*SOURCE 12 CELL: OOCYTES;                                             
*SOURCE 13 OTHER_DETAILS: GENE FRAGMENT ENCODING FINGERS 1-3 OF TFIIIA
*SOURCE 14 WAS SUBCLONED INTO PET21A PLASMID AND EXPRESSED IN         
*SOURCE 15 ESCHERICHIA COLI BL21 (DE3) CELLS. DNA OLIGONUCLEOTIDE WAS 
*SOURCE 16 OBTAINED BY SOLID-PHASE SYNTHESIS                          
*KEYWDS   NMR, TFIIIA, PROTEIN, DNA, TRANSCRIPTION FACTOR, 5S RNA     
*KEYWDS  2 GENE, DNA BINDING PROTEIN, ZINC FINGER, COMPLEX            
*KEYWDS  3 (TRANSCRIPTION REGULATION/DNA)                             
*EXPDTA   NMR, 22 STRUCTURES                                          
*AUTHOR   M.P.FOSTER,D.S.WUTTKE,I.RADHAKRISHNAN,D.A.CASE,             
*AUTHOR  2 J.M.GOTTESFELD,P.E.WRIGHT                                  
*REVDAT  1   17-SEP-97 1TF3    0                                      
 
#
#    1 MET   HA      1 MET   QB    3.00  (# noech.upl:3.00)
 &rst iat=   4,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,

      rk2=20.0, rk3=20.0, ir6=1,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   6,   7,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    1 MET   HA      1 MET   QG    5.00  (# noech.upl:5.00)
 &rst iat=   4,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   9,   9,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    1 MET   QB      1 MET   QG    3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=   6,   7,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   9,   9,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    2 LYS   HA      2 LYS   HB+   2.50  (# noech.upl:2.50)
 &rst iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  25,  26,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    2 LYS   HA      2 LYS   HG+   3.00  (# noech.upl:3.00)
 &rst iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  28,  29,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    2 LYS   HA      2 LYS   HG-   3.00  (# noech.upl:3.00,noech_750.upl:4.00)
 &rst iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  28,  29,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    2 LYS   HA      2 LYS   QD    5.00  (# noech.upl:5.00)
 &rst iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  31,  32,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    2 LYS   HB+     2 LYS   QD    2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1=  25,  26,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  31,  32,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    2 LYS   HG+     2 LYS   QE    3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=  28,  29,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  34,  35,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    2 LYS   HG-     2 LYS   QD    2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1=  28,  29,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  31,  32,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    2 LYS   HG-     2 LYS   QE    3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=  28,  29,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  34,  35,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    2 LYS   QD      2 LYS   QE    2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1=  31,  32,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  34,  35,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    2 LYS   HA      3 ARG   H     3.00  (# noenh_750.upl:3.00)
 &rst iat=  23,  43, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    2 LYS   HA      3 ARG   QD    4.00  (# noech.upl:4.00)
 &rst iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  53,  54,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    2 LYS   HG-     4 TYR   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1,  67, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=  28,  29,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    3 ARG   H       3 ARG   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat=  43,  47, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    3 ARG   H       3 ARG   HG+   4.00  (# noenh_750.upl:4.00)
 &rst iat=  43,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  50,  51,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    3 ARG   HA      3 ARG   HB2   3.00  (# noech.upl:3.00)
 &rst iat=  45,  47, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    3 ARG   HA      3 ARG   HG+   4.00  (# noech.upl:4.00)
 &rst iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  50,  51,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    3 ARG   HA      3 ARG   HG-   5.00  (# noech.upl:5.00)
 &rst iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  50,  51,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    3 ARG   HA      3 ARG   QD    3.00  (# noech.upl:5.00,noech_750.upl:3.00)
 &rst iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  53,  54,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    3 ARG   HB2     3 ARG   HG+   2.50  (# noech.upl:2.50)
 &rst iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  50,  51,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    3 ARG   HB2     3 ARG   HG-   2.50  (# noech.upl:2.50)
 &rst iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  50,  51,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    3 ARG   HB2     3 ARG   QD    3.00  (# noech.upl:3.00)
 &rst iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  53,  54,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    3 ARG   HB3     3 ARG   HG+   2.50  (# noech.upl:2.50)
 &rst iat=  48,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  50,  51,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    3 ARG   HB3     3 ARG   HG-   2.50  (# noech.upl:2.50)
 &rst iat=  48,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  50,  51,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    3 ARG   HB3     3 ARG   QD    4.00  (# noech.upl:4.00,noech_750.upl:4.00)
 &rst iat=  48,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  53,  54,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    3 ARG   HG+     3 ARG   QD    3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=  50,  51,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  53,  54,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    3 ARG   HG-     3 ARG   QD    3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=  50,  51,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  53,  54,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    3 ARG   HA      4 TYR   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  45,  67, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    3 ARG   HA      4 TYR   HB2   5.00  (# noech.upl:5.00)
 &rst iat=  45,  71, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    3 ARG   HB2     4 TYR   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  47,  67, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    3 ARG   HB3    14 ALA   MB    3.00  (# noech.upl:3.00)
 &rst iat=  48,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 201, 202, 203,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    3 ARG   QD     14 ALA   MB    5.00  (# noech_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1=  53,  54,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 201, 202, 203,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    3 ARG   HB2    15 TYR   HA    5.50  (# noech.upl:5.50)
 &rst iat=  47, 209, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    3 ARG   HG-    15 TYR   HB3   5.00  (# noech.upl:5.00)
 &rst iat=  -1, 212, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=  50,  51,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    3 ARG   HA     16 ASN   HA    4.00  (# noech.upl:4.00)
 &rst iat=  45, 230, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    3 ARG   HA     16 ASN   HB2   5.00  (# noech_750.upl:5.00)
 &rst iat=  45, 232, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    3 ARG   HA     16 ASN   HB3   5.00  (# noech_750.upl:5.00)
 &rst iat=  45, 233, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    4 TYR   H       4 TYR   HB2   5.00  (# noenh_750.upl:5.00)
 &rst iat=  67,  71, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    4 TYR   H       4 TYR   HB3   4.00  (# noenh_750.upl:4.00)
 &rst iat=  67,  72, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    4 TYR   H       4 TYR   HD    4.00  (# noenh_750.upl:4.00)
 &rst iat=  67,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  75,  84,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    4 TYR   HA      4 TYR   HD    4.00  (# aromatic_750.upl:4.00)
 &rst iat=  69,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  75,  84,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    4 TYR   HA      4 TYR   HE    5.00  (# aromatic_750.upl:5.00)
 &rst iat=  69,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  77,  82,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    4 TYR   HB2     4 TYR   HD    5.00  (# noech.upl:5.00,aromatic_750.upl:5.00)
 &rst iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  75,  84,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    4 TYR   HB3     4 TYR   HD    4.00  (# noech.upl:4.00,aromatic_750.upl:4.00)
 &rst iat=  72,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  75,  84,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    4 TYR   HA      5 ILE   H     3.00  (# noenh_750.upl:3.00)
 &rst iat=  69,  88, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    4 TYR   H      16 ASN   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  67, 228, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    4 TYR   HD     16 ASN   HA    4.00  (# noech.upl:4.00)
 &rst iat=  -1, 230, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=  75,  84,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    4 TYR   HD     17 LYS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=  75,  84,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    4 TYR   HE     17 LYS   HA    5.00  (# aromatic_750.upl:5.00)
 &rst iat=  -1, 244, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=  77,  82,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    4 TYR   HD     18 ASN   HA    5.00  (# noech.upl:5.00,aromatic_750.upl:5.00)
 &rst iat=  -1, 266, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=  75,  84,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    4 TYR   HE     18 ASN   HA    5.00  (# noech.upl:5.00,aromatic_750.upl:5.00)
 &rst iat=  -1, 266, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=  77,  82,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    4 TYR   HE     18 ASN   HB2   4.00  (# noech.upl:4.00,aromatic_750.upl:5.00)
 &rst iat=  -1, 268, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=  77,  82,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    4 TYR   HE     18 ASN   HB3   5.00  (# noech.upl:5.00,aromatic_750.upl:5.00)
 &rst iat=  -1, 269, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=  77,  82,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    4 TYR   HA     21 LEU   MDX   5.00  (# noech.upl:5.00)
 &rst iat=  69,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#    4 TYR   HB2    21 LEU   MDX   3.00  (# noech.upl:3.00)
 &rst iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#    4 TYR   HB2    21 LEU   MDY   3.00  (# noech.upl:3.00)
 &rst iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#    4 TYR   HB3    21 LEU   MDX   4.00  (# noech.upl:4.00)
 &rst iat=  72,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#    4 TYR   HD     21 LEU   MDX   4.00  (# aromatic_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=  75,  84,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#    4 TYR   HE     21 LEU   MDX   5.50  (# aromatic_750.upl:5.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.65, r4= 8.15,
 igr1=  77,  82,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#    4 TYR   HE    112 DG    H3'   4.50  (# sfnoe.upl:4.50)
 &rst iat=  -1,2006, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  77,  82,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   H       5 ILE   HB    4.00  (# noenh_750.upl:4.00)
 &rst iat=  88,  92, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    5 ILE   H       5 ILE   HG1+  4.00  (# noenh_750.upl:4.00)
 &rst iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  98,  99,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   H       5 ILE   HG1-  4.00  (# noenh_750.upl:4.00)
 &rst iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  98,  99,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   H       5 ILE   MG2   4.00  (# noenh_750.upl:4.00)
 &rst iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  94,  95,  96,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   HA      5 ILE   HB    4.00  (# noech.upl:4.00)
 &rst iat=  90,  92, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    5 ILE   HA      5 ILE   HG1+  4.00  (# noech.upl:4.00)
 &rst iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  98,  99,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   HA      5 ILE   HG1-  3.00  (# noech.upl:3.00)
 &rst iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  98,  99,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   HA      5 ILE   MG2   3.00  (# noech.upl:3.00)
 &rst iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  94,  95,  96,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   HB      5 ILE   HG1+  3.00  (# noech.upl:3.00)
 &rst iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  98,  99,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   HB      5 ILE   HG1-  3.00  (# noech.upl:3.00)
 &rst iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  98,  99,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   HB      5 ILE   MD1   3.00  (# noech.upl:3.00)
 &rst iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 101, 102, 103,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   HB      5 ILE   MG2   2.50  (# noech.upl:2.50)
 &rst iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  94,  95,  96,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   HG1+    5 ILE   MD1   2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
 igr1=  98,  99,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 101, 102, 103,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   HG1+    5 ILE   MG2   3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1=  98,  99,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  94,  95,  96,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   HG1-    5 ILE   MD1   2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
 igr1=  98,  99,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 101, 102, 103,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   HG1-    5 ILE   MG2   2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
 igr1=  98,  99,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  94,  95,  96,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   HA      6 CYS   H     3.00  (# noenh_750.upl:3.00)
 &rst iat=  90, 107, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    5 ILE   HB      6 CYS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  92, 107, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    5 ILE   HG1+    6 CYS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 107, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=  98,  99,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   MG2     6 CYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1, 107, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=  94,  95,  96,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   MG2    12 GLY   HA-   4.00  (# noech.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1=  94,  95,  96,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 182, 183,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   HA     14 ALA   HA    3.00  (# noech.upl:3.00)
 &rst iat=  90, 199, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    5 ILE   HA     14 ALA   MB    3.00  (# noech.upl:3.00)
 &rst iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 201, 202, 203,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   HG1+   14 ALA   HA    5.00  (# noech.upl:5.00)
 &rst iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=  98,  99,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   HG1+   14 ALA   MB    3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1=  98,  99,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 201, 202, 203,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   HG1-   14 ALA   HA    5.00  (# noech.upl:5.00)
 &rst iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=  98,  99,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   HG1-   14 ALA   MB    3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1=  98,  99,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 201, 202, 203,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   MD1    14 ALA   HA    5.00  (# noech.upl:5.00)
 &rst iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 101, 102, 103,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   MD1    14 ALA   MB    3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 101, 102, 103,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 201, 202, 203,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   MG2    14 ALA   HA    4.00  (# noech.upl:4.00)
 &rst iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=  94,  95,  96,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   MG2    14 ALA   MB    3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1=  94,  95,  96,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 201, 202, 203,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   H      21 LEU   MDY   4.00  (# noenh_750.upl:4.00)
 &rst iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   HA     21 LEU   MDY   4.00  (# noech.upl:4.00)
 &rst iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   MG2    21 LEU   MDY   5.00  (# noech.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1=  94,  95,  96,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#    6 CYS   H       6 CYS   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 107, 109, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    6 CYS   H       6 CYS   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 107, 111, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    6 CYS   H       6 CYS   HB3   4.00  (# noenh_750.upl:4.00)
 &rst iat= 107, 112, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    6 CYS   HA      6 CYS   HB2   3.00  (# noech.upl:3.00)
 &rst iat= 109, 111, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    6 CYS   HA      6 CYS   HB3   3.00  (# noech.upl:3.00)
 &rst iat= 109, 112, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    6 CYS   HA      7 SER   H     3.00  (# noenh_750.upl:3.00)
 &rst iat= 109, 117, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    6 CYS   HA      8 PHE   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 109, 128, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    6 CYS   HA     13 ALA   MB    5.00  (# noech.upl:5.00)
 &rst iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 191, 192, 193,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    6 CYS   HB2    13 ALA   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 111, 187, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    6 CYS   HB2    13 ALA   MB    3.00  (# noech.upl:3.00)
 &rst iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 191, 192, 193,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    6 CYS   HB3    13 ALA   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 112, 187, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    6 CYS   HB3    13 ALA   MB    3.00  (# noech.upl:3.00)
 &rst iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 191, 192, 193,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    6 CYS   H      14 ALA   HA    5.00  (# noenh_750.upl:5.00)
 &rst iat= 107, 199, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    6 CYS   H      21 LEU   MDY   4.00  (# noenh_750.upl:4.00)
 &rst iat= 107,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#    6 CYS   HA     21 LEU   MDX   4.00  (# noech.upl:4.00)
 &rst iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#    6 CYS   HA     21 LEU   MDY   3.00  (# noech.upl:3.00)
 &rst iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#    6 CYS   HB2    21 LEU   MDY   4.00  (# noech.upl:4.00)
 &rst iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#    6 CYS   HB3    21 LEU   MDX   4.00  (# noech.upl:4.00)
 &rst iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#    6 CYS   HB3    21 LEU   MDY   5.00  (# noech.upl:5.00)
 &rst iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#    6 CYS   HA     24 HIS   HD2   5.00  (# aromatic_750.upl:5.00)
 &rst iat= 109, 383, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    6 CYS   HB2    24 HIS   HD2   5.00  (# aromatic_750.upl:5.00)
 &rst iat= 111, 383, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    6 CYS   HA     25 LEU   HG    5.00  (# noech_750.upl:5.00)
 &rst iat= 109, 394, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    6 CYS   HA     25 LEU   MDY   3.00  (# noech.upl:3.00,noech_750.upl:4.00)
 &rst iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#    7 SER   HA      7 SER   HB+   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 121, 122,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    7 SER   HA      7 SER   HB-   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 121, 122,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    7 SER   H       8 PHE   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 117, 128, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    7 SER   HA      8 PHE   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 119, 128, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    7 SER   H      25 LEU   MDX   4.00  (# noenh_750.upl:4.00)
 &rst iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#    7 SER   H      25 LEU   MDY   3.00  (# noenh_750.upl:3.00)
 &rst iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#    7 SER   HA     25 LEU   MDX   5.00  (# noech_750.upl:5.00)
 &rst iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#    7 SER   HA     25 LEU   MDY   5.00  (# noech_750.upl:5.00)
 &rst iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#    7 SER   HB+    25 LEU   MDX   5.00  (# noech.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr1= 121, 122,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#    8 PHE   H       8 PHE   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 128, 130, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    8 PHE   H       8 PHE   HB2   3.00  (# noenh_750.upl:3.00)
 &rst iat= 128, 132, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    8 PHE   H       8 PHE   HB3   4.00  (# noenh_750.upl:4.00)
 &rst iat= 128, 133, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    8 PHE   H       8 PHE   HD    4.00  (# noenh_750.upl:4.00)
 &rst iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 136, 144,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    8 PHE   HA      8 PHE   HB2   3.00  (# noech.upl:3.00)
 &rst iat= 130, 132, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    8 PHE   HA      8 PHE   HB3   3.00  (# noech.upl:3.00)
 &rst iat= 130, 133, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    8 PHE   HA      8 PHE   HD    4.00  (# noech.upl:4.00,noech_750.upl:4.00,aromatic_750.upl:5.00)
 &rst iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 136, 144,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    8 PHE   HB2     8 PHE   HD    4.00  (# noech.upl:4.00,aromatic_750.upl:4.00)
 &rst iat= 132,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 136, 144,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    8 PHE   HB3     8 PHE   HD    4.00  (# noech.upl:4.00,aromatic_750.upl:4.00)
 &rst iat= 133,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 136, 144,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    8 PHE   HA      9 ALA   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 130, 148, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    8 PHE   HB3    11 CYS   HB2   5.00  (# noech.upl:5.00)
 &rst iat= 133, 174, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    8 PHE   HB3    11 CYS   HB3   5.00  (# noech.upl:5.00)
 &rst iat= 133, 175, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    8 PHE   HE     25 LEU   MDY   4.00  (# noech.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 138, 142,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#    8 PHE   HB2    28 HIS   HE1   5.00  (# aromatic_750.upl:5.00)
 &rst iat= 132, 449, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    8 PHE   HB3    28 HIS   HE1   5.00  (# aromatic_750.upl:5.00)
 &rst iat= 133, 449, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    8 PHE   HD     29 THR   MG2   5.00  (# noech_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 136, 144,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 462, 463, 464,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    8 PHE   HE     29 THR   MG2   4.00  (# noech_750.upl:4.00,aromatic_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1= 138, 142,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 462, 463, 464,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    8 PHE   HZ     29 THR   HA    5.00  (# aromatic_750.upl:5.00)
 &rst iat= 140, 458, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    8 PHE   HZ     29 THR   MG2   3.00  (# noech.upl:3.00)
 &rst iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 462, 463, 464,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    9 ALA   H       9 ALA   HA    5.00  (# noenh_750.upl:5.00)
 &rst iat= 148, 150, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    9 ALA   H       9 ALA   MB    4.00  (# noenh_750.upl:4.00)
 &rst iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 152, 153, 154,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    9 ALA   HA      9 ALA   MB    2.50  (# noech.upl:2.50)
 &rst iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 152, 153, 154,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    9 ALA   HA     10 ASP   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 150, 158, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    9 ALA   MB     10 ASP   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 152, 153, 154,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    9 ALA   MB     10 ASP   HB+   5.00  (# noech.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 152, 153, 154,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 162, 163,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   10 ASP   H      10 ASP   HA    3.00  (# noenh_750.upl:3.00)
 &rst iat= 158, 160, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   10 ASP   H      10 ASP   HB-   4.00  (# noenh_750.upl:4.00)
 &rst iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 162, 163,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   10 ASP   HA     10 ASP   HB+   3.00  (# noech.upl:3.00)
 &rst iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 162, 163,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   10 ASP   HA     10 ASP   HB-   2.50  (# noech.upl:2.50)
 &rst iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 162, 163,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   10 ASP   H      11 CYS   H     3.00  (# noenh_750.upl:3.00)
 &rst iat= 158, 170, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   10 ASP   HA     11 CYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 160, 170, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   11 CYS   H      11 CYS   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 170, 172, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   11 CYS   H      11 CYS   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 170, 174, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   11 CYS   H      11 CYS   HB3   3.00  (# noenh_750.upl:3.00)
 &rst iat= 170, 175, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   11 CYS   HA     11 CYS   HB2   3.00  (# noech.upl:3.00)
 &rst iat= 172, 174, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   11 CYS   HA     11 CYS   HB3   3.00  (# noech.upl:3.00)
 &rst iat= 172, 175, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   11 CYS   H      12 GLY   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 170, 180, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   11 CYS   HB2    12 GLY   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 174, 180, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   11 CYS   HB3    12 GLY   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 175, 180, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   11 CYS   H      13 ALA   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 170, 187, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 CYS   H      28 HIS   HE1   5.00  (# noenh_750.upl:5.00)
 &rst iat= 170, 449, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 CYS   HB2    28 HIS   HE1   5.00  (# aromatic_750.upl:5.00)
 &rst iat= 174, 449, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 CYS   HB3    28 HIS   HE1   5.00  (# aromatic_750.upl:5.00)
 &rst iat= 175, 449, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   12 GLY   H      12 GLY   HA+   3.00  (# noenh_750.upl:3.00)
 &rst iat= 180,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 182, 183,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   12 GLY   H      13 ALA   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 180, 187, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   12 GLY   HA-    13 ALA   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1, 187, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 182, 183,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   13 ALA   H      13 ALA   HA    3.00  (# noenh_750.upl:3.00)
 &rst iat= 187, 189, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   13 ALA   H      13 ALA   MB    3.00  (# noenh_750.upl:3.00)
 &rst iat= 187,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 191, 192, 193,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   13 ALA   HA     13 ALA   MB    2.50  (# noech.upl:2.50)
 &rst iat= 189,  -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 191, 192, 193,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   13 ALA   H      14 ALA   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 187, 197, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   13 ALA   H      14 ALA   MB    5.00  (# noenh_750.upl:5.00)
 &rst iat= 187,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 201, 202, 203,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   13 ALA   HA     14 ALA   H     3.00  (# noenh_750.upl:3.00)
 &rst iat= 189, 197, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   13 ALA   HA     14 ALA   HA    5.00  (# noech.upl:5.00)
 &rst iat= 189, 199, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   13 ALA   HA     14 ALA   MB    5.00  (# noech.upl:5.00)
 &rst iat= 189,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 201, 202, 203,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   13 ALA   MB     14 ALA   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1, 197, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 191, 192, 193,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   13 ALA   MB     15 TYR   HD    5.00  (# noech.upl:5.00,aromatic_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 191, 192, 193,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 215, 224,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   13 ALA   MB     15 TYR   HE    3.00  (# noech.upl:3.00,aromatic_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr1= 191, 192, 193,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 217, 222,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   13 ALA   MB     21 LEU   MDY   4.00  (# noech.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 191, 192, 193,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#   13 ALA   MB     24 HIS   HD2   5.00  (# aromatic_750.upl:5.00)
 &rst iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 191, 192, 193,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   13 ALA   MB     24 HIS   HE1   4.00  (# noech.upl:4.00,aromatic_750.upl:4.00)
 &rst iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 191, 192, 193,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   14 ALA   H      14 ALA   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 197, 199, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   14 ALA   H      14 ALA   MB    3.00  (# noenh_750.upl:3.00)
 &rst iat= 197,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 201, 202, 203,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   14 ALA   HA     14 ALA   MB    2.50  (# noech.upl:2.50)
 &rst iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 201, 202, 203,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   14 ALA   H      15 TYR   HD    5.00  (# noenh_750.upl:5.00)
 &rst iat= 197,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 215, 224,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   14 ALA   HA     15 TYR   H     3.00  (# noenh_750.upl:3.00)
 &rst iat= 199, 207, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   14 ALA   MB     15 TYR   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1, 207, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 201, 202, 203,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   15 TYR   H      15 TYR   HD    4.00  (# noenh_750.upl:4.00)
 &rst iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 215, 224,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   15 TYR   HA     15 TYR   HB3   5.00  (# noech.upl:5.00)
 &rst iat= 209, 212, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   15 TYR   HA     15 TYR   HD    4.00  (# noech.upl:5.00,aromatic_750.upl:4.00)
 &rst iat= 209,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 215, 224,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   15 TYR   HB2    15 TYR   HD    5.00  (# aromatic_750.upl:5.00)
 &rst iat= 211,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 215, 224,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   15 TYR   HB3    15 TYR   HD    4.00  (# noech.upl:4.00,aromatic_750.upl:4.00)
 &rst iat= 212,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 215, 224,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   15 TYR   HB2    16 ASN   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 211, 228, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   15 TYR   HB2    17 LYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 211, 242, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   15 TYR   HB3    17 LYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 212, 242, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   15 TYR   H      21 LEU   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 207, 328, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   15 TYR   HD     21 LEU   HA    5.00  (# aromatic_750.upl:5.00)
 &rst iat=  -1, 326, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 215, 224,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   15 TYR   HD     21 LEU   MDY   4.00  (# noech.upl:4.00,aromatic_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 215, 224,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#   15 TYR   HE     21 LEU   HA    5.00  (# aromatic_750.upl:5.00)
 &rst iat=  -1, 326, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 217, 222,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   15 TYR   HE     21 LEU   MDY   4.00  (# aromatic_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 217, 222,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#   15 TYR   HD    104 DG    H2'1  6.00  (# sfnoe.upl:6.0)
 &rst iat=  -1,1756, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1= 215, 224,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   15 TYR   HD    104 DG    H3'   4.50  (# sfnoe.upl:4.50)
 &rst iat=  -1,1754, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 215, 224,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   15 TYR   HE    104 DG    H3'   4.50  (# sfnoe.upl:4.50)
 &rst iat=  -1,1754, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 217, 222,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   16 ASN   HA     16 ASN   HB+   3.00  (# noech.upl:3.00)
 &rst iat= 230,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 232, 233,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   16 ASN   HA     16 ASN   HB-   3.00  (# noech.upl:3.00)
 &rst iat= 230,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 232, 233,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   16 ASN   H      17 LYS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 228, 242, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   16 ASN   HD2-   17 LYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 237, 238,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   17 LYS   H      17 LYS   HA    5.00  (# noenh_750.upl:5.00)
 &rst iat= 242, 244, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 LYS   H      17 LYS   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 242, 246, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   17 LYS   HA     17 LYS   HD+   5.00  (# noech.upl:5.00)
 &rst iat= 244,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 252, 253,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   17 LYS   HB3    17 LYS   HG+   4.00  (# noech.upl:4.00)
 &rst iat= 247,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 249, 250,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   17 LYS   HB3    17 LYS   HG-   3.00  (# noech.upl:5.00,noech_750.upl:3.00)
 &rst iat= 247,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 249, 250,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   17 LYS   HD+    17 LYS   HG-   3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 252, 253,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 249, 250,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   17 LYS   HD+    17 LYS   QE    3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 252, 253,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 255, 256,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   17 LYS   HG+    17 LYS   QE    3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 249, 250,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 255, 256,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   17 LYS   HG-    17 LYS   QE    3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 249, 250,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 255, 256,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   17 LYS   HA     18 ASN   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 244, 264, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   17 LYS   HB2    19 TRP   HD1   5.00  (# aromatic_750.upl:5.00)
 &rst iat= 246, 286, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 LYS   HB3    19 TRP   HD1   5.00  (# aromatic_750.upl:5.00)
 &rst iat= 247, 286, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 LYS   H      20 LYS   HB-   5.00  (# noenh_750.upl:5.00)
 &rst iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 306, 307,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   17 LYS   HB2    20 LYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 246, 302, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   17 LYS   HD+   112 DG    H2'1  4.00  (# sfnoe.upl:4.00)
 &rst iat=  -1,2008, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 252, 253,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   17 LYS   HD+   112 DG    H8    6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,1992, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 252, 253,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   17 LYS   HD-   112 DG    H2'1  5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,2008, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 252, 253,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   17 LYS   HD-   112 DG    H8    6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,1992, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 252, 253,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   17 LYS   QE    112 DG    H1'   6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,1989, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 255, 256,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   17 LYS   QE    112 DG    H8    5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,1992, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 255, 256,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   17 LYS   QD    113 DG    H8    5.00  (# sfnoe.upl:6.00,sfnoe.upl:5.00)
 &rst iat=  -1,2025, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 252, 253,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   17 LYS   QE    113 DG    H8    5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,2025, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 255, 256,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   17 LYS   HD2   114 DT    H7    5.00  (# sfnoe.upl:5.00)
 &rst iat= 252,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2061,2062,2063,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   17 LYS   HD3   114 DT    H7    5.00  (# sfnoe.upl:5.00)
 &rst iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2061,2062,2063,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   17 LYS   QE    114 DT    H7    4.00  (# sfnoe.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 255, 256,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2061,2062,2063,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   18 ASN   H      18 ASN   HA    5.00  (# noenh_750.upl:5.00)
 &rst iat= 264, 266, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 ASN   H      18 ASN   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 264, 268, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   18 ASN   H      18 ASN   HB3   4.00  (# noenh_750.upl:4.00)
 &rst iat= 264, 269, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   18 ASN   HA     18 ASN   HB2   4.00  (# noech.upl:4.00)
 &rst iat= 266, 268, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   18 ASN   HA     18 ASN   HB3   4.00  (# noech.upl:4.00)
 &rst iat= 266, 269, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   18 ASN   HB2    18 ASN   HD2+  4.00  (# noenh_750.upl:4.00)
 &rst iat= 268,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 273, 274,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   18 ASN   HB2    18 ASN   HD2-  5.00  (# noenh_750.upl:5.00)
 &rst iat= 268,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 273, 274,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   18 ASN   HB3    18 ASN   HD2+  4.00  (# noenh_750.upl:4.00)
 &rst iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 273, 274,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   18 ASN   HA     21 LEU   HB2   5.00  (# noech.upl:5.00)
 &rst iat= 266, 328, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 ASN   HA     21 LEU   HB3   4.00  (# noech.upl:4.00)
 &rst iat= 266, 329, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   18 ASN   HA     21 LEU   MDX   4.00  (# noech.upl:4.00)
 &rst iat= 266,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#   19 TRP   H      19 TRP   HA    5.00  (# noenh_750.upl:5.00)
 &rst iat= 278, 280, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 TRP   H      19 TRP   HD1   5.00  (# noenh_750.upl:5.00)
 &rst iat= 278, 286, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 TRP   HA     19 TRP   HB+   3.00  (# noech.upl:3.00,noech_750.upl:4.00)
 &rst iat= 280,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 282, 283,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   19 TRP   HA     19 TRP   HB-   3.00  (# noech.upl:3.00,noech_750.upl:4.00)
 &rst iat= 280,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 282, 283,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   19 TRP   HA     19 TRP   HE3   5.00  (# aromatic_750.upl:5.00)
 &rst iat= 280, 297, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 TRP   HB-    19 TRP   HD1   5.00  (# noech_750.upl:5.00)
 &rst iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 282, 283,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   19 TRP   HD1    19 TRP   HE1   5.00  (# noenh_750.upl:5.00)
 &rst iat= 286, 288, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 TRP   HA     20 LYS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 280, 302, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 TRP   HE1    20 LYS   HB+   5.00  (# noenh_750.upl:5.00)
 &rst iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 306, 307,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   19 TRP   HE3    20 LYS   HA    5.00  (# aromatic_750.upl:5.00)
 &rst iat= 297, 304, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 TRP   HA     22 GLN   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 280, 343, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 TRP   HA     22 GLN   HB2   4.00  (# noech.upl:5.00,noech_750.upl:4.00)
 &rst iat= 280, 347, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   19 TRP   HA     22 GLN   QG    4.00  (# noech.upl:4.00,noech_750.upl:4.00)
 &rst iat= 280,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 350, 351,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   19 TRP   HE3    23 ALA   MB    5.00  (# noech_750.upl:5.00,aromatic_750.upl:5.00)
 &rst iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 364, 365, 366,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   19 TRP   HZ3    23 ALA   MB    5.00  (# noech_750.upl:5.00,aromatic_750.upl:5.00)
 &rst iat= 295,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 364, 365, 366,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   19 TRP   HA     34 PHE   HD    5.00  (# noech_750.upl:5.00)
 &rst iat= 280,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 536, 544,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   19 TRP   HH2   104 DG    H8    4.00  (# sfnoe.upl:4.00)
 &rst iat= 293,1740, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   19 TRP   HZ3   104 DG    H8    3.50  (# sfnoe.upl:3.50)
 &rst iat= 295,1740, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 TRP   HZ2   105 DA    H8    5.00  (# sfnoe.upl:5.00)
 &rst iat= 291,1773, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 TRP   HD1   113 DG    H2'1  5.00  (# sfnoe.upl:5.00)
 &rst iat= 286,2041, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 TRP   HB+   114 DT    H7    5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 282, 283,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2061,2062,2063,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   19 TRP   HB-   114 DT    H7    6.00  (# sfnoe.upl:6.0)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
 igr1= 282, 283,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2061,2062,2063,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   19 TRP   HD1   114 DT    H7    3.50  (# sfnoe.upl:3.5)
 &rst iat= 286,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2061,2062,2063,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   19 TRP   HE1   114 DT    H7    5.00  (# sfnoe.upl:5.00)
 &rst iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2061,2062,2063,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   20 LYS   H      20 LYS   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 302, 304, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   20 LYS   H      20 LYS   HB-   4.00  (# noenh_750.upl:4.00)
 &rst iat= 302,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 306, 307,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   20 LYS   H      20 LYS   HG+   5.00  (# noenh_750.upl:5.00)
 &rst iat= 302,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 309, 310,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   20 LYS   H      20 LYS   HG-   4.00  (# noenh_750.upl:4.00)
 &rst iat= 302,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 309, 310,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   20 LYS   HA     20 LYS   HG+   5.00  (# aromatic_750.upl:5.00)
 &rst iat= 304,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 309, 310,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   20 LYS   HA     20 LYS   HG-   5.00  (# aromatic_750.upl:5.00)
 &rst iat= 304,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 309, 310,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   20 LYS   HD-    20 LYS   HE+   2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 312, 313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 315, 316,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   20 LYS   H      21 LEU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 302, 324, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   20 LYS   HA     21 LEU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 304, 324, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   20 LYS   H      22 GLN   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 302, 343, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 LYS   HA     23 ALA   MB    4.00  (# noech.upl:5.00,noech_750.upl:4.00)
 &rst iat= 304,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 364, 365, 366,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   20 LYS   HE+   104 DG    H1'   5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,1737, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 315, 316,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   20 LYS   HE+   104 DG    H2'1  6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,1756, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 315, 316,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   20 LYS   HE+   104 DG    H2'2  6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,1757, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 315, 316,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   20 LYS   HE+   104 DG    H8    5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,1740, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 315, 316,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   20 LYS   HE-   104 DG    H1'   6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,1737, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 315, 316,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   20 LYS   HE-   104 DG    H8    6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,1740, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 315, 316,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   20 LYS   QD    104 DG    H1'   6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,1737, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 312, 313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   20 LYS   QD    104 DG    H8    6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,1740, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 312, 313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   20 LYS   QE    104 DG    H3'   5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,1754, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 315, 316,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   20 LYS   HE+   105 DA    H8    5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,1773, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 315, 316,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   20 LYS   HE-   105 DA    H8    6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,1773, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 315, 316,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   20 LYS   QD    105 DA    H8    6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,1773, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 312, 313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   21 LEU   H      21 LEU   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 324, 326, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   21 LEU   H      21 LEU   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 324, 328, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   21 LEU   H      21 LEU   HB3   3.00  (# noenh_750.upl:3.00)
 &rst iat= 324, 329, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   21 LEU   H      21 LEU   MDY   4.00  (# noenh_750.upl:4.00)
 &rst iat= 324,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#   21 LEU   HA     21 LEU   HB3   3.00  (# noech.upl:3.00)
 &rst iat= 326, 329, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   21 LEU   HA     21 LEU   MDY   3.00  (# noech.upl:3.00)
 &rst iat= 326,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#   21 LEU   HB2    21 LEU   MDX   2.50  (# noech.upl:2.50)
 &rst iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#   21 LEU   HB2    21 LEU   MDY   2.50  (# noech.upl:2.50)
 &rst iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#   21 LEU   HB3    21 LEU   HG    3.00  (# noech.upl:3.00)
 &rst iat= 329, 331, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   21 LEU   HB3    21 LEU   MDX   2.50  (# noech.upl:2.50)
 &rst iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#   21 LEU   HB3    21 LEU   MDY   3.00  (# noech.upl:3.00)
 &rst iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#   21 LEU   HG     21 LEU   MDX   2.50  (# noech.upl:2.50)
 &rst iat= 331,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#   21 LEU   HG     21 LEU   MDY   2.50  (# noech.upl:2.50)
 &rst iat= 331,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#   21 LEU   H      22 GLN   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 324, 343, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   21 LEU   H      22 GLN   HE2+  4.00  (# noenh_750.upl:4.00)
 &rst iat= 324,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 355, 356,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   21 LEU   HB2    22 GLN   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 328, 343, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   21 LEU   MDY    22 GLN   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 343, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   21 LEU   MDY    22 GLN   HE2+  4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,
 igr2= 355, 356,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   21 LEU   MDY    22 GLN   HE2-  4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,
 igr2= 355, 356,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   21 LEU   HA     23 ALA   MB    5.00  (# noech_750.upl:5.00)
 &rst iat= 326,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 364, 365, 366,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   21 LEU   H      24 HIS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 324, 370, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   21 LEU   HA     24 HIS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 326, 370, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   21 LEU   HA     24 HIS   HB2   4.00  (# noech.upl:4.00)
 &rst iat= 326, 374, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   21 LEU   HA     24 HIS   HB3   4.00  (# noech.upl:4.00)
 &rst iat= 326, 375, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   21 LEU   MDX    24 HIS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 370, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   21 LEU   MDY    24 HIS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 370, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   21 LEU   MDY    24 HIS   HB2   4.00  (# noech.upl:4.00)
 &rst iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   21 LEU   MDY    25 LEU   MDY   3.00  (# noech_750.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#   22 GLN   H      22 GLN   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 343, 345, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   22 GLN   H      22 GLN   HB2   3.00  (# noenh_750.upl:3.00)
 &rst iat= 343, 347, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   22 GLN   H      22 GLN   HB3   4.00  (# noenh_750.upl:4.00)
 &rst iat= 343, 348, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   22 GLN   H      22 GLN   QG    4.00  (# noenh_750.upl:4.00)
 &rst iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 350, 351,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   22 GLN   HA     22 GLN   HB2   3.00  (# noech.upl:3.00)
 &rst iat= 345, 347, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   22 GLN   HA     22 GLN   HB3   3.00  (# noech.upl:3.00)
 &rst iat= 345, 348, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   22 GLN   HA     22 GLN   QG    4.00  (# noech.upl:4.00,noech_750.upl:4.00)
 &rst iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 350, 351,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   22 GLN   HB2    22 GLN   QG    2.50  (# noech.upl:2.50)
 &rst iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 350, 351,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   22 GLN   HB3    22 GLN   QG    2.50  (# noech.upl:2.50)
 &rst iat= 348,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 350, 351,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   22 GLN   HE2+   22 GLN   QG    4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 355, 356,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 350, 351,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   22 GLN   HE2-   22 GLN   QG    4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 355, 356,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 350, 351,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   22 GLN   H      23 ALA   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 343, 360, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   22 GLN   HA     23 ALA   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 345, 360, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   22 GLN   HB2    23 ALA   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 347, 360, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   22 GLN   HB2    23 ALA   MB    5.00  (# noech_750.upl:5.00)
 &rst iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 364, 365, 366,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   22 GLN   HB3    23 ALA   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 348, 360, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   22 GLN   HB3    23 ALA   MB    5.00  (# noech_750.upl:5.00)
 &rst iat= 348,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 364, 365, 366,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   22 GLN   HE2-   23 ALA   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 355, 356,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   22 GLN   QG     23 ALA   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 350, 351,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   22 GLN   H      24 HIS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 343, 370, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   22 GLN   HA     25 LEU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 345, 387, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   22 GLN   HA     25 LEU   MDX   3.00  (# noech.upl:3.00)
 &rst iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#   22 GLN   HA     25 LEU   MDY   3.00  (# noech.upl:3.00,noech_750.upl:4.00)
 &rst iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#   22 GLN   HB3    25 LEU   MDX   5.00  (# noech.upl:5.00)
 &rst iat= 348,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#   23 ALA   H      23 ALA   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 360, 362, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   23 ALA   H      23 ALA   MB    3.00  (# noenh_750.upl:3.00)
 &rst iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 364, 365, 366,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   23 ALA   HA     23 ALA   MB    2.50  (# noech.upl:2.50,noech_750.upl:3.00)
 &rst iat= 362,  -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 364, 365, 366,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   23 ALA   H      24 HIS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 360, 370, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   23 ALA   MB     24 HIS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1, 370, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 364, 365, 366,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   23 ALA   MB     24 HIS   HB3   5.00  (# noech_750.upl:5.00)
 &rst iat=  -1, 375, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 364, 365, 366,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   23 ALA   HA     26 SER   HB3   3.00  (# noech.upl:4.00,noech_750.upl:3.00)
 &rst iat= 362, 411, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   23 ALA   HA     46 THR   HB    4.00  (# noech.upl:4.00,noech_750.upl:4.00)
 &rst iat= 362, 709, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   23 ALA   HA     46 THR   MG2   3.00  (# noech.upl:3.00,noech_750.upl:4.00)
 &rst iat= 362,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 711, 712, 713,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   23 ALA   MB     46 THR   HA    5.00  (# noech_750.upl:5.00)
 &rst iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 364, 365, 366,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   23 ALA   MB     46 THR   HB    3.00  (# noech.upl:3.00,noech_750.upl:4.00)
 &rst iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1= 364, 365, 366,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   23 ALA   MB     46 THR   MG2   4.00  (# noech.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 364, 365, 366,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 711, 712, 713,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   23 ALA   MB     47 SER   HB2   5.00  (# noech_750.upl:5.00)
 &rst iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 364, 365, 366,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   23 ALA   MB     47 SER   HB3   5.00  (# noech_750.upl:5.00)
 &rst iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 364, 365, 366,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   24 HIS   H      24 HIS   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 370, 372, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   24 HIS   H      24 HIS   HB2   3.00  (# noenh_750.upl:3.00)
 &rst iat= 370, 374, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   24 HIS   H      24 HIS   HB3   3.00  (# noenh_750.upl:3.00)
 &rst iat= 370, 375, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   24 HIS   HA     24 HIS   HB2   4.00  (# noech.upl:4.00)
 &rst iat= 372, 374, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   24 HIS   HA     24 HIS   HB3   3.00  (# noech.upl:3.00)
 &rst iat= 372, 375, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   24 HIS   H      25 LEU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 370, 387, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   24 HIS   HD2    25 LEU   HA    4.00  (# noech_750.upl:4.00,aromatic_750.upl:4.00)
 &rst iat= 383, 389, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   24 HIS   HD2    25 LEU   MDX   5.00  (# aromatic_750.upl:5.00)
 &rst iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#   24 HIS   HD2    25 LEU   MDY   3.00  (# aromatic_750.upl:3.00)
 &rst iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#   24 HIS   HA     27 LYS   HD+   5.00  (# noech.upl:5.00,noech_750.upl:5.00)
 &rst iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 427, 428,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   24 HIS   HA     27 LYS   HD-   4.00  (# noech_750.upl:4.00)
 &rst iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 427, 428,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   24 HIS   HE1    27 LYS   HD+   5.00  (# aromatic_750.upl:5.00)
 &rst iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 427, 428,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   25 LEU   H      25 LEU   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 387, 391, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   25 LEU   H      25 LEU   HB3   4.00  (# noenh_750.upl:4.00)
 &rst iat= 387, 392, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   25 LEU   H      25 LEU   HG    4.00  (# noenh_750.upl:4.00)
 &rst iat= 387, 394, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   25 LEU   H      25 LEU   MDX   4.00  (# noenh_750.upl:4.00)
 &rst iat= 387,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#   25 LEU   H      25 LEU   MDY   5.00  (# noenh_750.upl:5.00)
 &rst iat= 387,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#   25 LEU   H      25 LYS   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 387, 389, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   25 LEU   HA     25 LEU   HB2   3.00  (# noech.upl:3.00)
 &rst iat= 389, 391, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   25 LEU   HA     25 LEU   HB3   3.00  (# noech.upl:3.00)
 &rst iat= 389, 392, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   25 LEU   HA     25 LEU   HG    3.00  (# noech.upl:3.00)
 &rst iat= 389, 394, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   25 LEU   HA     25 LEU   MDX   4.00  (# noech_750.upl:4.00)
 &rst iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#   25 LEU   HA     25 LEU   MDY   2.50  (# noech.upl:2.50)
 &rst iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#   25 LEU   HB2    25 LEU   HG    3.00  (# noech.upl:3.00)
 &rst iat= 391, 394, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   25 LEU   HB2    25 LEU   MDX   3.00  (# noech.upl:3.00)
 &rst iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#   25 LEU   HB2    25 LEU   MDY   3.00  (# noech.upl:3.00)
 &rst iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#   25 LEU   HB3    25 LEU   HG    3.00  (# noech.upl:3.00)
 &rst iat= 392, 394, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   25 LEU   HB3    25 LEU   MDX   2.50  (# noech.upl:2.50)
 &rst iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#   25 LEU   HB3    25 LEU   MDY   3.00  (# noech.upl:3.00)
 &rst iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#   25 LEU   HG     25 LEU   MDX   2.50  (# noech.upl:2.50)
 &rst iat= 394,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#   25 LEU   HG     25 LEU   MDY   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 394,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#   25 LEU   H      26 SER   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 387, 406, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   25 LEU   HB2    26 SER   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 391, 406, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   25 LEU   HB2    26 SER   HA    5.00  (# noech_750.upl:5.00)
 &rst iat= 391, 408, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   25 LEU   HB3    26 SER   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 392, 406, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   25 LEU   HG     26 SER   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 394, 406, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   25 LEU   MDX    26 SER   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   25 LEU   MDY    26 SER   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   25 LEU   HA     28 HIS   HD2   3.00  (# noech_750.upl:3.00,aromatic_750.upl:3.00)
 &rst iat= 389, 452, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   25 LEU   MDY    28 HIS   HB2   5.00  (# noech.upl:5.00,noech_750.upl:5.00)
 &rst iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   25 LEU   MDY    28 HIS   HD2   4.00  (# noech_750.upl:4.00,aromatic_750.upl:4.00)
 &rst iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   25 LYS   HA     28 HIS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 389, 439, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   25 LEU   HA     29 THR   MG2   5.00  (# noech_750.upl:5.00)
 &rst iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 462, 463, 464,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   25 LEU   HB2    29 THR   MG2   4.00  (# noech.upl:4.00)
 &rst iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 462, 463, 464,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   25 LEU   HB3    29 THR   MG2   4.00  (# noech.upl:4.00,noech_750.upl:5.00)
 &rst iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 462, 463, 464,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   25 LEU   MDX    29 THR   MG2   4.00  (# noech.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,
 igr2= 462, 463, 464,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   26 SER   H      26 SER   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 406, 408, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   26 SER   H      26 SER   HB3   3.00  (# noenh_750.upl:3.00)
 &rst iat= 406, 411, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   26 SER   HA     26 SER   HB3   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 408, 411, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   26 SER   H      27 LYS   H     3.00  (# noenh_750.upl:3.00)
 &rst iat= 406, 417, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   26 SER   HA     27 LYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 408, 417, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   26 SER   HA     28 HIS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 408, 439, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   26 SER   HA     29 THR   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 408, 456, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   26 SER   HA     29 THR   MG2   5.00  (# noech_750.upl:5.00)
 &rst iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 462, 463, 464,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   26 SER   HA     30 GLY   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 408, 470, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   26 SER   HA     31 GLU   HB+   4.00  (# noech_750.upl:4.00)
 &rst iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 481, 482,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   26 SER   HB2    32 LYS   HA    5.00  (# noech_750.upl:5.00)
 &rst iat= 410, 494, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   26 SER   HB3    32 LYS   HA    4.00  (# noech.upl:4.00,noech_750.upl:4.00)
 &rst iat= 411, 494, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   26 SER   HB3    32 LYS   HE+   5.00  (# noech.upl:5.00)
 &rst iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 505, 506,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   26 SER   HA     46 THR   MG2   5.00  (# noech_750.upl:5.00)
 &rst iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 711, 712, 713,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   26 SER   HB3    46 THR   MG2   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 711, 712, 713,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   27 LYS   H      27 LYS   HA    3.00  (# noenh_750.upl:3.00)
 &rst iat= 417, 419, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   27 LYS   H      27 LYS   HG+   4.00  (# noenh_750.upl:4.00)
 &rst iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 424, 425,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   27 LYS   H      27 LYS   HG-   4.00  (# noenh_750.upl:4.00)
 &rst iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 424, 425,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   27 LYS   HA     27 LYS   HG+   3.00  (# noech.upl:3.00)
 &rst iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 424, 425,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   27 LYS   HA     27 LYS   HG-   4.00  (# noech.upl:4.00)
 &rst iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 424, 425,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   27 LYS   HA     27 LYS   QB    2.50  (# noech.upl:2.50)
 &rst iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 421, 422,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   27 LYS   HD+    27 LYS   HG+   2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 427, 428,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 424, 425,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   27 LYS   HD+    27 LYS   HG-   3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 427, 428,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 424, 425,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   27 LYS   HD+    27 LYS   QE    2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 427, 428,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 430, 431,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   27 LYS   HD-    27 LYS   HG+   2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 427, 428,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 424, 425,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   27 LYS   HD-    27 LYS   HG-   3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 427, 428,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 424, 425,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   27 LYS   HD-    27 LYS   QE    2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 427, 428,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 430, 431,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   27 LYS   HG+    27 LYS   QB    2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 424, 425,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 421, 422,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   27 LYS   HG+    27 LYS   QE    3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 424, 425,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 430, 431,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   27 LYS   HG-    27 LYS   QB    2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 424, 425,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 421, 422,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   27 LYS   HG-    27 LYS   QE    3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 424, 425,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 430, 431,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   27 LYS   QB     27 LYS   QE    4.00  (# noech.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 421, 422,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 430, 431,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   27 LYS   H      28 HIS   H     3.00  (# noenh_750.upl:3.00)
 &rst iat= 417, 439, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   27 LYS   HA     28 HIS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 419, 439, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   27 LYS   HG-    28 HIS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 439, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 424, 425,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   27 LYS   QB     28 HIS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1, 439, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 421, 422,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   28 HIS   H      28 HIS   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 439, 441, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   28 HIS   H      28 HIS   HB2   3.00  (# noenh_750.upl:3.00)
 &rst iat= 439, 443, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   28 HIS   H      28 HIS   HB3   4.00  (# noenh_750.upl:4.00)
 &rst iat= 439, 444, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   28 HIS   HA     28 HIS   HB2   3.00  (# noech.upl:3.00)
 &rst iat= 441, 443, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   28 HIS   HA     28 HIS   HB3   3.00  (# noech.upl:3.00)
 &rst iat= 441, 444, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   28 HIS   HB2    28 HIS   HD2   5.00  (# aromatic_750.upl:5.00)
 &rst iat= 443, 452, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   28 HIS   H      29 THR   H     3.00  (# noenh_750.upl:3.00)
 &rst iat= 439, 456, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   28 HIS   H      29 THR   MG2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 439,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 462, 463, 464,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   28 HIS   HB2    29 THR   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 443, 456, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   28 HIS   HB2    29 THR   MG2   4.00  (# noech_750.upl:4.00)
 &rst iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 462, 463, 464,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   28 HIS   HB3    29 THR   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 444, 456, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   28 HIS   HB3    29 THR   MG2   5.00  (# noech_750.upl:5.00)
 &rst iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 462, 463, 464,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   28 LYS   HB2    29 THR   MG2   4.00  (# noech.upl:4.00)
 &rst iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 462, 463, 464,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   28 HIS   H      30 GLY   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 439, 470, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   29 THR   H      29 THR   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 456, 458, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   29 THR   H      29 THR   MG2   3.00  (# noenh_750.upl:3.00)
 &rst iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 462, 463, 464,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   29 THR   HA     29 THR   HB    2.50  (# noech.upl:2.50)
 &rst iat= 458, 460, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   29 THR   HA     29 THR   MG2   2.50  (# noech.upl:2.50,noech_750.upl:3.00)
 &rst iat= 458,  -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 462, 463, 464,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   29 THR   HB     29 THR   MG2   2.50  (# noech.upl:2.50,noech_750.upl:5.00)
 &rst iat= 460,  -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 462, 463, 464,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   29 THR   H      30 GLY   H     3.00  (# noenh_750.upl:3.00)
 &rst iat= 456, 470, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   29 THR   HA     30 GLY   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 458, 470, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   29 THR   H      31 GLU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 456, 477, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   29 THR   HB     31 GLU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 460, 477, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   29 THR   HB     31 GLU   HG+   4.00  (# noech.upl:4.00,noech_750.upl:4.00)
 &rst iat= 460,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 484, 485,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   29 THR   HB     31 GLU   HG-   5.00  (# noech_750.upl:5.00)
 &rst iat= 460,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 484, 485,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   29 THR   MG2    31 GLU   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 477, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 462, 463, 464,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   29 THR   MG2    31 GLU   HB+   5.00  (# noech.upl:5.00,noech_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 462, 463, 464,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 481, 482,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   29 THR   MG2    31 GLU   HG+   5.00  (# noech_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 462, 463, 464,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 484, 485,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   29 THR   MG2    31 GLU   HG-   5.00  (# noech.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 462, 463, 464,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 484, 485,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   30 GLY   H      30 GLY   HA+   4.00  (# noenh_750.upl:4.00)
 &rst iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 472, 473,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   30 GLY   H      30 GLY   HA-   3.00  (# noenh_750.upl:3.00)
 &rst iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 472, 473,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   30 GLY   H      31 GLU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 470, 477, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   30 GLY   HA-    31 GLU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1, 477, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 472, 473,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   31 GLU   H      31 GLU   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 477, 479, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   31 GLU   H      31 GLU   HB+   4.00  (# noenh_750.upl:4.00)
 &rst iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 481, 482,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   31 GLU   H      31 GLU   HG+   4.00  (# noenh_750.upl:4.00)
 &rst iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 484, 485,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   31 GLU   H      31 GLU   HG-   4.00  (# noenh_750.upl:4.00)
 &rst iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 484, 485,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   31 GLU   HA     31 GLU   HB+   2.50  (# noech.upl:2.50,noech_750.upl:3.00)
 &rst iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 481, 482,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   31 GLU   HA     31 GLU   HB-   3.00  (# noech.upl:3.00)
 &rst iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 481, 482,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   31 GLU   HA     31 GLU   HG+   4.00  (# noech.upl:4.00,noech_750.upl:4.00)
 &rst iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 484, 485,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   31 GLU   HA     31 GLU   HG-   3.00  (# noech.upl:3.00,noech_750.upl:4.00)
 &rst iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 484, 485,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   31 GLU   HB+    31 GLU   HG+   2.50  (# noech.upl:2.50,noech_750.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 481, 482,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 484, 485,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   31 GLU   HB+    31 GLU   HG-   3.00  (# noech_750.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 481, 482,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 484, 485,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   31 GLU   HB-    31 GLU   HG+   2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 481, 482,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 484, 485,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   31 GLU   HB-    31 GLU   HG-   2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 481, 482,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 484, 485,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   31 GLU   HA     32 LYS   H     3.00  (# noenh_750.upl:3.00)
 &rst iat= 479, 492, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   31 GLU   HB+    32 LYS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 492, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 481, 482,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   31 GLU   HB+    33 PRO   HD+   5.00  (# noech_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 481, 482,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 515, 516,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   31 GLU   HB+    46 THR   MG2   5.00  (# noech.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 481, 482,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 711, 712, 713,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   H      32 LYS   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 492, 496, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   32 LYS   H      32 LYS   HB3   4.00  (# noenh_750.upl:4.00)
 &rst iat= 492, 497, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   32 LYS   HA     32 LYS   HD+   5.00  (# noech.upl:5.00)
 &rst iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 502, 503,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HA     32 LYS   HG+   3.00  (# noech.upl:3.00)
 &rst iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 499, 500,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HB2    32 LYS   HD+   2.50  (# noech.upl:2.50)
 &rst iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 502, 503,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HB2    32 LYS   HD-   3.00  (# noech.upl:3.00)
 &rst iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 502, 503,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HB2    32 LYS   HG+   2.50  (# noech.upl:2.50)
 &rst iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 499, 500,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HB3    32 LYS   HD-   2.50  (# noech.upl:2.50)
 &rst iat= 497,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 502, 503,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HB3    32 LYS   HE-   3.00  (# noech.upl:3.00)
 &rst iat= 497,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 505, 506,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HB3    32 LYS   HG-   2.50  (# noech.upl:2.50)
 &rst iat= 497,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 499, 500,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HD+    32 LYS   HE+   3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 502, 503,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 505, 506,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HD+    32 LYS   HE-   4.00  (# noech.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 502, 503,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 505, 506,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HD+    32 LYS   HG-   2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 502, 503,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 499, 500,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HD-    32 LYS   HE+   3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 502, 503,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 505, 506,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HE-    32 LYS   HG-   3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 505, 506,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 499, 500,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HA     33 PRO   HD+   3.00  (# noech.upl:3.00,noech_750.upl:4.00)
 &rst iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 515, 516,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HA     33 PRO   HD-   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 515, 516,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HG+    33 PRO   HD-   5.00  (# noech_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 499, 500,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 515, 516,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HG-    33 PRO   HD+   5.00  (# noech_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 499, 500,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 515, 516,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HB2    34 PHE   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 496, 528, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   32 LYS   HB3    34 PHE   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 497, 528, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   32 LYS   HB2    44 GLY   HA-   5.00  (# noech.upl:5.00)
 &rst iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 680, 681,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HB3    44 GLY   HA-   4.00  (# noech.upl:4.00)
 &rst iat= 497,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 680, 681,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HG+    44 GLY   HA-   4.00  (# noech.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 499, 500,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 680, 681,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HA     46 THR   HA    4.00  (# noech_750.upl:4.00)
 &rst iat= 494, 707, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   32 LYS   HA     46 THR   MG2   4.00  (# noech.upl:4.00,noech_750.upl:4.00)
 &rst iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 711, 712, 713,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HE+    46 THR   MG2   4.00  (# noech.upl:4.00,noech_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 505, 506,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 711, 712, 713,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HE-    46 THR   MG2   5.00  (# noech_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 505, 506,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 711, 712, 713,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HG+    46 THR   MG2   5.00  (# noech_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 499, 500,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 711, 712, 713,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HG-    46 THR   MG2   3.00  (# noech.upl:3.00,noech_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 499, 500,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 711, 712, 713,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   QE    102 DG    H3'   5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,1688, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 505, 506,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HA     33 PRO   HB+   3.00  (# noech.upl:3.00)
 &rst iat= 524,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 521, 522,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HA     33 PRO   HB-   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 524,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 521, 522,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HA     33 PRO   HG-   3.00  (# noech.upl:3.00)
 &rst iat= 524,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 518, 519,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HB+    33 PRO   HD-   3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 521, 522,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 515, 516,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HB-    33 PRO   HD+   4.00  (# noech_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 521, 522,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 515, 516,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HB-    33 PRO   HD-   3.00  (# noech.upl:3.00,noech_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 521, 522,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 515, 516,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HB-    33 PRO   HG-   3.00  (# noech_750.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 521, 522,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 518, 519,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HD-    33 PRO   HG-   3.00  (# noech_750.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 515, 516,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 518, 519,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HA     34 PHE   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 524, 528, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   33 PRO   HB+    34 PHE   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 521, 522,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HB-    34 PHE   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 521, 522,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HB-    34 PHE   HD    5.00  (# noech_750.upl:5.00,aromatic_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 521, 522,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 536, 544,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HB-    34 PHE   HE    5.00  (# noech_750.upl:5.00,aromatic_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 521, 522,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 538, 542,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HD-    34 PHE   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 515, 516,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HG-    34 PHE   HD    5.00  (# aromatic_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 518, 519,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 536, 544,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HG-    34 PHE   HE    5.00  (# aromatic_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 518, 519,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 538, 542,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HB+    46 THR   HA    4.00  (# noech_750.upl:4.00)
 &rst iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 521, 522,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HD+    46 THR   HA    3.00  (# noech.upl:3.00,noech_750.upl:4.00)
 &rst iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1= 515, 516,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HD+    46 THR   HB    5.00  (# noech_750.upl:5.00)
 &rst iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 515, 516,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HD+    46 THR   MG2   4.00  (# noech.upl:4.00,noech_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 515, 516,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 711, 712, 713,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HD-    46 THR   HA    4.00  (# noech_750.upl:4.00)
 &rst iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 515, 516,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HD-    46 THR   MG2   3.00  (# noech.upl:4.00,noech_750.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 515, 516,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 711, 712, 713,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HG+    46 THR   MG2   5.00  (# noech_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 518, 519,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 711, 712, 713,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HG-    46 THR   HA    4.00  (# noech.upl:4.00)
 &rst iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 518, 519,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HG-    46 THR   MG2   5.00  (# noech_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 518, 519,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 711, 712, 713,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   34 PHE   H      34 PHE   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 528, 530, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   34 PHE   H      34 PHE   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 528, 532, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   34 PHE   H      34 PHE   HB3   4.00  (# noenh_750.upl:4.00)
 &rst iat= 528, 533, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   34 PHE   H      34 PHE   HD    4.00  (# noenh_750.upl:4.00)
 &rst iat= 528,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 536, 544,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   34 PHE   HA     34 PHE   HB2   5.00  (# noech.upl:5.00)
 &rst iat= 530, 532, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 PHE   HA     34 PHE   HD    4.00  (# aromatic_750.upl:4.00)
 &rst iat= 530,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 536, 544,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   34 PHE   HB2    34 PHE   HD    4.00  (# aromatic_750.upl:4.00)
 &rst iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 536, 544,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   34 PHE   HB3    34 PHE   HD    4.00  (# aromatic_750.upl:4.00)
 &rst iat= 533,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 536, 544,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   34 PHE   H      35 PRO   HD-   5.00  (# noenh_750.upl:5.00)
 &rst iat= 528,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 549, 550,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   34 PHE   HA     35 PRO   HD+   3.00  (# noech.upl:3.00)
 &rst iat= 530,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 549, 550,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   34 PHE   HA     35 PRO   HD-   3.00  (# noech.upl:3.00)
 &rst iat= 530,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 549, 550,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   34 PHE   H      45 PHE   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 528, 685, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   34 PHE   HD     46 THR   HA    5.00  (# noech_750.upl:5.00,aromatic_750.upl:5.00)
 &rst iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 536, 544,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   34 PHE   HD     47 SER   HA    5.00  (# noech_750.upl:5.00,aromatic_750.upl:5.00)
 &rst iat=  -1, 721, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 536, 544,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   34 PHE   HE     47 SER   HA    4.00  (# noech.upl:5.00,noech_750.upl:4.00,aromatic_750.upl:4.00)
 &rst iat=  -1, 721, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 538, 542,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   34 PHE   HD     48 LEU   MDY   4.00  (# noech_750.upl:4.00,aromatic_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 536, 544,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 739, 740, 741, 743, 744, 745,   0,   0,   0,   0,   0,   0,   &end
#
#   34 PHE   HE     48 LEU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1, 730, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 538, 542,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   34 PHE   HE     48 LEU   MDX   5.00  (# aromatic_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1= 538, 542,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 739, 740, 741, 743, 744, 745,   0,   0,   0,   0,   0,   0,   &end
#
#   34 PHE   HE     48 LEU   MDY   4.00  (# noech_750.upl:4.00,aromatic_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 538, 542,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 739, 740, 741, 743, 744, 745,   0,   0,   0,   0,   0,   0,   &end
#
#   34 PHE   HA     51 LEU   MDX   5.00  (# noech.upl:5.00)
 &rst iat= 530,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   34 PHE   HB2    51 LEU   MDX   4.00  (# noech.upl:4.00,noech_750.upl:4.00)
 &rst iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   34 PHE   HB3    51 LEU   MDX   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 533,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   34 PHE   HD     51 LEU   MDX   4.00  (# noech_750.upl:4.00,aromatic_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 536, 544,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   35 PRO   HA     35 PRO   HB+   4.00  (# noech.upl:4.00)
 &rst iat= 558,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 555, 556,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   35 PRO   HA     35 PRO   HB-   4.00  (# noech.upl:4.00)
 &rst iat= 558,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 555, 556,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   35 PRO   HA     35 PRO   HD-   4.00  (# noech.upl:4.00)
 &rst iat= 558,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 549, 550,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   35 PRO   HB+    35 PRO   HG-   3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 555, 556,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 552, 553,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   35 PRO   HD+    35 PRO   HG-   3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 549, 550,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 552, 553,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   35 PRO   HD-    35 PRO   HG-   3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 549, 550,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 552, 553,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   35 PRO   HA     36 CYS   H     3.00  (# noenh_750.upl:3.00)
 &rst iat= 558, 562, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   35 PRO   HB+    36 CYS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 555, 556,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   35 PRO   HB-    36 CYS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 555, 556,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   35 PRO   HA     44 GLY   HA+   3.00  (# noech.upl:3.00)
 &rst iat= 558,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 680, 681,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   35 PRO   HA     44 GLY   HA-   4.00  (# noech.upl:4.00)
 &rst iat= 558,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 680, 681,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   36 CYS   H      36 CYS   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 562, 564, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   36 CYS   H      36 CYS   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 562, 566, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   36 CYS   H      36 CYS   HB3   3.00  (# noenh_750.upl:3.00)
 &rst iat= 562, 567, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   36 CYS   HA     36 CYS   HB2   3.00  (# noech.upl:3.00)
 &rst iat= 564, 566, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   36 CYS   HA     36 CYS   HB3   3.00  (# noech.upl:3.00)
 &rst iat= 564, 567, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   36 CYS   HA     37 LYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 564, 572, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   36 CYS   HB2    37 LYS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 566, 572, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 CYS   HB3    38 GLU   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 567, 594, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 CYS   H      42 GLU   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 562, 643, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   36 CYS   H      43 LYS   HB2   5.00  (# noenh_750.upl:5.00)
 &rst iat= 562, 660, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 CYS   HB2    43 LYS   HB3   4.00  (# noech.upl:4.00)
 &rst iat= 566, 661, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   36 CYS   HB3    43 LYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 567, 656, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   36 CYS   HB3    43 LYS   HB2   4.00  (# noech.upl:4.00)
 &rst iat= 567, 660, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   36 CYS   HB3    43 LYS   HG+   5.00  (# noech_750.upl:5.00)
 &rst iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 663, 664,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   36 CYS   H      44 GLY   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 562, 678, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 CYS   H      44 GLY   HA+   5.00  (# noenh_750.upl:5.00)
 &rst iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 680, 681,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   36 CYS   H      44 GLY   HA-   4.00  (# noenh_750.upl:4.00)
 &rst iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 680, 681,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   36 CYS   H      51 LEU   MDY   4.00  (# noenh_750.upl:4.00)
 &rst iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   36 CYS   HA     51 LEU   MDX   4.00  (# noech.upl:4.00,noech_750.upl:4.00)
 &rst iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   36 CYS   HA     51 LEU   MDY   3.00  (# noech.upl:3.00)
 &rst iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   36 CYS   HB2    51 LEU   MDY   4.00  (# noech.upl:4.00)
 &rst iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   36 CYS   HB3    51 LEU   MDY   5.00  (# noech.upl:5.00)
 &rst iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   36 CYS   HB2    54 HIS   HD2   5.00  (# aromatic_750.upl:5.00)
 &rst iat= 566, 854, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 CYS   HB3    54 HIS   HD2   5.00  (# aromatic_750.upl:5.00)
 &rst iat= 567, 854, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   37 LYS   H      37 LYS   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 572, 576, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   37 LYS   H      37 LYS   HB3   4.00  (# noenh_750.upl:4.00)
 &rst iat= 572, 577, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   37 LYS   H      37 LYS   HG+   3.00  (# noenh_750.upl:3.00)
 &rst iat= 572,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 579, 580,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   37 LYS   HA     37 LYS   HB2   3.00  (# noech.upl:3.00)
 &rst iat= 574, 576, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   37 LYS   HA     37 LYS   HB3   3.00  (# noech.upl:3.00)
 &rst iat= 574, 577, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   37 LYS   HA     37 LYS   HG+   3.00  (# noech.upl:3.00)
 &rst iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 579, 580,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   37 LYS   HA     37 LYS   HG-   3.00  (# noech.upl:3.00)
 &rst iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 579, 580,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   37 LYS   HA     37 LYS   QD    3.00  (# noech.upl:3.00)
 &rst iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 582, 583,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   37 LYS   HB2    37 LYS   HG+   2.50  (# noech.upl:2.50)
 &rst iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 579, 580,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   37 LYS   HB2    37 LYS   HG-   2.50  (# noech.upl:2.50)
 &rst iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 579, 580,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   37 LYS   HB3    37 LYS   HG+   3.00  (# noech.upl:3.00)
 &rst iat= 577,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 579, 580,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   37 LYS   HB3    37 LYS   HG-   3.00  (# noech.upl:3.00)
 &rst iat= 577,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 579, 580,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   37 LYS   HG+    37 LYS   QD    2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 579, 580,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 582, 583,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   37 LYS   HG+    37 LYS   QE    3.00  (# noech.upl:3.00,noech_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 579, 580,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 585, 586,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   37 LYS   HG-    37 LYS   QE    3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 579, 580,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 585, 586,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   37 LYS   QD     37 LYS   QE    2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 582, 583,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 585, 586,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   37 LYS   H      38 GLU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 572, 594, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   37 LYS   HA     38 GLU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 574, 594, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   37 LYS   HB3    38 GLU   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 577, 594, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   38 GLU   H      38 GLU   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 594, 596, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   38 GLU   H      38 GLU   HB+   4.00  (# noenh_750.upl:4.00)
 &rst iat= 594,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 598, 599,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   38 GLU   H      38 GLU   HB-   4.00  (# noenh_750.upl:4.00)
 &rst iat= 594,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 598, 599,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   38 GLU   H      38 GLU   HG-   5.00  (# noenh_750.upl:5.00)
 &rst iat= 594,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 601, 602,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   38 GLU   HA     38 GLU   HB+   4.00  (# noech.upl:4.00)
 &rst iat= 596,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 598, 599,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   38 GLU   HA     38 GLU   HB-   3.00  (# noech.upl:3.00)
 &rst iat= 596,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 598, 599,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   38 GLU   HA     38 GLU   HG+   3.00  (# noech.upl:3.00)
 &rst iat= 596,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 601, 602,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   38 GLU   HA     38 GLU   HG-   4.00  (# noech.upl:4.00)
 &rst iat= 596,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 601, 602,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   38 GLU   HB-    38 GLU   HG+   2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 598, 599,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 601, 602,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   38 GLU   HB-    38 GLU   HG-   2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 598, 599,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 601, 602,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   38 GLU   HA     39 GLU   H     3.00  (# noenh_750.upl:3.00)
 &rst iat= 596, 609, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   38 GLU   HB+    39 GLU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1, 609, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 598, 599,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   38 GLU   HB-    39 GLU   HA    5.00  (# noech.upl:5.00)
 &rst iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 598, 599,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   38 GLU   HG-    39 GLU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1, 609, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 601, 602,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   38 GLU   HB+    41 CYS   HB2   4.00  (# noech_750.upl:4.00)
 &rst iat=  -1, 635, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 598, 599,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   38 GLU   HB-    41 CYS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 631, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 598, 599,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   38 GLU   HB+    42 GLU   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 598, 599,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   39 GLU   H      39 GLU   HB+   4.00  (# noenh_750.upl:4.00)
 &rst iat= 609,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 613, 614,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   39 GLU   H      39 GLU   QG    4.00  (# noenh_750.upl:4.00)
 &rst iat= 609,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 616, 617,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   39 GLU   HA     39 GLU   HB+   2.50  (# noech.upl:2.50,noech_750.upl:3.00)
 &rst iat= 611,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 613, 614,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   39 GLU   HA     39 GLU   QG    3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 611,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 616, 617,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   39 GLU   HB+    39 GLU   QG    2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 613, 614,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 616, 617,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   39 GLU   HB-    39 GLU   QG    2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 613, 614,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 616, 617,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   39 GLU   H      40 GLY   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 609, 624, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 GLU   HA     40 GLY   H     3.00  (# noenh_750.upl:3.00)
 &rst iat= 611, 624, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   39 GLU   HB+    40 GLY   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 613, 614,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   39 GLU   HA     41 CYS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 611, 631, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   40 GLY   H      40 GLY   HA+   5.00  (# noenh_750.upl:5.00)
 &rst iat= 624,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 626, 627,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   40 GLY   H      40 GLY   HA-   4.00  (# noenh_750.upl:4.00)
 &rst iat= 624,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 626, 627,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   40 GLY   H      41 CYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 624, 631, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   40 GLY   HA+    41 CYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1, 631, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 626, 627,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   40 GLY   HA-    41 CYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1, 631, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 626, 627,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   41 CYS   H      41 CYS   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 631, 633, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   41 CYS   H      41 CYS   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 631, 635, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   41 CYS   H      41 CYS   HB3   3.00  (# noenh_750.upl:3.00)
 &rst iat= 631, 636, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   41 CYS   HA     41 CYS   HB2   3.00  (# noech.upl:3.00)
 &rst iat= 633, 635, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   41 CYS   HA     41 CYS   HB3   4.00  (# noech.upl:4.00)
 &rst iat= 633, 636, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   41 CYS   HA     42 GLU   H     3.00  (# noenh_750.upl:3.00)
 &rst iat= 633, 641, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   41 CYS   HB2    42 GLU   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 635, 641, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   41 CYS   HB2    58 HIS   HE1   5.00  (# aromatic_750.upl:5.00)
 &rst iat= 635, 912, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   41 CYS   HB3    58 HIS   HE1   5.00  (# aromatic_750.upl:5.00)
 &rst iat= 636, 912, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   42 GLU   H      42 GLU   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 641, 643, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   42 GLU   H      42 GLU   HB3   4.00  (# noenh_750.upl:4.00)
 &rst iat= 641, 646, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   42 GLU   H      42 GLU   QG    4.00  (# noenh_750.upl:4.00)
 &rst iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 648, 649,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   42 GLU   HA     42 GLU   HB2   3.00  (# noech.upl:3.00)
 &rst iat= 643, 645, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   42 GLU   HA     42 GLU   HB3   3.00  (# noech.upl:3.00)
 &rst iat= 643, 646, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   42 GLU   HA     42 GLU   HG+   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 648, 649,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   42 GLU   HA     42 GLU   HG-   3.00  (# noech_750.upl:3.00)
 &rst iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 648, 649,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   42 GLU   HA     42 GLU   QG    2.50  (# noech.upl:2.50)
 &rst iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 648, 649,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   42 GLU   HB2    42 GLU   QG    2.50  (# noech.upl:2.50)
 &rst iat= 645,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 648, 649,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   42 GLU   H      43 LYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 641, 656, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   42 GLU   HA     43 LYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 643, 656, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   43 LYS   H      43 LYS   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 656, 658, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   43 LYS   H      43 LYS   HB2   3.00  (# noenh_750.upl:3.00)
 &rst iat= 656, 660, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   43 LYS   H      43 LYS   HB3   4.00  (# noenh_750.upl:4.00)
 &rst iat= 656, 661, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   43 LYS   H      43 LYS   HG+   4.00  (# noenh_750.upl:4.00)
 &rst iat= 656,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 663, 664,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   43 LYS   HA     43 LYS   HB2   4.00  (# noech.upl:4.00)
 &rst iat= 658, 660, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   43 LYS   HA     43 LYS   HB3   3.00  (# noech.upl:3.00)
 &rst iat= 658, 661, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   43 LYS   HA     43 LYS   HG+   4.00  (# noech.upl:4.00)
 &rst iat= 658,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 663, 664,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   43 LYS   HA     43 LYS   HG-   4.00  (# noech.upl:4.00)
 &rst iat= 658,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 663, 664,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   43 LYS   HA     43 LYS   QD    5.00  (# noech.upl:5.00)
 &rst iat= 658,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 666, 667,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   43 LYS   HB3    43 LYS   HG+   2.50  (# noech.upl:2.50)
 &rst iat= 661,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 663, 664,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   43 LYS   HB3    43 LYS   HG-   2.50  (# noech.upl:2.50)
 &rst iat= 661,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 663, 664,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   43 LYS   HB3    43 LYS   QE    5.00  (# noech.upl:5.00)
 &rst iat= 661,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 669, 670,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   43 LYS   HD-    43 LYS   HG-   2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 666, 667,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 663, 664,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   43 LYS   HD-    43 LYS   QE    2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 666, 667,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 669, 670,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   43 LYS   HG+    43 LYS   QE    3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 663, 664,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 669, 670,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   43 LYS   HG-    43 LYS   QE    4.00  (# noech.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 663, 664,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 669, 670,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   43 LYS   HA     44 GLY   H     3.00  (# noenh_750.upl:3.00)
 &rst iat= 658, 678, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   43 LYS   HB2    44 GLY   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 660, 678, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   43 LYS   HB3    44 GLY   H     3.00  (# noenh_750.upl:3.00)
 &rst iat= 661, 678, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   43 LYS   HA     45 PHE   HE    5.00  (# aromatic_750.upl:5.00)
 &rst iat= 658,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 695, 699,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   43 LYS   HB3    45 PHE   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 661, 685, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   43 LYS   HG-    54 HIS   HD2   4.00  (# noech_750.upl:4.00)
 &rst iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 663, 664,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   43 LYS   HG-    54 HIS   HE1   4.00  (# noech_750.upl:4.00)
 &rst iat=  -1, 851, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 663, 664,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   43 LYS   QE    101 DT    Q5'   5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 669, 670,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1633,1634,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   44 GLY   H      44 GLY   HA+   4.00  (# noenh_750.upl:4.00)
 &rst iat= 678,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 680, 681,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   44 GLY   H      44 GLY   HA-   3.00  (# noenh_750.upl:3.00)
 &rst iat= 678,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 680, 681,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   44 GLY   H      45 PHE   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 678, 685, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   44 GLY   HA+    45 PHE   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 680, 681,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   44 GLY   HA-    45 PHE   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 680, 681,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   45 PHE   H      45 PHE   HA    5.00  (# noenh_750.upl:5.00)
 &rst iat= 685, 687, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   45 PHE   H      45 PHE   HB2   5.00  (# noenh_750.upl:5.00)
 &rst iat= 685, 689, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   45 PHE   HA     45 PHE   HB2   5.00  (# noech.upl:5.00)
 &rst iat= 687, 689, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   45 PHE   HA     45 PHE   HB3   4.00  (# noech.upl:4.00)
 &rst iat= 687, 690, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   45 PHE   HA     45 PHE   HD    4.00  (# noech.upl:4.00,aromatic_750.upl:4.00)
 &rst iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 693, 701,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   45 PHE   HB2    45 PHE   HD    5.00  (# aromatic_750.upl:5.00)
 &rst iat= 689,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 693, 701,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   45 PHE   HB3    45 PHE   HD    4.00  (# aromatic_750.upl:4.00)
 &rst iat= 690,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 693, 701,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   45 PHE   HA     46 THR   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 687, 705, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   45 PHE   HA     46 THR   MG2   5.00  (# noech.upl:5.00,noech_750.upl:5.00)
 &rst iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 711, 712, 713,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   45 PHE   HB3    46 THR   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 690, 705, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   45 PHE   HB2    47 SER   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 689, 719, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   45 PHE   HB3    47 SER   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 690, 719, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   45 PHE   HA     51 LEU   MDY   5.00  (# noech.upl:5.00)
 &rst iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   45 PHE   HB2    51 LEU   HB2   5.00  (# noech.upl:5.00)
 &rst iat= 689, 788, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   45 PHE   HB2    51 LEU   MDY   5.00  (# noech.upl:5.00)
 &rst iat= 689,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   45 PHE   HB3    51 LEU   MDY   5.00  (# noech.upl:5.00)
 &rst iat= 690,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   45 PHE   HD     51 LEU   MDY   4.00  (# noech.upl:5.00,aromatic_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 693, 701,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   45 PHE   HD    101 DT    H3'   5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,1655, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 693, 701,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   45 PHE   HE    101 DT    H3'   5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,1655, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 695, 699,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   45 PHE   HZ    101 DT    H3'   4.50  (# sfnoe.upl:4.50)
 &rst iat= 697,1655, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   46 THR   H      46 THR   MG2   5.00  (# noenh_750.upl:5.00)
 &rst iat= 705,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 711, 712, 713,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   46 THR   HA     46 THR   HB    3.00  (# noech.upl:4.00,noech_750.upl:3.00)
 &rst iat= 707, 709, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   46 THR   HA     46 THR   MG2   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 707,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 711, 712, 713,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   46 THR   HB     46 THR   MG2   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 709,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 711, 712, 713,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   46 THR   H      47 SER   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 705, 719, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   46 THR   HA     47 SER   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 707, 719, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   46 THR   HA     47 SER   HB3   5.00  (# noech.upl:5.00)
 &rst iat= 707, 724, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   47 SER   H      47 SER   HB2   5.00  (# noenh_750.upl:5.00)
 &rst iat= 719, 723, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   47 SER   HA     47 SER   HB2   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 721, 723, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   47 SER   HA     47 SER   HB3   3.00  (# noech.upl:3.00,noech_750.upl:4.00)
 &rst iat= 721, 724, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   47 SER   H      48 LEU   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 719, 730, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   47 SER   HA     48 LEU   H     3.00  (# noenh_750.upl:3.00)
 &rst iat= 721, 730, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   47 SER   HB2    48 LEU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 723, 730, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   47 SER   HB3    48 LEU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 724, 730, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   48 LEU   H      48 LEU   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 730, 732, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   48 LEU   H      48 LEU   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 730, 734, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   48 LEU   H      48 LEU   HB3   3.00  (# noenh_750.upl:3.00)
 &rst iat= 730, 735, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   48 LEU   H      48 LEU   MDX   4.00  (# noenh_750.upl:4.00)
 &rst iat= 730,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 739, 740, 741, 743, 744, 745,   0,   0,   0,   0,   0,   0,   &end
#
#   48 LEU   HA     48 LEU   HB2   3.00  (# noech.upl:3.00)
 &rst iat= 732, 734, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   48 LEU   HA     48 LEU   HB3   4.00  (# noech.upl:4.00)
 &rst iat= 732, 735, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   48 LEU   HA     48 LEU   MDX   5.00  (# noech.upl:5.00)
 &rst iat= 732,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 739, 740, 741, 743, 744, 745,   0,   0,   0,   0,   0,   0,   &end
#
#   48 LEU   HA     48 LEU   MDY   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 732,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 739, 740, 741, 743, 744, 745,   0,   0,   0,   0,   0,   0,   &end
#
#   48 LEU   HB2    48 LEU   HG    3.00  (# noech.upl:3.00)
 &rst iat= 734, 737, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   48 LEU   HB2    48 LEU   MDX   3.00  (# noech.upl:3.00)
 &rst iat= 734,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 739, 740, 741, 743, 744, 745,   0,   0,   0,   0,   0,   0,   &end
#
#   48 LEU   HB2    48 LEU   MDY   2.50  (# noech.upl:2.50)
 &rst iat= 734,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 739, 740, 741, 743, 744, 745,   0,   0,   0,   0,   0,   0,   &end
#
#   48 LEU   HB3    48 LEU   HG    3.00  (# noech.upl:3.00)
 &rst iat= 735, 737, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   48 LEU   HB3    48 LEU   MDX   3.00  (# noech.upl:3.00)
 &rst iat= 735,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 739, 740, 741, 743, 744, 745,   0,   0,   0,   0,   0,   0,   &end
#
#   48 LEU   HB3    48 LEU   MDY   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 735,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 739, 740, 741, 743, 744, 745,   0,   0,   0,   0,   0,   0,   &end
#
#   48 LEU   HG     48 LEU   MDX   3.00  (# noech.upl:3.00)
 &rst iat= 737,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 739, 740, 741, 743, 744, 745,   0,   0,   0,   0,   0,   0,   &end
#
#   48 LEU   HG     48 LEU   MDY   2.50  (# noech.upl:2.50)
 &rst iat= 737,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 739, 740, 741, 743, 744, 745,   0,   0,   0,   0,   0,   0,   &end
#
#   48 LEU   H      49 HIS   HB+   5.00  (# noenh_750.upl:5.00)
 &rst iat= 730,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 753, 754,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   48 LEU   HG     49 HIS   HB-   5.00  (# noech_750.upl:5.00)
 &rst iat= 737,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 753, 754,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   48 LEU   HA     51 LEU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 732, 784, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   48 LEU   HA     51 LEU   MDX   4.00  (# noech.upl:4.00,noech_750.upl:4.00)
 &rst iat= 732,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   48 LEU   MDX    51 LEU   MDX   5.00  (# noech.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 739, 740, 741, 743, 744, 745,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   48 LEU   MDX    51 LEU   MDY   5.00  (# noech.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 739, 740, 741, 743, 744, 745,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   48 LEU   MDY    51 LEU   HB3   3.00  (# noech.upl:5.00,noech_750.upl:3.00)
 &rst iat=  -1, 789, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 739, 740, 741, 743, 744, 745,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   48 LEU   MDY    51 LEU   MDX   3.00  (# noech.upl:3.00,noech.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 739, 740, 741, 743, 744, 745,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   48 LEU   MDY    51 LEU   MDY   5.00  (# noech.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 739, 740, 741, 743, 744, 745,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   48 LEU   MDY    52 THR   HA    5.00  (# noech_750.upl:5.00)
 &rst iat=  -1, 805, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 739, 740, 741, 743, 744, 745,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   49 HIS   HA     49 HIS   HB+   4.00  (# noech.upl:4.00,noech_750.upl:5.00,aromatic_750.upl:5.00)
 &rst iat= 751,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 753, 754,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   49 HIS   HA     49 HIS   HB-   4.00  (# noech_750.upl:4.00,aromatic_750.upl:5.00)
 &rst iat= 751,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 753, 754,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   49 HIS   HA    116 DT    H7    5.00  (# sfnoe.upl:5.00)
 &rst iat= 751,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2123,2124,2125,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   49 HIS   HB2   116 DT    H7    3.50  (# sfnoe.upl:3.50)
 &rst iat= 753,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2123,2124,2125,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   49 HIS   HB3   116 DT    H7    3.50  (# sfnoe.upl:3.50)
 &rst iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2123,2124,2125,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   49 HIS   HD2   116 DT    H7    4.50  (# sfnoe.upl:4.50)
 &rst iat= 762,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2123,2124,2125,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   49 HIS   HD2   117 DC    H5    5.00  (# sfnoe.upl:5.00)
 &rst iat= 762,2154, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   51 LEU   H      51 LEU   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 784, 786, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   51 LEU   H      51 LEU   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 784, 788, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   51 LEU   H      51 LEU   HB3   4.00  (# noenh_750.upl:4.00)
 &rst iat= 784, 789, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   51 LEU   H      51 LEU   MDX   4.00  (# noenh_750.upl:4.00)
 &rst iat= 784,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   51 LEU   HA     51 LEU   HB2   4.00  (# noech.upl:4.00)
 &rst iat= 786, 788, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   51 LEU   HA     51 LEU   HG    4.00  (# noech.upl:4.00)
 &rst iat= 786, 791, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   51 LEU   HA     51 LEU   MDX   4.00  (# noech.upl:4.00,noech_750.upl:4.00)
 &rst iat= 786,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   51 LEU   HA     51 LEU   MDY   3.00  (# noech.upl:3.00)
 &rst iat= 786,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   51 LEU   HB2    51 LEU   MDX   3.00  (# noech.upl:3.00)
 &rst iat= 788,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   51 LEU   HB2    51 LEU   MDY   2.50  (# noech.upl:2.50)
 &rst iat= 788,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   51 LEU   HB3    51 LEU   HG    3.00  (# noech.upl:3.00)
 &rst iat= 789, 791, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   51 LEU   HB3    51 LEU   MDX   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 789,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   51 LEU   HG     51 LEU   MDX   2.50  (# noech.upl:2.50,noech_750.upl:3.00)
 &rst iat= 791,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   51 LEU   HG     51 LEU   MDY   2.50  (# noech.upl:2.50)
 &rst iat= 791,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   51 LEU   H      52 THR   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 784, 803, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   51 LEU   HB2    52 THR   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 788, 803, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   51 LEU   HB3    52 THR   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 789, 803, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   51 LEU   HG     52 THR   HA    5.00  (# noech_750.upl:5.00)
 &rst iat= 791, 805, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   51 LEU   MDX    52 THR   HA    5.00  (# noech.upl:5.00)
 &rst iat=  -1, 805, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   51 LEU   HA     54 HIS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 786, 841, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   51 LEU   HA     54 HIS   HB3   5.00  (# noech.upl:5.00)
 &rst iat= 786, 846, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   51 LEU   HA     54 HIS   HD2   5.00  (# aromatic_750.upl:5.00)
 &rst iat= 786, 854, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   51 LEU   MDX    54 HIS   HD2   5.00  (# noech_750.upl:5.00)
 &rst iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   51 LEU   MDY    54 HIS   HB3   5.00  (# noech.upl:5.00)
 &rst iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   51 LEU   MDY    54 HIS   HD    3.00  (# aromatic_750.upl:3.00)
 &rst iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   51 LEU   MDX    55 SER   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 858, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   52 THR   H      52 THR   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 803, 805, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   52 THR   H      52 THR   HB    4.00  (# noenh_750.upl:4.00)
 &rst iat= 803, 807, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   52 THR   H      52 THR   MG2   5.00  (# noenh_750.upl:5.00)
 &rst iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 809, 810, 811,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   52 THR   HA     52 THR   HB    3.00  (# noech.upl:3.00,noech_750.upl:4.00)
 &rst iat= 805, 807, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   52 THR   HA     52 THR   MG2   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 805,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 809, 810, 811,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   52 THR   HB     52 THR   MG2   2.50  (# noech.upl:2.50)
 &rst iat= 807,  -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 809, 810, 811,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   52 THR   H      53 ARG   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 803, 817, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   52 THR   HB     53 ARG   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 807, 817, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   52 THR   HA     55 SER   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 805, 858, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   53 ARG   H      53 ARG   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 817, 819, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   53 ARG   H      53 ARG   HB+   4.00  (# noenh_750.upl:4.00)
 &rst iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 821, 822,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   53 ARG   H      53 ARG   HB-   3.00  (# noenh_750.upl:3.00)
 &rst iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 821, 822,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   53 ARG   HA     53 ARG   HB-   2.50  (# noech.upl:2.50)
 &rst iat= 819,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 821, 822,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   53 ARG   HA     53 ARG   HG-   4.00  (# noech_750.upl:4.00)
 &rst iat= 819,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 824, 825,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   53 ARG   HB+    53 ARG   HD-   5.00  (# noech_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 821, 822,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 827, 828,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   53 ARG   HB-    53 ARG   HD+   4.00  (# noech_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 821, 822,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 827, 828,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   53 ARG   HB-    53 ARG   HG+   2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 821, 822,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 824, 825,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   53 ARG   HB-    53 ARG   HG-   3.00  (# noech.upl:3.00,noech_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 821, 822,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 824, 825,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   53 ARG   HD+    53 ARG   HG-   4.00  (# noech_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 827, 828,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 824, 825,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   53 ARG   H      54 HIS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 817, 841, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   53 ARG   HB+    54 HIS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 841, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 821, 822,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   53 ARG   HB-    54 HIS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 841, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 821, 822,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   53 ARG   HG-    54 HIS   HB2   5.00  (# noech_750.upl:5.00)
 &rst iat=  -1, 845, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 824, 825,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   53 LEU   HA     54 HIS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 819, 841, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   53 ARG   HA     56 LEU   HG    5.00  (# noech_750.upl:5.00)
 &rst iat= 819, 876, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   53 ARG   HA     56 LEU   MDY   5.00  (# noech_750.upl:5.00)
 &rst iat= 819,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 878, 879, 880, 882, 883, 884,   0,   0,   0,   0,   0,   0,   &end
#
#   53 ARG   HB-    77 THR   HB    5.00  (# noech.upl:5.00)
 &rst iat=  -1,1180, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 821, 822,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   53 ARG   HB-    77 THR   MG2   3.00  (# noech_750.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 821, 822,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1182,1183,1184,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   53 ARG   HD+    77 THR   MG2   5.00  (# noech.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 827, 828,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1182,1183,1184,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   53 ARG   HD-    77 THR   MG    5.00  (# noech.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 827, 828,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1182,1183,1184,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   53 ARG   HD2    77 THR   MG2   4.00  (# noech_750.upl:4.00)
 &rst iat= 827,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1182,1183,1184,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   53 ARG   HD3    77 THR   MG2   4.00  (# noech_750.upl:4.00)
 &rst iat= 828,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1182,1183,1184,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   53 ARG   HG+    77 THR   MG2   4.00  (# noech_750.upl:4.00,noech_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 824, 825,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1182,1183,1184,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   53 ARG   HG-    77 THR   MG2   5.00  (# noech_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 824, 825,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1182,1183,1184,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   53 ARG   HD+   101 DT    H7    3.50  (# sfnoe.upl:3.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 827, 828,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1645,1646,1647,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   53 ARG   HD-   101 DT    H7    5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 827, 828,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1645,1646,1647,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   54 HIS   H      54 HIS   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 841, 843, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   54 HIS   H      54 HIS   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 841, 845, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   54 HIS   H      54 HIS   HB3   4.00  (# noenh_750.upl:4.00)
 &rst iat= 841, 846, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   54 HIS   HA     54 HIS   HB2   3.00  (# noech.upl:3.00)
 &rst iat= 843, 845, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   54 HIS   H      55 SER   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 841, 858, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   54 HIS   HB3    55 SER   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 846, 858, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   54 HIS   HA     57 THR   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 843, 888, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   54 HIS   HA     57 THR   MG2   3.00  (# noech.upl:3.00)
 &rst iat= 843,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 894, 895, 896,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   55 SER   H      55 SER   HA    3.00  (# noenh_750.upl:3.00)
 &rst iat= 858, 860, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   55 SER   H      56 LEU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 858, 869, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   55 SER   HA     56 LEU   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 860, 869, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   55 SER   QB     56 LEU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1, 869, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 862, 863,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   55 SER   H      57 THR   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 858, 888, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   55 SER   HA     58 HIS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 860, 902, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   55 SER   HA     58 HIS   HD2   5.00  (# aromatic_750.upl:5.00)
 &rst iat= 860, 915, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   55 SER   QB     58 HIS   HD2   4.00  (# noech.upl:4.00,aromatic_750.upl:4.00)
 &rst iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 862, 863,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   56 LEU   H      56 LEU   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 869, 871, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   56 LEU   H      56 LEU   HB2   3.00  (# noenh_750.upl:3.00)
 &rst iat= 869, 873, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   56 LEU   H      56 LEU   HB3   4.00  (# noenh_750.upl:4.00)
 &rst iat= 869, 874, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   56 LEU   H      56 LEU   MDX   5.00  (# noenh_750.upl:5.00)
 &rst iat= 869,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 878, 879, 880, 882, 883, 884,   0,   0,   0,   0,   0,   0,   &end
#
#   56 LEU   H      56 LEU   MDY   5.00  (# noenh_750.upl:5.00)
 &rst iat= 869,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 878, 879, 880, 882, 883, 884,   0,   0,   0,   0,   0,   0,   &end
#
#   56 LEU   HA     56 LEU   HB2   4.00  (# noech.upl:4.00)
 &rst iat= 871, 873, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   56 LEU   HA     56 LEU   HB3   4.00  (# noech.upl:4.00)
 &rst iat= 871, 874, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   56 LEU   HA     56 LEU   HG    4.00  (# noech.upl:4.00,noech_750.upl:4.00)
 &rst iat= 871, 876, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   56 LEU   HA     56 LEU   MDX   4.00  (# noech.upl:4.00)
 &rst iat= 871,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 878, 879, 880, 882, 883, 884,   0,   0,   0,   0,   0,   0,   &end
#
#   56 LEU   HA     56 LEU   MDY   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 871,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 878, 879, 880, 882, 883, 884,   0,   0,   0,   0,   0,   0,   &end
#
#   56 LEU   HB2    56 LEU   MDX   2.50  (# noech.upl:2.50)
 &rst iat= 873,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 878, 879, 880, 882, 883, 884,   0,   0,   0,   0,   0,   0,   &end
#
#   56 LEU   HB2    56 LEU   MDY   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 873,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 878, 879, 880, 882, 883, 884,   0,   0,   0,   0,   0,   0,   &end
#
#   56 LEU   HB3    56 LEU   HG    3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 874, 876, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   56 LEU   HB3    56 LEU   MDX   2.50  (# noech.upl:2.50)
 &rst iat= 874,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 878, 879, 880, 882, 883, 884,   0,   0,   0,   0,   0,   0,   &end
#
#   56 LEU   HB3    56 LEU   MDY   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 874,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 878, 879, 880, 882, 883, 884,   0,   0,   0,   0,   0,   0,   &end
#
#   56 LEU   HG     56 LEU   MDX   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 876,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 878, 879, 880, 882, 883, 884,   0,   0,   0,   0,   0,   0,   &end
#
#   56 LEU   HG     56 LEU   MDY   2.50  (# noech.upl:2.50,noech_750.upl:3.00)
 &rst iat= 876,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 878, 879, 880, 882, 883, 884,   0,   0,   0,   0,   0,   0,   &end
#
#   56 LEU   H      57 THR   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 869, 888, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   56 LEU   H      57 THR   MG2   5.00  (# noenh_750.upl:5.00)
 &rst iat= 869,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 894, 895, 896,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   56 LEU   HA     57 THR   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 871, 888, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   56 LEU   HB2    57 THR   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 873, 888, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   56 LEU   HA     59 THR   MG2   4.00  (# noech.upl:4.00)
 &rst iat= 871,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 925, 926, 927,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   56 LEU   HA     61 GLU   HB3   5.00  (# noech_750.upl:5.00)
 &rst iat= 871, 945, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   56 LEU   HA     61 GLU   HG-   4.00  (# noech.upl:4.00)
 &rst iat= 871,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 947, 948,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   56 LEU   MDY    61 GLU   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 940, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 878, 879, 880, 882, 883, 884,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   56 LEU   MDY    61 GLU   HA    5.00  (# noech.upl:5.00)
 &rst iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 878, 879, 880, 882, 883, 884,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   56 LEU   MDY    61 GLU   HB2   3.00  (# noech.upl:3.00,noech_750.upl:4.00)
 &rst iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 878, 879, 880, 882, 883, 884,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   56 LEU   MDY    61 GLU   HB3   4.00  (# noech_750.upl:4.00)
 &rst iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 878, 879, 880, 882, 883, 884,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   56 LEU   MDY    61 GLU   HG-   4.00  (# noech.upl:4.00,noech_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 878, 879, 880, 882, 883, 884,   0,   0,   0,   0,   0,   0,
 igr2= 947, 948,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   56 LEU   HB3    76 THR   HA    5.00  (# noech_750.upl:5.00)
 &rst iat= 874,1164, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   56 LEU   MDX    76 THR   HB    5.00  (# noech.upl:5.00)
 &rst iat=  -1,1166, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 878, 879, 880, 882, 883, 884,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   56 LEU   MDY    76 THR   HA    4.00  (# noech_750.upl:4.00)
 &rst iat=  -1,1164, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 878, 879, 880, 882, 883, 884,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   56 LEU   HG     77 THR   MG2   5.00  (# noech_750.upl:5.00)
 &rst iat= 876,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1182,1183,1184,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   56 LEU   MDY    77 THR   HB    5.00  (# noech_750.upl:5.00)
 &rst iat=  -1,1180, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 878, 879, 880, 882, 883, 884,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   57 THR   H      57 THR   HA    3.00  (# noenh_750.upl:3.00)
 &rst iat= 888, 890, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   57 THR   H      57 THR   HB    4.00  (# noenh_750.upl:4.00)
 &rst iat= 888, 892, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   57 THR   H      57 THR   MG2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 894, 895, 896,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   57 THR   HA     57 THR   HB    2.50  (# noech.upl:2.50)
 &rst iat= 890, 892, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   57 THR   HA     57 THR   MG2   2.50  (# noech.upl:2.50,noech_750.upl:4.00)
 &rst iat= 890,  -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 894, 895, 896,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   57 THR   HB     57 THR   MG2   3.00  (# noech.upl:3.00)
 &rst iat= 892,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 894, 895, 896,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   57 THR   H      58 HIS   H     3.00  (# noenh_750.upl:3.00)
 &rst iat= 888, 902, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   57 THR   HB     58 HIS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 892, 902, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   57 THR   MG2    58 HIS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 902, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 894, 895, 896,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   57 THR   HA     76 THR   MG2   5.00  (# noech_750.upl:5.00)
 &rst iat= 890,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1168,1169,1170,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   57 THR   MG2    76 THR   HB    5.00  (# noech_750.upl:5.00)
 &rst iat=  -1,1166, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 894, 895, 896,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   57 THR   MG2    99 DG    H2'2  6.00  (# sfnoe.upl:6.0)
 &rst iat=  -1,1594, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 894, 895, 896,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   57 THR   HB    100 DA    H3'   5.00  (# sfnoe.upl:5.00)
 &rst iat= 892,1623, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   57 THR   MG2   100 DA    H1'   6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,1607, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 894, 895, 896,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   57 THR   MG2   100 DA    H2'1  5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,1625, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 894, 895, 896,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   57 THR   MG2   100 DA    H3'   3.50  (# sfnoe.upl:3.50)
 &rst iat=  -1,1623, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 894, 895, 896,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   57 THR   MG2   100 DA    H8    6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,1610, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 894, 895, 896,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   57 THR   MG2   100 DA    Q45'  5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1= 894, 895, 896,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1604,1601,1602,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   57 THR   MG2   100 DA    Q5'   5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 894, 895, 896,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1601,1602,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   57 THR   MG2   101 DT    H7    6.00  (# sfnoe.upl:6.0,sfnoe.upl:6.0)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
 igr1= 894, 895, 896,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1645,1646,1647,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   58 HIS   H      58 HIS   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 902, 906, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   58 HIS   H      58 HIS   HB3   4.00  (# noenh_750.upl:4.00)
 &rst iat= 902, 907, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   58 HIS   H      58 HIS   HD2   5.00  (# noenh_750.upl:5.00)
 &rst iat= 902, 915, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   58 HIS   HA     58 HIS   HB3   4.00  (# noech.upl:4.00)
 &rst iat= 904, 907, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   58 HIS   HB3    58 HIS   HD2   5.00  (# aromatic_750.upl:5.00)
 &rst iat= 907, 915, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   58 HIS   H      59 THR   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 902, 919, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   58 HIS   H      59 THR   MG2   5.00  (# noenh_750.upl:5.00)
 &rst iat= 902,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 925, 926, 927,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   58 HIS   HB2    59 THR   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 906, 919, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   58 HIS   HB2    59 THR   MG2   4.00  (# noech.upl:5.00,noech_750.upl:4.00)
 &rst iat= 906,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 925, 926, 927,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   58 HIS   HB3    59 THR   MG2   4.00  (# noech_750.upl:4.00)
 &rst iat= 907,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 925, 926, 927,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   59 THR   H      59 THR   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 919, 921, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   59 THR   H      59 THR   MG2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 925, 926, 927,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   59 THR   HA     59 THR   MG2   3.00  (# noech.upl:3.00)
 &rst iat= 921,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 925, 926, 927,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   59 THR   HB     59 THR   MG2   2.50  (# noech.upl:2.50,noech_750.upl:3.00)
 &rst iat= 923,  -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 925, 926, 927,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   59 THR   HA     60 GLY   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 921, 933, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   59 THR   HB     61 GLU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 923, 940, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   59 THR   HB     61 GLU   HB3   5.00  (# noech.upl:5.00)
 &rst iat= 923, 945, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   59 THR   HB     61 GLU   HG-   3.00  (# noech.upl:4.00,noech_750.upl:3.00)
 &rst iat= 923,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 947, 948,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   59 THR   MG2    61 GLU   HG-   5.00  (# noech.upl:5.00,noech_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 925, 926, 927,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 947, 948,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   60 GLY   H      60 GLY   HA+   4.00  (# noenh_750.upl:4.00)
 &rst iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 935, 936,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   60 GLY   H      60 GLY   HA-   3.00  (# noenh_750.upl:3.00)
 &rst iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 935, 936,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   60 GLY   H      61 GLU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 933, 940, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   60 GLY   HA+    61 GLU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1, 940, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 935, 936,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   60 GLY   HA-    61 GLU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1, 940, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 935, 936,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   61 GLU   H      61 GLU   HB2   3.00  (# noenh_750.upl:3.00)
 &rst iat= 940, 944, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   61 GLU   H      61 GLU   HG-   4.00  (# noenh_750.upl:4.00)
 &rst iat= 940,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 947, 948,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   61 GLU   HA     61 GLU   HB2   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 942, 944, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   61 GLU   HA     61 GLU   HB3   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 942, 945, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   61 GLU   HA     61 GLU   HG-   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 942,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 947, 948,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   61 GLU   HB2    61 GLU   HG+   3.00  (# noech_750.upl:3.00)
 &rst iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 947, 948,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   61 GLU   HB2    61 GLU   HG-   2.50  (# noech.upl:2.50,noech_750.upl:3.00)
 &rst iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 947, 948,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   61 GLU   HB3    61 GLU   HG-   2.50  (# noech.upl:2.50,noech_750.upl:3.00)
 &rst iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 947, 948,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   61 GLU   HA     62 LYS   H     3.00  (# noenh_750.upl:3.00)
 &rst iat= 942, 955, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   61 GLU   HB3    62 LYS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 945, 955, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   61 GLU   HB3    63 ASN   QD2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 986, 987,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   62 LYS   H      62 LYS   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 955, 959, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   62 LYS   H      62 LYS   HB3   5.00  (# noenh_750.upl:5.00)
 &rst iat= 955, 960, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   62 LYS   HA     62 LYS   HB2   3.00  (# noech.upl:3.00)
 &rst iat= 957, 959, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   62 LYS   HA     62 LYS   HB3   3.00  (# noech.upl:3.00)
 &rst iat= 957, 960, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   62 LYS   HA     62 LYS   HG-   3.00  (# noech.upl:3.00)
 &rst iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 962, 963,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   62 LYS   HB2    62 LYS   HG-   4.00  (# noech.upl:4.00)
 &rst iat= 959,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 962, 963,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   62 LYS   HB2    62 LYS   QD    2.50  (# noech.upl:2.50)
 &rst iat= 959,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 965, 966,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   62 LYS   HB3    62 LYS   HG-   3.00  (# noech.upl:3.00)
 &rst iat= 960,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 962, 963,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   62 LYS   HE-    62 LYS   QD    2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 968, 969,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 965, 966,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   62 LYS   HG+    62 LYS   QD    2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 962, 963,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 965, 966,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   62 LYS   HA     63 ASN   H     3.00  (# noenh_750.upl:3.00)
 &rst iat= 957, 977, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   62 LYS   HB2    63 ASN   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 959, 977, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   62 LYS   HB3    63 ASN   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 960, 977, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   62 LYS   HG-    63 ASN   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 962, 963,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   62 LYS   HA     64 PHE   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 957, 991, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   62 LYS   HG+    75 PHE   HA    5.00  (# noech.upl:5.00)
 &rst iat=  -1,1144, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 962, 963,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   62 LYS   HA     76 THR   HA    2.50  (# noech.upl:2.50,noech_750.upl:3.00)
 &rst iat= 957,1164, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   62 LYS   HA     76 THR   MG2   4.00  (# noech.upl:4.00)
 &rst iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1168,1169,1170,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   62 LYS   HE+    76 THR   MG2   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 968, 969,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1168,1169,1170,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   62 LYS   HE-    76 THR   MG2   4.00  (# noech.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 968, 969,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1168,1169,1170,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   62 LYS   HG+    76 THR   HA    4.00  (# noech_750.upl:4.00)
 &rst iat=  -1,1164, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 962, 963,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   62 LYS   HG+    76 THR   MG2   4.00  (# noech.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 962, 963,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1168,1169,1170,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   62 LYS   HG-    76 THR   MG2   3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 962, 963,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1168,1169,1170,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   62 LYS   QE     99 DG    H3'   4.00  (# sfnoe.upl:4.00)
 &rst iat=  -1,1591, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 968, 969,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   62 LYS   QE     99 DG    H4'   5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 968, 969,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   62 LYS   QE     99 DG    Q5'   4.00  (# sfnoe.upl:4.0)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 968, 969,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1568,1569,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   63 ASN   H      63 ASN   HA    3.00  (# noenh_750.upl:3.00)
 &rst iat= 977, 979, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   63 ASN   H      63 ASN   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 977, 981, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   63 ASN   H      63 ASN   HB3   5.00  (# noenh_750.upl:5.00)
 &rst iat= 977, 982, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 ASN   H      63 ASN   QD2   5.00  (# noenh_750.upl:5.00)
 &rst iat= 977,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 986, 987,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   63 ASN   HA     63 ASN   HB2   3.00  (# noech.upl:3.00)
 &rst iat= 979, 981, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   63 ASN   HA     63 ASN   HB3   3.00  (# noech.upl:3.00)
 &rst iat= 979, 982, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   63 ASN   HB2    63 ASN   QD2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 981,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 986, 987,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   63 ASN   HB3    63 ASN   QD2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 986, 987,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   63 ASN   H      64 PHE   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 977, 991, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   63 ASN   HB2    64 PHE   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 981, 991, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 ASN   HB2    64 PHE   HE    5.00  (# aromatic_750.upl:5.00)
 &rst iat= 981,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1001,1005,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   63 ASN   HA     75 PHE   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 979,1142, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   64 PHE   H      64 PHE   HA    5.00  (# noenh_750.upl:5.00)
 &rst iat= 991, 993, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   64 PHE   H      64 PHE   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 991, 995, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   64 PHE   H      64 PHE   HB3   5.00  (# noenh_750.upl:5.00)
 &rst iat= 991, 996, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   64 PHE   H      64 PHE   HD    3.00  (# noenh_750.upl:3.00,noenh_750.upl:5.00)
 &rst iat= 991,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 999,1007,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   64 PHE   HA     64 PHE   HB2   4.00  (# noech.upl:4.00)
 &rst iat= 993, 995, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   64 PHE   HA     64 PHE   HB3   3.00  (# noech.upl:3.00)
 &rst iat= 993, 996, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   64 PHE   HA     64 PHE   HD    4.00  (# noech.upl:4.00,aromatic_750.upl:4.00)
 &rst iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 999,1007,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   64 PHE   HA     64 PHE   HE    5.00  (# aromatic_750.upl:5.00)
 &rst iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1001,1005,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   64 PHE   HB2    64 PHE   HD    4.00  (# aromatic_750.upl:4.00)
 &rst iat= 995,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 999,1007,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   64 PHE   HB3    64 PHE   HD    4.00  (# aromatic_750.upl:4.00)
 &rst iat= 996,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 999,1007,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   64 PHE   HA     65 THR   H     3.00  (# noenh_750.upl:3.00)
 &rst iat= 993,1011, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   64 PHE   HB3    65 THR   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 996,1011, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   64 PHE   H      75 PHE   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 991,1142, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   64 PHE   HD     77 THR   HA    4.00  (# noech_750.upl:4.00,aromatic_750.upl:4.00)
 &rst iat=  -1,1178, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 999,1007,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   64 PHE   HE     77 THR   HA    4.00  (# noech_750.upl:4.00,aromatic_750.upl:4.00)
 &rst iat=  -1,1178, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=1001,1005,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   64 PHE   HD     78 LYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1,1190, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 999,1007,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   64 PHE   HE     78 LYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1,1190, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=1001,1005,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   64 PHE   HD     81 MET   ME    5.00  (# aromatic_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 999,1007,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1249,1250,1251,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   64 PHE   HE     81 MET   ME    5.00  (# aromatic_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1001,1005,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1249,1250,1251,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   65 THR   H      65 THR   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat=1011,1013, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   65 THR   H      65 THR   HB    4.00  (# noenh_750.upl:4.00)
 &rst iat=1011,1015, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   65 THR   H      65 THR   MG2   4.00  (# noenh_750.upl:4.00)
 &rst iat=1011,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1017,1018,1019,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   65 THR   HA     65 THR   HB    3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat=1013,1015, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   65 THR   HA     65 THR   MG2   3.00  (# noech.upl:3.00)
 &rst iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1017,1018,1019,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   65 THR   HB     65 THR   MG2   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1017,1018,1019,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   65 THR   HA     66 CYS   H     3.00  (# noenh_750.upl:3.00)
 &rst iat=1013,1025, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   65 THR   HB     66 CYS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=1015,1025, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   65 THR   MG2    66 CYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1017,1018,1019,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   65 THR   MG2    67 ASP   HA    4.00  (# noech_750.upl:4.00)
 &rst iat=  -1,1037, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1017,1018,1019,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   65 THR   MG2    67 ASP   HB-   5.00  (# noech.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1=1017,1018,1019,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1039,1040,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   65 THR   MG2    72 ASP   HA    4.00  (# noech.upl:4.00)
 &rst iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1017,1018,1019,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   65 THR   MG2    72 ASP   HB2   4.00  (# noech_750.upl:4.00)
 &rst iat=  -1,1091, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1017,1018,1019,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   65 THR   MG2    72 ASP   HB3   5.00  (# noech_750.upl:5.00)
 &rst iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1017,1018,1019,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   65 THR   HA     74 ARG   HA    3.00  (# noech.upl:3.00)
 &rst iat=1013,1120, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   65 THR   HA     74 ARG   HG+   4.00  (# noech.upl:4.00)
 &rst iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1125,1126,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   65 THR   HA     74 ARG   HG-   4.00  (# noech.upl:4.00)
 &rst iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1125,1126,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   65 THR   HB     74 ARG   HA    5.00  (# noech_750.upl:5.00)
 &rst iat=1015,1120, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   65 THR   HB     74 ARG   HG+   5.00  (# noech_750.upl:5.00)
 &rst iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1125,1126,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   65 THR   HB     74 ARG   HG-   5.00  (# noech_750.upl:5.00)
 &rst iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1125,1126,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   65 THR   MG2    74 ARG   HA    4.00  (# noech_750.upl:4.00)
 &rst iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1017,1018,1019,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   65 THR   MG2    74 ARG   HD+   4.00  (# noech.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1=1017,1018,1019,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1128,1129,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   65 THR   MG2    74 ARG   HD-   4.00  (# noech.upl:4.00,noech_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1=1017,1018,1019,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1128,1129,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   65 THR   MG2    74 ARG   HG+   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1=1017,1018,1019,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1125,1126,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   65 THR   MG2    74 ARG   HG-   3.00  (# noech.upl:3.00,noech_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1=1017,1018,1019,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1125,1126,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   65 THR   HA     75 PHE   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1013,1142, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   66 CYS   H      66 CYS   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat=1025,1027, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   66 CYS   H      66 CYS   QB    3.00  (# noenh_750.upl:3.00)
 &rst iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1029,1030,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   66 CYS   HA     66 CYS   QB    4.00  (# noech.upl:4.00)
 &rst iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1029,1030,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   66 CYS   HA     67 ASP   H     3.00  (# noenh_750.upl:3.00)
 &rst iat=1027,1035, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   66 CYS   HA     67 ASP   HB-   5.00  (# noech.upl:5.00)
 &rst iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1039,1040,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   66 CYS   QB     67 ASP   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1029,1030,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   66 CYS   H      74 ARG   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat=1025,1120, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   66 CYS   H      75 PHE   HE    5.00  (# noenh_750.upl:5.00)
 &rst iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1152,1156,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   66 CYS   QB     75 PHE   HE    5.00  (# aromatic_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1029,1030,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1152,1156,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   66 CYS   HA     81 MET   ME    5.00  (# noech.upl:5.00)
 &rst iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1249,1250,1251,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   66 CYS   QB     81 MET   QG    5.00  (# noech.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1=1029,1030,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1243,1243,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   67 ASP   H      67 ASP   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat=1035,1037, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   67 ASP   H      67 ASP   HB+   4.00  (# noenh_750.upl:4.00)
 &rst iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1039,1040,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   67 ASP   H      67 ASP   HB-   4.00  (# noenh_750.upl:4.00)
 &rst iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1039,1040,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   67 ASP   HA     67 ASP   HB+   3.00  (# noech.upl:3.00)
 &rst iat=1037,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1039,1040,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   67 ASP   HA     67 ASP   HB-   4.00  (# noech.upl:4.00)
 &rst iat=1037,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1039,1040,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   67 ASP   H      68 SER   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1035,1047, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   67 ASP   HA     68 SER   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1037,1047, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   67 ASP   HB+    85 PHE   HE    5.00  (# aromatic_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1039,1040,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1326,1330,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   68 SER   H      68 SER   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat=1047,1049, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   68 SER   H      68 SER   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat=1047,1051, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   68 SER   H      68 SER   HB3   4.00  (# noenh_750.upl:4.00)
 &rst iat=1047,1052, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   68 SER   HA     68 SER   HB2   4.00  (# noech.upl:4.00)
 &rst iat=1049,1051, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   68 SER   HA     68 SER   HB3   4.00  (# noech.upl:4.00)
 &rst iat=1049,1052, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   68 SER   HA     69 ASP   H     3.00  (# noenh_750.upl:3.00)
 &rst iat=1049,1058, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   68 SER   HB2    69 ASP   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=1051,1058, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   68 SER   HB3    71 CYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1052,1077, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   68 SER   HB3    71 CYS   HB2   4.00  (# noech.upl:4.00)
 &rst iat=1052,1081, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   68 SER   HB3    71 CYS   HB3   4.00  (# noech.upl:4.00)
 &rst iat=1052,1082, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   68 SER   HB2    85 PHE   HE    5.00  (# aromatic_750.upl:5.00)
 &rst iat=1051,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1326,1330,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   68 SER   HB3    85 PHE   HE    5.00  (# aromatic_750.upl:5.00)
 &rst iat=1052,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1326,1330,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   69 ASP   H      69 ASP   HB+   4.00  (# noenh_750.upl:4.00)
 &rst iat=1058,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1062,1063,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   69 ASP   HA     69 ASP   HB+   3.00  (# noech.upl:3.00)
 &rst iat=1060,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1062,1063,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   69 ASP   HA     70 GLY   H     3.00  (# noenh_750.upl:3.00)
 &rst iat=1060,1070, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   70 GLY   H      70 GLY   HA-   4.00  (# noenh_750.upl:4.00)
 &rst iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1072,1073,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   70 GLY   HA+    71 CYS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1,1077, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1072,1073,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   70 GLY   HA-    71 CYS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1,1077, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1072,1073,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   71 CYS   H      71 CYS   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat=1077,1079, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   71 CYS   H      71 CYS   HB2   3.00  (# noenh_750.upl:3.00)
 &rst iat=1077,1081, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   71 CYS   H      71 CYS   HB3   3.00  (# noenh_750.upl:3.00)
 &rst iat=1077,1082, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   71 CYS   HA     71 CYS   HB2   4.00  (# noech.upl:4.00)
 &rst iat=1079,1081, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   71 CYS   H      72 ASP   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1077,1087, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   71 CYS   HA     72 ASP   H     3.00  (# noenh_750.upl:3.00)
 &rst iat=1079,1087, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   71 CYS   HB3    72 ASP   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=1082,1087, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   71 CYS   HA     73 LEU   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=1079,1099, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   72 ASP   H      72 ASP   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat=1087,1091, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   72 ASP   H      72 ASP   HB3   4.00  (# noenh_750.upl:4.00)
 &rst iat=1087,1092, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   72 ASP   HA     72 ASP   HB2   3.00  (# noech.upl:3.00)
 &rst iat=1089,1091, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   72 ASP   HA     72 ASP   HB3   3.00  (# noech.upl:3.00)
 &rst iat=1089,1092, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   72 ASP   H      73 LEU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1087,1099, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   72 ASP   H      73 LEU   MDY   5.00  (# noenh_750.upl:5.00)
 &rst iat=1087,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1108,1109,1110,1112,1113,1114,   0,   0,   0,   0,   0,   0,   &end
#
#   72 ASP   HA     73 LEU   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=1089,1099, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   73 LEU   H      73 LEU   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat=1099,1101, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   73 LEU   H      73 LEU   HB2   3.00  (# noenh_750.upl:3.00)
 &rst iat=1099,1103, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   73 LEU   H      73 LEU   HB3   4.00  (# noenh_750.upl:4.00)
 &rst iat=1099,1104, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   73 LEU   H      73 LEU   HG    4.00  (# noenh_750.upl:4.00)
 &rst iat=1099,1106, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   73 LEU   H      73 LEU   MDY   4.00  (# noenh_750.upl:4.00)
 &rst iat=1099,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1108,1109,1110,1112,1113,1114,   0,   0,   0,   0,   0,   0,   &end
#
#   73 LEU   HA     73 LEU   HB2   4.00  (# noech.upl:4.00)
 &rst iat=1101,1103, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   73 LEU   HA     73 LEU   HB3   3.00  (# noech.upl:3.00)
 &rst iat=1101,1104, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   73 LEU   HA     73 LEU   HG    3.00  (# noech.upl:3.00)
 &rst iat=1101,1106, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   73 LEU   HA     73 LEU   MDX   4.00  (# noech.upl:4.00)
 &rst iat=1101,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1108,1109,1110,1112,1113,1114,   0,   0,   0,   0,   0,   0,   &end
#
#   73 LEU   HA     73 LEU   MDY   2.50  (# noech.upl:2.50)
 &rst iat=1101,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1108,1109,1110,1112,1113,1114,   0,   0,   0,   0,   0,   0,   &end
#
#   73 LEU   HB2    73 LEU   HG    2.50  (# noech.upl:2.50)
 &rst iat=1103,1106, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   73 LEU   HB2    73 LEU   MDX   3.00  (# noech.upl:3.00)
 &rst iat=1103,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1108,1109,1110,1112,1113,1114,   0,   0,   0,   0,   0,   0,   &end
#
#   73 LEU   HB2    73 LEU   MDY   3.00  (# noech.upl:3.00)
 &rst iat=1103,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1108,1109,1110,1112,1113,1114,   0,   0,   0,   0,   0,   0,   &end
#
#   73 LEU   HB3    73 LEU   HG    4.00  (# noech.upl:4.00)
 &rst iat=1104,1106, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   73 LEU   HB3    73 LEU   MDX   3.00  (# noech.upl:3.00)
 &rst iat=1104,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1108,1109,1110,1112,1113,1114,   0,   0,   0,   0,   0,   0,   &end
#
#   73 LEU   HB3    73 LEU   MDY   3.00  (# noech.upl:3.00)
 &rst iat=1104,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1108,1109,1110,1112,1113,1114,   0,   0,   0,   0,   0,   0,   &end
#
#   73 LEU   HG     73 LEU   MDX   3.00  (# noech.upl:3.00)
 &rst iat=1106,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1108,1109,1110,1112,1113,1114,   0,   0,   0,   0,   0,   0,   &end
#
#   73 LEU   HG     73 LEU   MDY   2.50  (# noech.upl:2.50)
 &rst iat=1106,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1108,1109,1110,1112,1113,1114,   0,   0,   0,   0,   0,   0,   &end
#
#   73 LEU   H      74 ARG   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=1099,1118, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   73 LEU   HA     74 ARG   H     3.00  (# noenh_750.upl:3.00)
 &rst iat=1101,1118, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   73 LEU   HB3    74 ARG   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1104,1118, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   73 LEU   MDY    74 ARG   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1,1118, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=1108,1109,1110,1112,1113,1114,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   73 LEU   HB2    75 PHE   HE    5.00  (# aromatic_750.upl:5.00)
 &rst iat=1103,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1152,1156,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   73 LEU   MDX    75 PHE   HE    5.00  (# aromatic_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1=1108,1109,1110,1112,1113,1114,   0,   0,   0,   0,   0,   0,
 igr2=1152,1156,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   73 LEU   MDX    75 PHE   HZ    4.00  (# aromatic_750.upl:4.00)
 &rst iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=1108,1109,1110,1112,1113,1114,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   73 LEU   MDY    75 PHE   HZ    5.00  (# aromatic_750.upl:5.00)
 &rst iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=1108,1109,1110,1112,1113,1114,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   73 LEU   MDX    84 HIS   HD2   5.00  (# aromatic_750.upl:5.00)
 &rst iat=  -1,1312, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=1108,1109,1110,1112,1113,1114,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   73 LEU   MDX    84 HIS   HE1   3.00  (# noech.upl:3.00,aromatic_750.upl:4.00)
 &rst iat=  -1,1309, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=1108,1109,1110,1112,1113,1114,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   73 LEU   MDY    84 HIS   HE1   5.00  (# aromatic_750.upl:5.00)
 &rst iat=  -1,1309, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=1108,1109,1110,1112,1113,1114,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   73 LEU   MDX    98 DG    H4'   5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,1538, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=1108,1109,1110,1112,1113,1114,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   73 LEU   MDX    98 DG    Q5'   4.00  (# sfnoe.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1108,1109,1110,1112,1113,1114,   0,   0,   0,   0,   0,   0,
 igr2=1535,1536,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   73 LEU   MDY    98 DG    Q5'   5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr1=1108,1109,1110,1112,1113,1114,   0,   0,   0,   0,   0,   0,
 igr2=1535,1536,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   74 ARG   H      74 ARG   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat=1118,1120, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   74 ARG   H      74 ARG   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat=1118,1122, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   74 ARG   H      74 ARG   HB3   4.00  (# noenh_750.upl:4.00)
 &rst iat=1118,1123, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   74 ARG   H      74 ARG   HG-   4.00  (# noenh_750.upl:4.00)
 &rst iat=1118,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1125,1126,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   74 ARG   HA     74 ARG   HB2   4.00  (# noech.upl:4.00)
 &rst iat=1120,1122, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   74 ARG   HA     74 ARG   HB3   3.00  (# noech.upl:3.00)
 &rst iat=1120,1123, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   74 ARG   HA     74 ARG   HG+   3.00  (# noech.upl:3.00)
 &rst iat=1120,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1125,1126,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   74 ARG   HA     74 ARG   HG-   4.00  (# noech.upl:4.00)
 &rst iat=1120,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1125,1126,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   74 ARG   HB2    74 ARG   HD+   5.00  (# noech.upl:5.00)
 &rst iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1128,1129,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   74 ARG   HB2    74 ARG   HD-   5.00  (# noech.upl:5.00)
 &rst iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1128,1129,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   74 ARG   HB2    74 ARG   HG-   2.50  (# noech.upl:2.50)
 &rst iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1125,1126,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   74 ARG   HB3    74 ARG   HD+   3.00  (# noech.upl:3.00)
 &rst iat=1123,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1128,1129,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   74 ARG   HB3    74 ARG   HD-   4.00  (# noech.upl:4.00)
 &rst iat=1123,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1128,1129,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   74 ARG   HB3    74 ARG   HG+   2.50  (# noech.upl:2.50)
 &rst iat=1123,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1125,1126,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   74 ARG   HB3    74 ARG   HG-   2.50  (# noech.upl:2.50)
 &rst iat=1123,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1125,1126,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   74 ARG   HD+    74 ARG   HG+   3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1128,1129,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1125,1126,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   74 ARG   HD+    74 ARG   HG-   3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1128,1129,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1125,1126,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   74 ARG   HD-    74 ARG   HG+   3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1128,1129,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1125,1126,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   74 ARG   HD-    74 ARG   HG-   3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1128,1129,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1125,1126,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   74 ARG   HA     75 PHE   H     3.00  (# noenh_750.upl:3.00)
 &rst iat=1120,1142, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   74 ARG   HA     75 PHE   HD    5.00  (# aromatic_750.upl:5.00)
 &rst iat=1120,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1150,1158,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   74 ARG   HB2    75 PHE   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=1122,1142, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   74 ARG   HB2    75 PHE   HA    5.00  (# noech.upl:5.00)
 &rst iat=1122,1144, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   74 ARG   HB3    75 PHE   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=1123,1142, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   74 ARG   HG-    75 PHE   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1,1142, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1125,1126,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   75 PHE   H      75 PHE   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat=1142,1146, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   75 PHE   H      75 PHE   HD    4.00  (# noenh_750.upl:4.00)
 &rst iat=1142,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1150,1158,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   75 PHE   HA     75 PHE   HB2   4.00  (# noech.upl:4.00)
 &rst iat=1144,1146, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   75 PHE   HA     75 PHE   HB3   4.00  (# noech.upl:4.00)
 &rst iat=1144,1147, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   75 PHE   HA     75 PHE   HD    5.00  (# aromatic_750.upl:5.00)
 &rst iat=1144,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1150,1158,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   75 PHE   HB2    75 PHE   HD    4.00  (# aromatic_750.upl:4.00)
 &rst iat=1146,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1150,1158,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   75 PHE   HB3    75 PHE   HD    4.00  (# noech.upl:4.00,aromatic_750.upl:4.00)
 &rst iat=1147,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1150,1158,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   75 PHE   HA     76 THR   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1144,1162, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   75 PHE   HA     76 THR   MG2   5.00  (# noech_750.upl:5.00)
 &rst iat=1144,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1168,1169,1170,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   75 PHE   HB2    77 THR   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=1146,1176, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 PHE   HB3    77 THR   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1147,1176, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   75 PHE   HB3    80 ASN   QB    4.00  (# noech_750.upl:4.00)
 &rst iat=1147,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1226,1227,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   75 PHE   HD     80 ASN   QB    4.00  (# noech_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1150,1158,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1226,1227,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   75 PHE   HB2    81 MET   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1146,1236, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   75 PHE   HB3    81 MET   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1147,1236, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   75 PHE   HD     81 MET   HA    5.00  (# aromatic_750.upl:5.00)
 &rst iat=  -1,1238, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=1150,1158,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   75 PHE   HD     98 DG    H2'2  5.00  (# sfnoe.upl:5.0)
 &rst iat=  -1,1561, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=1150,1158,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   75 PHE   HD     98 DG    H3'   3.50  (# sfnoe.upl:3.50)
 &rst iat=  -1,1558, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1=1150,1158,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   75 PHE   HD     98 DG    H4'   5.00  (# sfnoe.upl:5.0)
 &rst iat=  -1,1538, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=1150,1158,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   75 PHE   HE     98 DG    H2'2  6.00  (# sfnoe.upl:6.0)
 &rst iat=  -1,1561, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1=1152,1156,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   75 PHE   HE     98 DG    H3'   3.50  (# sfnoe.upl:3.50)
 &rst iat=  -1,1558, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1=1152,1156,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   75 PHE   HE     98 DG    Q5'   5.00  (# sfnoe.upl:5.0)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1152,1156,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1535,1536,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   75 PHE   HZ     98 DG    H3'   6.00  (# sfnoe.upl:6.0)
 &rst iat=1154,1558, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   76 THR   H      76 THR   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat=1162,1164, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   76 THR   H      76 THR   MG2   4.00  (# noenh_750.upl:4.00)
 &rst iat=1162,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1168,1169,1170,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   76 THR   HA     76 THR   HB    3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat=1164,1166, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   76 THR   HA     76 THR   MG2   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat=1164,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1168,1169,1170,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   76 THR   HB     76 THR   MG2   2.50  (# noech.upl:2.50,noech_750.upl:3.00)
 &rst iat=1166,  -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1168,1169,1170,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   76 THR   H      77 THR   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1162,1176, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   76 THR   HA     77 THR   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1164,1176, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   76 THR   HB     77 THR   MG2   3.00  (# noech.upl:3.00)
 &rst iat=1166,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1182,1183,1184,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   76 THR   MG2    77 THR   MG2   5.00  (# noech.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1=1168,1169,1170,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1182,1183,1184,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   76 THR   HB     99 DG    H3'   5.00  (# sfnoe.upl:5.00)
 &rst iat=1166,1591, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   76 THR   MG2    99 DG    H1'   6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,1574, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1168,1169,1170,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   76 THR   MG2    99 DG    H2'1  4.00  (# sfnoe.upl:4.00)
 &rst iat=  -1,1593, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1168,1169,1170,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   76 THR   MG2    99 DG    H2'2  4.00  (# sfnoe.upl:4.00)
 &rst iat=  -1,1594, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1168,1169,1170,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   76 THR   MG2    99 DG    H3'   3.50  (# sfnoe.upl:3.50)
 &rst iat=  -1,1591, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=1168,1169,1170,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   76 THR   MG2    99 DG    H4'   5.00  (# sfnoe.upl:5.0)
 &rst iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1168,1169,1170,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   76 THR   MG2    99 DG    H8    5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,1577, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1168,1169,1170,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   76 THR   MG2    99 DG    Q5'   3.50  (# sfnoe.upl:3.5)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1=1168,1169,1170,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1568,1569,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   76 THR   MG2   100 DA    H8    6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,1610, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1168,1169,1170,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   77 THR   H      77 THR   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat=1176,1178, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   77 THR   H      77 THR   MG2   4.00  (# noenh_750.upl:4.00)
 &rst iat=1176,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1182,1183,1184,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   77 THR   HA     77 THR   HB    3.00  (# noech.upl:3.00)
 &rst iat=1178,1180, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   77 THR   HA     77 THR   MG2   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat=1178,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1182,1183,1184,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   77 THR   HB     77 THR   MG2   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat=1180,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1182,1183,1184,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   77 THR   HA     78 LYS   H     3.00  (# noenh_750.upl:3.00)
 &rst iat=1178,1190, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   77 THR   HB     78 LYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1180,1190, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   77 THR   HB     79 ALA   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1180,1212, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   77 THR   MG2    79 ALA   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1,1212, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1182,1183,1184,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   77 THR   MG2    79 ALA   MB    5.00  (# noech.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1=1182,1183,1184,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1216,1217,1218,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   77 THR   H      80 ASN   QB    4.00  (# noenh_750.upl:4.00)
 &rst iat=1176,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1226,1227,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   77 THR   MG2   100 DA    H2'1  6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,1625, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1182,1183,1184,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   77 THR   MG2   100 DA    H2'2  6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,1626, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1182,1183,1184,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   77 THR   MG2   100 DA    H8    6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,1610, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1182,1183,1184,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   78 LYS   H      78 LYS   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat=1190,1192, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   78 LYS   H      78 LYS   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat=1190,1194, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   78 LYS   H      78 LYS   HB3   4.00  (# noenh_750.upl:4.00)
 &rst iat=1190,1195, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   78 LYS   HA     78 LYS   HB2   4.00  (# noech.upl:4.00)
 &rst iat=1192,1194, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   78 LYS   HA     78 LYS   HB3   3.00  (# noech.upl:3.00)
 &rst iat=1192,1195, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   78 LYS   HA     78 LYS   HG+   4.00  (# noech.upl:4.00)
 &rst iat=1192,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1197,1198,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   78 LYS   HA     78 LYS   HG-   4.00  (# noech.upl:4.00)
 &rst iat=1192,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1197,1198,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   78 LYS   HB3    78 LYS   HD-   3.00  (# noech.upl:3.00)
 &rst iat=1195,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1200,1201,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   78 LYS   HB3    78 LYS   HG+   3.00  (# noech.upl:3.00)
 &rst iat=1195,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1197,1198,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   78 LYS   HD+    78 LYS   HE-   2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1=1200,1201,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1203,1204,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   78 LYS   HD+    78 LYS   HG+   3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1200,1201,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1197,1198,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   78 LYS   HD-    78 LYS   HG-   3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1200,1201,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1197,1198,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   78 LYS   HE+    78 LYS   HG+   4.00  (# noech.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1203,1204,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1197,1198,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   78 LYS   HE-    78 LYS   HG-   3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1203,1204,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1197,1198,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   78 LYS   H      79 ALA   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1190,1212, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   78 LYS   HB2    79 ALA   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1194,1212, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   78 LYS   HB3    79 ALA   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=1195,1212, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   78 LYS   HG-    79 ALA   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1,1212, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1197,1198,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   78 LYS   HA     81 MET   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1192,1236, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   78 LYS   HA     81 MET   HB+   4.00  (# noech.upl:4.00)
 &rst iat=1192,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1240,1241,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   78 LYS   HA     81 MET   HB-   5.00  (# noech.upl:5.00)
 &rst iat=1192,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1240,1241,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   78 LYS   HA     81 MET   ME    4.00  (# noech.upl:4.00)
 &rst iat=1192,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1249,1250,1251,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   78 LYS   HB3    81 MET   ME    3.00  (# noech.upl:3.00)
 &rst iat=1195,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1249,1250,1251,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   78 LYS   HD+    81 MET   ME    4.00  (# noech.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1=1200,1201,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1249,1250,1251,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   78 LYS   HG+    81 MET   ME    3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1=1197,1198,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1249,1250,1251,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   78 LYS   HA     82 LYS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=1192,1255, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   79 ALA   H      79 ALA   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat=1212,1214, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   79 ALA   H      79 ALA   MB    3.00  (# noenh_750.upl:3.00)
 &rst iat=1212,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1216,1217,1218,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   79 ALA   HA     79 ALA   MB    2.50  (# noech.upl:2.50)
 &rst iat=1214,  -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1216,1217,1218,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   79 ALA   H      80 ASN   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1212,1222, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   79 ALA   MB     80 ASN   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1,1222, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1216,1217,1218,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   79 ALA   HA     82 LYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1214,1255, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   79 ALA   HA     82 LYS   HG+   5.00  (# noech_750.upl:5.00)
 &rst iat=1214,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1262,1263,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   79 ALA   HA     82 LYS   QB    3.00  (# noech.upl:3.00)
 &rst iat=1214,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1259,1260,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   79 ALA   MB     82 LYS   QB    4.00  (# noech.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1=1216,1217,1218,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1259,1260,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   79 ALA   MB    118 DC    H1'   6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,2179, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1216,1217,1218,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   79 ALA   MB    118 DC    H2'   5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,2195, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1216,1217,1218,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   79 ALA   MB    118 DC    H2'2  4.00  (# sfnoe.upl:4.00)
 &rst iat=  -1,2196, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1216,1217,1218,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   79 ALA   MB    118 DC    H3'   4.00  (# sfnoe.upl:4.00)
 &rst iat=  -1,2193, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1216,1217,1218,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   79 ALA   MB    118 DC    H4'   6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,2176, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1216,1217,1218,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   79 ALA   MB    118 DC    H5    4.00  (# sfnoe.upl:4.00)
 &rst iat=  -1,2184, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1216,1217,1218,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   79 ALA   MB    118 DC    Q5'   6.00  (# sfnoe.upl:6.0)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
 igr1=1216,1217,1218,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2173,2174,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   79 ALA   HA    119 DC    H5    5.00  (# sfnoe.upl:5.00)
 &rst iat=1214,2214, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   79 ALA   HA    119 DC    H6    6.00  (# sfnoe.upl:6.00)
 &rst iat=1214,2212, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   79 ALA   MB    119 DC    H2'1  5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,2225, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1216,1217,1218,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   79 ALA   MB    119 DC    H3'   6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,2223, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1216,1217,1218,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   79 ALA   MB    119 DC    H5    3.50  (# sfnoe.upl:3.50)
 &rst iat=  -1,2214, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=1216,1217,1218,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   79 ALA   MB    119 DC    Q5'   6.00  (# sfnoe.upl:6.0)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
 igr1=1216,1217,1218,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2203,2204,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   80 ASN   H      80 ASN   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat=1222,1224, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   80 ASN   H      80 ASN   QB    4.00  (# noenh_750.upl:4.00)
 &rst iat=1222,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1226,1227,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   80 ASN   HA     80 ASN   QB    3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat=1224,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1226,1227,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   80 ASN   H      81 MET   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1222,1236, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   80 ASN   HA     81 MET   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1224,1236, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   80 ASN   QB     81 MET   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1,1236, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1226,1227,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   80 ASN   H      82 LYS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=1222,1255, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   80 ASN   HA     83 LYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1224,1277, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   80 ASN   HA     83 LYS   HD-   5.00  (# noech.upl:5.00)
 &rst iat=1224,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1287,1288,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   80 ASN   HA     83 LYS   QB    3.00  (# noech.upl:3.00)
 &rst iat=1224,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1281,1282,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   80 ASN   QB     98 DG    H1'   6.00  (# sfnoe.upl:6.0)
 &rst iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1=1226,1227,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   80 ASN   QB     98 DG    H3'   5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,1558, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1226,1227,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   80 ASN   QB     99 DG    H8    6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,1577, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1=1226,1227,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   81 MET   H      81 MET   HA    3.00  (# noenh_750.upl:3.00)
 &rst iat=1236,1238, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   81 MET   H      81 MET   HB+   4.00  (# noenh_750.upl:4.00)
 &rst iat=1236,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1240,1241,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   81 MET   H      81 MET   ME    5.00  (# noenh_750.upl:5.00)
 &rst iat=1236,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1249,1250,1251,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   81 MET   HA     81 MET   HB+   3.00  (# noech.upl:3.00)
 &rst iat=1238,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1240,1241,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   81 MET   HA     81 MET   ME    5.00  (# noech.upl:5.00)
 &rst iat=1238,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1249,1250,1251,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   81 MET   HB+    81 MET   ME    4.00  (# noech.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1=1240,1241,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1249,1250,1251,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   81 MET   H      82 LYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1236,1255, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   81 MET   HA     82 LYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1238,1255, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   81 MET   HB-    82 LYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1,1255, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1240,1241,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   81 MET   ME     82 LYS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1,1255, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1249,1250,1251,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   81 MET   ME     82 LYS   HG+   3.00  (# noech_750.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1=1249,1250,1251,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1262,1263,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   81 MET   ME     82 LYS   HG-   5.00  (# noech.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1=1249,1250,1251,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1262,1263,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   81 MET   ME     82 LYS   QB    5.00  (# noech.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1=1249,1250,1251,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1259,1260,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   81 MET   ME     82 LYS   QD    3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1=1249,1250,1251,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1265,1266,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   81 MET   ME     82 LYS   QE    3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1=1249,1250,1251,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1268,1269,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   82 LYS   H      82 LYS   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat=1255,1257, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   82 LYS   H      82 LYS   HG-   4.00  (# noenh_750.upl:4.00)
 &rst iat=1255,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1262,1263,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   82 LYS   H      82 LYS   QB    3.00  (# noenh_750.upl:3.00)
 &rst iat=1255,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1259,1260,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   82 LYS   HA     82 LYS   HG+   4.00  (# noech.upl:5.00,noech_750.upl:4.00)
 &rst iat=1257,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1262,1263,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   82 LYS   HA     82 LYS   QD    3.00  (# noech.upl:3.00)
 &rst iat=1257,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1265,1266,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   82 LYS   HG+    82 LYS   QB    2.50  (# noech.upl:2.50,noech_750.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1=1262,1263,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1259,1260,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   82 LYS   HG+    82 LYS   QE    3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1262,1263,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1268,1269,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   82 LYS   HG-    82 LYS   QB    2.50  (# noech.upl:2.50,noech_750.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1=1262,1263,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1259,1260,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   82 LYS   HG-    82 LYS   QE    3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1262,1263,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1268,1269,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   82 LYS   QB     82 LYS   QD    2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1=1259,1260,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1265,1266,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   82 LYS   QD     82 LYS   QE    2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1=1265,1266,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1268,1269,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   82 LYS   H      83 LYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1255,1277, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   82 LYS   HA     83 LYS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=1257,1277, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   82 LYS   QB     83 LYS   H     3.00  (# noenh_750.upl:3.00)
 &rst iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=1259,1260,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   82 LYS   HA     84 HIS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=1257,1299, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   82 LYS   HA     85 PHE   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1257,1316, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   82 LYS   HA     85 PHE   QB    3.00  (# noech.upl:3.00)
 &rst iat=1257,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1320,1321,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   82 LYS   HA     86 ASN   HB2   5.00  (# noech_750.upl:5.00)
 &rst iat=1257,1340, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   82 LYS   QE    118 DC    H3'   5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,2193, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1268,1269,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   H      83 LYS   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat=1277,1279, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   83 LYS   H      83 LYS   HG+   4.00  (# noenh_750.upl:4.00)
 &rst iat=1277,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1284,1285,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   H      83 LYS   HG-   4.00  (# noenh_750.upl:4.00)
 &rst iat=1277,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1284,1285,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   H      83 LYS   QB    3.00  (# noenh_750.upl:3.00)
 &rst iat=1277,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1281,1282,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   HA     83 LYS   HG+   4.00  (# noech.upl:4.00)
 &rst iat=1279,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1284,1285,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   HA     83 LYS   HG-   3.00  (# noech.upl:3.00)
 &rst iat=1279,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1284,1285,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   HA     83 LYS   QB    3.00  (# noech.upl:3.00)
 &rst iat=1279,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1281,1282,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   HD+    83 LYS   HG-   2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1=1287,1288,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1284,1285,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   HD+    83 LYS   QE    2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1=1287,1288,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1290,1291,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   HD-    83 LYS   QE    2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1=1287,1288,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1290,1291,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   HG+    83 LYS   QB    2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1=1284,1285,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1281,1282,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   HG+    83 LYS   QE    2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1=1284,1285,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1290,1291,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   HG-    83 LYS   QB    3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1284,1285,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1281,1282,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   HG-    83 LYS   QE    3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1284,1285,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1290,1291,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   QB     83 LYS   QE    3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1281,1282,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1290,1291,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   H      84 HIS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1277,1299, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   83 LYS   QB     84 HIS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1,1299, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1281,1282,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   QB     85 PHE   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1,1316, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1281,1282,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   H      86 ASN   HD2+  4.00  (# noenh_750.upl:4.00)
 &rst iat=1277,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1345,1346,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   H      86 ASN   HD2-  4.00  (# noenh_750.upl:4.00)
 &rst iat=1277,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1345,1346,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   HA     86 ASN   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=1279,1336, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   83 LYS   HA     86 ASN   HB2   4.00  (# noech.upl:4.00)
 &rst iat=1279,1340, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   83 LYS   HA     86 ASN   HB3   4.00  (# noech.upl:4.00)
 &rst iat=1279,1341, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   83 LYS   QD     98 DG    H8    6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,1544, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1=1287,1288,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   QE     98 DG    H8    5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,1544, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1290,1291,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   HD2   121 DT    H7    4.00  (# sfnoe.upl:4.00)
 &rst iat=1287,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2277,2278,2279,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   HD3   121 DT    H7    4.00  (# sfnoe.upl:4.00)
 &rst iat=1288,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2277,2278,2279,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   QE    121 DT    H6    6.00  (# sfnoe.upl:6.0)
 &rst iat=  -1,2274, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1=1290,1291,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   QE    121 DT    H7    3.50  (# sfnoe.upl:3.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1=1290,1291,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2277,2278,2279,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   84 HIS   H      84 HIS   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat=1299,1301, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   84 HIS   H      84 HIS   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat=1299,1303, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   84 HIS   H      84 HIS   HB3   3.00  (# noenh_750.upl:3.00)
 &rst iat=1299,1304, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   84 HIS   H      84 HIS   HD2   5.00  (# noenh_750.upl:5.00)
 &rst iat=1299,1312, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   84 HIS   H      85 PHE   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1299,1316, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   84 HIS   HB2    85 PHE   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=1303,1316, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   84 HIS   HD2    85 PHE   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=1312,1316, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   84 HIS   HA     87 ARG   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1301,1350, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   85 PHE   H      85 PHE   QB    4.00  (# noenh_750.upl:4.00)
 &rst iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1320,1321,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   85 PHE   HA     85 PHE   HD    5.00  (# aromatic_750.upl:5.00)
 &rst iat=1318,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1324,1332,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   85 PHE   HA     85 PHE   QB    3.00  (# noech.upl:3.00)
 &rst iat=1318,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1320,1321,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   85 PHE   HD     85 PHE   QB    4.00  (# noech.upl:4.00,aromatic_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1324,1332,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1320,1321,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   85 PHE   H      86 ASN   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1316,1336, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   85 PHE   HA     86 ASN   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1318,1336, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   85 PHE   QB     86 ASN   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1320,1321,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   85 PHE   HA     89 HIS   HD2   3.00  (# noech.upl:3.00,aromatic_750.upl:4.00)
 &rst iat=1318,1407, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   85 PHE   HD     90 ASN   HB3   5.00  (# aromatic_750.upl:5.00)
 &rst iat=  -1,1416, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=1324,1332,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   86 ASN   H      86 ASN   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat=1336,1338, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   86 ASN   H      86 ASN   HB2   3.00  (# noenh_750.upl:3.00)
 &rst iat=1336,1340, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   86 ASN   HA     86 ASN   HB2   3.00  (# noech.upl:3.00)
 &rst iat=1338,1340, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   86 ASN   HB2    86 ASN   HD2+  4.00  (# noenh_750.upl:4.00)
 &rst iat=1340,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1345,1346,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   86 ASN   HB2    86 ASN   HD2-  5.00  (# noenh_750.upl:5.00)
 &rst iat=1340,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1345,1346,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   86 ASN   H      87 ARG   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1336,1350, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   86 ASN   HB2    87 ARG   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1340,1350, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   86 ASN   HA     90 ASN   HB2   3.00  (# noech.upl:3.00)
 &rst iat=1338,1415, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   86 ASN   HA     90 ASN   HB3   3.00  (# noech.upl:3.00)
 &rst iat=1338,1416, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   87 ARG   H      87 ARG   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat=1350,1352, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   87 ARG   H      87 ARG   HB+   4.00  (# noenh_750.upl:4.00)
 &rst iat=1350,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1354,1355,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   87 ARG   H      87 ARG   HB-   3.00  (# noenh_750.upl:3.00)
 &rst iat=1350,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1354,1355,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   87 ARG   HA     87 ARG   HB+   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat=1352,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1354,1355,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   87 ARG   HA     87 ARG   HB-   3.00  (# noech_750.upl:3.00)
 &rst iat=1352,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1354,1355,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   87 ARG   HA     87 ARG   HD+   5.00  (# noech_750.upl:5.00)
 &rst iat=1352,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1360,1361,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   87 ARG   HA     87 ARG   HD-   5.00  (# noech_750.upl:5.00)
 &rst iat=1352,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1360,1361,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   87 ARG   HA     87 ARG   HG-   3.00  (# noech.upl:4.00,noech_750.upl:3.00)
 &rst iat=1352,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1357,1358,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   87 ARG   HB+    87 ARG   HD-   4.00  (# noech.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1354,1355,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1360,1361,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   87 ARG   H      88 PHE   H     3.00  (# noenh_750.upl:3.00)
 &rst iat=1350,1374, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   87 ARG   HD+    97 DT    Q5'   6.00  (# sfnoe.upl:6.0)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
 igr1=1360,1361,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1503,1504,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   87 ARG   HD-    97 DT    H4'   6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,1506, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1=1360,1361,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   87 ARG   HD-    97 DT    Q5'   6.00  (# sfnoe.upl:6.00,sfnoe.upl:6.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
 igr1=1360,1361,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1503,1504,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   87 ARG   HD2    97 DT    H3'   4.00  (# sfnoe.upl:4.00)
 &rst iat=1360,1525, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   87 ARG   HD2    97 DT    H6    6.00  (# sfnoe.upl:6.00)
 &rst iat=1360,1512, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   87 ARG   HD3    97 DT    H3'   4.00  (# sfnoe.upl:4.00)
 &rst iat=1361,1525, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   87 ARG   HD3    97 DT    H6    6.00  (# sfnoe.upl:6.00)
 &rst iat=1361,1512, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   88 PHE   H      88 PHE   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat=1374,1378, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   88 PHE   HA     88 PHE   HB2   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat=1376,1378, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   88 PHE   HA     88 PHE   HB3   3.00  (# noech.upl:3.00,noech_750.upl:4.00)
 &rst iat=1376,1379, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   88 PHE   HA     88 PHE   HD    4.00  (# noech.upl:4.00,noech_750.upl:4.00,aromatic_750.upl:4.00)
 &rst iat=1376,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1382,1390,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   88 PHE   HA     88 PHE   HE    5.00  (# noech_750.upl:5.00)
 &rst iat=1376,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1384,1388,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   88 PHE   HB3    88 PHE   HD    5.00  (# aromatic_750.upl:5.00)
 &rst iat=1379,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1382,1390,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   88 PHE   H      89 HIS   H     3.00  (# noenh_750.upl:3.00)
 &rst iat=1374,1394, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   88 PHE   HA     91 ILE   HG1-  5.00  (# noech.upl:5.00)
 &rst iat=1376,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1435,1436,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   88 PHE   HD     97 DT    H3'   5.50  (# sfnoe.upl:5.50)
 &rst iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1=1382,1390,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   88 PHE   HE     97 DT    H3'   4.50  (# sfnoe.upl:4.50)
 &rst iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1384,1388,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   88 PHE   HE     97 DT    Q5'   5.00  (# sfnoe.upl:5.0)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1384,1388,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1503,1504,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   88 PHE   HZ     97 DT    H3'   3.50  (# sfnoe.upl:3.50)
 &rst iat=1386,1525, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   88 PHE   HZ     97 DT    Q5'   5.00  (# sfnoe.upl:5.0)
 &rst iat=1386,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1503,1504,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   89 HIS   H      89 HIS   HA    5.00  (# noenh_750.upl:5.00)
 &rst iat=1394,1396, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   89 HIS   HA     89 HIS   HB2   4.00  (# noech.upl:4.00)
 &rst iat=1396,1398, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   89 HIS   HA     89 HIS   HB3   3.00  (# noech.upl:3.00)
 &rst iat=1396,1399, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   89 HIS   HB2    89 HIS   HD2   5.00  (# aromatic_750.upl:5.00)
 &rst iat=1398,1407, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   89 HIS   H      90 ASN   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1394,1411, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   89 HIS   H      91 ILE   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1394,1425, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   90 ASN   H      90 ASN   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat=1411,1413, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   90 ASN   H      90 ASN   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat=1411,1415, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   90 ASN   H      90 ASN   HB3   4.00  (# noenh_750.upl:4.00)
 &rst iat=1411,1416, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   90 ASN   HA     90 ASN   HB2   3.00  (# noech.upl:3.00)
 &rst iat=1413,1415, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   90 ASN   HA     90 ASN   HB3   3.00  (# noech.upl:3.00)
 &rst iat=1413,1416, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   90 ASN   HB2    90 ASN   HD2+  4.00  (# noenh_750.upl:4.00)
 &rst iat=1415,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1420,1421,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   90 ASN   HB2    90 ASN   HD2-  5.00  (# noenh_750.upl:5.00)
 &rst iat=1415,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1420,1421,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   90 ASN   HB3    90 ASN   HD2-  5.00  (# noenh_750.upl:5.00)
 &rst iat=1416,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1420,1421,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   90 ASN   HA     91 ILE   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1413,1425, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   90 ASN   HD2+   91 ILE   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1,1425, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1420,1421,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   90 ASN   HD2-   91 ILE   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1,1425, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1420,1421,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   91 ILE   H      91 ILE   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat=1425,1427, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   91 ILE   H      91 ILE   HB    4.00  (# noenh_750.upl:4.00)
 &rst iat=1425,1429, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   91 ILE   HA     91 ILE   HB    4.00  (# noech.upl:4.00)
 &rst iat=1427,1429, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   91 ILE   HA     91 ILE   HG1-  5.00  (# noech.upl:5.00)
 &rst iat=1427,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1435,1436,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   91 ILE   HA     91 ILE   MG2   4.00  (# noech.upl:4.00)
 &rst iat=1427,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1431,1432,1433,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   91 ILE   HB     91 ILE   HG1-  5.00  (# noech.upl:5.00)
 &rst iat=1429,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1435,1436,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   91 ILE   HB     91 ILE   MG2   3.00  (# noech.upl:3.00)
 &rst iat=1429,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1431,1432,1433,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   91 ILE   HG1+   91 ILE   MG2   3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1=1435,1436,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1431,1432,1433,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   91 ILE   HG1-   91 ILE   MG2   3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1=1435,1436,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1431,1432,1433,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   91 ILE   H      92 LYS   H     3.00  (# noenh_750.upl:3.00)
 &rst iat=1425,1444, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   91 ILE   HA     92 LYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1427,1444, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   92 LYS   HA     92 LYS   QD    3.00  (# noech.upl:3.00)
 &rst iat=1446,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1454,1455,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   92 LYS   HB+    92 LYS   QG    4.00  (# noech.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1448,1449,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1451,1452,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   92 LYS   HB-    92 LYS   QG    2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1=1448,1449,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1451,1452,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   92 LYS   QD     92 LYS   QG    2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1=1454,1455,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1451,1452,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   96 DT5   H1'    96 DT5   H2'1  2.00  4.14  (# DNA_30+60.ual:2.00-4.14)
 &rst iat=1477,1495, r1= 1.50, r2= 2.00, r3= 4.14, r4= 4.64, 
      rk2=20.0, rk3=20.0, ir6=1,
 &end
#
#   96 DT5   H1'    96 DT5   H2'2  1.71  3.53  (# DNA_30+60.ual:1.71-3.53)
 &rst iat=1477,1496, r1= 1.21, r2= 1.71, r3= 3.53, r4= 4.03,  &end
#
#   96 DT5   H1'    96 DT5   H4'   2.27  4.71  (# DNA_30+60.ual:2.27-4.71)
 &rst iat=1477,1474, r1= 1.77, r2= 2.27, r3= 4.71, r4= 5.21,  &end
#
#   96 DT5   H2'1   96 DT5   H6    1.47  3.05  (# DNA_30+60.ual:1.47-3.05,DNA_120.ual:3.00-5.00)
 &rst iat=1495,1480, r1= 0.97, r2= 1.47, r3= 3.05, r4= 3.55,  &end
#
#   96 DT5   H2'2   96 DT5   H6    1.91  3.97  (# DNA_30+60.ual:1.91-3.97,DNA_120.ual:3.00-5.00)
 &rst iat=1496,1480, r1= 1.41, r2= 1.91, r3= 3.97, r4= 4.47,  &end
#
#   96 DT5   H4'    96 DT5   H6    2.55  5.29  (# DNA_30+60.ual:2.55-5.29,DNA_120.ual:3.00-5.00)
 &rst iat=1474,1480, r1= 2.05, r2= 2.55, r3= 5.29, r4= 5.79,  &end
#
#   96 DT5   H6     96 DT5   H7    1.83  3.03  (# DNA_30+60.ual:1.83-3.03,DNA_120.ual:3.00-5.00)
 &rst iat=1480,  -1, r1= 1.33, r2= 1.83, r3= 3.55, r4= 4.05,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1483,1484,1485,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   96 DT5   H6     96 DT5   Q5'   2.30  4.78  (# DNA_30+60.ual:2.30-4.78)
 &rst iat=1480,  -1, r1= 1.80, r2= 2.30, r3= 5.24, r4= 5.74,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1471,1472,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   96 DT5   H2'1   97 DT    H6    1.67  3.49  (# DNA_30+60.ual:1.67-3.49,DNA_120.ual:3.00-5.00)
 &rst iat=1495,1512, r1= 1.17, r2= 1.67, r3= 3.49, r4= 3.99,  &end
#
#   96 DT5   H2'2   97 DT    H6    2.16  4.48  (# DNA_30+60.ual:2.16-4.48,DNA_120.ual:3.00-5.00)
 &rst iat=1496,1512, r1= 1.66, r2= 2.16, r3= 4.48, r4= 4.98,  &end
#
#   96 DT5   H6     97 DT    H7    1.80  3.00  (# DNA_30+60.ual:1.80-3.00,DNA_120.ual:3.00-5.00)
 &rst iat=1480,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1515,1516,1517,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   97 DT    H1'    97 DT    H2'1  2.32  4.82  (# DNA_30+60.ual:2.32-4.82)
 &rst iat=1509,1527, r1= 1.82, r2= 2.32, r3= 4.82, r4= 5.32,  &end
#
#   97 DT    H1'    97 DT    H2'2  1.67  3.49  (# DNA_30+60.ual:1.67-3.49)
 &rst iat=1509,1528, r1= 1.17, r2= 1.67, r3= 3.49, r4= 3.99,  &end
#
#   97 DT    H1'    97 DT    H4'   2.29  4.77  (# DNA_30+60.ual:2.29-4.77)
 &rst iat=1509,1506, r1= 1.79, r2= 2.29, r3= 4.77, r4= 5.27,  &end
#
#   97 DT    H1'    97 DT    H6    2.24  3.74  (# DNA_30+60.ual:2.24-3.74,DNA_120.ual:3.00-5.00)
 &rst iat=1509,1512, r1= 1.74, r2= 2.24, r3= 3.74, r4= 4.24,  &end
#
#   97 DT    H2'1   97 DT    H3'   1.71  3.53  (# DNA_30+60.ual:1.71-3.53)
 &rst iat=1527,1525, r1= 1.21, r2= 1.71, r3= 3.53, r4= 4.03,  &end
#
#   97 DT    H2'1   97 DT    H6    1.58  3.26  (# DNA_30+60.ual:1.58-3.26,DNA_120.ual:3.00-5.00)
 &rst iat=1527,1512, r1= 1.08, r2= 1.58, r3= 3.26, r4= 3.76,  &end
#
#   97 DT    H3'    97 DT    H6    1.76  3.66  (# DNA_30+60.ual:1.76-3.66,DNA_120.ual:3.00-5.00)
 &rst iat=1525,1512, r1= 1.26, r2= 1.76, r3= 3.66, r4= 4.16,  &end
#
#   97 DT    H6     97 DT    H7    1.83  3.03  (# DNA_30+60.ual:1.83-3.03,DNA_120.ual:3.00-5.00)
 &rst iat=1512,  -1, r1= 1.33, r2= 1.83, r3= 3.55, r4= 4.05,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1515,1516,1517,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   97 DT    H1'    98 DG    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1509,1544, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#   97 DT    H2'1   98 DG    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1527,1544, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#   97 DT    H2'2   98 DG    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1528,1544, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#   97 DT    H3'    98 DG    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1525,1544, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#   97 DT    H1'   125 DA3   H2    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1509,2407, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#   98 DG    H1'    98 DG    H2'2  2.11  3.51  (# DNA_30+60.ual:2.11-3.51)
 &rst iat=1541,1561, r1= 1.61, r2= 2.11, r3= 3.51, r4= 4.01,  &end
#
#   98 DG    H1'    98 DG    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1541,1544, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#   98 DG    H2'1   98 DG    H3'   2.00  3.34  (# DNA_30+60.ual:2.00-3.34)
 &rst iat=1560,1558, r1= 1.50, r2= 2.00, r3= 3.34, r4= 3.84,  &end
#
#   98 DG    H2'1   98 DG    H8    2.16  3.60  (# DNA_30+60.ual:2.16-3.60,DNA_120.ual:3.00-5.00)
 &rst iat=1560,1544, r1= 1.66, r2= 2.16, r3= 3.60, r4= 4.10,  &end
#
#   98 DG    H2'2   98 DG    H3'   2.21  3.67  (# DNA_30+60.ual:2.21-3.67)
 &rst iat=1561,1558, r1= 1.71, r2= 2.21, r3= 3.67, r4= 4.17,  &end
#
#   98 DG    H2'2   98 DG    H8    2.88  4.81  (# DNA_30+60.ual:2.88-4.81,DNA_120.ual:3.00-5.00)
 &rst iat=1561,1544, r1= 2.38, r2= 2.88, r3= 4.81, r4= 5.31,  &end
#
#   98 DG    H3'    98 DG    H4'   2.25  3.75  (# DNA_30+60.ual:2.25-3.75)
 &rst iat=1558,1538, r1= 1.75, r2= 2.25, r3= 3.75, r4= 4.25,  &end
#
#   98 DG    H3'    98 DG    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1558,1544, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#   98 DG    H1'    99 DG    H8    2.58  3.50  (# DNA_30+60.ual:2.58-3.50,DNA_120.ual:3.00-5.00)
 &rst iat=1541,1577, r1= 2.08, r2= 2.58, r3= 3.50, r4= 4.00,  &end
#
#   98 DG    H2'1   99 DG    H8    2.56  4.26  (# DNA_30+60.ual:2.56-4.26,DNA_120.ual:3.00-5.00)
 &rst iat=1560,1577, r1= 2.06, r2= 2.56, r3= 4.26, r4= 4.76,  &end
#
#   99 DG    H1'    99 DG    H2'2  2.09  3.49  (# DNA_30+60.ual:2.09-3.49)
 &rst iat=1574,1594, r1= 1.59, r2= 2.09, r3= 3.49, r4= 3.99,  &end
#
#   99 DG    H1'    99 DG    H4'   2.86  4.76  (# DNA_30+60.ual:2.86-4.76)
 &rst iat=1574,1571, r1= 2.36, r2= 2.86, r3= 4.76, r4= 5.26,  &end
#
#   99 DG    H1'    99 DG    H8    2.97  4.01  (# DNA_30+60.ual:2.97-4.01,DNA_120.ual:3.00-5.00)
 &rst iat=1574,1577, r1= 2.47, r2= 2.97, r3= 4.01, r4= 4.51,  &end
#
#   99 DG    H2'1   99 DG    H3'   1.84  3.08  (# DNA_30+60.ual:1.84-3.08)
 &rst iat=1593,1591, r1= 1.34, r2= 1.84, r3= 3.08, r4= 3.58,  &end
#
#   99 DG    H3'    99 DG    H8    3.00  5.00  (# DNA_30+60.ual:3.40-5.66,DNA_120.ual:3.00-5.00)
 &rst iat=1591,1577, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#   99 DG    H4'    99 DG    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1571,1577, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#   99 DG    H8     99 DG    Q5'   3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1577,  -1, r1= 2.50, r2= 3.00, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1568,1569,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   99 DG    H1'   100 DA    H8    3.00  5.00  (# DNA_30+60.ual:3.52-4.76,DNA_120.ual:3.00-5.00)
 &rst iat=1574,1610, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#   99 DG    H2'2  100 DA    H8    1.98  3.28  (# DNA_30+60.ual:1.98-3.28,DNA_120.ual:3.00-5.00)
 &rst iat=1594,1610, r1= 1.48, r2= 1.98, r3= 3.28, r4= 3.78,  &end
#
#   99 DG    H3'   100 DA    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1591,1610, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  100 DA    H1'   100 DA    H2'2  1.99  3.33  (# DNA_30+60.ual:1.99-3.33)
 &rst iat=1607,1626, r1= 1.49, r2= 1.99, r3= 3.33, r4= 3.83,  &end
#
#  100 DA    H1'   100 DA    H8    3.00  5.00  (# DNA_30+60.ual:3.86-5.22,DNA_120.ual:3.00-5.00)
 &rst iat=1607,1610, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  100 DA    H2'1  100 DA    H3'   1.92  3.20  (# DNA_30+60.ual:1.92-3.20)
 &rst iat=1625,1623, r1= 1.42, r2= 1.92, r3= 3.20, r4= 3.70,  &end
#
#  100 DA    H2'2  100 DA    H8    2.17  3.62  (# DNA_30+60.ual:2.17-3.62,DNA_120.ual:3.00-5.00)
 &rst iat=1626,1610, r1= 1.67, r2= 2.17, r3= 3.62, r4= 4.12,  &end
#
#  100 DA    H3'   100 DA    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1623,1610, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  100 DA    H1'   101 DT    H6    2.90  3.92  (# DNA_30+60.ual:2.90-3.92,DNA_120.ual:3.00-5.00)
 &rst iat=1607,1642, r1= 2.40, r2= 2.90, r3= 3.92, r4= 4.42,  &end
#
#  100 DA    H2    101 DT    H1'   3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1619,1639, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  100 DA    H2'1  101 DT    H6    2.72  4.52  (# DNA_30+60.ual:2.72-4.52,DNA_120.ual:3.00-5.00)
 &rst iat=1625,1642, r1= 2.22, r2= 2.72, r3= 4.52, r4= 5.02,  &end
#
#  100 DA    H2'2  101 DT    H6    1.80  3.00  (# DNA_30+60.ual:1.80-3.00,DNA_120.ual:3.00-5.00)
 &rst iat=1626,1642, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  100 DA    H3'   101 DT    H6    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1623,1642, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  100 DA    H8    101 DT    H7    3.00  5.00  (# DNA_30+60.ual:3.44-4.66,DNA_120.ual:3.00-5.00)
 &rst iat=1610,  -1, r1= 2.50, r2= 3.00, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1645,1646,1647,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  100 DA    H2    122 DC    H1'   3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1619,2303, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  101 DT    H1'   101 DT    H2'1  2.45  4.09  (# DNA_30+60.ual:2.45-4.09)
 &rst iat=1639,1657, r1= 1.95, r2= 2.45, r3= 4.09, r4= 4.59,  &end
#
#  101 DT    H1'   101 DT    H2'2  1.84  3.08  (# DNA_30+60.ual:1.84-3.08)
 &rst iat=1639,1658, r1= 1.34, r2= 1.84, r3= 3.08, r4= 3.58,  &end
#
#  101 DT    H1'   101 DT    H4'   2.29  3.83  (# DNA_30+60.ual:2.29-3.83)
 &rst iat=1639,1636, r1= 1.79, r2= 2.29, r3= 3.83, r4= 4.33,  &end
#
#  101 DT    H1'   101 DT    H6    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1639,1642, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  101 DT    H2'1  101 DT    H3'   1.92  3.20  (# DNA_30+60.ual:1.92-3.20)
 &rst iat=1657,1655, r1= 1.42, r2= 1.92, r3= 3.20, r4= 3.70,  &end
#
#  101 DT    H2'1  101 DT    H6    1.71  2.85  (# DNA_30+60.ual:1.71-2.85,DNA_120.ual:3.00-5.00)
 &rst iat=1657,1642, r1= 1.21, r2= 1.71, r3= 2.85, r4= 3.35,  &end
#
#  101 DT    H2'2  101 DT    H3'   2.28  3.80  (# DNA_30+60.ual:2.28-3.80)
 &rst iat=1658,1655, r1= 1.78, r2= 2.28, r3= 3.80, r4= 4.30,  &end
#
#  101 DT    H2'2  101 DT    H6    2.18  3.64  (# DNA_30+60.ual:2.18-3.64,DNA_120.ual:3.00-5.00)
 &rst iat=1658,1642, r1= 1.68, r2= 2.18, r3= 3.64, r4= 4.14,  &end
#
#  101 DT    H3'   101 DT    H6    2.38  3.98  (# DNA_30+60.ual:2.38-3.98,DNA_120.ual:3.00-5.00)
 &rst iat=1655,1642, r1= 1.88, r2= 2.38, r3= 3.98, r4= 4.48,  &end
#
#  101 DT    H4'   101 DT    H6    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1636,1642, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  101 DT    H6    101 DT    H7    2.16  2.92  (# DNA_30+60.ual:2.16-2.92,DNA_120.ual:3.00-5.00)
 &rst iat=1642,  -1, r1= 1.66, r2= 2.16, r3= 3.43, r4= 3.93,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1645,1646,1647,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  101 DT    H1'   102 DG    H8    3.00  5.00  (# DNA_30+60.ual:3.82-5.16,DNA_120.ual:3.00-5.00)
 &rst iat=1639,1674, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  102 DG    H1'   102 DG    H2'2  1.98  3.28  (# DNA_30+60.ual:1.98-3.28)
 &rst iat=1671,1691, r1= 1.48, r2= 1.98, r3= 3.28, r4= 3.78,  &end
#
#  102 DG    H1'   102 DG    H4'   2.45  4.09  (# DNA_30+60.ual:2.45-4.09)
 &rst iat=1671,1668, r1= 1.95, r2= 2.45, r3= 4.09, r4= 4.59,  &end
#
#  102 DG    H1'   102 DG    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1671,1674, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  102 DG    H2'1  102 DG    H8    1.92  3.22  (# DNA_30+60.ual:1.92-3.22,DNA_120.ual:3.00-5.00)
 &rst iat=1690,1674, r1= 1.42, r2= 1.92, r3= 3.22, r4= 3.72,  &end
#
#  102 DG    H2'2  102 DG    H8    2.60  4.34  (# DNA_30+60.ual:2.60-4.34,DNA_120.ual:3.00-5.00)
 &rst iat=1691,1674, r1= 2.10, r2= 2.60, r3= 4.34, r4= 4.84,  &end
#
#  102 DG    H4'   102 DG    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1668,1674, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  102 DG    H1'   103 DG    H8    3.00  5.00  (# DNA_30+60.ual:3.12-4.22,DNA_120.ual:3.00-5.00)
 &rst iat=1671,1707, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  102 DG    H2'1  103 DG    H8    2.48  4.14  (# DNA_30+60.ual:2.48-4.14,DNA_120.ual:3.00-5.00)
 &rst iat=1690,1707, r1= 1.98, r2= 2.48, r3= 4.14, r4= 4.64,  &end
#
#  102 DG    H2'2  103 DG    H8    2.01  3.35  (# DNA_30+60.ual:2.01-3.35,DNA_120.ual:3.00-5.00)
 &rst iat=1691,1707, r1= 1.51, r2= 2.01, r3= 3.35, r4= 3.85,  &end
#
#  102 DG    H3'   103 DG    H8    2.81  4.67  (# DNA_30+60.ual:2.81-4.67,DNA_120.ual:3.00-5.00)
 &rst iat=1688,1707, r1= 2.31, r2= 2.81, r3= 4.67, r4= 5.17,  &end
#
#  103 DG    H1'   103 DG    H2'2  1.91  3.17  (# DNA_30+60.ual:1.91-3.17)
 &rst iat=1704,1724, r1= 1.41, r2= 1.91, r3= 3.17, r4= 3.67,  &end
#
#  103 DG    H1'   103 DG    H4'   1.99  3.31  (# DNA_30+60.ual:1.99-3.31)
 &rst iat=1704,1701, r1= 1.49, r2= 1.99, r3= 3.31, r4= 3.81,  &end
#
#  103 DG    H2'2  103 DG    H8    2.16  3.60  (# DNA_30+60.ual:2.16-3.60,DNA_120.ual:3.00-5.00)
 &rst iat=1724,1707, r1= 1.66, r2= 2.16, r3= 3.60, r4= 4.10,  &end
#
#  103 DG    H3'   103 DG    H4'   1.99  3.33  (# DNA_30+60.ual:1.99-3.33)
 &rst iat=1721,1701, r1= 1.49, r2= 1.99, r3= 3.33, r4= 3.83,  &end
#
#  103 DG    H3'   103 DG    Q5'   2.16  3.60  (# DNA_30+60.ual:2.16-3.60)
 &rst iat=1721,  -1, r1= 1.66, r2= 2.16, r3= 3.98, r4= 4.48,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1698,1699,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  103 DG    H2'2  104 DG    H8    2.42  4.02  (# DNA_30+60.ual:2.42-4.02,DNA_120.ual:3.00-5.00)
 &rst iat=1724,1740, r1= 1.92, r2= 2.42, r3= 4.02, r4= 4.52,  &end
#
#  104 DG    H1'   104 DG    H2'1  2.40  4.00  (# DNA_30+60.ual:2.40-4.00)
 &rst iat=1737,1756, r1= 1.90, r2= 2.40, r3= 4.00, r4= 4.50,  &end
#
#  104 DG    H1'   104 DG    H2'2  2.06  3.42  (# DNA_30+60.ual:2.06-3.42)
 &rst iat=1737,1757, r1= 1.56, r2= 2.06, r3= 3.42, r4= 3.92,  &end
#
#  104 DG    H1'   104 DG    H4'   2.18  3.64  (# DNA_30+60.ual:2.18-3.64)
 &rst iat=1737,1734, r1= 1.68, r2= 2.18, r3= 3.64, r4= 4.14,  &end
#
#  104 DG    H1'   104 DG    H8    3.00  5.00  (# DNA_30+60.ual:3.34-4.52,DNA_120.ual:3.00-5.00)
 &rst iat=1737,1740, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  104 DG    H2'1  104 DG    H3'   1.80  3.00  (# DNA_30+60.ual:1.80-3.00)
 &rst iat=1756,1754, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  104 DG    H2'1  104 DG    H8    2.09  3.49  (# DNA_30+60.ual:2.09-3.49,DNA_120.ual:3.00-5.00)
 &rst iat=1756,1740, r1= 1.59, r2= 2.09, r3= 3.49, r4= 3.99,  &end
#
#  104 DG    H2'2  104 DG    H8    2.43  4.07  (# DNA_30+60.ual:2.43-4.07,DNA_120.ual:3.00-5.00)
 &rst iat=1757,1740, r1= 1.93, r2= 2.43, r3= 4.07, r4= 4.57,  &end
#
#  104 DG    H3'   104 DG    H4'   2.24  3.74  (# DNA_30+60.ual:2.24-3.74)
 &rst iat=1754,1734, r1= 1.74, r2= 2.24, r3= 3.74, r4= 4.24,  &end
#
#  104 DG    H1'   105 DA    H8    2.56  3.46  (# DNA_30+60.ual:2.56-3.46,DNA_120.ual:3.00-5.00)
 &rst iat=1737,1773, r1= 2.06, r2= 2.56, r3= 3.46, r4= 3.96,  &end
#
#  104 DG    H2'2  105 DA    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1757,1773, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  105 DA    H1'   105 DA    H2    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1770,1782, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  105 DA    H1'   105 DA    H2'1  2.18  3.64  (# DNA_30+60.ual:2.18-3.64)
 &rst iat=1770,1788, r1= 1.68, r2= 2.18, r3= 3.64, r4= 4.14,  &end
#
#  105 DA    H1'   105 DA    H2'2  1.84  3.08  (# DNA_30+60.ual:1.84-3.08)
 &rst iat=1770,1789, r1= 1.34, r2= 1.84, r3= 3.08, r4= 3.58,  &end
#
#  105 DA    H1'   105 DA    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1770,1773, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  105 DA    H2'2  105 DA    H3'   1.91  3.19  (# DNA_30+60.ual:1.91-3.19)
 &rst iat=1789,1786, r1= 1.41, r2= 1.91, r3= 3.19, r4= 3.69,  &end
#
#  105 DA    H2'2  105 DA    H8    2.34  3.90  (# DNA_30+60.ual:2.34-3.90,DNA_120.ual:3.00-5.00)
 &rst iat=1789,1773, r1= 1.84, r2= 2.34, r3= 3.90, r4= 4.40,  &end
#
#  105 DA    H3'   105 DA    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1786,1773, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  105 DA    H3'   105 DA    Q5'   2.06  3.44  (# DNA_30+60.ual:2.06-3.44)
 &rst iat=1786,  -1, r1= 1.56, r2= 2.06, r3= 3.81, r4= 4.31,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1764,1765,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  105 DA    H8    105 DA    Q5'   3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1773,  -1, r1= 2.50, r2= 3.00, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1764,1765,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  105 DA    H1'   106 DG    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1770,1805, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  105 DA    H2'1  106 DG    H8    3.00  5.00  (# DNA_30+60.ual:3.09-5.15,DNA_120.ual:3.00-5.00)
 &rst iat=1788,1805, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  105 DA    H2'2  106 DG    H8    2.37  3.94  (# DNA_30+60.ual:2.37-3.94,DNA_120.ual:3.00-5.00)
 &rst iat=1789,1805, r1= 1.87, r2= 2.37, r3= 3.94, r4= 4.44,  &end
#
#  105 DA    H3'   106 DG    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1786,1805, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  105 DA    H2    117 DC    H1'   2.44  3.30  (# DNA_30+60.ual:2.44-3.30,DNA_120.ual:3.00-5.00)
 &rst iat=1782,2149, r1= 1.94, r2= 2.44, r3= 3.30, r4= 3.80,  &end
#
#  106 DG    H1'   106 DG    H2'1  2.49  4.15  (# DNA_30+60.ual:2.49-4.15)
 &rst iat=1802,1821, r1= 1.99, r2= 2.49, r3= 4.15, r4= 4.65,  &end
#
#  106 DG    H1'   106 DG    H2'2  1.93  3.23  (# DNA_30+60.ual:1.93-3.23)
 &rst iat=1802,1822, r1= 1.43, r2= 1.93, r3= 3.23, r4= 3.73,  &end
#
#  106 DG    H1'   106 DG    H4'   2.38  3.98  (# DNA_30+60.ual:2.38-3.98)
 &rst iat=1802,1799, r1= 1.88, r2= 2.38, r3= 3.98, r4= 4.48,  &end
#
#  106 DG    H1'   106 DG    H8    3.00  5.00  (# DNA_30+60.ual:3.71-5.03,DNA_120.ual:3.00-5.00)
 &rst iat=1802,1805, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  106 DG    H2'1  106 DG    H8    2.13  3.53  (# DNA_30+60.ual:2.13-3.53,DNA_120.ual:3.00-5.00)
 &rst iat=1821,1805, r1= 1.63, r2= 2.13, r3= 3.53, r4= 4.03,  &end
#
#  106 DG    H2'2  106 DG    H8    3.00  5.00  (# DNA_30+60.ual:3.12-5.20,DNA_120.ual:3.00-5.00)
 &rst iat=1822,1805, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  106 DG    H3'   106 DG    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1819,1805, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  106 DG    H1'   107 DA    H8    3.00  5.00  (# DNA_30+60.ual:3.21-4.35,DNA_120.ual:3.00-5.00)
 &rst iat=1802,1838, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  106 DG    H2'1  107 DA    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1821,1838, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  106 DG    H2'2  107 DA    H8    1.97  3.27  (# DNA_30+60.ual:1.97-3.27,DNA_120.ual:3.00-5.00)
 &rst iat=1822,1838, r1= 1.47, r2= 1.97, r3= 3.27, r4= 3.77,  &end
#
#  107 DA    H1'   107 DA    H2'2  1.83  3.03  (# DNA_30+60.ual:1.83-3.03)
 &rst iat=1835,1854, r1= 1.33, r2= 1.83, r3= 3.03, r4= 3.53,  &end
#
#  107 DA    H1'   107 DA    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1835,1838, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  107 DA    H2'1  107 DA    H8    2.06  3.42  (# DNA_30+60.ual:2.06-3.42,DNA_120.ual:3.00-5.00)
 &rst iat=1853,1838, r1= 1.56, r2= 2.06, r3= 3.42, r4= 3.92,  &end
#
#  107 DA    H3'   107 DA    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1851,1838, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  107 DA    H1'   108 DC    H6    3.00  5.00  (# DNA_30+60.ual:3.18-4.30,DNA_120.ual:3.00-5.00)
 &rst iat=1835,1870, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  107 DA    H2    108 DC    H1'   3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1847,1867, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  107 DA    H2'1  108 DC    H6    2.18  3.64  (# DNA_30+60.ual:2.18-3.64,DNA_120.ual:3.00-5.00)
 &rst iat=1853,1870, r1= 1.68, r2= 2.18, r3= 3.64, r4= 4.14,  &end
#
#  107 DA    H2'2  108 DC    H6    1.86  3.10  (# DNA_30+60.ual:1.86-3.10,DNA_120.ual:3.00-5.00)
 &rst iat=1854,1870, r1= 1.36, r2= 1.86, r3= 3.10, r4= 3.60,  &end
#
#  107 DA    H3'   108 DC    H6    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1851,1870, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  107 DA    H8    108 DC    H5    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1838,1872, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  107 DA    H2    115 DC    H1'   3.00  5.00  (# DNA_30+60.ual:3.26-4.40,DNA_120.ual:3.00-5.00)
 &rst iat=1847,2087, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  108 DC    H1'   108 DC    H2'2  1.77  2.94  (# DNA_30+60.ual:1.77-2.94)
 &rst iat=1867,1884, r1= 1.27, r2= 1.77, r3= 2.94, r4= 3.44,  &end
#
#  108 DC    H1'   108 DC    H4'   2.06  3.44  (# DNA_30+60.ual:2.06-3.44)
 &rst iat=1867,1864, r1= 1.56, r2= 2.06, r3= 3.44, r4= 3.94,  &end
#
#  108 DC    H1'   108 DC    H6    2.93  3.97  (# DNA_30+60.ual:2.93-3.97,DNA_120.ual:3.00-5.00)
 &rst iat=1867,1870, r1= 2.43, r2= 2.93, r3= 3.97, r4= 4.47,  &end
#
#  108 DC    H2'1  108 DC    H6    1.73  2.89  (# DNA_30+60.ual:1.73-2.89,DNA_120.ual:3.00-5.00)
 &rst iat=1883,1870, r1= 1.23, r2= 1.73, r3= 2.89, r4= 3.39,  &end
#
#  108 DC    H2'2  108 DC    H6    2.58  4.28  (# DNA_30+60.ual:2.58-4.28,DNA_120.ual:3.00-5.00)
 &rst iat=1884,1870, r1= 2.08, r2= 2.58, r3= 4.28, r4= 4.78,  &end
#
#  108 DC    H3'   108 DC    H6    2.67  4.47  (# DNA_30+60.ual:2.67-4.47,DNA_120.ual:3.00-5.00)
 &rst iat=1881,1870, r1= 2.17, r2= 2.67, r3= 4.47, r4= 4.97,  &end
#
#  108 DC    H4'   108 DC    H6    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1864,1870, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  108 DC    H5    108 DC    H6    2.01  2.73  (# DNA_30+60.ual:2.01-2.73,DNA_120.ual:3.00-5.00)
 &rst iat=1872,1870, r1= 1.51, r2= 2.01, r3= 2.73, r4= 3.23,  &end
#
#  108 DC    H1'   109 DC    H6    3.00  5.00  (# DNA_30+60.ual:3.83-5.17,DNA_120.ual:3.00-5.00)
 &rst iat=1867,1900, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  108 DC    H2'2  109 DC    H6    2.14  3.58  (# DNA_30+60.ual:2.14-3.58,DNA_120.ual:3.00-5.00)
 &rst iat=1884,1900, r1= 1.64, r2= 2.14, r3= 3.58, r4= 4.08,  &end
#
#  108 DC    H6    109 DC    H5    3.00  5.00  (# DNA_30+60.ual:3.29-4.45,DNA_120.ual:3.00-5.00)
 &rst iat=1870,1902, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  109 DC    H1'   109 DC    H2'1  2.17  3.62  (# DNA_30+60.ual:2.17-3.62)
 &rst iat=1897,1913, r1= 1.67, r2= 2.17, r3= 3.62, r4= 4.12,  &end
#
#  109 DC    H1'   109 DC    H4'   2.03  3.39  (# DNA_30+60.ual:2.03-3.39)
 &rst iat=1897,1894, r1= 1.53, r2= 2.03, r3= 3.39, r4= 3.89,  &end
#
#  109 DC    H1'   109 DC    H6    3.00  5.00  (# DNA_30+60.ual:3.19-4.31,DNA_120.ual:3.00-5.00)
 &rst iat=1897,1900, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  109 DC    H2'2  109 DC    H3'   2.13  3.56  (# DNA_30+60.ual:2.13-3.56)
 &rst iat=1914,1911, r1= 1.63, r2= 2.13, r3= 3.56, r4= 4.06,  &end
#
#  109 DC    H2'2  109 DC    H6    2.35  3.91  (# DNA_30+60.ual:2.35-3.91,DNA_120.ual:3.00-5.00)
 &rst iat=1914,1900, r1= 1.85, r2= 2.35, r3= 3.91, r4= 4.41,  &end
#
#  109 DC    H3'   109 DC    H4'   2.07  3.47  (# DNA_30+60.ual:2.07-3.47)
 &rst iat=1911,1894, r1= 1.57, r2= 2.07, r3= 3.47, r4= 3.97,  &end
#
#  109 DC    H4'   109 DC    H6    2.56  4.26  (# DNA_30+60.ual:2.56-4.26,DNA_120.ual:3.00-5.00)
 &rst iat=1894,1900, r1= 2.06, r2= 2.56, r3= 4.26, r4= 4.76,  &end
#
#  109 DC    H5    109 DC    H6    1.98  2.68  (# DNA_30+60.ual:1.98-2.68,DNA_120.ual:3.00-5.00)
 &rst iat=1902,1900, r1= 1.48, r2= 1.98, r3= 2.68, r4= 3.18,  &end
#
#  109 DC    H1'   110 DG3   H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1897,1930, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  109 DC    H2'1  110 DG3   H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1913,1930, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  109 DC    H2'2  110 DG3   H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1914,1930, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  109 DC    H3'   110 DG3   H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1911,1930, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  110 DG3   H1'   110 DG3   H2'1  1.70  3.52  (# DNA_30+60.ual:1.70-3.52)
 &rst iat=1927,1946, r1= 1.20, r2= 1.70, r3= 3.52, r4= 4.02,  &end
#
#  110 DG3   H1'   110 DG3   H2'2  1.46  3.04  (# DNA_30+60.ual:1.46-3.04)
 &rst iat=1927,1947, r1= 0.96, r2= 1.46, r3= 3.04, r4= 3.54,  &end
#
#  110 DG3   H1'   110 DG3   H4'   2.29  4.77  (# DNA_30+60.ual:2.29-4.77)
 &rst iat=1927,1924, r1= 1.79, r2= 2.29, r3= 4.77, r4= 5.27,  &end
#
#  110 DG3   H1'   110 DG3   H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1927,1930, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  110 DG3   H2'2  110 DG3   H8    1.82  3.78  (# DNA_30+60.ual:1.82-3.78,DNA_120.ual:3.00-5.00)
 &rst iat=1947,1930, r1= 1.32, r2= 1.82, r3= 3.78, r4= 4.28,  &end
#
#  110 DG3   H3'   110 DG3   H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1944,1930, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  110 DG3   H4'   110 DG3   H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1924,1930, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  111 DC5   H1'   111 DC5   H2'1  2.10  4.34  (# DNA_30+60.ual:2.10-4.34)
 &rst iat=1959,1975, r1= 1.60, r2= 2.10, r3= 4.34, r4= 4.84,  &end
#
#  111 DC5   H1'   111 DC5   H4'   1.74  3.62  (# DNA_30+60.ual:1.74-3.62)
 &rst iat=1959,1956, r1= 1.24, r2= 1.74, r3= 3.62, r4= 4.12,  &end
#
#  111 DC5   H1'   111 DC5   H6    2.39  3.99  (# DNA_30+60.ual:2.39-3.99,DNA_120.ual:3.00-5.00)
 &rst iat=1959,1962, r1= 1.89, r2= 2.39, r3= 3.99, r4= 4.49,  &end
#
#  111 DC5   H2'1  111 DC5   H6    1.80  3.72  (# DNA_30+60.ual:1.80-3.72,DNA_120.ual:3.00-5.00)
 &rst iat=1975,1962, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  111 DC5   H2'2  111 DC5   H6    1.93  3.99  (# DNA_30+60.ual:1.93-3.99,DNA_120.ual:3.00-5.00)
 &rst iat=1976,1962, r1= 1.43, r2= 1.93, r3= 3.99, r4= 4.49,  &end
#
#  111 DC5   H3'   111 DC5   H6    2.55  5.31  (# DNA_30+60.ual:2.55-5.31,DNA_120.ual:3.00-5.00)
 &rst iat=1973,1962, r1= 2.05, r2= 2.55, r3= 5.31, r4= 5.81,  &end
#
#  111 DC5   H3'   111 DC5   Q5'   2.01  4.17  (# DNA_30+60.ual:2.01-4.17)
 &rst iat=1973,  -1, r1= 1.51, r2= 2.01, r3= 4.59, r4= 5.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1953,1954,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  111 DC5   H5    111 DC5   H6    1.76  2.92  (# DNA_30+60.ual:1.76-2.92,DNA_120.ual:3.00-5.00)
 &rst iat=1964,1962, r1= 1.26, r2= 1.76, r3= 2.92, r4= 3.42,  &end
#
#  111 DC5   H1'   112 DG    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1959,1992, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  111 DC5   H2'1  112 DG    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1975,1992, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  111 DC5   H3'   112 DG    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1973,1992, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  112 DG    H1'   112 DG    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1989,1992, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  112 DG    H2'2  112 DG    H3'   1.87  3.13  (# DNA_30+60.ual:1.87-3.13)
 &rst iat=2009,2006, r1= 1.37, r2= 1.87, r3= 3.13, r4= 3.63,  &end
#
#  112 DG    H3'   112 DG    H4'   2.49  4.15  (# DNA_30+60.ual:2.49-4.15)
 &rst iat=2006,1986, r1= 1.99, r2= 2.49, r3= 4.15, r4= 4.65,  &end
#
#  112 DG    H3'   112 DG    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2006,1992, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  112 DG    H4'   112 DG    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1986,1992, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  112 DG    H1'   113 DG    H8    2.78  3.76  (# DNA_30+60.ual:2.78-3.76,DNA_120.ual:3.00-5.00)
 &rst iat=1989,2025, r1= 2.28, r2= 2.78, r3= 3.76, r4= 4.26,  &end
#
#  112 DG    H3'   113 DG    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2006,2025, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  113 DG    H1'   113 DG    H2'1  2.15  3.59  (# DNA_30+60.ual:2.15-3.59)
 &rst iat=2022,2041, r1= 1.65, r2= 2.15, r3= 3.59, r4= 4.09,  &end
#
#  113 DG    H1'   113 DG    H2'2  1.80  3.00  (# DNA_30+60.ual:1.80-3.00)
 &rst iat=2022,2042, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  113 DG    H1'   113 DG    H4'   2.48  4.13  (# DNA_30+60.ual:2.48-4.13)
 &rst iat=2022,2019, r1= 1.98, r2= 2.48, r3= 4.13, r4= 4.63,  &end
#
#  113 DG    H1'   113 DG    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2022,2025, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  113 DG    H2'1  113 DG    H8    1.97  3.27  (# DNA_30+60.ual:1.97-3.27,DNA_120.ual:3.00-5.00)
 &rst iat=2041,2025, r1= 1.47, r2= 1.97, r3= 3.27, r4= 3.77,  &end
#
#  113 DG    H2'2  113 DG    H8    2.82  4.72  (# DNA_30+60.ual:2.82-4.72,DNA_120.ual:3.00-5.00)
 &rst iat=2042,2025, r1= 2.32, r2= 2.82, r3= 4.72, r4= 5.22,  &end
#
#  113 DG    H3'   113 DG    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2039,2025, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  113 DG    H2'1  114 DT    H6    2.43  4.07  (# DNA_30+60.ual:2.43-4.07,DNA_120.ual:3.00-5.00)
 &rst iat=2041,2058, r1= 1.93, r2= 2.43, r3= 4.07, r4= 4.57,  &end
#
#  113 DG    H2'2  114 DT    H6    1.77  2.95  (# DNA_30+60.ual:1.77-2.95,DNA_120.ual:3.00-5.00)
 &rst iat=2042,2058, r1= 1.27, r2= 1.77, r3= 2.95, r4= 3.45,  &end
#
#  113 DG    H8    114 DT    H7    3.00  5.00  (# DNA_30+60.ual:3.24-4.38,DNA_120.ual:3.00-5.00)
 &rst iat=2025,  -1, r1= 2.50, r2= 3.00, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2061,2062,2063,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  114 DT    H1'   114 DT    H2'2  1.87  3.13  (# DNA_30+60.ual:1.87-3.13)
 &rst iat=2055,2074, r1= 1.37, r2= 1.87, r3= 3.13, r4= 3.63,  &end
#
#  114 DT    H1'   114 DT    H4'   2.22  3.70  (# DNA_30+60.ual:2.22-3.70)
 &rst iat=2055,2052, r1= 1.72, r2= 2.22, r3= 3.70, r4= 4.20,  &end
#
#  114 DT    H2'1  114 DT    H6    1.61  2.67  (# DNA_30+60.ual:1.61-2.67,DNA_120.ual:3.00-5.00)
 &rst iat=2073,2058, r1= 1.11, r2= 1.61, r3= 2.67, r4= 3.17,  &end
#
#  114 DT    H2'2  114 DT    H3'   2.03  3.39  (# DNA_30+60.ual:2.03-3.39)
 &rst iat=2074,2071, r1= 1.53, r2= 2.03, r3= 3.39, r4= 3.89,  &end
#
#  114 DT    H2'2  114 DT    H6    2.14  3.58  (# DNA_30+60.ual:2.14-3.58,DNA_120.ual:3.00-5.00)
 &rst iat=2074,2058, r1= 1.64, r2= 2.14, r3= 3.58, r4= 4.08,  &end
#
#  114 DT    H4'   114 DT    H6    2.68  4.48  (# DNA_30+60.ual:2.68-4.48,DNA_120.ual:3.00-5.00)
 &rst iat=2052,2058, r1= 2.18, r2= 2.68, r3= 4.48, r4= 4.98,  &end
#
#  114 DT    H6    114 DT    H7    2.07  2.79  (# DNA_30+60.ual:2.07-2.79,DNA_120.ual:3.00-5.00)
 &rst iat=2058,  -1, r1= 1.57, r2= 2.07, r3= 3.28, r4= 3.78,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2061,2062,2063,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  114 DT    H1'   115 DC    H6    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2055,2090, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  114 DT    H2'2  115 DC    H6    1.96  3.26  (# DNA_30+60.ual:1.96-3.26,DNA_120.ual:3.00-5.00)
 &rst iat=2074,2090, r1= 1.46, r2= 1.96, r3= 3.26, r4= 3.76,  &end
#
#  114 DT    H3'   115 DC    H6    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2071,2090, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  114 DT    H6    115 DC    H5    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2058,2092, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  115 DC    H1'   115 DC    H2'2  1.80  3.00  (# DNA_30+60.ual:1.80-3.00)
 &rst iat=2087,2104, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  115 DC    H1'   115 DC    H4'   2.04  3.40  (# DNA_30+60.ual:2.04-3.40)
 &rst iat=2087,2084, r1= 1.54, r2= 2.04, r3= 3.40, r4= 3.90,  &end
#
#  115 DC    H1'   115 DC    H6    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2087,2090, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  115 DC    H2'2  115 DC    H6    2.72  4.52  (# DNA_30+60.ual:2.72-4.52,DNA_120.ual:3.00-5.00)
 &rst iat=2104,2090, r1= 2.22, r2= 2.72, r3= 4.52, r4= 5.02,  &end
#
#  115 DC    H3'   115 DC    H6    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2101,2090, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  115 DC    H5    115 DC    H6    2.14  2.90  (# DNA_30+60.ual:2.14-2.90,DNA_120.ual:3.00-5.00)
 &rst iat=2092,2090, r1= 1.64, r2= 2.14, r3= 2.90, r4= 3.40,  &end
#
#  115 DC    H1'   116 DT    H6    3.00  5.00  (# DNA_30+60.ual:3.30-4.46,DNA_120.ual:3.00-5.00)
 &rst iat=2087,2120, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  115 DC    H2'1  116 DT    H6    2.19  3.65  (# DNA_30+60.ual:2.19-3.65,DNA_120.ual:3.00-5.00)
 &rst iat=2103,2120, r1= 1.69, r2= 2.19, r3= 3.65, r4= 4.15,  &end
#
#  115 DC    H2'2  116 DT    H6    2.02  3.38  (# DNA_30+60.ual:2.02-3.38,DNA_120.ual:3.00-5.00)
 &rst iat=2104,2120, r1= 1.52, r2= 2.02, r3= 3.38, r4= 3.88,  &end
#
#  116 DT    H1'   116 DT    H4'   1.99  3.31  (# DNA_30+60.ual:1.99-3.31)
 &rst iat=2117,2114, r1= 1.49, r2= 1.99, r3= 3.31, r4= 3.81,  &end
#
#  116 DT    H1'   116 DT    H6    3.00  5.00  (# DNA_30+60.ual:3.09-4.17,DNA_120.ual:3.00-5.00)
 &rst iat=2117,2120, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  116 DT    H2'1  116 DT    H3'   1.66  2.76  (# DNA_30+60.ual:1.66-2.76)
 &rst iat=2135,2133, r1= 1.16, r2= 1.66, r3= 2.76, r4= 3.26,  &end
#
#  116 DT    H2'1  116 DT    H6    1.64  2.74  (# DNA_30+60.ual:1.64-2.74,DNA_120.ual:3.00-5.00)
 &rst iat=2135,2120, r1= 1.14, r2= 1.64, r3= 2.74, r4= 3.24,  &end
#
#  116 DT    H2'2  116 DT    H3'   2.06  3.44  (# DNA_30+60.ual:2.06-3.44)
 &rst iat=2136,2133, r1= 1.56, r2= 2.06, r3= 3.44, r4= 3.94,  &end
#
#  116 DT    H2'2  116 DT    H6    2.36  3.92  (# DNA_30+60.ual:2.36-3.92,DNA_120.ual:3.00-5.00)
 &rst iat=2136,2120, r1= 1.86, r2= 2.36, r3= 3.92, r4= 4.42,  &end
#
#  116 DT    H3'   116 DT    H6    2.49  4.15  (# DNA_30+60.ual:2.49-4.15,DNA_120.ual:3.00-5.00)
 &rst iat=2133,2120, r1= 1.99, r2= 2.49, r3= 4.15, r4= 4.65,  &end
#
#  116 DT    H4'   116 DT    H6    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2114,2120, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  116 DT    H6    116 DT    H7    2.06  2.78  (# DNA_30+60.ual:2.06-2.78,DNA_120.ual:3.00-5.00)
 &rst iat=2120,  -1, r1= 1.56, r2= 2.06, r3= 3.27, r4= 3.77,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2123,2124,2125,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  116 DT    H1'   117 DC    H6    2.86  3.88  (# DNA_30+60.ual:2.86-3.88,DNA_120.ual:3.00-5.00)
 &rst iat=2117,2152, r1= 2.36, r2= 2.86, r3= 3.88, r4= 4.38,  &end
#
#  116 DT    H2'1  117 DC    H6    2.13  3.56  (# DNA_30+60.ual:2.13-3.56,DNA_120.ual:3.00-5.00)
 &rst iat=2135,2152, r1= 1.63, r2= 2.13, r3= 3.56, r4= 4.06,  &end
#
#  116 DT    H2'2  117 DC    H6    1.89  3.15  (# DNA_30+60.ual:1.89-3.15,DNA_120.ual:3.00-5.00)
 &rst iat=2136,2152, r1= 1.39, r2= 1.89, r3= 3.15, r4= 3.65,  &end
#
#  116 DT    H3'   117 DC    H6    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2133,2152, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  117 DC    H1'   117 DC    H4'   1.92  3.20  (# DNA_30+60.ual:1.92-3.20)
 &rst iat=2149,2146, r1= 1.42, r2= 1.92, r3= 3.20, r4= 3.70,  &end
#
#  117 DC    H1'   117 DC    H6    2.77  3.75  (# DNA_30+60.ual:2.77-3.75,DNA_120.ual:3.00-5.00)
 &rst iat=2149,2152, r1= 2.27, r2= 2.77, r3= 3.75, r4= 4.25,  &end
#
#  117 DC    H2'1  117 DC    H6    1.95  3.25  (# DNA_30+60.ual:1.95-3.25,DNA_120.ual:3.00-5.00)
 &rst iat=2165,2152, r1= 1.45, r2= 1.95, r3= 3.25, r4= 3.75,  &end
#
#  117 DC    H3'   117 DC    H6    2.30  3.84  (# DNA_30+60.ual:2.30-3.84,DNA_120.ual:3.00-5.00)
 &rst iat=2163,2152, r1= 1.80, r2= 2.30, r3= 3.84, r4= 4.34,  &end
#
#  117 DC    H5    117 DC    H6    2.12  2.88  (# DNA_30+60.ual:2.12-2.88,DNA_120.ual:3.00-5.00)
 &rst iat=2154,2152, r1= 1.62, r2= 2.12, r3= 2.88, r4= 3.38,  &end
#
#  117 DC    H1'   118 DC    H6    3.00  5.00  (# DNA_30+60.ual:3.08-4.16,DNA_120.ual:3.00-5.00)
 &rst iat=2149,2182, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  117 DC    H2'1  118 DC    H6    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2165,2182, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  117 DC    H2'2  118 DC    H6    1.94  3.24  (# DNA_30+60.ual:1.94-3.24,DNA_120.ual:3.00-5.00)
 &rst iat=2166,2182, r1= 1.44, r2= 1.94, r3= 3.24, r4= 3.74,  &end
#
#  117 DC    H6    118 DC    H5    3.00  5.00  (# DNA_30+60.ual:3.43-4.65,DNA_120.ual:3.00-5.00)
 &rst iat=2152,2184, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  118 DC    H1'   118 DC    H2'1  2.30  3.84  (# DNA_30+60.ual:2.30-3.84)
 &rst iat=2179,2195, r1= 1.80, r2= 2.30, r3= 3.84, r4= 4.34,  &end
#
#  118 DC    H1'   118 DC    H2'2  1.75  2.91  (# DNA_30+60.ual:1.75-2.91)
 &rst iat=2179,2196, r1= 1.25, r2= 1.75, r3= 2.91, r4= 3.41,  &end
#
#  118 DC    H1'   118 DC    H4'   2.26  3.76  (# DNA_30+60.ual:2.26-3.76)
 &rst iat=2179,2176, r1= 1.76, r2= 2.26, r3= 3.76, r4= 4.26,  &end
#
#  118 DC    H1'   118 DC    H6    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2179,2182, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  118 DC    H2'1  118 DC    H6    1.69  2.83  (# DNA_30+60.ual:1.69-2.83,DNA_120.ual:3.00-5.00)
 &rst iat=2195,2182, r1= 1.19, r2= 1.69, r3= 2.83, r4= 3.33,  &end
#
#  118 DC    H2'2  118 DC    H6    2.63  4.38  (# DNA_30+60.ual:2.63-4.38,DNA_120.ual:3.00-5.00)
 &rst iat=2196,2182, r1= 2.13, r2= 2.63, r3= 4.38, r4= 4.88,  &end
#
#  118 DC    H4'   118 DC    H6    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2176,2182, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  118 DC    H5    118 DC    H6    2.01  2.71  (# DNA_30+60.ual:2.01-2.71,DNA_120.ual:3.00-5.00)
 &rst iat=2184,2182, r1= 1.51, r2= 2.01, r3= 2.71, r4= 3.21,  &end
#
#  118 DC    H1'   119 DC    H6    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2179,2212, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  118 DC    H2'1  119 DC    H6    2.24  3.74  (# DNA_30+60.ual:2.24-3.74,DNA_120.ual:3.00-5.00)
 &rst iat=2195,2212, r1= 1.74, r2= 2.24, r3= 3.74, r4= 4.24,  &end
#
#  118 DC    H3'   119 DC    H6    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2193,2212, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  119 DC    H1'   119 DC    H2'2  1.83  3.03  (# DNA_30+60.ual:1.83-3.03)
 &rst iat=2209,2226, r1= 1.33, r2= 1.83, r3= 3.03, r4= 3.53,  &end
#
#  119 DC    H1'   119 DC    H4'   2.38  3.98  (# DNA_30+60.ual:2.38-3.98)
 &rst iat=2209,2206, r1= 1.88, r2= 2.38, r3= 3.98, r4= 4.48,  &end
#
#  119 DC    H1'   119 DC    H6    2.90  3.92  (# DNA_30+60.ual:2.90-3.92,DNA_120.ual:3.00-5.00)
 &rst iat=2209,2212, r1= 2.40, r2= 2.90, r3= 3.92, r4= 4.42,  &end
#
#  119 DC    H2'1  119 DC    H6    1.62  2.70  (# DNA_30+60.ual:1.62-2.70,DNA_120.ual:3.00-5.00)
 &rst iat=2225,2212, r1= 1.12, r2= 1.62, r3= 2.70, r4= 3.20,  &end
#
#  119 DC    H2'2  119 DC    H3'   1.96  3.26  (# DNA_30+60.ual:1.96-3.26)
 &rst iat=2226,2223, r1= 1.46, r2= 1.96, r3= 3.26, r4= 3.76,  &end
#
#  119 DC    H5    119 DC    H6    2.07  2.79  (# DNA_30+60.ual:2.07-2.79,DNA_120.ual:3.00-5.00)
 &rst iat=2214,2212, r1= 1.57, r2= 2.07, r3= 2.79, r4= 3.29,  &end
#
#  119 DC    H1'   120 DA    H8    3.00  5.00  (# DNA_30+60.ual:3.59-4.85,DNA_120.ual:3.00-5.00)
 &rst iat=2209,2242, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  119 DC    H2'1  120 DA    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2225,2242, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  119 DC    H2'2  120 DA    H8    2.18  3.64  (# DNA_30+60.ual:2.18-3.64,DNA_120.ual:3.00-5.00)
 &rst iat=2226,2242, r1= 1.68, r2= 2.18, r3= 3.64, r4= 4.14,  &end
#
#  119 DC    H3'   120 DA    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2223,2242, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  120 DA    H1'   120 DA    H2    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2239,2251, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  120 DA    H1'   120 DA    H2'1  2.29  3.83  (# DNA_30+60.ual:2.29-3.83)
 &rst iat=2239,2257, r1= 1.79, r2= 2.29, r3= 3.83, r4= 4.33,  &end
#
#  120 DA    H1'   120 DA    H2'2  1.77  2.94  (# DNA_30+60.ual:1.77-2.94)
 &rst iat=2239,2258, r1= 1.27, r2= 1.77, r3= 2.94, r4= 3.44,  &end
#
#  120 DA    H1'   120 DA    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2239,2242, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  120 DA    H2'1  120 DA    H8    1.84  3.07  (# DNA_30+60.ual:1.84-3.07,DNA_120.ual:3.00-5.00)
 &rst iat=2257,2242, r1= 1.34, r2= 1.84, r3= 3.07, r4= 3.57,  &end
#
#  120 DA    H2'2  120 DA    H8    2.48  4.13  (# DNA_30+60.ual:2.48-4.13,DNA_120.ual:3.00-5.00)
 &rst iat=2258,2242, r1= 1.98, r2= 2.48, r3= 4.13, r4= 4.63,  &end
#
#  120 DA    H3'   120 DA    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2255,2242, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  120 DA    H4'   120 DA    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2236,2242, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  120 DA    H1'   121 DT    H6    2.78  3.76  (# DNA_30+60.ual:2.78-3.76,DNA_120.ual:3.00-5.00)
 &rst iat=2239,2274, r1= 2.28, r2= 2.78, r3= 3.76, r4= 4.26,  &end
#
#  120 DA    H2    121 DT    H1'   3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2251,2271, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  120 DA    H2'1  121 DT    H6    1.99  3.31  (# DNA_30+60.ual:1.99-3.31,DNA_120.ual:3.00-5.00)
 &rst iat=2257,2274, r1= 1.49, r2= 1.99, r3= 3.31, r4= 3.81,  &end
#
#  120 DA    H2'2  121 DT    H6    1.88  3.14  (# DNA_30+60.ual:1.88-3.14,DNA_120.ual:3.00-5.00)
 &rst iat=2258,2274, r1= 1.38, r2= 1.88, r3= 3.14, r4= 3.64,  &end
#
#  120 DA    H8    121 DT    H7    2.71  3.67  (# DNA_30+60.ual:2.71-3.67,DNA_120.ual:3.00-5.00)
 &rst iat=2242,  -1, r1= 2.21, r2= 2.71, r3= 4.26, r4= 4.76,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2277,2278,2279,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  121 DT    H1'   121 DT    H4'   2.17  3.62  (# DNA_30+60.ual:2.17-3.62)
 &rst iat=2271,2268, r1= 1.67, r2= 2.17, r3= 3.62, r4= 4.12,  &end
#
#  121 DT    H1'   121 DT    H6    3.00  5.00  (# DNA_30+60.ual:3.21-4.35,DNA_120.ual:3.00-5.00)
 &rst iat=2271,2274, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  121 DT    H2'1  121 DT    H6    1.69  2.81  (# DNA_30+60.ual:1.69-2.81,DNA_120.ual:3.00-5.00)
 &rst iat=2289,2274, r1= 1.19, r2= 1.69, r3= 2.81, r4= 3.31,  &end
#
#  121 DT    H2'2  121 DT    H3'   2.32  3.86  (# DNA_30+60.ual:2.32-3.86)
 &rst iat=2290,2287, r1= 1.82, r2= 2.32, r3= 3.86, r4= 4.36,  &end
#
#  121 DT    H2'2  121 DT    H6    2.37  3.94  (# DNA_30+60.ual:2.37-3.94,DNA_120.ual:3.00-5.00)
 &rst iat=2290,2274, r1= 1.87, r2= 2.37, r3= 3.94, r4= 4.44,  &end
#
#  121 DT    H4'   121 DT    H6    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2268,2274, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  121 DT    H6    121 DT    H7    1.96  2.65  (# DNA_30+60.ual:1.96-2.65,DNA_120.ual:3.00-5.00)
 &rst iat=2274,  -1, r1= 1.46, r2= 1.96, r3= 3.13, r4= 3.63,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2277,2278,2279,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  121 DT    H1'   122 DC    H6    3.00  5.00  (# DNA_30+60.ual:4.20-5.68,DNA_120.ual:3.00-5.00)
 &rst iat=2271,2306, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  121 DT    H2'1  122 DC    H6    2.06  3.44  (# DNA_30+60.ual:2.06-3.44,DNA_120.ual:3.00-5.00)
 &rst iat=2289,2306, r1= 1.56, r2= 2.06, r3= 3.44, r4= 3.94,  &end
#
#  121 DT    H6    122 DC    H5    2.98  4.03  (# DNA_30+60.ual:2.98-4.03,DNA_120.ual:3.00-5.00)
 &rst iat=2274,2308, r1= 2.48, r2= 2.98, r3= 4.03, r4= 4.53,  &end
#
#  122 DC    H1'   122 DC    H2'2  1.91  3.17  (# DNA_30+60.ual:1.91-3.17)
 &rst iat=2303,2320, r1= 1.41, r2= 1.91, r3= 3.17, r4= 3.67,  &end
#
#  122 DC    H1'   122 DC    H4'   2.11  3.51  (# DNA_30+60.ual:2.11-3.51)
 &rst iat=2303,2300, r1= 1.61, r2= 2.11, r3= 3.51, r4= 4.01,  &end
#
#  122 DC    H1'   122 DC    H6    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2303,2306, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  122 DC    H2'1  122 DC    H6    1.69  2.83  (# DNA_30+60.ual:1.69-2.83,DNA_120.ual:3.00-5.00)
 &rst iat=2319,2306, r1= 1.19, r2= 1.69, r3= 2.83, r4= 3.33,  &end
#
#  122 DC    H2'2  122 DC    H6    2.53  4.23  (# DNA_30+60.ual:2.53-4.23,DNA_120.ual:3.00-5.00)
 &rst iat=2320,2306, r1= 2.03, r2= 2.53, r3= 4.23, r4= 4.73,  &end
#
#  122 DC    H3'   122 DC    Q5'   2.19  3.65  (# DNA_30+60.ual:2.19-3.65)
 &rst iat=2317,  -1, r1= 1.69, r2= 2.19, r3= 4.04, r4= 4.54,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2297,2298,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  122 DC    H4'   122 DC    H6    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2300,2306, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  122 DC    H5    122 DC    H6    2.06  2.78  (# DNA_30+60.ual:2.06-2.78,DNA_120.ual:3.00-5.00)
 &rst iat=2308,2306, r1= 1.56, r2= 2.06, r3= 2.78, r4= 3.28,  &end
#
#  122 DC    H1'   123 DC    H6    3.00  5.00  (# DNA_30+60.ual:3.28-4.44,DNA_120.ual:3.00-5.00)
 &rst iat=2303,2336, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  122 DC    H2'1  123 DC    H6    2.45  4.09  (# DNA_30+60.ual:2.45-4.09,DNA_120.ual:3.00-5.00)
 &rst iat=2319,2336, r1= 1.95, r2= 2.45, r3= 4.09, r4= 4.59,  &end
#
#  122 DC    H2'2  123 DC    H6    2.02  3.38  (# DNA_30+60.ual:2.02-3.38,DNA_120.ual:3.00-5.00)
 &rst iat=2320,2336, r1= 1.52, r2= 2.02, r3= 3.38, r4= 3.88,  &end
#
#  122 DC    H3'   123 DC    H6    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2317,2336, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  123 DC    H1'   123 DC    H2'1  2.56  4.26  (# DNA_30+60.ual:2.56-4.26)
 &rst iat=2333,2349, r1= 2.06, r2= 2.56, r3= 4.26, r4= 4.76,  &end
#
#  123 DC    H1'   123 DC    H2'2  1.73  2.88  (# DNA_30+60.ual:1.73-2.88)
 &rst iat=2333,2350, r1= 1.23, r2= 1.73, r3= 2.88, r4= 3.38,  &end
#
#  123 DC    H1'   123 DC    H4'   2.12  3.52  (# DNA_30+60.ual:2.12-3.52)
 &rst iat=2333,2330, r1= 1.62, r2= 2.12, r3= 3.52, r4= 4.02,  &end
#
#  123 DC    H1'   123 DC    H6    2.97  4.01  (# DNA_30+60.ual:2.97-4.01,DNA_120.ual:3.00-5.00)
 &rst iat=2333,2336, r1= 2.47, r2= 2.97, r3= 4.01, r4= 4.51,  &end
#
#  123 DC    H2'1  123 DC    H3'   1.75  2.91  (# DNA_30+60.ual:1.75-2.91)
 &rst iat=2349,2347, r1= 1.25, r2= 1.75, r3= 2.91, r4= 3.41,  &end
#
#  123 DC    H2'1  123 DC    H6    1.84  3.08  (# DNA_30+60.ual:1.84-3.08,DNA_120.ual:3.00-5.00)
 &rst iat=2349,2336, r1= 1.34, r2= 1.84, r3= 3.08, r4= 3.58,  &end
#
#  123 DC    H2'2  123 DC    H3'   2.07  3.47  (# DNA_30+60.ual:2.07-3.47)
 &rst iat=2350,2347, r1= 1.57, r2= 2.07, r3= 3.47, r4= 3.97,  &end
#
#  123 DC    H2'2  123 DC    H6    2.37  3.95  (# DNA_30+60.ual:2.37-3.95,DNA_120.ual:3.00-5.00)
 &rst iat=2350,2336, r1= 1.87, r2= 2.37, r3= 3.95, r4= 4.45,  &end
#
#  123 DC    H3'   123 DC    H4'   2.00  3.34  (# DNA_30+60.ual:2.00-3.34)
 &rst iat=2347,2330, r1= 1.50, r2= 2.00, r3= 3.34, r4= 3.84,  &end
#
#  123 DC    H3'   123 DC    H6    2.54  4.24  (# DNA_30+60.ual:2.54-4.24,DNA_120.ual:3.00-5.00)
 &rst iat=2347,2336, r1= 2.04, r2= 2.54, r3= 4.24, r4= 4.74,  &end
#
#  123 DC    H4'   123 DC    H6    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2330,2336, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  123 DC    H5    123 DC    H6    2.00  2.70  (# DNA_30+60.ual:2.00-2.70,DNA_120.ual:3.00-5.00)
 &rst iat=2338,2336, r1= 1.50, r2= 2.00, r3= 2.70, r4= 3.20,  &end
#
#  123 DC    H1'   124 DA    H8    3.00  5.00  (# DNA_30+60.ual:4.42-5.98,DNA_120.ual:3.00-5.00)
 &rst iat=2333,2366, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  123 DC    H2'1  124 DA    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2349,2366, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  123 DC    H2'2  124 DA    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2350,2366, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  123 DC    H3'   124 DA    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2347,2366, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  124 DA    H1'   124 DA    H2    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2363,2375, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  124 DA    H1'   124 DA    H2'1  2.36  3.92  (# DNA_30+60.ual:2.36-3.92)
 &rst iat=2363,2381, r1= 1.86, r2= 2.36, r3= 3.92, r4= 4.42,  &end
#
#  124 DA    H1'   124 DA    H2'2  1.83  3.03  (# DNA_30+60.ual:1.83-3.03)
 &rst iat=2363,2382, r1= 1.33, r2= 1.83, r3= 3.03, r4= 3.53,  &end
#
#  124 DA    H1'   124 DA    H4'   2.28  3.80  (# DNA_30+60.ual:2.28-3.80)
 &rst iat=2363,2360, r1= 1.78, r2= 2.28, r3= 3.80, r4= 4.30,  &end
#
#  124 DA    H2'2  124 DA    H3'   1.84  3.08  (# DNA_30+60.ual:1.84-3.08)
 &rst iat=2382,2379, r1= 1.34, r2= 1.84, r3= 3.08, r4= 3.58,  &end
#
#  124 DA    H3'   124 DA    H4'   2.13  3.55  (# DNA_30+60.ual:2.13-3.55)
 &rst iat=2379,2360, r1= 1.63, r2= 2.13, r3= 3.55, r4= 4.05,  &end
#
#  124 DA    H3'   124 DA    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2379,2366, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  124 DA    H4'   124 DA    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2360,2366, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  124 DA    H2    125 DA3   H1'   3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2375,2395, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  125 DA3   H1'   125 DA3   H4'   1.80  3.74  (# DNA_30+60.ual:1.80-3.74)
 &rst iat=2395,2392, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  125 DA3   H1'   125 DA3   H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2395,2398, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  125 DA3   H2'2  125 DA3   H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2414,2398, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  125 DA3   H3'   125 DA3   H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2411,2398, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  125 DA3   H4'   125 DA3   H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2392,2398, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#   0 AMB   1:131   0 AMB   2:131  1.78  3.70	 (# 	1.12	  H2'2 97  H2'2 117	# 	1.12	  H6 97  H6 117)
 &rst iat=  -1,  -1, r1= 1.28, r2= 1.78, r3= 4.64, r4= 5.14,

      rk2=20.0, rk3=20.0, ir6=1,
 igr1=1528,2166,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1512,2152,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:183   0 AMB   2:183  2.68  4.48	 (# 	1.12	  H2'2 105  H2'2 107	# 	1.12	  H8 105  H8 107)
 &rst iat=  -1,  -1, r1= 2.18, r2= 2.68, r3= 5.62, r4= 6.12,
 igr1=1789,1854,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1773,1838,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:201   0 AMB   2:201  1.78  2.98	 (# 	1.20	  H6 119  H8 103  H8 104	# 	1.12	  H5 119  H3' 103)
 &rst iat=  -1,  -1, r1= 1.28, r2= 1.78, r3= 4.01, r4= 4.51,
 igr1=2212,1707,1740,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2214,1721,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:276   0 AMB   2:276  1.62  2.72	 (# 	1.12	  H1' 109  H1' 121	# 	1.12	  H2'2 109  H2'2 121)
 &rst iat=  -1,  -1, r1= 1.12, r2= 1.62, r3= 3.41, r4= 3.91,
 igr1=1897,2271,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1914,2290,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:290   0 AMB   2:290  2.38  3.22	 (# 	1.12	  H1' 104  H1' 106	# 	1.12	  H8 105  H8 107)
 &rst iat=  -1,  -1, r1= 1.88, r2= 2.38, r3= 4.04, r4= 4.54,
 igr1=1737,1802,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1773,1838,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:308   0 AMB   2:308  2.11  3.51	 (# 	1.12	  H1' 122  H1' 116	# 	1.12	  H2'1 122  H2'1 116)
 &rst iat=  -1,  -1, r1= 1.61, r2= 2.11, r3= 4.40, r4= 4.90,
 igr1=2303,2117,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2319,2135,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:355   0 AMB   2:355  2.52  4.20	 (# 	1.12	  H1' 122  H1' 116	# 	1.12	  H4' 122  H4' 116)
 &rst iat=  -1,  -1, r1= 2.02, r2= 2.52, r3= 5.27, r4= 5.77,
 igr1=2303,2117,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2300,2114,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:36    0 AMB   2:36   1.82  3.78	 (# 	1.20	  H6 96  H6 97  H6 117	# 	1.12	  H2'2 97  H2'2 117)
 &rst iat=  -1,  -1, r1= 1.32, r2= 1.82, r3= 5.08, r4= 5.58,
 igr1=1480,1512,2152,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1528,2166,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:360   0 AMB   2:360  2.07  3.45	 (# 	1.12	  H1' 120  H1' 107	# 	1.35	  H5'1 120 H5'2 120  H5'1 107 H5'2 107  H4' 120  H4' 107)
 &rst iat=  -1,  -1, r1= 1.57, r2= 2.07, r3= 5.22, r4= 5.72,
 igr1=2239,1835,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2233,2234,1829,1830,2236,1832,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:367   0 AMB   2:367  2.52  4.20	 (# 	1.12	  H8 104  H6 119	# 	1.12	  H3' 104  H3' 119)
 &rst iat=  -1,  -1, r1= 2.02, r2= 2.52, r3= 5.27, r4= 5.77,
 igr1=1740,2212,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1754,2223,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:373   0 AMB   2:373  2.26  3.76	 (# 	1.12	  H6 109  H6 115	# 	1.20	  H3' 109  H3' 108  H3' 114)
 &rst iat=  -1,  -1, r1= 1.76, r2= 2.26, r3= 5.05, r4= 5.55,
 igr1=1900,2090,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1911,1881,2071,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:379   0 AMB   2:379  2.18  3.64	 (# 	1.12	  H6 121  H6 114	# 	1.12	  H3' 121  H3' 114)
 &rst iat=  -1,  -1, r1= 1.68, r2= 2.18, r3= 4.57, r4= 5.07,
 igr1=2274,2058,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2287,2071,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:380   0 AMB   2:380  2.93  4.89	 (# 	1.12	  H6 121  H6 114	# 	1.12	  H3' 120  H3' 113)
 &rst iat=  -1,  -1, r1= 2.43, r2= 2.93, r3= 6.13, r4= 6.63,
 igr1=2274,2058,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2255,2039,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:390   0 AMB   2:390  3.00  5.00	 (# 	1.12	  H8 105  H8 107	# 	1.12	  H4' 105  H4' 107)
 &rst iat=  -1,  -1, r1= 2.50, r2= 3.00, r3= 6.27, r4= 6.77,
 igr1=1773,1838,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1767,1832,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:400   0 AMB   2:400  3.00  5.00	 (# 	1.12	  H8 99  H6 122	# 	1.20	  H5'1 99 H5'2 99  H4' 121)
 &rst iat=  -1,  -1, r1= 2.50, r2= 3.00, r3= 6.72, r4= 7.22,
 igr1=1577,2306,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1568,1569,2268,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:405   0 AMB   2:405  3.00  5.00	 (# 	1.12	  H8 103  H6 119	# 	1.12	  H4' 102  H4' 118)
 &rst iat=  -1,  -1, r1= 2.50, r2= 3.00, r3= 6.27, r4= 6.77,
 igr1=1707,2212,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1668,2176,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:406   0 AMB   2:406  2.45  5.07	 (# 	1.12	  H6 97  H6 117	# 	1.12	  H4' 97  H4' 116)
 &rst iat=  -1,  -1, r1= 1.95, r2= 2.45, r3= 6.36, r4= 6.86,
 igr1=1512,2152,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1506,2114,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:407   0 AMB   2:407  3.00  5.00	 (# 	1.12	  H6 97  H6 117	# 	1.20	  H5'1 97 H5'2 97  H4' 117)
 &rst iat=  -1,  -1, r1= 2.50, r2= 3.00, r3= 6.72, r4= 7.22,
 igr1=1512,2152,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1503,1504,2146,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:411   0 AMB   2:411  2.44  4.08	 (# 	1.20	  H6 109  H6 115  H6 116	# 	1.31	  H4' 108  H5'1 115 H5'2 115  H5'1 116 H5'2 116)
 &rst iat=  -1,  -1, r1= 1.94, r2= 2.44, r3= 6.41, r4= 6.91,
 igr1=1900,2090,2120,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1864,2081,2082,2111,2112,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:58    0 AMB   2:58   1.84  3.08	 (# 	1.12	  H8 99  H6 122	# 	1.12	  H2'1 99  H2'2 121)
 &rst iat=  -1,  -1, r1= 1.34, r2= 1.84, r3= 3.86, r4= 4.36,
 igr1=1577,2306,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1593,2290,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:71    0 AMB   2:71   2.43  5.05	 (# 	1.12	  H8 110  H8 102	# 	1.12	  H2'1 109  H2'1 101)
 &rst iat=  -1,  -1, r1= 1.93, r2= 2.43, r3= 6.33, r4= 6.83,
 igr1=1930,1674,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1913,1657,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:81    0 AMB   2:81   1.81  3.77	 (# 	1.12	  H8 124  H8 125	# 	1.12	  H2'1 124  H2'1 125)
 &rst iat=  -1,  -1, r1= 1.31, r2= 1.81, r3= 4.73, r4= 5.23,
 igr1=2366,2398,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2381,2413,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:85    0 AMB   2:85   2.17  3.62	 (# 	1.12	  H8 107  H8 112	# 	1.12	  H2'2 107  H2'2 112)
 &rst iat=  -1,  -1, r1= 1.67, r2= 2.17, r3= 4.54, r4= 5.04,
 igr1=1838,1992,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1854,2009,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:88    0 AMB   2:88   1.71  3.53	 (# 	1.12	  H8 105  H8 112	# 	1.12	  H2'1 105  H2'2 111)
 &rst iat=  -1,  -1, r1= 1.21, r2= 1.71, r3= 4.43, r4= 4.93,
 igr1=1773,1992,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1788,1976,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:209  96 DT5   H1'    2.41  4.01	 (# 	1.12	  H6 96  H6 97)
 &rst iat=  -1,1477, r1= 1.91, r2= 2.41, r3= 4.49, r4= 4.99,
 igr1=1480,1512,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:368  96 DT5   H3'    1.94  4.04	 (# 	1.12	  H6 96  H6 97)
 &rst iat=  -1,1493, r1= 1.44, r2= 1.94, r3= 4.52, r4= 5.02,
 igr1=1480,1512,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:41   96 DT5   H2'1   1.49  3.09	 (# 	1.12	  H6 96  H6 97)
 &rst iat=  -1,1495, r1= 0.99, r2= 1.49, r3= 3.46, r4= 3.96,
 igr1=1480,1512,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:42   96 DT5   H2'2   1.88  3.91	 (# 	1.12	  H6 96  H6 97)
 &rst iat=  -1,1496, r1= 1.38, r2= 1.88, r3= 4.38, r4= 4.88,
 igr1=1480,1512,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   2:275  96 DT5   H1'    2.88  4.80	 (# 	1.12	  H6 96  H6 97)
 &rst iat=  -1,1477, r1= 2.38, r2= 2.88, r3= 5.38, r4= 5.88,
 igr1=1480,1512,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:38   97 DT    H7     1.72  2.86	 (# 	1.12	  H6 97  H6 96)
 &rst iat=  -1,  -1, r1= 1.22, r2= 1.72, r3= 3.77, r4= 4.27,
 igr1=1512,1480,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1515,1516,1517,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:151  99 DG    H8     2.26  3.76	 (# 	1.12	  H2'2 99  H2'2 98)
 &rst iat=  -1,1577, r1= 1.76, r2= 2.26, r3= 4.21, r4= 4.71,
 igr1=1561,1594,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   2:60   99 DG    H8     2.01  3.35	 (# 	1.12	  H2'2 99  H2'2 98)
 &rst iat=  -1,1577, r1= 1.51, r2= 2.01, r3= 3.75, r4= 4.25,
 igr1=1594,1561,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:171 100 DA    H8     1.96  3.26	 (# 	1.12	  H2'2 99  H2'2 100)
 &rst iat=  -1,1610, r1= 1.46, r2= 1.96, r3= 3.65, r4= 4.15,
 igr1=1594,1626,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:172 100 DA    H8     1.98  3.28	 (# 	1.12	  H2'1 99  H2'1 100)
 &rst iat=  -1,1610, r1= 1.48, r2= 1.98, r3= 3.67, r4= 4.17,
 igr1=1593,1625,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   2:75  100 DA    H8     1.83  3.05	 (# 	1.12	  H2'1 100  H2'1 99)
 &rst iat=  -1,1610, r1= 1.33, r2= 1.83, r3= 3.42, r4= 3.92,
 igr1=1625,1593,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   2:418 101 DT    H6     3.00  5.00	 (# 	1.20	  H4' 100  H5'1 101 H5'2 101)
 &rst iat=  -1,1642, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50,
 igr1=1604,1633,1634,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   2:356 102 DG    H8     3.00  5.00	 (# 	1.12	  H3' 101  H3' 102)
 &rst iat=  -1,1674, r1= 2.50, r2= 3.00, r3= 5.60, r4= 6.10,
 igr1=1655,1688,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:221 103 DG    H1'    2.88  3.90	 (# 	1.12	  H8 103  H8 104)
 &rst iat=  -1,1704, r1= 2.38, r2= 2.88, r3= 4.37, r4= 4.87,
 igr1=1707,1740,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:404 103 DG    H4'    3.00  5.00	 (# 	1.12	  H8 103  H8 104)
 &rst iat=  -1,1701, r1= 2.50, r2= 3.00, r3= 5.60, r4= 6.10,
 igr1=1707,1740,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:49  103 DG    H2'1   1.69  2.81	 (# 	1.12	  H8 103  H8 104)
 &rst iat=  -1,1723, r1= 1.19, r2= 1.69, r3= 3.15, r4= 3.65,
 igr1=1707,1740,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:50  103 DG    H2'2   1.81  3.01	 (# 	1.12	  H8 103  H8 104)
 &rst iat=  -1,1724, r1= 1.31, r2= 1.81, r3= 3.37, r4= 3.87,
 igr1=1707,1740,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   2:140 103 DG    H2'1   1.73  2.89	 (# 	1.12	  H8 103  H8 104)
 &rst iat=  -1,1723, r1= 1.23, r2= 1.73, r3= 3.24, r4= 3.74,
 igr1=1707,1740,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   2:288 103 DG    H1'    3.00  5.00	 (# 	1.12	  H8 103  H8 104)
 &rst iat=  -1,1704, r1= 2.50, r2= 3.00, r3= 5.60, r4= 6.10,
 igr1=1707,1740,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:121 109 DC    H6     1.67  2.77	 (# 	1.12	  H2'1 108  H2'1 109)
 &rst iat=  -1,1900, r1= 1.17, r2= 1.67, r3= 3.10, r4= 3.60,
 igr1=1883,1913,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   2:29  109 DC    H6     1.60  2.66	 (# 	1.12	  H2'1 109  H2'1 108)
 &rst iat=  -1,1900, r1= 1.10, r2= 1.60, r3= 2.98, r4= 3.48,
 igr1=1913,1883,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:169 110 DG3   H8     2.16  4.50	 (# 	1.12	  H2'1 110  H2'2 109)
 &rst iat=  -1,1930, r1= 1.66, r2= 2.16, r3= 5.04, r4= 5.54,
 igr1=1946,1914,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:73  110 DG3   H2'1   2.02  4.20	 (# 	1.12	  H8 110  H8 102)
 &rst iat=  -1,1946, r1= 1.52, r2= 2.02, r3= 4.70, r4= 5.20,
 igr1=1930,1674,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:182 112 DG    H8     2.64  4.40	 (# 	1.12	  H2'1 112  H2'2 112)
 &rst iat=  -1,1992, r1= 2.14, r2= 2.64, r3= 4.93, r4= 5.43,
 igr1=2008,2009,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   2:287 112 DG    H1'    1.96  3.26	 (# 	1.12	  H2'1 112  H2'2 112)
 &rst iat=  -1,1989, r1= 1.46, r2= 1.96, r3= 3.65, r4= 4.15,
 igr1=2008,2009,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:165 113 DG    H8     2.17  3.62	 (# 	1.12	  H2'1 112  H2'2 113)
 &rst iat=  -1,2025, r1= 1.67, r2= 2.17, r3= 4.05, r4= 4.55,
 igr1=2008,2042,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   2:68  113 DG    H8     1.78  2.98	 (# 	1.12	  H2'1 112  H2'2 112)
 &rst iat=  -1,2025, r1= 1.28, r2= 1.78, r3= 3.34, r4= 3.84,
 igr1=2008,2009,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:306 114 DT    H6     3.00  5.00	 (# 	1.12	  H1' 113  H1' 114)
 &rst iat=  -1,2058, r1= 2.50, r2= 3.00, r3= 5.60, r4= 6.10,
 igr1=2022,2055,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   2:239 114 DT    H6     2.61  3.53	 (# 	1.12	  H1' 113  H1' 114)
 &rst iat=  -1,2058, r1= 2.11, r2= 2.61, r3= 3.95, r4= 4.45,
 igr1=2022,2055,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:124 115 DC    H6     1.78  2.98	 (# 	1.12	  H2'1 114  H2'1 115)
 &rst iat=  -1,2090, r1= 1.28, r2= 1.78, r3= 3.34, r4= 3.84,
 igr1=2073,2103,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   2:32  115 DC    H6     1.85  3.09	 (# 	1.12	  H2'1 115  H2'1 114)
 &rst iat=  -1,2090, r1= 1.35, r2= 1.85, r3= 3.46, r4= 3.96,
 igr1=2103,2073,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   2:410 115 DC    H6     3.00  5.00	 (# 	1.12	  H4' 115  H4' 114)
 &rst iat=  -1,2090, r1= 2.50, r2= 3.00, r3= 5.60, r4= 6.10,
 igr1=2084,2052,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:147 118 DC    H6     1.78  2.98	 (# 	1.12	  H2'1 118  H2'1 117)
 &rst iat=  -1,2182, r1= 1.28, r2= 1.78, r3= 3.34, r4= 3.84,
 igr1=2195,2165,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:246 118 DC    H1'    2.83  3.83	 (# 	1.12	  H6 118  H6 119)
 &rst iat=  -1,2179, r1= 2.33, r2= 2.83, r3= 4.29, r4= 4.79,
 igr1=2182,2212,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   2:364 118 DC    H6     2.20  3.66	 (# 	1.12	  H3' 118  H3' 117)
 &rst iat=  -1,2182, r1= 1.70, r2= 2.20, r3= 4.10, r4= 4.60,
 igr1=2193,2163,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:139 119 DC    H6     2.06  3.42	 (# 	1.12	  H2'2 118  H2'2 119)
 &rst iat=  -1,2212, r1= 1.56, r2= 2.06, r3= 3.83, r4= 4.33,
 igr1=2196,2226,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   2:44  119 DC    H6     1.87  3.11	 (# 	1.12	  H2'2 119  H2'2 118)
 &rst iat=  -1,2212, r1= 1.37, r2= 1.87, r3= 3.48, r4= 3.98,
 igr1=2226,2196,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   2:388 120 DA    H8     3.00  5.00	 (# 	1.20	  H5'1 120 H5'2 120  H4' 119)
 &rst iat=  -1,2242, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50,
 igr1=2233,2234,2206,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   2:362 122 DC    H6     2.76  4.60	 (# 	1.12	  H3' 121  H3' 122)
 &rst iat=  -1,2306, r1= 2.26, r2= 2.76, r3= 5.15, r4= 5.65,
 igr1=2287,2317,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:258 124 DA    H1'    3.00  5.00	 (# 	1.12	  H8 124  H8 125)
 &rst iat=  -1,2363, r1= 2.50, r2= 3.00, r3= 5.60, r4= 6.10,
 igr1=2366,2398,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:80  124 DA    H2'2   2.25  4.67	 (# 	1.12	  H8 124  H8 125)
 &rst iat=  -1,2382, r1= 1.75, r2= 2.25, r3= 5.23, r4= 5.73,
 igr1=2366,2398,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   2:178 124 DA    H2'2   2.63  5.47	 (# 	1.12	  H8 124  H8 125)
 &rst iat=  -1,2382, r1= 2.13, r2= 2.63, r3= 6.13, r4= 6.63,
 igr1=2366,2398,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   2:326 124 DA    H1'    3.00  5.00	 (# 	1.12	  H8 124  H8 125)
 &rst iat=  -1,2363, r1= 2.50, r2= 3.00, r3= 5.60, r4= 6.10,
 igr1=2366,2398,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:79  125 DA3   H2'2   3.00  5.00	 (# 	1.12	  H8 124  H8 125)
 &rst iat=  -1,2414, r1= 2.50, r2= 3.00, r3= 5.60, r4= 6.10,
 igr1=2366,2398,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB 1:5    23 ALA MB               6.00	 (# 5 -16.2295 was 5 mf)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,

      rk2=20.0, rk3=20.0, ir6=1,
 igr1=1707,1740,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 364, 365, 366,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB 1:63    0 AMB 2:63             5.00	 (# 63 27.8689)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1=2176,1668,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1268,1269, 430, 431,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB 1:125  17 LYS HD2              5.00	 (# 125 45.9016)
 &rst iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=2008,2009,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB 1:126  17 LYS HD3              5.00	 (# 126 29.5082)
 &rst iat=  -1, 253, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=2008,2009,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB 1:56    0 AMB 2:56             5.00	 (# 56 7.04918)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1=2274,2058,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1290,1291, 255, 256,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB 1:196  73 LEU MDY              5.00	 (# 196 2.45902)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.88, r4= 8.38,
 igr1=1535,1536,1568,1569,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1108,1109,1110,1112,1113,1114,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB 1:23   79 ALA MB               6.00	 (# 23 -13.6066 was 5 mf pew)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.50, r4= 9.00,
 igr1=2173,2174,2203,2204,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1216,1217,1218,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB 1:4	79 ALA MB		4.5	 (# 4 348 mf)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1=2182,2212,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1216,1217,1218,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB 1:219  79 ALA HA		6.0	 (# 219 5.2 mf)
 &rst iat=  -1,1214, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
 igr1=2182,2212,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB	1:7	79 ALA MB		4.0	 (# 7 96.3 mf)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1=2196,2226,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1216,1217,1218,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB 1:130   0 AMB 2:130            3.00	 (# 130 337.475)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,

      rk2=20.0, rk3=20.0, ir6=1,
 igr1= 824, 825,1262,1263,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 807,1214,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  53 ARG HD+     0 AMB 2:164            4.00	 (# 164 129.838)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 827, 828,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 878, 879, 880, 882, 883, 884,1645,1646,1647,   0,   0,   0,   &end
#
#  19 TRP HB+     0 AMB 2:330            5.00	 (# 330 56.3108)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr1= 282, 283,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 297, 538, 542,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  76 THR MG2     0 AMB 2:289            3.00	 (# 289 314.049)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1=1168,1169,1170,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1182,1183,1184, 962, 963,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  19 TRP HA      0 AMB 2:311            5.00	 (# 311 43.074)
 &rst iat= 280,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 297, 538, 542,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  53 ARG HG-     0 AMB 2:150            5.00	 (# 150 98.6976)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.88, r4= 8.38,
 igr1= 824, 825,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1182,1183,1184, 878, 879, 880, 882, 883, 884,   0,   0,   0,   &end
#
#   0 AMB 1:319   0 AMB 2:319            3.00	 (# 319 749.838)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr1= 280, 372,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 282, 283, 375,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  76 THR HB      0 AMB 2:277            4.00	 (# 277 286.319)
 &rst iat=1166,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1182,1183,1184, 878, 879, 880, 882, 883, 884, 962, 963,   0,   &end
#
#  76 THR HA      0 AMB 2:274            4.00	 (# 274 144.456)
 &rst iat=1164,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1182,1183,1184, 878, 879, 880, 882, 883, 884, 962, 963,   0,   &end
#
#  19 TRP HB-     0 AMB 2:331            5.00	 (# 331 24.348)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr1= 282, 283,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 297, 538, 542,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB 1:253   0 AMB 2:253            3.00	 (# 253 610.754)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 345,1352, 389,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,1435,1436,   0,   0,   0,   0,   &end
#
#  53 ARG HD-     0 AMB 2:165            5.00	 (# 165 83.9818)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.88, r4= 8.38,
 igr1= 827, 828,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 878, 879, 880, 882, 883, 884,1645,1646,1647,   0,   0,   0,   &end
#
#  65 THR MG2     0 AMB 2:221            3.00	 (# 221 406.845)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr1=1017,1018,1019,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1013,1089,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB 1:310   0 AMB 2:310            3.00	 (# 310 665.783)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1= 669, 670,1290,1291,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 574, 633,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB 1:317   0 AMB 2:317            3.00	 (# 317 344.348)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr1= 280, 372,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 724, 374,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB 1:138   0 AMB 2:138            4.00	 (# 138 170.668)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 824, 825, 663, 664,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 845, 846, 567,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  19 TRP HA      0 AMB 2:316            5.00	 (# 316 92.1989)
 &rst iat= 280,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 515, 516, 723,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB 1:137   0 AMB 2:137            5.00	 (# 137 24.1652)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1= 249, 250,1262,1263,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 232, 233,1320,1321,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  17 LYS H       0 AMB 2:97             5.00	 (# 97 131.219)
 &rst iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,

      rk2=20.0, rk3=20.0, ir6=1,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 255, 256,2008,2009,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  51 LEU H       0 AMB 2:671            4.00	 (# 671 654.331)
 &rst iat= 784,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 766, 817, 730,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
# 2416 atoms read from pdb file hip.complex.pdb.
# 4 TYR PHI:  (3 ARG C) - (4 TYR N) - (4 TYR CA) - (4 TYR C) -160.0 -80.0
 &rst     iat =    64,    66,    68,    85,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,
	  rk2 =  32.0, rk3 =  32.0,				&end

# 5 ILE PHI:  (4 TYR C) - (5 ILE N) - (5 ILE CA) - (5 ILE C) -160.0 -80.0
 &rst     iat =    85,    87,    89,   104,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 6 CYS PHI:  (5 ILE C) - (6 CYM N) - (6 CYM CA) - (6 CYM C) -90.0 -40.0
 &rst     iat =   104,   106,   108,   114,
	  r1 = -100.0, r2 = -90.0, r3 = -40.0, r4 = -30.0,	&end

# 7 SER PHI:  (6 CYM C) - (7 SER N) - (7 SER CA) - (7 SER C) -90.0 -40.0
 &rst     iat =   114,   116,   118,   125,
	  r1 = -100.0, r2 = -90.0, r3 = -40.0, r4 = -30.0,	&end

# 13 ALA PHI:  (12 GLY C) - (13 ALA N) - (13 ALA CA) - (13 ALA C) -90.0 -40.0
 &rst     iat =   184,   186,   188,   194,
	  r1 = -100.0, r2 = -90.0, r3 = -40.0, r4 = -30.0,	&end

# 14 ALA PHI:  (13 ALA C) - (14 ALA N) - (14 ALA CA) - (14 ALA C) -160.0 -80.0
 &rst     iat =   194,   196,   198,   204,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 15 TYR PHI:  (14 ALA C) - (15 TYR N) - (15 TYR CA) - (15 TYR C) -160.0 -80.0
 &rst     iat =   204,   206,   208,   225,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 17 LYS PHI:  (16 ASN C) - (17 LYS N) - (17 LYS CA) - (17 LYS C) -160.0 -80.0
 &rst     iat =   239,   241,   243,   261,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 21 LEU PHI:  (20 LYS C) - (21 LEU N) - (21 LEU CA) - (21 LEU C) -90.0 -40.0
 &rst     iat =   321,   323,   325,   340,
	  r1 = -100.0, r2 = -90.0, r3 = -40.0, r4 = -30.0,	&end

# 24 HIS PHI:  (23 ALA C) - (24 HIS N) - (24 HIS CA) - (24 HIS C) -90.0 -40.0
 &rst     iat =   367,   369,   371,   384,
	  r1 = -100.0, r2 = -90.0, r3 = -40.0, r4 = -30.0,	&end

# 25 LEU PHI:  (24 HIS C) - (25 LEU N) - (25 LEU CA) - (25 LEU C) -90.0 -40.0
 &rst     iat =   384,   386,   388,   403,
	  r1 = -100.0, r2 = -90.0, r3 = -40.0, r4 = -30.0,	&end

# 26 SER PHI:  (25 LEU C) - (26 SER N) - (26 SER CA) - (26 SER C) -90.0 -40.0
 &rst     iat =   403,   405,   407,   414,
	  r1 = -100.0, r2 = -90.0, r3 = -40.0, r4 = -30.0,	&end

# 28 HIS PHI:  (27 LYS C) - (28 HIS N) - (28 HIS CA) - (28 HIS C) -90.0 -40.0
 &rst     iat =   436,   438,   440,   453,
	  r1 = -100.0, r2 = -90.0, r3 = -40.0, r4 = -30.0,	&end

# 31 GLU PHI:  (30 GLY C) - (31 GLU N) - (31 GLU CA) - (31 GLU C) -160.0 -80.0
 &rst     iat =   474,   476,   478,   489,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 32 LYS PHI:  (31 GLU C) - (32 LYS N) - (32 LYS CA) - (32 LYS C) -160.0 -80.0
 &rst     iat =   489,   491,   493,   511,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 34 PHE PHI:  (33 PRO C) - (34 PHE N) - (34 PHE CA) - (34 PHE C) -160.0 -80.0
 &rst     iat =   525,   527,   529,   545,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 36 CYS PHI:  (35 PRO C) - (36 CYM N) - (36 CYM CA) - (36 CYM C) -90.0 -40.0
 &rst     iat =   559,   561,   563,   569,
	  r1 = -100.0, r2 = -90.0, r3 = -40.0, r4 = -30.0,	&end

# 38 GLU PHI:  (37 LYS C) - (38 GLU N) - (38 GLU CA) - (38 GLU C) -90.0 -40.0
 &rst     iat =   591,   593,   595,   606,
	  r1 = -100.0, r2 = -90.0, r3 = -40.0, r4 = -30.0,	&end

# 39 GLU PHI:  (38 GLU C) - (39 GLU N) - (39 GLU CA) - (39 GLU C) -90.0 -40.0
 &rst     iat =   606,   608,   610,   621,
	  r1 = -100.0, r2 = -90.0, r3 = -40.0, r4 = -30.0,	&end

# 41 CYS PHI:  (40 GLY C) - (41 CYM N) - (41 CYM CA) - (41 CYM C) -160.0 -80.0
 &rst     iat =   628,   630,   632,   638,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 42 GLU PHI:  (41 CYM C) - (42 GLU N) - (42 GLU CA) - (42 GLU C) -160.0 -80.0
 &rst     iat =   638,   640,   642,   653,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 45 PHE PHI:  (44 GLY C) - (45 PHE N) - (45 PHE CA) - (45 PHE C) -160.0 -80.0
 &rst     iat =   682,   684,   686,   702,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 45 PHE PHI:  (44 GLY C) - (45 PHE N) - (45 PHE CA) - (45 PHE C) -160.0 -80.0
 &rst     iat =   682,   684,   686,   702,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 48 LEU PHI:  (47 SER C) - (48 LEU N) - (48 LEU CA) - (48 LEU C) -90.0 -40.0
 &rst     iat =   727,   729,   731,   746,
	  r1 = -100.0, r2 = -90.0, r3 = -40.0, r4 = -30.0,	&end

# 51 LEU PHI:  (50 HIP C) - (51 LEU N) - (51 LEU CA) - (51 LEU C) -90.0 -40.0
 &rst     iat =   781,   783,   785,   800,
	  r1 = -100.0, r2 = -90.0, r3 = -40.0, r4 = -30.0,	&end

# 52 THR PHI:  (51 LEU C) - (52 THR N) - (52 THR CA) - (52 THR C) -90.0 -40.0
 &rst     iat =   800,   802,   804,   814,
	  r1 = -100.0, r2 = -90.0, r3 = -40.0, r4 = -30.0,	&end

# 53 ARG PHI:  (52 THR C) - (53 ARG N) - (53 ARG CA) - (53 ARG C) -90.0 -40.0
 &rst     iat =   814,   816,   818,   838,
	  r1 = -100.0, r2 = -90.0, r3 = -40.0, r4 = -30.0,	&end

# 55 LEU PHI:  (54 HIS C) - (55 SER N) - (55 SER CA) - (55 SER C) -90.0 -40.0
 &rst     iat =   855,   857,   859,   866,
	  r1 = -100.0, r2 = -90.0, r3 = -40.0, r4 = -30.0,	&end

# 56 SER PHI:  (55 SER C) - (56 LEU N) - (56 LEU CA) - (56 LEU C) -90.0 -40.0
 &rst     iat =   866,   868,   870,   885,
	  r1 = -100.0, r2 = -90.0, r3 = -40.0, r4 = -30.0,	&end

# 58 HIS PHI:  (57 THR C) - (58 HIS N) - (58 HIS CA) - (58 HIS C) -160.0 -80.0
 &rst     iat =   899,   901,   903,   916,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 61 GLU PHI:  (60 GLY C) - (61 GLU N) - (61 GLU CA) - (61 GLU C) -90.0 -40.0
 &rst     iat =   937,   939,   941,   952,
	  r1 = -100.0, r2 = -90.0, r3 = -40.0, r4 = -30.0,	&end

# 62 LYS PHI:  (61 GLU C) - (62 LYS N) - (62 LYS CA) - (62 LYS C) -160.0 -80.0
 &rst     iat =   952,   954,   956,   974,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 63 ASN PHI:  (62 LYS C) - (63 ASN N) - (63 ASN CA) - (63 ASN C) -160.0 -80.0
 &rst     iat =   974,   976,   978,   988,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 64 PHE PHI:  (63 ASN C) - (64 PHE N) - (64 PHE CA) - (64 PHE C) -160.0 -80.0
 &rst     iat =   988,   990,   992,  1008,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 65 THR PHI:  (64 PHE C) - (65 THR N) - (65 THR CA) - (65 THR C) -160.0 -80.0
 &rst     iat =  1008,  1010,  1012,  1022,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 67 ASP PHI:  (66 CYM C) - (67 ASP N) - (67 ASP CA) - (67 ASP C) -90.0 -40.0
 &rst     iat =  1032,  1034,  1036,  1044,
	  r1 = -100.0, r2 = -90.0, r3 = -40.0, r4 = -30.0,	&end

# 69 ASP PHI:  (68 SER C) - (69 ASP N) - (69 ASP CA) - (69 ASP C) -90.0 -40.0
 &rst     iat =  1055,  1057,  1059,  1067,
	  r1 = -100.0, r2 = -90.0, r3 = -40.0, r4 = -30.0,	&end

# 71 CYS PHI:  (70 GLY C) - (71 CYM N) - (71 CYM CA) - (71 CYM C) -160.0 -80.0
 &rst     iat =  1074,  1076,  1078,  1084,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 72 ASP PHI:  (71 CYM C) - (72 ASP N) - (72 ASP CA) - (72 ASP C) -90.0 -40.0
 &rst     iat =  1084,  1086,  1088,  1096,
	  r1 = -100.0, r2 = -90.0, r3 = -40.0, r4 = -30.0,	&end

# 73 LEU PHI:  (72 ASP C) - (73 LEU N) - (73 LEU CA) - (73 LEU C) -90.0 -40.0
 &rst     iat =  1096,  1098,  1100,  1115,
	  r1 = -100.0, r2 = -90.0, r3 = -40.0, r4 = -30.0,	&end

# 74 ARG PHI:  (73 LEU C) - (74 ARG N) - (74 ARG CA) - (74 ARG C) -160.0 -80.0
 &rst     iat =  1115,  1117,  1119,  1139,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 75 PHE PHI:  (74 ARG C) - (75 PHE N) - (75 PHE CA) - (75 PHE C) -160.0 -80.0
 &rst     iat =  1139,  1141,  1143,  1159,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 76 THR PHI:  (75 PHE C) - (76 THR N) - (76 THR CA) - (76 THR C) -90.0 -40.0
 &rst     iat =  1159,  1161,  1163,  1173,
	  r1 = -100.0, r2 = -90.0, r3 = -40.0, r4 = -30.0,	&end

# 77 THR PHI:  (76 THR C) - (77 THR N) - (77 THR CA) - (77 THR C) -160.0 -80.0
 &rst     iat =  1173,  1175,  1177,  1187,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 78 LYS PHI:  (77 THR C) - (78 LYS N) - (78 LYS CA) - (78 LYS C) -90.0 -40.0
 &rst     iat =  1187,  1189,  1191,  1209,
	  r1 = -100.0, r2 = -90.0, r3 = -40.0, r4 = -30.0,	&end

# 79 ALA PHI:  (78 LYS C) - (79 ALA N) - (79 ALA CA) - (79 ALA C) -90.0 -40.0
 &rst     iat =  1209,  1211,  1213,  1219,
	  r1 = -100.0, r2 = -90.0, r3 = -40.0, r4 = -30.0,	&end

# 81 MET PHI:  (80 ASN C) - (81 MET N) - (81 MET CA) - (81 MET C) -90.0 -40.0
 &rst     iat =  1233,  1235,  1237,  1252,
	  r1 = -100.0, r2 = -90.0, r3 = -40.0, r4 = -30.0,	&end

# 82 LYS PHI:  (81 MET C) - (82 LYS N) - (82 LYS CA) - (82 LYS C) -90.0 -40.0
 &rst     iat =  1252,  1254,  1256,  1274,
	  r1 = -100.0, r2 = -90.0, r3 = -40.0, r4 = -30.0,	&end

# 83 LYS PHI:  (82 LYS C) - (83 LYS N) - (83 LYS CA) - (83 LYS C) -90.0 -40.0
 &rst     iat =  1274,  1276,  1278,  1296,
	  r1 = -100.0, r2 = -90.0, r3 = -40.0, r4 = -30.0,	&end

# 84 HIS PHI:  (83 LYS C) - (84 HIS N) - (84 HIS CA) - (84 HIS C) -90.0 -40.0
 &rst     iat =  1296,  1298,  1300,  1313,
	  r1 = -100.0, r2 = -90.0, r3 = -40.0, r4 = -30.0,	&end

# 86 ASN PHI:  (85 PHE C) - (86 ASN N) - (86 ASN CA) - (86 ASN C) -90.0 -40.0
 &rst     iat =  1333,  1335,  1337,  1347,
	  r1 = -100.0, r2 = -90.0, r3 = -40.0, r4 = -30.0,	&end

# 88 PHE PHI:  (87 ARG C) - (88 PHE N) - (88 PHE CA) - (88 PHE C) -160.0 -80.0
 &rst     iat =  1371,  1373,  1375,  1391,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 89 HIS PHI:  (88 PHE C) - (89 HIS N) - (89 HIS CA) - (89 HIS C) -160.0 -80.0
 &rst     iat =  1391,  1393,  1395,  1408,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 90 ASN PHI:  (89 HIS C) - (90 ASN N) - (90 ASN CA) - (90 ASN C) -160.0 -80.0
 &rst     iat =  1408,  1410,  1412,  1422,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 91 ILE PHI:  (90 ASN C) - (91 ILE N) - (91 ILE CA) - (91 ILE C) -160.0 -80.0
 &rst     iat =  1422,  1424,  1426,  1441,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 2416 atoms read from pdb file hip.complex.pdb.
# 3 ARG CHI1:  (3 ARG N) - (3 ARG CA) - (3 ARG CB) - (3 ARG CG) -90.0 -30.0
 &rst     iat =    42,    44,    46,    49,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 4 TYR CHI1:  (4 TYR N) - (4 TYR CA) - (4 TYR CB) - (4 TYR CG) -90.0 -30.0
 &rst     iat =    66,    68,    70,    73,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,
	  rk2 =  32.0, rk3 =  32.0,				&end

# 6 CYS CHI1:  (6 CYM N) - (6 CYM CA) - (6 CYM CB) - (6 CYM SG) 150.0 210.0
 &rst     iat =   106,   108,   110,   113,
	  r1 = 140.0, r2 = 150.0, r3 = 210.0, r4 = 220.0,	&end

# 8 PHE CHI1:  (8 PHE N) - (8 PHE CA) - (8 PHE CB) - (8 PHE CG) -90.0 -30.0
 &rst     iat =   127,   129,   131,   134,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 10 ASP CHI1:  (10 ASP N) - (10 ASP CA) - (10 ASP CB) - (10 ASP CG) -90.0 -30.0
 &rst     iat =   157,   159,   161,   164,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 11 CYS CHI1:  (11 CYM N) - (11 CYM CA) - (11 CYM CB) - (11 CYM SG) 150.0 210.0
 &rst     iat =   169,   171,   173,   176,
	  r1 = 140.0, r2 = 150.0, r3 = 210.0, r4 = 220.0,	&end

# 15 TYR CHI1:  (15 TYR N) - (15 TYR CA) - (15 TYR CB) - (15 TYR CG) -90.0 -30.0
 &rst     iat =   206,   208,   210,   213,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 17 LYS CHI1:  (17 LYS N) - (17 LYS CA) - (17 LYS CB) - (17 LYS CG) -90.0 -30.0
 &rst     iat =   241,   243,   245,   248,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 18 ASN CHI1:  (18 ASN N) - (18 ASN CA) - (18 ASN CB) - (18 ASN CG) 150.0 210.0
 &rst     iat =   263,   265,   267,   270,
	  r1 = 140.0, r2 = 150.0, r3 = 210.0, r4 = 220.0,	&end

# 21 LEU CHI1:  (21 LEU N) - (21 LEU CA) - (21 LEU CB) - (21 LEU CG) 150.0 210.0
 &rst     iat =   323,   325,   327,   330,
	  r1 = 140.0, r2 = 150.0, r3 = 210.0, r4 = 220.0,	&end

# 22 GLN CHI1:  (22 GLN N) - (22 GLN CA) - (22 GLN CB) - (22 GLN CG) -90.0 -30.0
 &rst     iat =   342,   344,   346,   349,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 24 HIS CHI1:  (24 HIS N) - (24 HIS CA) - (24 HIS CB) - (24 HIS CG) 150.0 210.0
 &rst     iat =   369,   371,   373,   376,
	  r1 = 140.0, r2 = 150.0, r3 = 210.0, r4 = 220.0,	&end

# 25 LEU CHI1:  (25 LEU N) - (25 LEU CA) - (25 LEU CB) - (25 LEU CG) -90.0 -30.0
 &rst     iat =   386,   388,   390,   393,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 26 SER CHI1:  (26 SER N) - (26 SER CA) - (26 SER CB) - (26 SER OG)  30.0  90.0
 &rst     iat =   405,   407,   409,   412,
	  r1 =  20.0, r2 =  30.0, r3 =  90.0, r4 = 100.0,	&end

# 27 LYS CHI1:  (27 LYS N) - (27 LYS CA) - (27 LYS CB) - (27 LYS CG) -90.0 -30.0
 &rst     iat =   416,   418,   420,   423,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 28 HIS CHI1:  (28 HIS N) - (28 HIS CA) - (28 HIS CB) - (28 HIS CG) -90.0 -30.0
 &rst     iat =   438,   440,   442,   445,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 29 THR CHI1:  (29 THR N) - (29 THR CA) - (29 THR CB) - (29 THR OG1)  30.0  90.0
 &rst     iat =   455,   457,   459,   465,
	  r1 =  20.0, r2 =  30.0, r3 =  90.0, r4 = 100.0,	&end

# 31 GLU CHI1:  (31 GLU N) - (31 GLU CA) - (31 GLU CB) - (31 GLU CG) -90.0 -30.0
 &rst     iat =   476,   478,   480,   483,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 32 LYS CHI1:  (32 LYS N) - (32 LYS CA) - (32 LYS CB) - (32 LYS CG) -90.0 -30.0
 &rst     iat =   491,   493,   495,   498,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 34 PHE CHI1:  (34 PHE N) - (34 PHE CA) - (34 PHE CB) - (34 PHE CG) -90.0 -30.0
 &rst     iat =   527,   529,   531,   534,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 36 CYS CHI1:  (36 CYM N) - (36 CYM CA) - (36 CYM CB) - (36 CYM SG) 150.0 210.0
 &rst     iat =   561,   563,   565,   568,
	  r1 = 140.0, r2 = 150.0, r3 = 210.0, r4 = 220.0,	&end

# 37 LYS CHI1:  (37 LYS N) - (37 LYS CA) - (37 LYS CB) - (37 LYS CG) -90.0 -30.0
 &rst     iat =   571,   573,   575,   578,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 38 GLU CHI1:  (38 GLU N) - (38 GLU CA) - (38 GLU CB) - (38 GLU CG) -90.0 -30.0
 &rst     iat =   593,   595,   597,   600,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 39 GLU CHI1:  (39 GLU N) - (39 GLU CA) - (39 GLU CB) - (39 GLU CG) -90.0 -30.0
 &rst     iat =   608,   610,   612,   615,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 41 CYS CHI1:  (41 CYM N) - (41 CYM CA) - (41 CYM CB) - (41 CYM SG) 150.0 210.0
 &rst     iat =   630,   632,   634,   637,
	  r1 = 140.0, r2 = 150.0, r3 = 210.0, r4 = 220.0,	&end

# 42 GLU CHI1:  (42 GLU N) - (42 GLU CA) - (42 GLU CB) - (42 GLU CG) 150.0 210.0
 &rst     iat =   640,   642,   644,   647,
	  r1 = 140.0, r2 = 150.0, r3 = 210.0, r4 = 220.0,	&end

# 43 LYS CHI1:  (43 LYS N) - (43 LYS CA) - (43 LYS CB) - (43 LYS CG) -90.0 -30.0
 &rst     iat =   655,   657,   659,   662,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 45 PHE CHI1:  (45 PHE N) - (45 PHE CA) - (45 PHE CB) - (45 PHE CG) -90.0 -30.0
 &rst     iat =   684,   686,   688,   691,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 46 THR CHI1:  (46 THR N) - (46 THR CA) - (46 THR CB) - (46 THR OG1)  30.0  90.0
 &rst     iat =   704,   706,   708,   714,
	  r1 =  20.0, r2 =  30.0, r3 =  90.0, r4 = 100.0,	&end

# 47 SER CHI1:  (47 SER N) - (47 SER CA) - (47 SER CB) - (47 SER OG)  30.0  90.0
 &rst     iat =   718,   720,   722,   725,
	  r1 =  20.0, r2 =  30.0, r3 =  90.0, r4 = 100.0,	&end

# 48 LEU CHI1:  (48 LEU N) - (48 LEU CA) - (48 LEU CB) - (48 LEU CG) 150.0 210.0
 &rst     iat =   729,   731,   733,   736,
	  r1 = 140.0, r2 = 150.0, r3 = 210.0, r4 = 220.0,	&end

# 51 LEU CHI1:  (51 LEU N) - (51 LEU CA) - (51 LEU CB) - (51 LEU CG) 150.0 210.0
 &rst     iat =   783,   785,   787,   790,
	  r1 = 140.0, r2 = 150.0, r3 = 210.0, r4 = 220.0,	&end

# 52 THR CHI1:  (52 THR N) - (52 THR CA) - (52 THR CB) - (52 THR OG1) -90.0 -30.0
 &rst     iat =   802,   804,   806,   812,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 54 HIS CHI1:  (54 HIS N) - (54 HIS CA) - (54 HIS CB) - (54 HIS CG) 150.0 210.0
 &rst     iat =   840,   842,   844,   847,
	  r1 = 140.0, r2 = 150.0, r3 = 210.0, r4 = 220.0,	&end

# 56 LEU CHI1:  (56 LEU N) - (56 LEU CA) - (56 LEU CB) - (56 LEU CG) -90.0 -30.0
 &rst     iat =   868,   870,   872,   875,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 57 THR CHI1:  (57 THR N) - (57 THR CA) - (57 THR CB) - (57 THR OG1)  30.0  90.0
 &rst     iat =   887,   889,   891,   897,
	  r1 =  20.0, r2 =  30.0, r3 =  90.0, r4 = 100.0,	&end

# 58 HIS CHI1:  (58 HIS N) - (58 HIS CA) - (58 HIS CB) - (58 HIS CG) -90.0 -30.0
 &rst     iat =   901,   903,   905,   908,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 59 THR CHI1:  (59 THR N) - (59 THR CA) - (59 THR CB) - (59 THR OG1)  30.0  90.0
 &rst     iat =   918,   920,   922,   928,
	  r1 =  20.0, r2 =  30.0, r3 =  90.0, r4 = 100.0,	&end

# 61 GLU CHI1:  (61 GLU N) - (61 GLU CA) - (61 GLU CB) - (61 GLU CG) -90.0 -30.0
 &rst     iat =   939,   941,   943,   946,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 62 LYS CHI1:  (62 LYS N) - (62 LYS CA) - (62 LYS CB) - (62 LYS CG) 150.0 210.0
 &rst     iat =   954,   956,   958,   961,
	  r1 = 140.0, r2 = 150.0, r3 = 210.0, r4 = 220.0,	&end

# 63 ASN CHI1:  (63 ASN N) - (63 ASN CA) - (63 ASN CB) - (63 ASN CG) -90.0 -30.0
 &rst     iat =   976,   978,   980,   983,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 64 PHE CHI1:  (64 PHE N) - (64 PHE CA) - (64 PHE CB) - (64 PHE CG) -90.0 -30.0
 &rst     iat =   990,   992,   994,   997,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 65 THR CHI1:  (65 THR N) - (65 THR CA) - (65 THR CB) - (65 THR OG1) -90.0 -30.0
 &rst     iat =  1010,  1012,  1014,  1020,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 66 CYS CHI1:  (66 CYM N) - (66 CYM CA) - (66 CYM CB) - (66 CYM SG) 150.0 210.0
 &rst     iat =  1024,  1026,  1028,  1031,
	  r1 = 140.0, r2 = 150.0, r3 = 210.0, r4 = 220.0,	&end

# 68 SER CHI1:  (68 SER N) - (68 SER CA) - (68 SER CB) - (68 SER OG) 150.0 210.0
 &rst     iat =  1046,  1048,  1050,  1053,
	  r1 = 140.0, r2 = 150.0, r3 = 210.0, r4 = 220.0,	&end

# 69 ASP CHI1:  (69 ASP N) - (69 ASP CA) - (69 ASP CB) - (69 ASP CG) -90.0 -30.0
 &rst     iat =  1057,  1059,  1061,  1064,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 71 CYS CHI1:  (71 CYM N) - (71 CYM CA) - (71 CYM CB) - (71 CYM SG) 150.0 210.0
 &rst     iat =  1076,  1078,  1080,  1083,
	  r1 = 140.0, r2 = 150.0, r3 = 210.0, r4 = 220.0,	&end

# 72 ASP CHI1:  (72 ASP N) - (72 ASP CA) - (72 ASP CB) - (72 ASP CG) -90.0 -30.0
 &rst     iat =  1086,  1088,  1090,  1093,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 73 LEU CHI1:  (73 LEU N) - (73 LEU CA) - (73 LEU CB) - (73 LEU CG) -90.0 -30.0
 &rst     iat =  1098,  1100,  1102,  1105,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 74 ARG CHI1:  (74 ARG N) - (74 ARG CA) - (74 ARG CB) - (74 ARG CG) -90.0 -30.0
 &rst     iat =  1117,  1119,  1121,  1124,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 75 PHE CHI1:  (75 PHE N) - (75 PHE CA) - (75 PHE CB) - (75 PHE CG) -90.0 -30.0
 &rst     iat =  1141,  1143,  1145,  1148,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 76 THR CHI1:  (76 THR N) - (76 THR CA) - (76 THR CB) - (76 THR OG1)  30.0  90.0
 &rst     iat =  1161,  1163,  1165,  1171,
	  r1 =  20.0, r2 =  30.0, r3 =  90.0, r4 = 100.0,	&end

# 77 THR CHI1:  (77 THR N) - (77 THR CA) - (77 THR CB) - (77 THR OG1)  30.0  90.0
 &rst     iat =  1175,  1177,  1179,  1185,
	  r1 =  20.0, r2 =  30.0, r3 =  90.0, r4 = 100.0,	&end

# 78 LYS CHI1:  (78 LYS N) - (78 LYS CA) - (78 LYS CB) - (78 LYS CG) -90.0 -30.0
 &rst     iat =  1189,  1191,  1193,  1196,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 83 LYS CHI1:  (83 LYS N) - (83 LYS CA) - (83 LYS CB) - (83 LYS CG) -90.0 -30.0
 &rst     iat =  1276,  1278,  1280,  1283,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 84 HIS CHI1:  (84 HIS N) - (84 HIS CA) - (84 HIS CB) - (84 HIS CG) 150.0 210.0
 &rst     iat =  1298,  1300,  1302,  1305,
	  r1 = 140.0, r2 = 150.0, r3 = 210.0, r4 = 220.0,	&end

# 85 PHE CHI1:  (85 PHE N) - (85 PHE CA) - (85 PHE CB) - (85 PHE CG) 150.0 210.0
 &rst     iat =  1315,  1317,  1319,  1322,
	  r1 = 140.0, r2 = 150.0, r3 = 210.0, r4 = 220.0,	&end

# 86 ASN CHI1:  (86 ASN N) - (86 ASN CA) - (86 ASN CB) - (86 ASN CG) -90.0 -30.0
 &rst     iat =  1335,  1337,  1339,  1342,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 88 PHE CHI1:  (88 PHE N) - (88 PHE CA) - (88 PHE CB) - (88 PHE CG) -90.0 -30.0
 &rst     iat =  1373,  1375,  1377,  1380,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 89 HIS CHI1:  (89 HIS N) - (89 HIS CA) - (89 HIS CB) - (89 HIS CG) -90.0 -30.0
 &rst     iat =  1393,  1395,  1397,  1400,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

#
#  chirality for residue 1 atoms:  CA CG HB2 HB3
 &rst iat=3,8,6,7, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 50., rk3=50.,  &end
#
#  chirality for residue 1 atoms:  CB SD HG2 HG3
 &rst iat=5,11,9,10, &end
#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,18,4,5, &end
#
#  chirality for residue 2 atoms:  CA CG HB2 HB3
 &rst iat=22,27,25,26, &end
#
#  chirality for residue 2 atoms:  CB CD HG2 HG3
 &rst iat=24,30,28,29, &end
#
#  chirality for residue 2 atoms:  CD NZ HE2 HE3
 &rst iat=30,36,34,35, &end
#
#  chirality for residue 2 atoms:  CG CE HD2 HD3
 &rst iat=27,33,31,32, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=20,40,23,24, &end
#
#  chirality for residue 3 atoms:  CA CG HB2 HB3
 &rst iat=44,49,47,48, &end
#
#  chirality for residue 3 atoms:  CB CD HG2 HG3
 &rst iat=46,52,50,51, &end
#
#  chirality for residue 3 atoms:  CG NE HD2 HD3
 &rst iat=49,55,53,54, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=42,64,45,46, &end
#
#  chirality for residue 4 atoms:  CA CG HB2 HB3
 &rst iat=68,73,71,72, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=66,85,69,70, &end
#
#  chirality for residue 5 atoms:  CA CG2 CG1 HB
 &rst iat=89,93,97,92, &end
#
#  chirality for residue 5 atoms:  CB CD1 HG12 HG13
 &rst iat=91,100,98,99, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=87,104,90,91, &end
#
#  chirality for residue 7 atoms:  CA OG HB2 HB3
 &rst iat=118,123,121,122, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=116,125,119,120, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=129,134,132,133, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=127,145,130,131, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=147,155,150,151, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=159,164,162,163, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=157,167,160,161, &end
#
#  chirality for residue 12 atoms:  N C HA2 HA3
 &rst iat=179,184,182,183, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=186,194,189,190, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=196,204,199,200, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=208,213,211,212, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=206,225,209,210, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat=229,234,232,233, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=227,239,230,231, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=243,248,246,247, &end
#
#  chirality for residue 17 atoms:  CB CD HG2 HG3
 &rst iat=245,251,249,250, &end
#
#  chirality for residue 17 atoms:  CD NZ HE2 HE3
 &rst iat=251,257,255,256, &end
#
#  chirality for residue 17 atoms:  CG CE HD2 HD3
 &rst iat=248,254,252,253, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=241,261,244,245, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=265,270,268,269, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=263,275,266,267, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=279,284,282,283, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=277,299,280,281, &end
#
#  chirality for residue 20 atoms:  CA CG HB2 HB3
 &rst iat=303,308,306,307, &end
#
#  chirality for residue 20 atoms:  CB CD HG2 HG3
 &rst iat=305,311,309,310, &end
#
#  chirality for residue 20 atoms:  CD NZ HE2 HE3
 &rst iat=311,317,315,316, &end
#
#  chirality for residue 20 atoms:  CG CE HD2 HD3
 &rst iat=308,314,312,313, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=301,321,304,305, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=325,330,328,329, &end
#
#  chirality for residue 21 atoms:  CB CD1 CD2 HG
 &rst iat=327,332,336,331, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=323,340,326,327, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=344,349,347,348, &end
#
#  chirality for residue 22 atoms:  CB CD HG2 HG3
 &rst iat=346,352,350,351, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=342,357,345,346, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=359,367,362,363, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=371,376,374,375, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=369,384,372,373, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=388,393,391,392, &end
#
#  chirality for residue 25 atoms:  CB CD1 CD2 HG
 &rst iat=390,395,399,394, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=386,403,389,390, &end
#
#  chirality for residue 26 atoms:  CA OG HB2 HB3
 &rst iat=407,412,410,411, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=405,414,408,409, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=418,423,421,422, &end
#
#  chirality for residue 27 atoms:  CB CD HG2 HG3
 &rst iat=420,426,424,425, &end
#
#  chirality for residue 27 atoms:  CD NZ HE2 HE3
 &rst iat=426,432,430,431, &end
#
#  chirality for residue 27 atoms:  CG CE HD2 HD3
 &rst iat=423,429,427,428, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=416,436,419,420, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=440,445,443,444, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=438,453,441,442, &end
#
#  chirality for residue 29 atoms:  CA CG2 OG1 HB
 &rst iat=457,461,465,460, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=455,467,458,459, &end
#
#  chirality for residue 30 atoms:  N C HA2 HA3
 &rst iat=469,474,472,473, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat=478,483,481,482, &end
#
#  chirality for residue 31 atoms:  CB CD HG2 HG3
 &rst iat=480,486,484,485, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=476,489,479,480, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=493,498,496,497, &end
#
#  chirality for residue 32 atoms:  CB CD HG2 HG3
 &rst iat=495,501,499,500, &end
#
#  chirality for residue 32 atoms:  CD NZ HE2 HE3
 &rst iat=501,507,505,506, &end
#
#  chirality for residue 32 atoms:  CG CE HD2 HD3
 &rst iat=498,504,502,503, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=491,511,494,495, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=523,517,521,522, &end
#
#  chirality for residue 33 atoms:  CB CD HG2 HG3
 &rst iat=520,514,518,519, &end
#
#  chirality for residue 33 atoms:  CG N HD2 HD3
 &rst iat=517,513,515,516, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=513,525,524,520, &end
#
#  chirality for residue 34 atoms:  CA CG HB2 HB3
 &rst iat=529,534,532,533, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=527,545,530,531, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=557,551,555,556, &end
#
#  chirality for residue 35 atoms:  CB CD HG2 HG3
 &rst iat=554,548,552,553, &end
#
#  chirality for residue 35 atoms:  CG N HD2 HD3
 &rst iat=551,547,549,550, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=547,559,558,554, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=573,578,576,577, &end
#
#  chirality for residue 37 atoms:  CB CD HG2 HG3
 &rst iat=575,581,579,580, &end
#
#  chirality for residue 37 atoms:  CD NZ HE2 HE3
 &rst iat=581,587,585,586, &end
#
#  chirality for residue 37 atoms:  CG CE HD2 HD3
 &rst iat=578,584,582,583, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=571,591,574,575, &end
#
#  chirality for residue 38 atoms:  CA CG HB2 HB3
 &rst iat=595,600,598,599, &end
#
#  chirality for residue 38 atoms:  CB CD HG2 HG3
 &rst iat=597,603,601,602, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=593,606,596,597, &end
#
#  chirality for residue 39 atoms:  CA CG HB2 HB3
 &rst iat=610,615,613,614, &end
#
#  chirality for residue 39 atoms:  CB CD HG2 HG3
 &rst iat=612,618,616,617, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=608,621,611,612, &end
#
#  chirality for residue 40 atoms:  N C HA2 HA3
 &rst iat=623,628,626,627, &end
#
#  chirality for residue 42 atoms:  CA CG HB2 HB3
 &rst iat=642,647,645,646, &end
#
#  chirality for residue 42 atoms:  CB CD HG2 HG3
 &rst iat=644,650,648,649, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=640,653,643,644, &end
#
#  chirality for residue 43 atoms:  CA CG HB2 HB3
 &rst iat=657,662,660,661, &end
#
#  chirality for residue 43 atoms:  CB CD HG2 HG3
 &rst iat=659,665,663,664, &end
#
#  chirality for residue 43 atoms:  CD NZ HE2 HE3
 &rst iat=665,671,669,670, &end
#
#  chirality for residue 43 atoms:  CG CE HD2 HD3
 &rst iat=662,668,666,667, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=655,675,658,659, &end
#
#  chirality for residue 44 atoms:  N C HA2 HA3
 &rst iat=677,682,680,681, &end
#
#  chirality for residue 45 atoms:  CA CG HB2 HB3
 &rst iat=686,691,689,690, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=684,702,687,688, &end
#
#  chirality for residue 46 atoms:  CA CG2 OG1 HB
 &rst iat=706,710,714,709, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=704,716,707,708, &end
#
#  chirality for residue 47 atoms:  CA OG HB2 HB3
 &rst iat=720,725,723,724, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=718,727,721,722, &end
#
#  chirality for residue 48 atoms:  CA CG HB2 HB3
 &rst iat=731,736,734,735, &end
#
#  chirality for residue 48 atoms:  CB CD1 CD2 HG
 &rst iat=733,738,742,737, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=729,746,732,733, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=750,755,753,754, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=748,763,751,752, &end
#
#  chirality for residue 50 atoms:  CA CG HB2 HB3
 &rst iat=767,772,770,771, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=765,781,768,769, &end
#
#  chirality for residue 51 atoms:  CA CG HB2 HB3
 &rst iat=785,790,788,789, &end
#
#  chirality for residue 51 atoms:  CB CD1 CD2 HG
 &rst iat=787,792,796,791, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=783,800,786,787, &end
#
#  chirality for residue 52 atoms:  CA CG2 OG1 HB
 &rst iat=804,808,812,807, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=802,814,805,806, &end
#
#  chirality for residue 53 atoms:  CA CG HB2 HB3
 &rst iat=818,823,821,822, &end
#
#  chirality for residue 53 atoms:  CB CD HG2 HG3
 &rst iat=820,826,824,825, &end
#
#  chirality for residue 53 atoms:  CG NE HD2 HD3
 &rst iat=823,829,827,828, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=816,838,819,820, &end
#
#  chirality for residue 54 atoms:  CA CG HB2 HB3
 &rst iat=842,847,845,846, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=840,855,843,844, &end
#
#  chirality for residue 55 atoms:  CA OG HB2 HB3
 &rst iat=859,864,862,863, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=857,866,860,861, &end
#
#  chirality for residue 56 atoms:  CA CG HB2 HB3
 &rst iat=870,875,873,874, &end
#
#  chirality for residue 56 atoms:  CB CD1 CD2 HG
 &rst iat=872,877,881,876, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=868,885,871,872, &end
#
#  chirality for residue 57 atoms:  CA CG2 OG1 HB
 &rst iat=889,893,897,892, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=887,899,890,891, &end
#
#  chirality for residue 58 atoms:  CA CG HB2 HB3
 &rst iat=903,908,906,907, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=901,916,904,905, &end
#
#  chirality for residue 59 atoms:  CA CG2 OG1 HB
 &rst iat=920,924,928,923, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=918,930,921,922, &end
#
#  chirality for residue 60 atoms:  N C HA2 HA3
 &rst iat=932,937,935,936, &end
#
#  chirality for residue 61 atoms:  CA CG HB2 HB3
 &rst iat=941,946,944,945, &end
#
#  chirality for residue 61 atoms:  CB CD HG2 HG3
 &rst iat=943,949,947,948, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=939,952,942,943, &end
#
#  chirality for residue 62 atoms:  CA CG HB2 HB3
 &rst iat=956,961,959,960, &end
#
#  chirality for residue 62 atoms:  CB CD HG2 HG3
 &rst iat=958,964,962,963, &end
#
#  chirality for residue 62 atoms:  CD NZ HE2 HE3
 &rst iat=964,970,968,969, &end
#
#  chirality for residue 62 atoms:  CG CE HD2 HD3
 &rst iat=961,967,965,966, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=954,974,957,958, &end
#
#  chirality for residue 63 atoms:  CA CG HB2 HB3
 &rst iat=978,983,981,982, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=976,988,979,980, &end
#
#  chirality for residue 64 atoms:  CA CG HB2 HB3
 &rst iat=992,997,995,996, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=990,1008,993,994, &end
#
#  chirality for residue 65 atoms:  CA CG2 OG1 HB
 &rst iat=1012,1016,1020,1015, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=1010,1022,1013,1014, &end
#
#  chirality for residue 67 atoms:  CA CG HB2 HB3
 &rst iat=1036,1041,1039,1040, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=1034,1044,1037,1038, &end
#
#  chirality for residue 68 atoms:  CA OG HB2 HB3
 &rst iat=1048,1053,1051,1052, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=1046,1055,1049,1050, &end
#
#  chirality for residue 69 atoms:  CA CG HB2 HB3
 &rst iat=1059,1064,1062,1063, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1057,1067,1060,1061, &end
#
#  chirality for residue 70 atoms:  N C HA2 HA3
 &rst iat=1069,1074,1072,1073, &end
#
#  chirality for residue 72 atoms:  CA CG HB2 HB3
 &rst iat=1088,1093,1091,1092, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1086,1096,1089,1090, &end
#
#  chirality for residue 73 atoms:  CA CG HB2 HB3
 &rst iat=1100,1105,1103,1104, &end
#
#  chirality for residue 73 atoms:  CB CD1 CD2 HG
 &rst iat=1102,1107,1111,1106, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1098,1115,1101,1102, &end
#
#  chirality for residue 74 atoms:  CA CG HB2 HB3
 &rst iat=1119,1124,1122,1123, &end
#
#  chirality for residue 74 atoms:  CB CD HG2 HG3
 &rst iat=1121,1127,1125,1126, &end
#
#  chirality for residue 74 atoms:  CG NE HD2 HD3
 &rst iat=1124,1130,1128,1129, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1117,1139,1120,1121, &end
#
#  chirality for residue 75 atoms:  CA CG HB2 HB3
 &rst iat=1143,1148,1146,1147, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1141,1159,1144,1145, &end
#
#  chirality for residue 76 atoms:  CA CG2 OG1 HB
 &rst iat=1163,1167,1171,1166, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1161,1173,1164,1165, &end
#
#  chirality for residue 77 atoms:  CA CG2 OG1 HB
 &rst iat=1177,1181,1185,1180, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1175,1187,1178,1179, &end
#
#  chirality for residue 78 atoms:  CA CG HB2 HB3
 &rst iat=1191,1196,1194,1195, &end
#
#  chirality for residue 78 atoms:  CB CD HG2 HG3
 &rst iat=1193,1199,1197,1198, &end
#
#  chirality for residue 78 atoms:  CD NZ HE2 HE3
 &rst iat=1199,1205,1203,1204, &end
#
#  chirality for residue 78 atoms:  CG CE HD2 HD3
 &rst iat=1196,1202,1200,1201, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1189,1209,1192,1193, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1211,1219,1214,1215, &end
#
#  chirality for residue 80 atoms:  CA CG HB2 HB3
 &rst iat=1223,1228,1226,1227, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1221,1233,1224,1225, &end
#
#  chirality for residue 81 atoms:  CA CG HB2 HB3
 &rst iat=1237,1242,1240,1241, &end
#
#  chirality for residue 81 atoms:  CB SD HG2 HG3
 &rst iat=1239,1245,1243,1244, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1235,1252,1238,1239, &end
#
#  chirality for residue 82 atoms:  CA CG HB2 HB3
 &rst iat=1256,1261,1259,1260, &end
#
#  chirality for residue 82 atoms:  CB CD HG2 HG3
 &rst iat=1258,1264,1262,1263, &end
#
#  chirality for residue 82 atoms:  CD NZ HE2 HE3
 &rst iat=1264,1270,1268,1269, &end
#
#  chirality for residue 82 atoms:  CG CE HD2 HD3
 &rst iat=1261,1267,1265,1266, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1254,1274,1257,1258, &end
#
#  chirality for residue 83 atoms:  CA CG HB2 HB3
 &rst iat=1278,1283,1281,1282, &end
#
#  chirality for residue 83 atoms:  CB CD HG2 HG3
 &rst iat=1280,1286,1284,1285, &end
#
#  chirality for residue 83 atoms:  CD NZ HE2 HE3
 &rst iat=1286,1292,1290,1291, &end
#
#  chirality for residue 83 atoms:  CG CE HD2 HD3
 &rst iat=1283,1289,1287,1288, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1276,1296,1279,1280, &end
#
#  chirality for residue 84 atoms:  CA CG HB2 HB3
 &rst iat=1300,1305,1303,1304, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1298,1313,1301,1302, &end
#
#  chirality for residue 85 atoms:  CA CG HB2 HB3
 &rst iat=1317,1322,1320,1321, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1315,1333,1318,1319, &end
#
#  chirality for residue 86 atoms:  CA CG HB2 HB3
 &rst iat=1337,1342,1340,1341, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=1335,1347,1338,1339, &end
#
#  chirality for residue 87 atoms:  CA CG HB2 HB3
 &rst iat=1351,1356,1354,1355, &end
#
#  chirality for residue 87 atoms:  CB CD HG2 HG3
 &rst iat=1353,1359,1357,1358, &end
#
#  chirality for residue 87 atoms:  CG NE HD2 HD3
 &rst iat=1356,1362,1360,1361, &end
#
#  chirality for residue 87 atoms:  N C HA CB
 &rst iat=1349,1371,1352,1353, &end
#
#  chirality for residue 88 atoms:  CA CG HB2 HB3
 &rst iat=1375,1380,1378,1379, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=1373,1391,1376,1377, &end
#
#  chirality for residue 89 atoms:  CA CG HB2 HB3
 &rst iat=1395,1400,1398,1399, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1393,1408,1396,1397, &end
#
#  chirality for residue 90 atoms:  CA CG HB2 HB3
 &rst iat=1412,1417,1415,1416, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1410,1422,1413,1414, &end
#
#  chirality for residue 91 atoms:  CA CG2 CG1 HB
 &rst iat=1426,1430,1434,1429, &end
#
#  chirality for residue 91 atoms:  CB CD1 HG12 HG13
 &rst iat=1428,1437,1435,1436, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1424,1441,1427,1428, &end
#
#  chirality for residue 92 atoms:  CA CG HB2 HB3
 &rst iat=1445,1450,1448,1449, &end
#
#  chirality for residue 92 atoms:  CB CD HG2 HG3
 &rst iat=1447,1453,1451,1452, &end
#
#  chirality for residue 92 atoms:  CD NZ HE2 HE3
 &rst iat=1453,1459,1457,1458, &end
#
#  chirality for residue 92 atoms:  CG CE HD2 HD3
 &rst iat=1450,1456,1454,1455, &end
#
#  chirality for residue 92 atoms:  N C HA CB
 &rst iat=1443,1463,1446,1447, &end
#
#  chirality for residue 96 atoms:  C2' O4' N1 H1'
 &rst iat=1494,1475,1478,1477, &end
#
#  chirality for residue 96 atoms:  C3' C1' H2'1 H2'2
 &rst iat=1492,1476,1495,1496, &end
#
#  chirality for residue 96 atoms:  O3' C2' C4' H3'
 &rst iat=1497,1494,1473,1493, &end
#
#  chirality for residue 96 atoms:  C3' C5' O4' H4'
 &rst iat=1492,1470,1475,1474, &end
#
#  chirality for residue 96 atoms:  C4' O5' H5'1 H5'2
 &rst iat=1473,1469,1471,1472, &end
#
#  chirality for residue 97 atoms:  C2' O4' N1 H1'
 &rst iat=1526,1507,1510,1509, &end
#
#  chirality for residue 97 atoms:  C3' C1' H2'1 H2'2
 &rst iat=1524,1508,1527,1528, &end
#
#  chirality for residue 97 atoms:  O3' C2' C4' H3'
 &rst iat=1529,1526,1505,1525, &end
#
#  chirality for residue 97 atoms:  C3' C5' O4' H4'
 &rst iat=1524,1502,1507,1506, &end
#
#  chirality for residue 97 atoms:  C4' O5' H5'1 H5'2
 &rst iat=1505,1501,1503,1504, &end
#
#  chirality for residue 98 atoms:  C2' O4' N9 H1'
 &rst iat=1559,1539,1542,1541, &end
#
#  chirality for residue 98 atoms:  C3' C1' H2'1 H2'2
 &rst iat=1557,1540,1560,1561, &end
#
#  chirality for residue 98 atoms:  O3' C2' C4' H3'
 &rst iat=1562,1559,1537,1558, &end
#
#  chirality for residue 98 atoms:  C3' C5' O4' H4'
 &rst iat=1557,1534,1539,1538, &end
#
#  chirality for residue 98 atoms:  C4' O5' H5'1 H5'2
 &rst iat=1537,1533,1535,1536, &end
#
#  chirality for residue 99 atoms:  C2' O4' N9 H1'
 &rst iat=1592,1572,1575,1574, &end
#
#  chirality for residue 99 atoms:  C3' C1' H2'1 H2'2
 &rst iat=1590,1573,1593,1594, &end
#
#  chirality for residue 99 atoms:  O3' C2' C4' H3'
 &rst iat=1595,1592,1570,1591, &end
#
#  chirality for residue 99 atoms:  C3' C5' O4' H4'
 &rst iat=1590,1567,1572,1571, &end
#
#  chirality for residue 99 atoms:  C4' O5' H5'1 H5'2
 &rst iat=1570,1566,1568,1569, &end
#
#  chirality for residue 100 atoms:  C2' O4' N9 H1'
 &rst iat=1624,1605,1608,1607, &end
#
#  chirality for residue 100 atoms:  C3' C1' H2'1 H2'2
 &rst iat=1622,1606,1625,1626, &end
#
#  chirality for residue 100 atoms:  O3' C2' C4' H3'
 &rst iat=1627,1624,1603,1623, &end
#
#  chirality for residue 100 atoms:  C3' C5' O4' H4'
 &rst iat=1622,1600,1605,1604, &end
#
#  chirality for residue 100 atoms:  C4' O5' H5'1 H5'2
 &rst iat=1603,1599,1601,1602, &end
#
#  chirality for residue 101 atoms:  C2' O4' N1 H1'
 &rst iat=1656,1637,1640,1639, &end
#
#  chirality for residue 101 atoms:  C3' C1' H2'1 H2'2
 &rst iat=1654,1638,1657,1658, &end
#
#  chirality for residue 101 atoms:  O3' C2' C4' H3'
 &rst iat=1659,1656,1635,1655, &end
#
#  chirality for residue 101 atoms:  C3' C5' O4' H4'
 &rst iat=1654,1632,1637,1636, &end
#
#  chirality for residue 101 atoms:  C4' O5' H5'1 H5'2
 &rst iat=1635,1631,1633,1634, &end
#
#  chirality for residue 102 atoms:  C2' O4' N9 H1'
 &rst iat=1689,1669,1672,1671, &end
#
#  chirality for residue 102 atoms:  C3' C1' H2'1 H2'2
 &rst iat=1687,1670,1690,1691, &end
#
#  chirality for residue 102 atoms:  O3' C2' C4' H3'
 &rst iat=1692,1689,1667,1688, &end
#
#  chirality for residue 102 atoms:  C3' C5' O4' H4'
 &rst iat=1687,1664,1669,1668, &end
#
#  chirality for residue 102 atoms:  C4' O5' H5'1 H5'2
 &rst iat=1667,1663,1665,1666, &end
#
#  chirality for residue 103 atoms:  C2' O4' N9 H1'
 &rst iat=1722,1702,1705,1704, &end
#
#  chirality for residue 103 atoms:  C3' C1' H2'1 H2'2
 &rst iat=1720,1703,1723,1724, &end
#
#  chirality for residue 103 atoms:  O3' C2' C4' H3'
 &rst iat=1725,1722,1700,1721, &end
#
#  chirality for residue 103 atoms:  C3' C5' O4' H4'
 &rst iat=1720,1697,1702,1701, &end
#
#  chirality for residue 103 atoms:  C4' O5' H5'1 H5'2
 &rst iat=1700,1696,1698,1699, &end
#
#  chirality for residue 104 atoms:  C2' O4' N9 H1'
 &rst iat=1755,1735,1738,1737, &end
#
#  chirality for residue 104 atoms:  C3' C1' H2'1 H2'2
 &rst iat=1753,1736,1756,1757, &end
#
#  chirality for residue 104 atoms:  O3' C2' C4' H3'
 &rst iat=1758,1755,1733,1754, &end
#
#  chirality for residue 104 atoms:  C3' C5' O4' H4'
 &rst iat=1753,1730,1735,1734, &end
#
#  chirality for residue 104 atoms:  C4' O5' H5'1 H5'2
 &rst iat=1733,1729,1731,1732, &end
#
#  chirality for residue 105 atoms:  C2' O4' N9 H1'
 &rst iat=1787,1768,1771,1770, &end
#
#  chirality for residue 105 atoms:  C3' C1' H2'1 H2'2
 &rst iat=1785,1769,1788,1789, &end
#
#  chirality for residue 105 atoms:  O3' C2' C4' H3'
 &rst iat=1790,1787,1766,1786, &end
#
#  chirality for residue 105 atoms:  C3' C5' O4' H4'
 &rst iat=1785,1763,1768,1767, &end
#
#  chirality for residue 105 atoms:  C4' O5' H5'1 H5'2
 &rst iat=1766,1762,1764,1765, &end
#
#  chirality for residue 106 atoms:  C2' O4' N9 H1'
 &rst iat=1820,1800,1803,1802, &end
#
#  chirality for residue 106 atoms:  C3' C1' H2'1 H2'2
 &rst iat=1818,1801,1821,1822, &end
#
#  chirality for residue 106 atoms:  O3' C2' C4' H3'
 &rst iat=1823,1820,1798,1819, &end
#
#  chirality for residue 106 atoms:  C3' C5' O4' H4'
 &rst iat=1818,1795,1800,1799, &end
#
#  chirality for residue 106 atoms:  C4' O5' H5'1 H5'2
 &rst iat=1798,1794,1796,1797, &end
#
#  chirality for residue 107 atoms:  C2' O4' N9 H1'
 &rst iat=1852,1833,1836,1835, &end
#
#  chirality for residue 107 atoms:  C3' C1' H2'1 H2'2
 &rst iat=1850,1834,1853,1854, &end
#
#  chirality for residue 107 atoms:  O3' C2' C4' H3'
 &rst iat=1855,1852,1831,1851, &end
#
#  chirality for residue 107 atoms:  C3' C5' O4' H4'
 &rst iat=1850,1828,1833,1832, &end
#
#  chirality for residue 107 atoms:  C4' O5' H5'1 H5'2
 &rst iat=1831,1827,1829,1830, &end
#
#  chirality for residue 108 atoms:  C2' O4' N1 H1'
 &rst iat=1882,1865,1868,1867, &end
#
#  chirality for residue 108 atoms:  C3' C1' H2'1 H2'2
 &rst iat=1880,1866,1883,1884, &end
#
#  chirality for residue 108 atoms:  O3' C2' C4' H3'
 &rst iat=1885,1882,1863,1881, &end
#
#  chirality for residue 108 atoms:  C3' C5' O4' H4'
 &rst iat=1880,1860,1865,1864, &end
#
#  chirality for residue 108 atoms:  C4' O5' H5'1 H5'2
 &rst iat=1863,1859,1861,1862, &end
#
#  chirality for residue 109 atoms:  C2' O4' N1 H1'
 &rst iat=1912,1895,1898,1897, &end
#
#  chirality for residue 109 atoms:  C3' C1' H2'1 H2'2
 &rst iat=1910,1896,1913,1914, &end
#
#  chirality for residue 109 atoms:  O3' C2' C4' H3'
 &rst iat=1915,1912,1893,1911, &end
#
#  chirality for residue 109 atoms:  C3' C5' O4' H4'
 &rst iat=1910,1890,1895,1894, &end
#
#  chirality for residue 109 atoms:  C4' O5' H5'1 H5'2
 &rst iat=1893,1889,1891,1892, &end
#
#  chirality for residue 110 atoms:  C2' O4' N9 H1'
 &rst iat=1945,1925,1928,1927, &end
#
#  chirality for residue 110 atoms:  C3' C1' H2'1 H2'2
 &rst iat=1943,1926,1946,1947, &end
#
#  chirality for residue 110 atoms:  O3' C2' C4' H3'
 &rst iat=1948,1945,1923,1944, &end
#
#  chirality for residue 110 atoms:  C3' C5' O4' H4'
 &rst iat=1943,1920,1925,1924, &end
#
#  chirality for residue 110 atoms:  C4' O5' H5'1 H5'2
 &rst iat=1923,1919,1921,1922, &end
#
#  chirality for residue 111 atoms:  C2' O4' N1 H1'
 &rst iat=1974,1957,1960,1959, &end
#
#  chirality for residue 111 atoms:  C3' C1' H2'1 H2'2
 &rst iat=1972,1958,1975,1976, &end
#
#  chirality for residue 111 atoms:  O3' C2' C4' H3'
 &rst iat=1977,1974,1955,1973, &end
#
#  chirality for residue 111 atoms:  C3' C5' O4' H4'
 &rst iat=1972,1952,1957,1956, &end
#
#  chirality for residue 111 atoms:  C4' O5' H5'1 H5'2
 &rst iat=1955,1951,1953,1954, &end
#
#  chirality for residue 112 atoms:  C2' O4' N9 H1'
 &rst iat=2007,1987,1990,1989, &end
#
#  chirality for residue 112 atoms:  C3' C1' H2'1 H2'2
 &rst iat=2005,1988,2008,2009, &end
#
#  chirality for residue 112 atoms:  O3' C2' C4' H3'
 &rst iat=2010,2007,1985,2006, &end
#
#  chirality for residue 112 atoms:  C3' C5' O4' H4'
 &rst iat=2005,1982,1987,1986, &end
#
#  chirality for residue 112 atoms:  C4' O5' H5'1 H5'2
 &rst iat=1985,1981,1983,1984, &end
#
#  chirality for residue 113 atoms:  C2' O4' N9 H1'
 &rst iat=2040,2020,2023,2022, &end
#
#  chirality for residue 113 atoms:  C3' C1' H2'1 H2'2
 &rst iat=2038,2021,2041,2042, &end
#
#  chirality for residue 113 atoms:  O3' C2' C4' H3'
 &rst iat=2043,2040,2018,2039, &end
#
#  chirality for residue 113 atoms:  C3' C5' O4' H4'
 &rst iat=2038,2015,2020,2019, &end
#
#  chirality for residue 113 atoms:  C4' O5' H5'1 H5'2
 &rst iat=2018,2014,2016,2017, &end
#
#  chirality for residue 114 atoms:  C2' O4' N1 H1'
 &rst iat=2072,2053,2056,2055, &end
#
#  chirality for residue 114 atoms:  C3' C1' H2'1 H2'2
 &rst iat=2070,2054,2073,2074, &end
#
#  chirality for residue 114 atoms:  O3' C2' C4' H3'
 &rst iat=2075,2072,2051,2071, &end
#
#  chirality for residue 114 atoms:  C3' C5' O4' H4'
 &rst iat=2070,2048,2053,2052, &end
#
#  chirality for residue 114 atoms:  C4' O5' H5'1 H5'2
 &rst iat=2051,2047,2049,2050, &end
#
#  chirality for residue 115 atoms:  C2' O4' N1 H1'
 &rst iat=2102,2085,2088,2087, &end
#
#  chirality for residue 115 atoms:  C3' C1' H2'1 H2'2
 &rst iat=2100,2086,2103,2104, &end
#
#  chirality for residue 115 atoms:  O3' C2' C4' H3'
 &rst iat=2105,2102,2083,2101, &end
#
#  chirality for residue 115 atoms:  C3' C5' O4' H4'
 &rst iat=2100,2080,2085,2084, &end
#
#  chirality for residue 115 atoms:  C4' O5' H5'1 H5'2
 &rst iat=2083,2079,2081,2082, &end
#
#  chirality for residue 116 atoms:  C2' O4' N1 H1'
 &rst iat=2134,2115,2118,2117, &end
#
#  chirality for residue 116 atoms:  C3' C1' H2'1 H2'2
 &rst iat=2132,2116,2135,2136, &end
#
#  chirality for residue 116 atoms:  O3' C2' C4' H3'
 &rst iat=2137,2134,2113,2133, &end
#
#  chirality for residue 116 atoms:  C3' C5' O4' H4'
 &rst iat=2132,2110,2115,2114, &end
#
#  chirality for residue 116 atoms:  C4' O5' H5'1 H5'2
 &rst iat=2113,2109,2111,2112, &end
#
#  chirality for residue 117 atoms:  C2' O4' N1 H1'
 &rst iat=2164,2147,2150,2149, &end
#
#  chirality for residue 117 atoms:  C3' C1' H2'1 H2'2
 &rst iat=2162,2148,2165,2166, &end
#
#  chirality for residue 117 atoms:  O3' C2' C4' H3'
 &rst iat=2167,2164,2145,2163, &end
#
#  chirality for residue 117 atoms:  C3' C5' O4' H4'
 &rst iat=2162,2142,2147,2146, &end
#
#  chirality for residue 117 atoms:  C4' O5' H5'1 H5'2
 &rst iat=2145,2141,2143,2144, &end
#
#  chirality for residue 118 atoms:  C2' O4' N1 H1'
 &rst iat=2194,2177,2180,2179, &end
#
#  chirality for residue 118 atoms:  C3' C1' H2'1 H2'2
 &rst iat=2192,2178,2195,2196, &end
#
#  chirality for residue 118 atoms:  O3' C2' C4' H3'
 &rst iat=2197,2194,2175,2193, &end
#
#  chirality for residue 118 atoms:  C3' C5' O4' H4'
 &rst iat=2192,2172,2177,2176, &end
#
#  chirality for residue 118 atoms:  C4' O5' H5'1 H5'2
 &rst iat=2175,2171,2173,2174, &end
#
#  chirality for residue 119 atoms:  C2' O4' N1 H1'
 &rst iat=2224,2207,2210,2209, &end
#
#  chirality for residue 119 atoms:  C3' C1' H2'1 H2'2
 &rst iat=2222,2208,2225,2226, &end
#
#  chirality for residue 119 atoms:  O3' C2' C4' H3'
 &rst iat=2227,2224,2205,2223, &end
#
#  chirality for residue 119 atoms:  C3' C5' O4' H4'
 &rst iat=2222,2202,2207,2206, &end
#
#  chirality for residue 119 atoms:  C4' O5' H5'1 H5'2
 &rst iat=2205,2201,2203,2204, &end
#
#  chirality for residue 120 atoms:  C2' O4' N9 H1'
 &rst iat=2256,2237,2240,2239, &end
#
#  chirality for residue 120 atoms:  C3' C1' H2'1 H2'2
 &rst iat=2254,2238,2257,2258, &end
#
#  chirality for residue 120 atoms:  O3' C2' C4' H3'
 &rst iat=2259,2256,2235,2255, &end
#
#  chirality for residue 120 atoms:  C3' C5' O4' H4'
 &rst iat=2254,2232,2237,2236, &end
#
#  chirality for residue 120 atoms:  C4' O5' H5'1 H5'2
 &rst iat=2235,2231,2233,2234, &end
#
#  chirality for residue 121 atoms:  C2' O4' N1 H1'
 &rst iat=2288,2269,2272,2271, &end
#
#  chirality for residue 121 atoms:  C3' C1' H2'1 H2'2
 &rst iat=2286,2270,2289,2290, &end
#
#  chirality for residue 121 atoms:  O3' C2' C4' H3'
 &rst iat=2291,2288,2267,2287, &end
#
#  chirality for residue 121 atoms:  C3' C5' O4' H4'
 &rst iat=2286,2264,2269,2268, &end
#
#  chirality for residue 121 atoms:  C4' O5' H5'1 H5'2
 &rst iat=2267,2263,2265,2266, &end
#
#  chirality for residue 122 atoms:  C2' O4' N1 H1'
 &rst iat=2318,2301,2304,2303, &end
#
#  chirality for residue 122 atoms:  C3' C1' H2'1 H2'2
 &rst iat=2316,2302,2319,2320, &end
#
#  chirality for residue 122 atoms:  O3' C2' C4' H3'
 &rst iat=2321,2318,2299,2317, &end
#
#  chirality for residue 122 atoms:  C3' C5' O4' H4'
 &rst iat=2316,2296,2301,2300, &end
#
#  chirality for residue 122 atoms:  C4' O5' H5'1 H5'2
 &rst iat=2299,2295,2297,2298, &end
#
#  chirality for residue 123 atoms:  C2' O4' N1 H1'
 &rst iat=2348,2331,2334,2333, &end
#
#  chirality for residue 123 atoms:  C3' C1' H2'1 H2'2
 &rst iat=2346,2332,2349,2350, &end
#
#  chirality for residue 123 atoms:  O3' C2' C4' H3'
 &rst iat=2351,2348,2329,2347, &end
#
#  chirality for residue 123 atoms:  C3' C5' O4' H4'
 &rst iat=2346,2326,2331,2330, &end
#
#  chirality for residue 123 atoms:  C4' O5' H5'1 H5'2
 &rst iat=2329,2325,2327,2328, &end
#
#  chirality for residue 124 atoms:  C2' O4' N9 H1'
 &rst iat=2380,2361,2364,2363, &end
#
#  chirality for residue 124 atoms:  C3' C1' H2'1 H2'2
 &rst iat=2378,2362,2381,2382, &end
#
#  chirality for residue 124 atoms:  O3' C2' C4' H3'
 &rst iat=2383,2380,2359,2379, &end
#
#  chirality for residue 124 atoms:  C3' C5' O4' H4'
 &rst iat=2378,2356,2361,2360, &end
#
#  chirality for residue 124 atoms:  C4' O5' H5'1 H5'2
 &rst iat=2359,2355,2357,2358, &end
#
#  chirality for residue 125 atoms:  C2' O4' N9 H1'
 &rst iat=2412,2393,2396,2395, &end
#
#  chirality for residue 125 atoms:  C3' C1' H2'1 H2'2
 &rst iat=2410,2394,2413,2414, &end
#
#  chirality for residue 125 atoms:  O3' C2' C4' H3'
 &rst iat=2415,2412,2391,2411, &end
#
#  chirality for residue 125 atoms:  C3' C5' O4' H4'
 &rst iat=2410,2388,2393,2392, &end
#
#  chirality for residue 125 atoms:  C4' O5' H5'1 H5'2
 &rst iat=2391,2387,2389,2390, &end
#
#  trans-omega constraint for residue 2
 &rst iat=22,20,18,3, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3=50.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=44,42,40,22, &end
#
#  trans-omega constraint for residue 4
 &rst iat=68,66,64,44, &end
#
#  trans-omega constraint for residue 5
 &rst iat=89,87,85,68, &end
#
#  trans-omega constraint for residue 6
 &rst iat=108,106,104,89, &end
#
#  trans-omega constraint for residue 7
 &rst iat=118,116,114,108, &end
#
#  trans-omega constraint for residue 8
 &rst iat=129,127,125,118, &end
#
#  trans-omega constraint for residue 9
 &rst iat=149,147,145,129, &end
#
#  trans-omega constraint for residue 10
 &rst iat=159,157,155,149, &end
#
#  trans-omega constraint for residue 11
 &rst iat=171,169,167,159, &end
#
#  trans-omega constraint for residue 12
 &rst iat=181,179,177,171, &end
#
#  trans-omega constraint for residue 13
 &rst iat=188,186,184,181, &end
#
#  trans-omega constraint for residue 14
 &rst iat=198,196,194,188, &end
#
#  trans-omega constraint for residue 15
 &rst iat=208,206,204,198, &end
#
#  trans-omega constraint for residue 16
 &rst iat=229,227,225,208, &end
#
#  trans-omega constraint for residue 17
 &rst iat=243,241,239,229, &end
#
#  trans-omega constraint for residue 18
 &rst iat=265,263,261,243, &end
#
#  trans-omega constraint for residue 19
 &rst iat=279,277,275,265, &end
#
#  trans-omega constraint for residue 20
 &rst iat=303,301,299,279, &end
#
#  trans-omega constraint for residue 21
 &rst iat=325,323,321,303, &end
#
#  trans-omega constraint for residue 22
 &rst iat=344,342,340,325, &end
#
#  trans-omega constraint for residue 23
 &rst iat=361,359,357,344, &end
#
#  trans-omega constraint for residue 24
 &rst iat=371,369,367,361, &end
#
#  trans-omega constraint for residue 25
 &rst iat=388,386,384,371, &end
#
#  trans-omega constraint for residue 26
 &rst iat=407,405,403,388, &end
#
#  trans-omega constraint for residue 27
 &rst iat=418,416,414,407, &end
#
#  trans-omega constraint for residue 28
 &rst iat=440,438,436,418, &end
#
#  trans-omega constraint for residue 29
 &rst iat=457,455,453,440, &end
#
#  trans-omega constraint for residue 30
 &rst iat=471,469,467,457, &end
#
#  trans-omega constraint for residue 31
 &rst iat=478,476,474,471, &end
#
#  trans-omega constraint for residue 32
 &rst iat=493,491,489,478, &end
#
#  trans-omega constraint for residue 33
 &rst iat=523,513,511,493, &end
#
#  trans-omega constraint for residue 34
 &rst iat=529,527,525,523, &end
#
#  trans-omega constraint for residue 35
 &rst iat=557,547,545,529, &end
#
#  trans-omega constraint for residue 36
 &rst iat=563,561,559,557, &end
#
#  trans-omega constraint for residue 37
 &rst iat=573,571,569,563, &end
#
#  trans-omega constraint for residue 38
 &rst iat=595,593,591,573, &end
#
#  trans-omega constraint for residue 39
 &rst iat=610,608,606,595, &end
#
#  trans-omega constraint for residue 40
 &rst iat=625,623,621,610, &end
#
#  trans-omega constraint for residue 41
 &rst iat=632,630,628,625, &end
#
#  trans-omega constraint for residue 42
 &rst iat=642,640,638,632, &end
#
#  trans-omega constraint for residue 43
 &rst iat=657,655,653,642, &end
#
#  trans-omega constraint for residue 44
 &rst iat=679,677,675,657, &end
#
#  trans-omega constraint for residue 45
 &rst iat=686,684,682,679, &end
#
#  trans-omega constraint for residue 46
 &rst iat=706,704,702,686, &end
#
#  trans-omega constraint for residue 47
 &rst iat=720,718,716,706, &end
#
#  trans-omega constraint for residue 48
 &rst iat=731,729,727,720, &end
#
#  trans-omega constraint for residue 49
 &rst iat=750,748,746,731, &end
#
#  trans-omega constraint for residue 50
 &rst iat=767,765,763,750, &end
#
#  trans-omega constraint for residue 51
 &rst iat=785,783,781,767, &end
#
#  trans-omega constraint for residue 52
 &rst iat=804,802,800,785, &end
#
#  trans-omega constraint for residue 53
 &rst iat=818,816,814,804, &end
#
#  trans-omega constraint for residue 54
 &rst iat=842,840,838,818, &end
#
#  trans-omega constraint for residue 55
 &rst iat=859,857,855,842, &end
#
#  trans-omega constraint for residue 56
 &rst iat=870,868,866,859, &end
#
#  trans-omega constraint for residue 57
 &rst iat=889,887,885,870, &end
#
#  trans-omega constraint for residue 58
 &rst iat=903,901,899,889, &end
#
#  trans-omega constraint for residue 59
 &rst iat=920,918,916,903, &end
#
#  trans-omega constraint for residue 60
 &rst iat=934,932,930,920, &end
#
#  trans-omega constraint for residue 61
 &rst iat=941,939,937,934, &end
#
#  trans-omega constraint for residue 62
 &rst iat=956,954,952,941, &end
#
#  trans-omega constraint for residue 63
 &rst iat=978,976,974,956, &end
#
#  trans-omega constraint for residue 64
 &rst iat=992,990,988,978, &end
#
#  trans-omega constraint for residue 65
 &rst iat=1012,1010,1008,992, &end
#
#  trans-omega constraint for residue 66
 &rst iat=1026,1024,1022,1012, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1036,1034,1032,1026, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1048,1046,1044,1036, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1059,1057,1055,1048, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1071,1069,1067,1059, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1078,1076,1074,1071, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1088,1086,1084,1078, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1100,1098,1096,1088, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1119,1117,1115,1100, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1143,1141,1139,1119, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1163,1161,1159,1143, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1177,1175,1173,1163, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1191,1189,1187,1177, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1213,1211,1209,1191, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1223,1221,1219,1213, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1237,1235,1233,1223, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1256,1254,1252,1237, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1278,1276,1274,1256, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1300,1298,1296,1278, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1317,1315,1313,1300, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1337,1335,1333,1317, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1351,1349,1347,1337, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1375,1373,1371,1351, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1395,1393,1391,1375, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1412,1410,1408,1395, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1426,1424,1422,1412, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1445,1443,1441,1426, &end
# 2416 atoms read from pdb file hip.complex.pdb.
# 96 THY GAMMA:  (96 DT5 O5') - (96 DT5 C5') - (96 DT5 C4') - (96 DT5 C3')  20.0 120.0
 &rst     iat =  1469,  1470,  1473,  1492,
	  r1 =  10.0, r2 =  20.0, r3 = 120.0, r4 = 130.0,	&end

# 96 THY EPSLN:  (96 DT5 C4') - (96 DT5 C3') - (96 DT5 O3') - (97 DT P) -220.0 -120.0
 &rst     iat =  1473,  1492,  1497,  1498,
	  r1 = -230.0, r2 = -220.0, r3 = -120.0, r4 = -110.0,
	  rk2 =  32.0, rk3 =  32.0,				&end

# 96 THY ZETA:  (96 DT5 C3') - (96 DT5 O3') - (97 DT P) - (97 DT O5') -150.0 -50.0
 &rst     iat =  1492,  1497,  1498,  1501,
	  r1 = -160.0, r2 = -150.0, r3 = -50.0, r4 = -40.0,	&end

# 97 THY ALPHA:  (96 DT5 O3') - (97 DT P) - (97 DT O5') - (97 DT C5') -115.0 -15.0
 &rst     iat =  1497,  1498,  1501,  1502,
	  r1 = -125.0, r2 = -115.0, r3 = -15.0, r4 =  -5.0,	&end

# 97 THY BETA:  (97 DT P) - (97 DT O5') - (97 DT C5') - (97 DT C4') 125.0 225.0
 &rst     iat =  1498,  1501,  1502,  1505,
	  r1 = 115.0, r2 = 125.0, r3 = 225.0, r4 = 235.0,	&end

# 97 THY GAMMA:  (97 DT O5') - (97 DT C5') - (97 DT C4') - (97 DT C3')  20.0 120.0
 &rst     iat =  1501,  1502,  1505,  1524,
	  r1 =  10.0, r2 =  20.0, r3 = 120.0, r4 = 130.0,	&end

# 97 THY EPSLN:  (97 DT C4') - (97 DT C3') - (97 DT O3') - (98 DG P) -220.0 -120.0
 &rst     iat =  1505,  1524,  1529,  1530,
	  r1 = -230.0, r2 = -220.0, r3 = -120.0, r4 = -110.0,	&end

# 97 THY ZETA:  (97 DT C3') - (97 DT O3') - (98 DG P) - (98 DG O5') -150.0 -50.0
 &rst     iat =  1524,  1529,  1530,  1533,
	  r1 = -160.0, r2 = -150.0, r3 = -50.0, r4 = -40.0,	&end

# 98 GUA ALPHA:  (97 DT O3') - (98 DG P) - (98 DG O5') - (98 DG C5') -115.0 -15.0
 &rst     iat =  1529,  1530,  1533,  1534,
	  r1 = -125.0, r2 = -115.0, r3 = -15.0, r4 =  -5.0,	&end

# 98 GUA BETA:  (98 DG P) - (98 DG O5') - (98 DG C5') - (98 DG C4') 125.0 225.0
 &rst     iat =  1530,  1533,  1534,  1537,
	  r1 = 115.0, r2 = 125.0, r3 = 225.0, r4 = 235.0,	&end

# 98 GUA GAMMA:  (98 DG O5') - (98 DG C5') - (98 DG C4') - (98 DG C3')  20.0 120.0
 &rst     iat =  1533,  1534,  1537,  1557,
	  r1 =  10.0, r2 =  20.0, r3 = 120.0, r4 = 130.0,	&end

# 98 GUA EPSLN:  (98 DG C4') - (98 DG C3') - (98 DG O3') - (99 DG P) -220.0 -120.0
 &rst     iat =  1537,  1557,  1562,  1563,
	  r1 = -230.0, r2 = -220.0, r3 = -120.0, r4 = -110.0,	&end

# 98 GUA ZETA:  (98 DG C3') - (98 DG O3') - (99 DG P) - (99 DG O5') -150.0 -50.0
 &rst     iat =  1557,  1562,  1563,  1566,
	  r1 = -160.0, r2 = -150.0, r3 = -50.0, r4 = -40.0,	&end

# 99 GUA ALPHA:  (98 DG O3') - (99 DG P) - (99 DG O5') - (99 DG C5') -115.0 -15.0
 &rst     iat =  1562,  1563,  1566,  1567,
	  r1 = -125.0, r2 = -115.0, r3 = -15.0, r4 =  -5.0,	&end

# 99 GUA BETA:  (99 DG P) - (99 DG O5') - (99 DG C5') - (99 DG C4') 125.0 225.0
 &rst     iat =  1563,  1566,  1567,  1570,
	  r1 = 115.0, r2 = 125.0, r3 = 225.0, r4 = 235.0,	&end

# 99 GUA GAMMA:  (99 DG O5') - (99 DG C5') - (99 DG C4') - (99 DG C3')  20.0 120.0
 &rst     iat =  1566,  1567,  1570,  1590,
	  r1 =  10.0, r2 =  20.0, r3 = 120.0, r4 = 130.0,	&end

# 99 GUA EPSLN:  (99 DG C4') - (99 DG C3') - (99 DG O3') - (100 DA P) -220.0 -120.0
 &rst     iat =  1570,  1590,  1595,  1596,
	  r1 = -230.0, r2 = -220.0, r3 = -120.0, r4 = -110.0,	&end

# 99 GUA ZETA:  (99 DG C3') - (99 DG O3') - (100 DA P) - (100 DA O5') -150.0 -50.0
 &rst     iat =  1590,  1595,  1596,  1599,
	  r1 = -160.0, r2 = -150.0, r3 = -50.0, r4 = -40.0,	&end

# 100 ADE ALPHA:  (99 DG O3') - (100 DA P) - (100 DA O5') - (100 DA C5') -115.0 -15.0
 &rst     iat =  1595,  1596,  1599,  1600,
	  r1 = -125.0, r2 = -115.0, r3 = -15.0, r4 =  -5.0,	&end

# 100 ADE BETA:  (100 DA P) - (100 DA O5') - (100 DA C5') - (100 DA C4') 125.0 225.0
 &rst     iat =  1596,  1599,  1600,  1603,
	  r1 = 115.0, r2 = 125.0, r3 = 225.0, r4 = 235.0,	&end

# 100 ADE GAMMA:  (100 DA O5') - (100 DA C5') - (100 DA C4') - (100 DA C3')  20.0 120.0
 &rst     iat =  1599,  1600,  1603,  1622,
	  r1 =  10.0, r2 =  20.0, r3 = 120.0, r4 = 130.0,	&end

# 100 ADE EPSLN:  (100 DA C4') - (100 DA C3') - (100 DA O3') - (101 DT P) -220.0 -120.0
 &rst     iat =  1603,  1622,  1627,  1628,
	  r1 = -230.0, r2 = -220.0, r3 = -120.0, r4 = -110.0,	&end

# 100 ADE ZETA:  (100 DA C3') - (100 DA O3') - (101 DT P) - (101 DT O5') -150.0 -50.0
 &rst     iat =  1622,  1627,  1628,  1631,
	  r1 = -160.0, r2 = -150.0, r3 = -50.0, r4 = -40.0,	&end

# 101 THY ALPHA:  (100 DA O3') - (101 DT P) - (101 DT O5') - (101 DT C5') -115.0 -15.0
 &rst     iat =  1627,  1628,  1631,  1632,
	  r1 = -125.0, r2 = -115.0, r3 = -15.0, r4 =  -5.0,	&end

# 101 THY BETA:  (101 DT P) - (101 DT O5') - (101 DT C5') - (101 DT C4') 125.0 225.0
 &rst     iat =  1628,  1631,  1632,  1635,
	  r1 = 115.0, r2 = 125.0, r3 = 225.0, r4 = 235.0,	&end

# 101 THY GAMMA:  (101 DT O5') - (101 DT C5') - (101 DT C4') - (101 DT C3')  20.0 120.0
 &rst     iat =  1631,  1632,  1635,  1654,
	  r1 =  10.0, r2 =  20.0, r3 = 120.0, r4 = 130.0,	&end

# 101 THY EPSLN:  (101 DT C4') - (101 DT C3') - (101 DT O3') - (102 DG P) -220.0 -120.0
 &rst     iat =  1635,  1654,  1659,  1660,
	  r1 = -230.0, r2 = -220.0, r3 = -120.0, r4 = -110.0,	&end

# 101 THY ZETA:  (101 DT C3') - (101 DT O3') - (102 DG P) - (102 DG O5') -150.0 -50.0
 &rst     iat =  1654,  1659,  1660,  1663,
	  r1 = -160.0, r2 = -150.0, r3 = -50.0, r4 = -40.0,	&end

# 102 GUA ALPHA:  (101 DT O3') - (102 DG P) - (102 DG O5') - (102 DG C5') -115.0 -15.0
 &rst     iat =  1659,  1660,  1663,  1664,
	  r1 = -125.0, r2 = -115.0, r3 = -15.0, r4 =  -5.0,	&end

# 102 GUA BETA:  (102 DG P) - (102 DG O5') - (102 DG C5') - (102 DG C4') 125.0 225.0
 &rst     iat =  1660,  1663,  1664,  1667,
	  r1 = 115.0, r2 = 125.0, r3 = 225.0, r4 = 235.0,	&end

# 102 GUA GAMMA:  (102 DG O5') - (102 DG C5') - (102 DG C4') - (102 DG C3')  20.0 120.0
 &rst     iat =  1663,  1664,  1667,  1687,
	  r1 =  10.0, r2 =  20.0, r3 = 120.0, r4 = 130.0,	&end

# 102 GUA EPSLN:  (102 DG C4') - (102 DG C3') - (102 DG O3') - (103 DG P) -220.0 -120.0
 &rst     iat =  1667,  1687,  1692,  1693,
	  r1 = -230.0, r2 = -220.0, r3 = -120.0, r4 = -110.0,	&end

# 102 GUA ZETA:  (102 DG C3') - (102 DG O3') - (103 DG P) - (103 DG O5') -150.0 -50.0
 &rst     iat =  1687,  1692,  1693,  1696,
	  r1 = -160.0, r2 = -150.0, r3 = -50.0, r4 = -40.0,	&end

# 103 GUA ALPHA:  (102 DG O3') - (103 DG P) - (103 DG O5') - (103 DG C5') -115.0 -15.0
 &rst     iat =  1692,  1693,  1696,  1697,
	  r1 = -125.0, r2 = -115.0, r3 = -15.0, r4 =  -5.0,	&end

# 103 GUA BETA:  (103 DG P) - (103 DG O5') - (103 DG C5') - (103 DG C4') 125.0 225.0
 &rst     iat =  1693,  1696,  1697,  1700,
	  r1 = 115.0, r2 = 125.0, r3 = 225.0, r4 = 235.0,	&end

# 103 GUA GAMMA:  (103 DG O5') - (103 DG C5') - (103 DG C4') - (103 DG C3')  20.0 120.0
 &rst     iat =  1696,  1697,  1700,  1720,
	  r1 =  10.0, r2 =  20.0, r3 = 120.0, r4 = 130.0,	&end

# 103 GUA EPSLN:  (103 DG C4') - (103 DG C3') - (103 DG O3') - (104 DG P) -220.0 -120.0
 &rst     iat =  1700,  1720,  1725,  1726,
	  r1 = -230.0, r2 = -220.0, r3 = -120.0, r4 = -110.0,	&end

# 103 GUA ZETA:  (103 DG C3') - (103 DG O3') - (104 DG P) - (104 DG O5') -150.0 -50.0
 &rst     iat =  1720,  1725,  1726,  1729,
	  r1 = -160.0, r2 = -150.0, r3 = -50.0, r4 = -40.0,	&end

# 104 GUA ALPHA:  (103 DG O3') - (104 DG P) - (104 DG O5') - (104 DG C5') -115.0 -15.0
 &rst     iat =  1725,  1726,  1729,  1730,
	  r1 = -125.0, r2 = -115.0, r3 = -15.0, r4 =  -5.0,	&end

# 104 GUA BETA:  (104 DG P) - (104 DG O5') - (104 DG C5') - (104 DG C4') 125.0 225.0
 &rst     iat =  1726,  1729,  1730,  1733,
	  r1 = 115.0, r2 = 125.0, r3 = 225.0, r4 = 235.0,	&end

# 104 GUA GAMMA:  (104 DG O5') - (104 DG C5') - (104 DG C4') - (104 DG C3')  20.0 120.0
 &rst     iat =  1729,  1730,  1733,  1753,
	  r1 =  10.0, r2 =  20.0, r3 = 120.0, r4 = 130.0,	&end

# 104 GUA EPSLN:  (104 DG C4') - (104 DG C3') - (104 DG O3') - (105 DA P) -220.0 -120.0
 &rst     iat =  1733,  1753,  1758,  1759,
	  r1 = -230.0, r2 = -220.0, r3 = -120.0, r4 = -110.0,	&end

# 104 GUA ZETA:  (104 DG C3') - (104 DG O3') - (105 DA P) - (105 DA O5') -150.0 -50.0
 &rst     iat =  1753,  1758,  1759,  1762,
	  r1 = -160.0, r2 = -150.0, r3 = -50.0, r4 = -40.0,	&end

# 105 ADE ALPHA:  (104 DG O3') - (105 DA P) - (105 DA O5') - (105 DA C5') -115.0 -15.0
 &rst     iat =  1758,  1759,  1762,  1763,
	  r1 = -125.0, r2 = -115.0, r3 = -15.0, r4 =  -5.0,	&end

# 105 ADE BETA:  (105 DA P) - (105 DA O5') - (105 DA C5') - (105 DA C4') 125.0 225.0
 &rst     iat =  1759,  1762,  1763,  1766,
	  r1 = 115.0, r2 = 125.0, r3 = 225.0, r4 = 235.0,	&end

# 105 ADE GAMMA:  (105 DA O5') - (105 DA C5') - (105 DA C4') - (105 DA C3')  20.0 120.0
 &rst     iat =  1762,  1763,  1766,  1785,
	  r1 =  10.0, r2 =  20.0, r3 = 120.0, r4 = 130.0,	&end

# 105 ADE EPSLN:  (105 DA C4') - (105 DA C3') - (105 DA O3') - (106 DG P) -220.0 -120.0
 &rst     iat =  1766,  1785,  1790,  1791,
	  r1 = -230.0, r2 = -220.0, r3 = -120.0, r4 = -110.0,	&end

# 105 ADE ZETA:  (105 DA C3') - (105 DA O3') - (106 DG P) - (106 DG O5') -150.0 -50.0
 &rst     iat =  1785,  1790,  1791,  1794,
	  r1 = -160.0, r2 = -150.0, r3 = -50.0, r4 = -40.0,	&end

# 106 GUA ALPHA:  (105 DA O3') - (106 DG P) - (106 DG O5') - (106 DG C5') -115.0 -15.0
 &rst     iat =  1790,  1791,  1794,  1795,
	  r1 = -125.0, r2 = -115.0, r3 = -15.0, r4 =  -5.0,	&end

# 106 GUA BETA:  (106 DG P) - (106 DG O5') - (106 DG C5') - (106 DG C4') 125.0 225.0
 &rst     iat =  1791,  1794,  1795,  1798,
	  r1 = 115.0, r2 = 125.0, r3 = 225.0, r4 = 235.0,	&end

# 106 GUA GAMMA:  (106 DG O5') - (106 DG C5') - (106 DG C4') - (106 DG C3')  20.0 120.0
 &rst     iat =  1794,  1795,  1798,  1818,
	  r1 =  10.0, r2 =  20.0, r3 = 120.0, r4 = 130.0,	&end

# 106 GUA EPSLN:  (106 DG C4') - (106 DG C3') - (106 DG O3') - (107 DA P) -220.0 -120.0
 &rst     iat =  1798,  1818,  1823,  1824,
	  r1 = -230.0, r2 = -220.0, r3 = -120.0, r4 = -110.0,	&end

# 106 GUA ZETA:  (106 DG C3') - (106 DG O3') - (107 DA P) - (107 DA O5') -150.0 -50.0
 &rst     iat =  1818,  1823,  1824,  1827,
	  r1 = -160.0, r2 = -150.0, r3 = -50.0, r4 = -40.0,	&end

# 107 ADE ALPHA:  (106 DG O3') - (107 DA P) - (107 DA O5') - (107 DA C5') -115.0 -15.0
 &rst     iat =  1823,  1824,  1827,  1828,
	  r1 = -125.0, r2 = -115.0, r3 = -15.0, r4 =  -5.0,	&end

# 107 ADE BETA:  (107 DA P) - (107 DA O5') - (107 DA C5') - (107 DA C4') 125.0 225.0
 &rst     iat =  1824,  1827,  1828,  1831,
	  r1 = 115.0, r2 = 125.0, r3 = 225.0, r4 = 235.0,	&end

# 107 ADE GAMMA:  (107 DA O5') - (107 DA C5') - (107 DA C4') - (107 DA C3')  20.0 120.0
 &rst     iat =  1827,  1828,  1831,  1850,
	  r1 =  10.0, r2 =  20.0, r3 = 120.0, r4 = 130.0,	&end

# 107 ADE EPSLN:  (107 DA C4') - (107 DA C3') - (107 DA O3') - (108 DC P) -220.0 -120.0
 &rst     iat =  1831,  1850,  1855,  1856,
	  r1 = -230.0, r2 = -220.0, r3 = -120.0, r4 = -110.0,	&end

# 107 ADE ZETA:  (107 DA C3') - (107 DA O3') - (108 DC P) - (108 DC O5') -150.0 -50.0
 &rst     iat =  1850,  1855,  1856,  1859,
	  r1 = -160.0, r2 = -150.0, r3 = -50.0, r4 = -40.0,	&end

# 108 CYT ALPHA:  (107 DA O3') - (108 DC P) - (108 DC O5') - (108 DC C5') -115.0 -15.0
 &rst     iat =  1855,  1856,  1859,  1860,
	  r1 = -125.0, r2 = -115.0, r3 = -15.0, r4 =  -5.0,	&end

# 108 CYT BETA:  (108 DC P) - (108 DC O5') - (108 DC C5') - (108 DC C4') 125.0 225.0
 &rst     iat =  1856,  1859,  1860,  1863,
	  r1 = 115.0, r2 = 125.0, r3 = 225.0, r4 = 235.0,	&end

# 108 CYT GAMMA:  (108 DC O5') - (108 DC C5') - (108 DC C4') - (108 DC C3')  20.0 120.0
 &rst     iat =  1859,  1860,  1863,  1880,
	  r1 =  10.0, r2 =  20.0, r3 = 120.0, r4 = 130.0,	&end

# 108 CYT EPSLN:  (108 DC C4') - (108 DC C3') - (108 DC O3') - (109 DC P) -220.0 -120.0
 &rst     iat =  1863,  1880,  1885,  1886,
	  r1 = -230.0, r2 = -220.0, r3 = -120.0, r4 = -110.0,	&end

# 108 CYT ZETA:  (108 DC C3') - (108 DC O3') - (109 DC P) - (109 DC O5') -150.0 -50.0
 &rst     iat =  1880,  1885,  1886,  1889,
	  r1 = -160.0, r2 = -150.0, r3 = -50.0, r4 = -40.0,	&end

# 109 CYT ALPHA:  (108 DC O3') - (109 DC P) - (109 DC O5') - (109 DC C5') -115.0 -15.0
 &rst     iat =  1885,  1886,  1889,  1890,
	  r1 = -125.0, r2 = -115.0, r3 = -15.0, r4 =  -5.0,	&end

# 109 CYT BETA:  (109 DC P) - (109 DC O5') - (109 DC C5') - (109 DC C4') 125.0 225.0
 &rst     iat =  1886,  1889,  1890,  1893,
	  r1 = 115.0, r2 = 125.0, r3 = 225.0, r4 = 235.0,	&end

# 109 CYT GAMMA:  (109 DC O5') - (109 DC C5') - (109 DC C4') - (109 DC C3')  20.0 120.0
 &rst     iat =  1889,  1890,  1893,  1910,
	  r1 =  10.0, r2 =  20.0, r3 = 120.0, r4 = 130.0,	&end

# 109 CYT EPSLN:  (109 DC C4') - (109 DC C3') - (109 DC O3') - (110 DG3 P) -220.0 -120.0
 &rst     iat =  1893,  1910,  1915,  1916,
	  r1 = -230.0, r2 = -220.0, r3 = -120.0, r4 = -110.0,	&end

# 109 CYT ZETA:  (109 DC C3') - (109 DC O3') - (110 DG3 P) - (110 DG3 O5') -150.0 -50.0
 &rst     iat =  1910,  1915,  1916,  1919,
	  r1 = -160.0, r2 = -150.0, r3 = -50.0, r4 = -40.0,	&end

# 110 GUA ALPHA:  (109 DC O3') - (110 DG3 P) - (110 DG3 O5') - (110 DG3 C5') -115.0 -15.0
 &rst     iat =  1915,  1916,  1919,  1920,
	  r1 = -125.0, r2 = -115.0, r3 = -15.0, r4 =  -5.0,	&end

# 110 GUA BETA:  (110 DG3 P) - (110 DG3 O5') - (110 DG3 C5') - (110 DG3 C4') 125.0 225.0
 &rst     iat =  1916,  1919,  1920,  1923,
	  r1 = 115.0, r2 = 125.0, r3 = 225.0, r4 = 235.0,	&end

# 110 GUA GAMMA:  (110 DG3 O5') - (110 DG3 C5') - (110 DG3 C4') - (110 DG3 C3')  20.0 120.0
 &rst     iat =  1919,  1920,  1923,  1943,
	  r1 =  10.0, r2 =  20.0, r3 = 120.0, r4 = 130.0,	&end

# 111 CYT GAMMA:  (111 DC5 O5') - (111 DC5 C5') - (111 DC5 C4') - (111 DC5 C3')  20.0 120.0
 &rst     iat =  1951,  1952,  1955,  1972,
	  r1 =  10.0, r2 =  20.0, r3 = 120.0, r4 = 130.0,	&end

# 111 CYT EPSLN:  (111 DC5 C4') - (111 DC5 C3') - (111 DC5 O3') - (112 DG P) -220.0 -120.0
 &rst     iat =  1955,  1972,  1977,  1978,
	  r1 = -230.0, r2 = -220.0, r3 = -120.0, r4 = -110.0,	&end

# 111 CYT ZETA:  (111 DC5 C3') - (111 DC5 O3') - (112 DG P) - (112 DG O5') -150.0 -50.0
 &rst     iat =  1972,  1977,  1978,  1981,
	  r1 = -160.0, r2 = -150.0, r3 = -50.0, r4 = -40.0,	&end

# 112 GUA ALPHA:  (111 DC5 O3') - (112 DG P) - (112 DG O5') - (112 DG C5') -115.0 -15.0
 &rst     iat =  1977,  1978,  1981,  1982,
	  r1 = -125.0, r2 = -115.0, r3 = -15.0, r4 =  -5.0,	&end

# 112 GUA BETA:  (112 DG P) - (112 DG O5') - (112 DG C5') - (112 DG C4') 125.0 225.0
 &rst     iat =  1978,  1981,  1982,  1985,
	  r1 = 115.0, r2 = 125.0, r3 = 225.0, r4 = 235.0,	&end

# 112 GUA GAMMA:  (112 DG O5') - (112 DG C5') - (112 DG C4') - (112 DG C3')  20.0 120.0
 &rst     iat =  1981,  1982,  1985,  2005,
	  r1 =  10.0, r2 =  20.0, r3 = 120.0, r4 = 130.0,	&end

# 112 GUA EPSLN:  (112 DG C4') - (112 DG C3') - (112 DG O3') - (113 DG P) -220.0 -120.0
 &rst     iat =  1985,  2005,  2010,  2011,
	  r1 = -230.0, r2 = -220.0, r3 = -120.0, r4 = -110.0,	&end

# 112 GUA ZETA:  (112 DG C3') - (112 DG O3') - (113 DG P) - (113 DG O5') -150.0 -50.0
 &rst     iat =  2005,  2010,  2011,  2014,
	  r1 = -160.0, r2 = -150.0, r3 = -50.0, r4 = -40.0,	&end

# 113 GUA ALPHA:  (112 DG O3') - (113 DG P) - (113 DG O5') - (113 DG C5') -115.0 -15.0
 &rst     iat =  2010,  2011,  2014,  2015,
	  r1 = -125.0, r2 = -115.0, r3 = -15.0, r4 =  -5.0,	&end

# 113 GUA BETA:  (113 DG P) - (113 DG O5') - (113 DG C5') - (113 DG C4') 125.0 225.0
 &rst     iat =  2011,  2014,  2015,  2018,
	  r1 = 115.0, r2 = 125.0, r3 = 225.0, r4 = 235.0,	&end

# 113 GUA GAMMA:  (113 DG O5') - (113 DG C5') - (113 DG C4') - (113 DG C3')  20.0 120.0
 &rst     iat =  2014,  2015,  2018,  2038,
	  r1 =  10.0, r2 =  20.0, r3 = 120.0, r4 = 130.0,	&end

# 113 GUA EPSLN:  (113 DG C4') - (113 DG C3') - (113 DG O3') - (114 DT P) -220.0 -120.0
 &rst     iat =  2018,  2038,  2043,  2044,
	  r1 = -230.0, r2 = -220.0, r3 = -120.0, r4 = -110.0,	&end

# 113 GUA ZETA:  (113 DG C3') - (113 DG O3') - (114 DT P) - (114 DT O5') -150.0 -50.0
 &rst     iat =  2038,  2043,  2044,  2047,
	  r1 = -160.0, r2 = -150.0, r3 = -50.0, r4 = -40.0,	&end

# 114 THY ALPHA:  (113 DG O3') - (114 DT P) - (114 DT O5') - (114 DT C5') -115.0 -15.0
 &rst     iat =  2043,  2044,  2047,  2048,
	  r1 = -125.0, r2 = -115.0, r3 = -15.0, r4 =  -5.0,	&end

# 114 THY BETA:  (114 DT P) - (114 DT O5') - (114 DT C5') - (114 DT C4') 125.0 225.0
 &rst     iat =  2044,  2047,  2048,  2051,
	  r1 = 115.0, r2 = 125.0, r3 = 225.0, r4 = 235.0,	&end

# 114 THY GAMMA:  (114 DT O5') - (114 DT C5') - (114 DT C4') - (114 DT C3')  20.0 120.0
 &rst     iat =  2047,  2048,  2051,  2070,
	  r1 =  10.0, r2 =  20.0, r3 = 120.0, r4 = 130.0,	&end

# 114 THY EPSLN:  (114 DT C4') - (114 DT C3') - (114 DT O3') - (115 DC P) -220.0 -120.0
 &rst     iat =  2051,  2070,  2075,  2076,
	  r1 = -230.0, r2 = -220.0, r3 = -120.0, r4 = -110.0,	&end

# 114 THY ZETA:  (114 DT C3') - (114 DT O3') - (115 DC P) - (115 DC O5') -150.0 -50.0
 &rst     iat =  2070,  2075,  2076,  2079,
	  r1 = -160.0, r2 = -150.0, r3 = -50.0, r4 = -40.0,	&end

# 115 CYT ALPHA:  (114 DT O3') - (115 DC P) - (115 DC O5') - (115 DC C5') -115.0 -15.0
 &rst     iat =  2075,  2076,  2079,  2080,
	  r1 = -125.0, r2 = -115.0, r3 = -15.0, r4 =  -5.0,	&end

# 115 CYT BETA:  (115 DC P) - (115 DC O5') - (115 DC C5') - (115 DC C4') 125.0 225.0
 &rst     iat =  2076,  2079,  2080,  2083,
	  r1 = 115.0, r2 = 125.0, r3 = 225.0, r4 = 235.0,	&end

# 115 CYT GAMMA:  (115 DC O5') - (115 DC C5') - (115 DC C4') - (115 DC C3')  20.0 120.0
 &rst     iat =  2079,  2080,  2083,  2100,
	  r1 =  10.0, r2 =  20.0, r3 = 120.0, r4 = 130.0,	&end

# 115 CYT EPSLN:  (115 DC C4') - (115 DC C3') - (115 DC O3') - (116 DT P) -220.0 -120.0
 &rst     iat =  2083,  2100,  2105,  2106,
	  r1 = -230.0, r2 = -220.0, r3 = -120.0, r4 = -110.0,	&end

# 115 CYT ZETA:  (115 DC C3') - (115 DC O3') - (116 DT P) - (116 DT O5') -150.0 -50.0
 &rst     iat =  2100,  2105,  2106,  2109,
	  r1 = -160.0, r2 = -150.0, r3 = -50.0, r4 = -40.0,	&end

# 116 THY ALPHA:  (115 DC O3') - (116 DT P) - (116 DT O5') - (116 DT C5') -115.0 -15.0
 &rst     iat =  2105,  2106,  2109,  2110,
	  r1 = -125.0, r2 = -115.0, r3 = -15.0, r4 =  -5.0,	&end

# 116 THY BETA:  (116 DT P) - (116 DT O5') - (116 DT C5') - (116 DT C4') 125.0 225.0
 &rst     iat =  2106,  2109,  2110,  2113,
	  r1 = 115.0, r2 = 125.0, r3 = 225.0, r4 = 235.0,	&end

# 116 THY GAMMA:  (116 DT O5') - (116 DT C5') - (116 DT C4') - (116 DT C3')  20.0 120.0
 &rst     iat =  2109,  2110,  2113,  2132,
	  r1 =  10.0, r2 =  20.0, r3 = 120.0, r4 = 130.0,	&end

# 116 THY EPSLN:  (116 DT C4') - (116 DT C3') - (116 DT O3') - (117 DC P) -220.0 -120.0
 &rst     iat =  2113,  2132,  2137,  2138,
	  r1 = -230.0, r2 = -220.0, r3 = -120.0, r4 = -110.0,	&end

# 116 THY ZETA:  (116 DT C3') - (116 DT O3') - (117 DC P) - (117 DC O5') -150.0 -50.0
 &rst     iat =  2132,  2137,  2138,  2141,
	  r1 = -160.0, r2 = -150.0, r3 = -50.0, r4 = -40.0,	&end

# 117 CYT ALPHA:  (116 DT O3') - (117 DC P) - (117 DC O5') - (117 DC C5') -115.0 -15.0
 &rst     iat =  2137,  2138,  2141,  2142,
	  r1 = -125.0, r2 = -115.0, r3 = -15.0, r4 =  -5.0,	&end

# 117 CYT BETA:  (117 DC P) - (117 DC O5') - (117 DC C5') - (117 DC C4') 125.0 225.0
 &rst     iat =  2138,  2141,  2142,  2145,
	  r1 = 115.0, r2 = 125.0, r3 = 225.0, r4 = 235.0,	&end

# 117 CYT GAMMA:  (117 DC O5') - (117 DC C5') - (117 DC C4') - (117 DC C3')  20.0 120.0
 &rst     iat =  2141,  2142,  2145,  2162,
	  r1 =  10.0, r2 =  20.0, r3 = 120.0, r4 = 130.0,	&end

# 117 CYT EPSLN:  (117 DC C4') - (117 DC C3') - (117 DC O3') - (118 DC P) -220.0 -120.0
 &rst     iat =  2145,  2162,  2167,  2168,
	  r1 = -230.0, r2 = -220.0, r3 = -120.0, r4 = -110.0,	&end

# 117 CYT ZETA:  (117 DC C3') - (117 DC O3') - (118 DC P) - (118 DC O5') -150.0 -50.0
 &rst     iat =  2162,  2167,  2168,  2171,
	  r1 = -160.0, r2 = -150.0, r3 = -50.0, r4 = -40.0,	&end

# 118 CYT ALPHA:  (117 DC O3') - (118 DC P) - (118 DC O5') - (118 DC C5') -115.0 -15.0
 &rst     iat =  2167,  2168,  2171,  2172,
	  r1 = -125.0, r2 = -115.0, r3 = -15.0, r4 =  -5.0,	&end

# 118 CYT BETA:  (118 DC P) - (118 DC O5') - (118 DC C5') - (118 DC C4') 125.0 225.0
 &rst     iat =  2168,  2171,  2172,  2175,
	  r1 = 115.0, r2 = 125.0, r3 = 225.0, r4 = 235.0,	&end

# 118 CYT GAMMA:  (118 DC O5') - (118 DC C5') - (118 DC C4') - (118 DC C3')  20.0 120.0
 &rst     iat =  2171,  2172,  2175,  2192,
	  r1 =  10.0, r2 =  20.0, r3 = 120.0, r4 = 130.0,	&end

# 118 CYT EPSLN:  (118 DC C4') - (118 DC C3') - (118 DC O3') - (119 DC P) -220.0 -120.0
 &rst     iat =  2175,  2192,  2197,  2198,
	  r1 = -230.0, r2 = -220.0, r3 = -120.0, r4 = -110.0,	&end

# 118 CYT ZETA:  (118 DC C3') - (118 DC O3') - (119 DC P) - (119 DC O5') -150.0 -50.0
 &rst     iat =  2192,  2197,  2198,  2201,
	  r1 = -160.0, r2 = -150.0, r3 = -50.0, r4 = -40.0,	&end

# 119 CYT ALPHA:  (118 DC O3') - (119 DC P) - (119 DC O5') - (119 DC C5') -115.0 -15.0
 &rst     iat =  2197,  2198,  2201,  2202,
	  r1 = -125.0, r2 = -115.0, r3 = -15.0, r4 =  -5.0,	&end

# 119 CYT BETA:  (119 DC P) - (119 DC O5') - (119 DC C5') - (119 DC C4') 125.0 225.0
 &rst     iat =  2198,  2201,  2202,  2205,
	  r1 = 115.0, r2 = 125.0, r3 = 225.0, r4 = 235.0,	&end

# 119 CYT GAMMA:  (119 DC O5') - (119 DC C5') - (119 DC C4') - (119 DC C3')  20.0 120.0
 &rst     iat =  2201,  2202,  2205,  2222,
	  r1 =  10.0, r2 =  20.0, r3 = 120.0, r4 = 130.0,	&end

# 119 CYT EPSLN:  (119 DC C4') - (119 DC C3') - (119 DC O3') - (120 DA P) -220.0 -120.0
 &rst     iat =  2205,  2222,  2227,  2228,
	  r1 = -230.0, r2 = -220.0, r3 = -120.0, r4 = -110.0,	&end

# 119 CYT ZETA:  (119 DC C3') - (119 DC O3') - (120 DA P) - (120 DA O5') -150.0 -50.0
 &rst     iat =  2222,  2227,  2228,  2231,
	  r1 = -160.0, r2 = -150.0, r3 = -50.0, r4 = -40.0,	&end

# 120 ADE ALPHA:  (119 DC O3') - (120 DA P) - (120 DA O5') - (120 DA C5') -115.0 -15.0
 &rst     iat =  2227,  2228,  2231,  2232,
	  r1 = -125.0, r2 = -115.0, r3 = -15.0, r4 =  -5.0,	&end

# 120 ADE BETA:  (120 DA P) - (120 DA O5') - (120 DA C5') - (120 DA C4') 125.0 225.0
 &rst     iat =  2228,  2231,  2232,  2235,
	  r1 = 115.0, r2 = 125.0, r3 = 225.0, r4 = 235.0,	&end

# 120 ADE GAMMA:  (120 DA O5') - (120 DA C5') - (120 DA C4') - (120 DA C3')  20.0 120.0
 &rst     iat =  2231,  2232,  2235,  2254,
	  r1 =  10.0, r2 =  20.0, r3 = 120.0, r4 = 130.0,	&end

# 120 ADE EPSLN:  (120 DA C4') - (120 DA C3') - (120 DA O3') - (121 DT P) -220.0 -120.0
 &rst     iat =  2235,  2254,  2259,  2260,
	  r1 = -230.0, r2 = -220.0, r3 = -120.0, r4 = -110.0,	&end

# 120 ADE ZETA:  (120 DA C3') - (120 DA O3') - (121 DT P) - (121 DT O5') -150.0 -50.0
 &rst     iat =  2254,  2259,  2260,  2263,
	  r1 = -160.0, r2 = -150.0, r3 = -50.0, r4 = -40.0,	&end

# 121 THY ALPHA:  (120 DA O3') - (121 DT P) - (121 DT O5') - (121 DT C5') -115.0 -15.0
 &rst     iat =  2259,  2260,  2263,  2264,
	  r1 = -125.0, r2 = -115.0, r3 = -15.0, r4 =  -5.0,	&end

# 121 THY BETA:  (121 DT P) - (121 DT O5') - (121 DT C5') - (121 DT C4') 125.0 225.0
 &rst     iat =  2260,  2263,  2264,  2267,
	  r1 = 115.0, r2 = 125.0, r3 = 225.0, r4 = 235.0,	&end

# 121 THY GAMMA:  (121 DT O5') - (121 DT C5') - (121 DT C4') - (121 DT C3')  20.0 120.0
 &rst     iat =  2263,  2264,  2267,  2286,
	  r1 =  10.0, r2 =  20.0, r3 = 120.0, r4 = 130.0,	&end

# 121 THY EPSLN:  (121 DT C4') - (121 DT C3') - (121 DT O3') - (122 DC P) -220.0 -120.0
 &rst     iat =  2267,  2286,  2291,  2292,
	  r1 = -230.0, r2 = -220.0, r3 = -120.0, r4 = -110.0,	&end

# 121 THY ZETA:  (121 DT C3') - (121 DT O3') - (122 DC P) - (122 DC O5') -150.0 -50.0
 &rst     iat =  2286,  2291,  2292,  2295,
	  r1 = -160.0, r2 = -150.0, r3 = -50.0, r4 = -40.0,	&end

# 122 CYT ALPHA:  (121 DT O3') - (122 DC P) - (122 DC O5') - (122 DC C5') -115.0 -15.0
 &rst     iat =  2291,  2292,  2295,  2296,
	  r1 = -125.0, r2 = -115.0, r3 = -15.0, r4 =  -5.0,	&end

# 122 CYT BETA:  (122 DC P) - (122 DC O5') - (122 DC C5') - (122 DC C4') 125.0 225.0
 &rst     iat =  2292,  2295,  2296,  2299,
	  r1 = 115.0, r2 = 125.0, r3 = 225.0, r4 = 235.0,	&end

# 122 CYT GAMMA:  (122 DC O5') - (122 DC C5') - (122 DC C4') - (122 DC C3')  20.0 120.0
 &rst     iat =  2295,  2296,  2299,  2316,
	  r1 =  10.0, r2 =  20.0, r3 = 120.0, r4 = 130.0,	&end

# 122 CYT EPSLN:  (122 DC C4') - (122 DC C3') - (122 DC O3') - (123 DC P) -220.0 -120.0
 &rst     iat =  2299,  2316,  2321,  2322,
	  r1 = -230.0, r2 = -220.0, r3 = -120.0, r4 = -110.0,	&end

# 122 CYT ZETA:  (122 DC C3') - (122 DC O3') - (123 DC P) - (123 DC O5') -150.0 -50.0
 &rst     iat =  2316,  2321,  2322,  2325,
	  r1 = -160.0, r2 = -150.0, r3 = -50.0, r4 = -40.0,	&end

# 123 CYT ALPHA:  (122 DC O3') - (123 DC P) - (123 DC O5') - (123 DC C5') -115.0 -15.0
 &rst     iat =  2321,  2322,  2325,  2326,
	  r1 = -125.0, r2 = -115.0, r3 = -15.0, r4 =  -5.0,	&end

# 123 CYT BETA:  (123 DC P) - (123 DC O5') - (123 DC C5') - (123 DC C4') 125.0 225.0
 &rst     iat =  2322,  2325,  2326,  2329,
	  r1 = 115.0, r2 = 125.0, r3 = 225.0, r4 = 235.0,	&end

# 123 CYT GAMMA:  (123 DC O5') - (123 DC C5') - (123 DC C4') - (123 DC C3')  20.0 120.0
 &rst     iat =  2325,  2326,  2329,  2346,
	  r1 =  10.0, r2 =  20.0, r3 = 120.0, r4 = 130.0,	&end

# 123 CYT EPSLN:  (123 DC C4') - (123 DC C3') - (123 DC O3') - (124 DA P) -220.0 -120.0
 &rst     iat =  2329,  2346,  2351,  2352,
	  r1 = -230.0, r2 = -220.0, r3 = -120.0, r4 = -110.0,	&end

# 123 CYT ZETA:  (123 DC C3') - (123 DC O3') - (124 DA P) - (124 DA O5') -150.0 -50.0
 &rst     iat =  2346,  2351,  2352,  2355,
	  r1 = -160.0, r2 = -150.0, r3 = -50.0, r4 = -40.0,	&end

# 124 ADE ALPHA:  (123 DC O3') - (124 DA P) - (124 DA O5') - (124 DA C5') -115.0 -15.0
 &rst     iat =  2351,  2352,  2355,  2356,
	  r1 = -125.0, r2 = -115.0, r3 = -15.0, r4 =  -5.0,	&end

# 124 ADE BETA:  (124 DA P) - (124 DA O5') - (124 DA C5') - (124 DA C4') 125.0 225.0
 &rst     iat =  2352,  2355,  2356,  2359,
	  r1 = 115.0, r2 = 125.0, r3 = 225.0, r4 = 235.0,	&end

# 124 ADE GAMMA:  (124 DA O5') - (124 DA C5') - (124 DA C4') - (124 DA C3')  20.0 120.0
 &rst     iat =  2355,  2356,  2359,  2378,
	  r1 =  10.0, r2 =  20.0, r3 = 120.0, r4 = 130.0,	&end

# 124 ADE EPSLN:  (124 DA C4') - (124 DA C3') - (124 DA O3') - (125 DA3 P) -220.0 -120.0
 &rst     iat =  2359,  2378,  2383,  2384,
	  r1 = -230.0, r2 = -220.0, r3 = -120.0, r4 = -110.0,	&end

# 124 ADE ZETA:  (124 DA C3') - (124 DA O3') - (125 DA3 P) - (125 DA3 O5') -150.0 -50.0
 &rst     iat =  2378,  2383,  2384,  2387,
	  r1 = -160.0, r2 = -150.0, r3 = -50.0, r4 = -40.0,	&end

# 125 ADE ALPHA:  (124 DA O3') - (125 DA3 P) - (125 DA3 O5') - (125 DA3 C5') -115.0 -15.0
 &rst     iat =  2383,  2384,  2387,  2388,
	  r1 = -125.0, r2 = -115.0, r3 = -15.0, r4 =  -5.0,	&end

# 125 ADE BETA:  (125 DA3 P) - (125 DA3 O5') - (125 DA3 C5') - (125 DA3 C4') 125.0 225.0
 &rst     iat =  2384,  2387,  2388,  2391,
	  r1 = 115.0, r2 = 125.0, r3 = 225.0, r4 = 235.0,	&end

# 125 ADE GAMMA:  (125 DA3 O5') - (125 DA3 C5') - (125 DA3 C4') - (125 DA3 C3')  20.0 120.0
 &rst     iat =  2387,  2388,  2391,  2410,
	  r1 =  10.0, r2 =  20.0, r3 = 120.0, r4 = 130.0,	&end

#
#   96 DT5  N3     125 DA3  N1	2.7	3.1
 &rst iat=1488,2405, r1= 2.20, r2= 2.70, r3= 3.10, r4= 3.60, 
      rk2=50.0, rk3=50.0, ir6=1,
 &end
#
#   96 DT5  O4     125 DA3  N6	2.7	3.1
 &rst iat=1487,2402, r1= 2.20, r2= 2.70, r3= 3.10, r4= 3.60,  &end
#
#   96 DT5  H3	 125 DA3  N1	1.67	2.07
 &rst iat=1489,2405, r1= 1.17, r2= 1.67, r3= 2.07, r4= 2.57,  &end
#
#   96 DT5  O4	 125 DA3  H61	1.67	2.07
 &rst iat=1487,2403, r1= 1.17, r2= 1.67, r3= 2.07, r4= 2.57,  &end
#
#   97 DT   N3     124 DA   N1	2.7	3.1
 &rst iat=1520,2373, r1= 2.20, r2= 2.70, r3= 3.10, r4= 3.60,  &end
#
#   97 DT   O4     124 DA   N6	2.7	3.1
 &rst iat=1519,2370, r1= 2.20, r2= 2.70, r3= 3.10, r4= 3.60,  &end
#
#   97 DT   H3	 124 DA   N1	1.67	2.07
 &rst iat=1521,2373, r1= 1.17, r2= 1.67, r3= 2.07, r4= 2.57,  &end
#
#   97 DT   O4	 124 DA   H61	1.67	2.07
 &rst iat=1519,2371, r1= 1.17, r2= 1.67, r3= 2.07, r4= 2.57,  &end
#
#   98 DG   N1     123 DC   N3	2.7	3.1
 &rst iat=1549,2343, r1= 2.20, r2= 2.70, r3= 3.10, r4= 3.60,  &end
#
#   98 DG   O6     123 DC   N4	2.7	3.1
 &rst iat=1548,2340, r1= 2.20, r2= 2.70, r3= 3.10, r4= 3.60,  &end
#
#   98 DG   N2	 123 DC   O2	2.7	3.1
 &rst iat=1552,2345, r1= 2.20, r2= 2.70, r3= 3.10, r4= 3.60,  &end
#
#   98 DG   H1	 123 DC	  N3	1.67	2.07
 &rst iat=1550,2343, r1= 1.17, r2= 1.67, r3= 2.07, r4= 2.57,  &end
#
#   98 DG   H21	 123 DC	  O2	1.67	2.07
 &rst iat=1553,2345, r1= 1.17, r2= 1.67, r3= 2.07, r4= 2.57,  &end
#
#   98 DG	  O6	 123 DC	  H42	1.67	2.07
 &rst iat=1548,2342, r1= 1.17, r2= 1.67, r3= 2.07, r4= 2.57,  &end
#
#   99 DG   N1     122 DC   N3	2.7	3.1
 &rst iat=1582,2313, r1= 2.20, r2= 2.70, r3= 3.10, r4= 3.60,  &end
#
#   99 DG   O6     122 DC   N4	2.7	3.1
 &rst iat=1581,2310, r1= 2.20, r2= 2.70, r3= 3.10, r4= 3.60,  &end
#
#   99 DG   N2	 122 DC   O2    2.7	3.1
 &rst iat=1585,2315, r1= 2.20, r2= 2.70, r3= 3.10, r4= 3.60,  &end
#
#   99 DG   H1	 122 DC	  N3	1.67	2.07
 &rst iat=1583,2313, r1= 1.17, r2= 1.67, r3= 2.07, r4= 2.57,  &end
#
#   99 DG   H21	 122 DC	  O2	1.67	2.07
 &rst iat=1586,2315, r1= 1.17, r2= 1.67, r3= 2.07, r4= 2.57,  &end
#
#   99 DG	  O6	 122 DC	  H42	1.67	2.07
 &rst iat=1581,2312, r1= 1.17, r2= 1.67, r3= 2.07, r4= 2.57,  &end
#
#  100 DA   N1     121 DT   N3	2.7	3.1
 &rst iat=1617,2282, r1= 2.20, r2= 2.70, r3= 3.10, r4= 3.60,  &end
#
#  100 DA   N6     121 DT   O4	2.7	3.1
 &rst iat=1614,2281, r1= 2.20, r2= 2.70, r3= 3.10, r4= 3.60,  &end
#
#  100 DA	  N1	 121 DT	  H3	1.67	2.07
 &rst iat=1617,2283, r1= 1.17, r2= 1.67, r3= 2.07, r4= 2.57,  &end
#
#  100 DA	  H61	 121 DT   O4	1.67	2.07
 &rst iat=1615,2281, r1= 1.17, r2= 1.67, r3= 2.07, r4= 2.57,  &end
#
#  101 DT   N3     120 DA   N1	2.7	3.1
 &rst iat=1650,2249, r1= 2.20, r2= 2.70, r3= 3.10, r4= 3.60,  &end
#
#  101 DT   O4     120 DA   N6	2.7	3.1
 &rst iat=1649,2246, r1= 2.20, r2= 2.70, r3= 3.10, r4= 3.60,  &end
#
#  102 DG   N1     119 DC   N3	2.7	3.1
 &rst iat=1679,2219, r1= 2.20, r2= 2.70, r3= 3.10, r4= 3.60,  &end
#
#  102 DG   O6     119 DC   N4	2.7	3.1
 &rst iat=1678,2216, r1= 2.20, r2= 2.70, r3= 3.10, r4= 3.60,  &end
#
#  102 DG   N2	 119 DC   O2	2.7	3.1
 &rst iat=1682,2221, r1= 2.20, r2= 2.70, r3= 3.10, r4= 3.60,  &end
#
#  102 DG   H1	 119 DC	  N3	1.67	2.07
 &rst iat=1680,2219, r1= 1.17, r2= 1.67, r3= 2.07, r4= 2.57,  &end
#
#  102 DG   H21	 119 DC	  O2	1.67	2.07
 &rst iat=1683,2221, r1= 1.17, r2= 1.67, r3= 2.07, r4= 2.57,  &end
#
#  102 DG	  O6	 119 DC	  H42	1.67	2.07
 &rst iat=1678,2218, r1= 1.17, r2= 1.67, r3= 2.07, r4= 2.57,  &end
#
#  103 DG   N1     118 DC   N3	2.7	3.1
 &rst iat=1712,2189, r1= 2.20, r2= 2.70, r3= 3.10, r4= 3.60,  &end
#
#  103 DG   O6     118 DC   N4	2.7	3.1
 &rst iat=1711,2186, r1= 2.20, r2= 2.70, r3= 3.10, r4= 3.60,  &end
#
#  103 DG   N2	 118 DC   O2	2.7	3.1
 &rst iat=1715,2191, r1= 2.20, r2= 2.70, r3= 3.10, r4= 3.60,  &end
#
#  103 DG   H1	 118 DC	  N3	1.67	2.07
 &rst iat=1713,2189, r1= 1.17, r2= 1.67, r3= 2.07, r4= 2.57,  &end
#
#  103 DG   H21	 118 DC	  O2	1.67	2.07
 &rst iat=1716,2191, r1= 1.17, r2= 1.67, r3= 2.07, r4= 2.57,  &end
#
#  103 DG	  O6	 118 DC	  H42	1.67	2.07
 &rst iat=1711,2188, r1= 1.17, r2= 1.67, r3= 2.07, r4= 2.57,  &end
#
#  104 DG   N1     117 DC   N3	2.7	3.1
 &rst iat=1745,2159, r1= 2.20, r2= 2.70, r3= 3.10, r4= 3.60,  &end
#
#  104 DG   O6     117 DC   N4	2.7	3.1
 &rst iat=1744,2156, r1= 2.20, r2= 2.70, r3= 3.10, r4= 3.60,  &end
#
#  104 DG   N2	 117 DC   O2	2.7	3.1
 &rst iat=1748,2161, r1= 2.20, r2= 2.70, r3= 3.10, r4= 3.60,  &end
#
#  104 DG   H1	 117 DC	  N3	1.67	2.07
 &rst iat=1746,2159, r1= 1.17, r2= 1.67, r3= 2.07, r4= 2.57,  &end
#
#  104 DG   H21	 117 DC	  O2	1.67	2.07
 &rst iat=1749,2161, r1= 1.17, r2= 1.67, r3= 2.07, r4= 2.57,  &end
#
#  104 DG	  O6	 117 DC	  H42	1.67	2.07
 &rst iat=1744,2158, r1= 1.17, r2= 1.67, r3= 2.07, r4= 2.57,  &end
#
#  105 DA   N1     116 DT   N3	2.7	3.1
 &rst iat=1780,2128, r1= 2.20, r2= 2.70, r3= 3.10, r4= 3.60,  &end
#
#  105 DA   N6     116 DT   O4	2.7	3.1
 &rst iat=1777,2127, r1= 2.20, r2= 2.70, r3= 3.10, r4= 3.60,  &end
#
#  105 DA	  N1	 116 DT	  H3	1.67	2.07
 &rst iat=1780,2129, r1= 1.17, r2= 1.67, r3= 2.07, r4= 2.57,  &end
#
#  105 DA	  H61	 116 DT   O4	1.67	2.07
 &rst iat=1778,2127, r1= 1.17, r2= 1.67, r3= 2.07, r4= 2.57,  &end
#
#  106 DG   N1     115 DC   N3	2.7	3.1
 &rst iat=1810,2097, r1= 2.20, r2= 2.70, r3= 3.10, r4= 3.60,  &end
#
#  106 DG   O6     115 DC   N4	2.7	3.1
 &rst iat=1809,2094, r1= 2.20, r2= 2.70, r3= 3.10, r4= 3.60,  &end
#
#  106 DG   N2	 115 DC   O2	2.7	3.1
 &rst iat=1813,2099, r1= 2.20, r2= 2.70, r3= 3.10, r4= 3.60,  &end
#
#  106 DG   H1	 115 DC	  N3	1.67	2.07
 &rst iat=1811,2097, r1= 1.17, r2= 1.67, r3= 2.07, r4= 2.57,  &end
#
#  106 DG   H21	 115 DC	  O2	1.67	2.07
 &rst iat=1814,2099, r1= 1.17, r2= 1.67, r3= 2.07, r4= 2.57,  &end
#
#  106 DG	  O6	 115 DC	  H42	1.67	2.07
 &rst iat=1809,2096, r1= 1.17, r2= 1.67, r3= 2.07, r4= 2.57,  &end
#
#  107 DA   N1     114 DT   N3	2.7	3.1
 &rst iat=1845,2066, r1= 2.20, r2= 2.70, r3= 3.10, r4= 3.60,  &end
#
#  107 DA   N6     114 DT   O4	2.7	3.1
 &rst iat=1842,2065, r1= 2.20, r2= 2.70, r3= 3.10, r4= 3.60,  &end
#
#  107 DA	  N1	 114 DT	  H3	1.67	2.07
 &rst iat=1845,2067, r1= 1.17, r2= 1.67, r3= 2.07, r4= 2.57,  &end
#
#  107 DA	  H61	 114 DT   O4	1.67	2.07
 &rst iat=1843,2065, r1= 1.17, r2= 1.67, r3= 2.07, r4= 2.57,  &end
#
#  108 DC   N3     113 DG   N1	2.7	3.1
 &rst iat=1877,2030, r1= 2.20, r2= 2.70, r3= 3.10, r4= 3.60,  &end
#
#  108 DC   N4     113 DG   O6	2.7	3.1
 &rst iat=1874,2029, r1= 2.20, r2= 2.70, r3= 3.10, r4= 3.60,  &end
#
#  108 DC   O2	 113 DG   N2	2.7	3.1
 &rst iat=1879,2033, r1= 2.20, r2= 2.70, r3= 3.10, r4= 3.60,  &end
#
#  108 DC   N3	 113 DG	  H1    1.67	2.07
 &rst iat=1877,2031, r1= 1.17, r2= 1.67, r3= 2.07, r4= 2.57,  &end
#
#  108 DC   O2	 113 DG   H21	1.67	2.07
 &rst iat=1879,2034, r1= 1.17, r2= 1.67, r3= 2.07, r4= 2.57,  &end
#
#  108 DC	  H42	 113 DG	  O6	1.67	2.07
 &rst iat=1876,2029, r1= 1.17, r2= 1.67, r3= 2.07, r4= 2.57,  &end
#
#  109 DC   N3     112 DG   N1	2.7	3.1
 &rst iat=1907,1997, r1= 2.20, r2= 2.70, r3= 3.10, r4= 3.60,  &end
#
#  109 DC   N4     112 DG   O6	2.7	3.1
 &rst iat=1904,1996, r1= 2.20, r2= 2.70, r3= 3.10, r4= 3.60,  &end
#
#  109 DC   O2	 112 DG   N2	2.7	3.1
 &rst iat=1909,2000, r1= 2.20, r2= 2.70, r3= 3.10, r4= 3.60,  &end
#
#  109 DC   N3	 112 DG	  H1    1.67	2.07
 &rst iat=1907,1998, r1= 1.17, r2= 1.67, r3= 2.07, r4= 2.57,  &end
#
#  109 DC   O2	 112 DG   H21	1.67	2.07
 &rst iat=1909,2001, r1= 1.17, r2= 1.67, r3= 2.07, r4= 2.57,  &end
#
#  109 DC	  H42	 112 DG	  O6	1.67	2.07
 &rst iat=1906,1996, r1= 1.17, r2= 1.67, r3= 2.07, r4= 2.57,  &end
#
#  110 DG3  N1     111 DC5  N3	2.7	3.1
 &rst iat=1935,1969, r1= 2.20, r2= 2.70, r3= 3.10, r4= 3.60,  &end
#
#  110 DG3  O6     111 DC5  N4	2.7	3.1
 &rst iat=1934,1966, r1= 2.20, r2= 2.70, r3= 3.10, r4= 3.60,  &end
#
#  110 DG3  N2	 111 DC5  O2	2.7	3.1
 &rst iat=1938,1971, r1= 2.20, r2= 2.70, r3= 3.10, r4= 3.60,  &end
#
#  110 DG3  H1	 111 DC5  N3	1.67	2.07
 &rst iat=1936,1969, r1= 1.17, r2= 1.67, r3= 2.07, r4= 2.57,  &end
#
#  110 DG3  H21	 111 DC5  O2	1.67	2.07
 &rst iat=1939,1971, r1= 1.17, r2= 1.67, r3= 2.07, r4= 2.57,  &end
#
#  110 DG3  O6	 111 DC5  H42	1.67	2.07
 &rst iat=1934,1968, r1= 1.17, r2= 1.67, r3= 2.07, r4= 2.57,  &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    MET   1           H        MET   1   3.504 -19.594 -11.822
    2    HA   MET   1           HA       MET   1   3.919 -19.516 -14.363
    3   1HB   MET   1          2HB       MET   1   4.440 -22.460 -13.759
    4   2HB   MET   1          3HB       MET   1   4.262 -21.733 -15.361
    5   1HG   MET   1          2HG       MET   1   6.254 -20.328 -14.967
    6   2HG   MET   1          3HG       MET   1   6.410 -20.982 -13.334
    7   1HE   MET   1          3HE       MET   1   6.700 -21.764 -17.162
    8   2HE   MET   1          1HE       MET   1   7.272 -23.449 -17.141
    9   3HE   MET   1          2HE       MET   1   5.606 -23.079 -16.655
   10    H    LYS  11           H        LYS  11   2.382 -21.668 -12.025
   11    HA   LYS  11           HA       LYS  11   0.030 -22.277 -13.572
   12   1HB   LYS  11          2HB       LYS  11   0.919 -23.643 -11.686
   13   2HB   LYS  11          3HB       LYS  11   0.508 -22.326 -10.585
   14   1HG   LYS  11          2HG       LYS  11  -1.939 -22.694 -11.719
   15   2HG   LYS  11          3HG       LYS  11  -1.277 -24.314 -11.960
   16   1HD   LYS  11          2HD       LYS  11  -1.524 -22.756  -9.344
   17   2HD   LYS  11          3HD       LYS  11  -2.531 -24.121  -9.839
   18   1HE   LYS  11          2HE       LYS  11  -0.570 -25.632  -9.758
   19   2HE   LYS  11          3HE       LYS  11   0.479 -24.277  -9.297
   20   1HZ   LYS  11          3HZ       LYS  11  -1.790 -25.236  -7.719
   21   2HZ   LYS  11          1HZ       LYS  11  -0.198 -25.542  -7.419
   22   3HZ   LYS  11          2HZ       LYS  11  -0.768 -24.001  -7.320
   23    H    ARG  12           H        ARG  12  -0.697 -20.174 -14.372
   24    HA   ARG  12           HA       ARG  12  -1.441 -18.038 -12.608
   25   1HB   ARG  12          2HB       ARG  12  -2.413 -18.789 -15.372
   26   2HB   ARG  12          3HB       ARG  12  -3.069 -17.437 -14.448
   27   1HG   ARG  12          2HG       ARG  12  -1.456 -16.615 -16.004
   28   2HG   ARG  12          3HG       ARG  12  -0.928 -16.309 -14.344
   29   1HD   ARG  12          2HD       ARG  12   0.690 -18.099 -14.453
   30   2HD   ARG  12          3HD       ARG  12   0.018 -18.667 -16.008
   31    HE   ARG  12           HE       ARG  12   0.897 -15.936 -16.183
   32   1HH1  ARG  12          1HH2      ARG  12   2.103 -19.259 -16.025
   33   2HH1  ARG  12          2HH2      ARG  12   3.485 -18.956 -17.049
   34   1HH2  ARG  12          1HH1      ARG  12   2.750 -15.504 -17.451
   35   2HH2  ARG  12          2HH1      ARG  12   3.889 -16.768 -17.824
   36    H    TYR  13           H        TYR  13  -3.214 -17.881 -11.174
   37    HA   TYR  13           HA       TYR  13  -5.035 -20.162 -10.956
   38   1HB   TYR  13          2HB       TYR  13  -5.050 -17.444  -9.589
   39   2HB   TYR  13          3HB       TYR  13  -6.021 -18.845  -9.137
   40    HD1  TYR  13           HD1      TYR  13  -4.217 -21.084  -8.969
   41    HD2  TYR  13           HD2      TYR  13  -3.599 -16.964  -7.843
   42    HE1  TYR  13           HE1      TYR  13  -2.821 -21.811  -7.073
   43    HE2  TYR  13           HE2      TYR  13  -2.209 -17.704  -5.933
   44    HH   TYR  13           HH       TYR  13  -1.418 -21.116  -5.360
   45    H    ILE  14           H        ILE  14  -6.956 -20.264 -12.037
   46    HA   ILE  14           HA       ILE  14  -7.652 -18.054 -13.825
   47    HB   ILE  14           HB       ILE  14  -8.796 -20.855 -13.711
   48   1HG1  ILE  14          2HG1      ILE  14  -6.359 -19.625 -15.021
   49   2HG1  ILE  14          3HG1      ILE  14  -6.475 -21.136 -14.109
   50   1HG2  ILE  14          2HG2      ILE  14 -10.205 -19.168 -14.928
   51   2HG2  ILE  14          3HG2      ILE  14  -8.784 -18.750 -15.915
   52   3HG2  ILE  14          1HG2      ILE  14  -9.522 -20.365 -16.007
   53   1HD1  ILE  14          2HD1      ILE  14  -7.799 -22.073 -16.061
   54   2HD1  ILE  14          3HD1      ILE  14  -7.402 -20.560 -16.937
   55   3HD1  ILE  14          1HD1      ILE  14  -6.108 -21.643 -16.411
   56    H    CYS  15           H        CYS  15  -9.545 -17.005 -13.932
   57    HA   CYS  15           HA       CYS  15 -11.014 -16.423 -11.558
   58   1HB   CYS  15          2HB       CYS  15 -10.733 -14.783 -13.229
   59   2HB   CYS  15          3HB       CYS  15 -11.329 -15.847 -14.505
   60    H    SER  16           H        SER  16 -12.604 -17.484 -10.581
   61    HA   SER  16           HA       SER  16 -13.560 -19.916 -11.035
   62   1HB   SER  16          2HB       SER  16 -15.350 -17.720  -9.942
   63   2HB   SER  16          3HB       SER  16 -15.123 -19.380  -9.355
   64    HG   SER  16           HG       SER  16 -13.972 -17.872  -8.058
   65    H    PHE  17           H        PHE  17 -14.978 -16.929 -12.351
   66    HA   PHE  17           HA       PHE  17 -17.244 -18.229 -13.618
   67   1HB   PHE  17          2HB       PHE  17 -16.091 -15.465 -14.090
   68   2HB   PHE  17          3HB       PHE  17 -17.708 -16.021 -14.486
   69    HD1  PHE  17           HD2      PHE  17 -19.279 -16.701 -12.552
   70    HD2  PHE  17           HD1      PHE  17 -15.579 -14.575 -11.908
   71    HE1  PHE  17           HE2      PHE  17 -19.975 -16.171 -10.233
   72    HE2  PHE  17           HE1      PHE  17 -16.228 -14.163  -9.561
   73    HZ   PHE  17           HZ       PHE  17 -18.447 -14.920  -8.726
   74    H    ALA  18           H        ALA  18 -15.519 -19.809 -14.483
   75    HA   ALA  18           HA       ALA  18 -13.647 -19.984 -16.119
   76   1HB   ALA  18          1HB       ALA  18 -15.170 -21.840 -15.749
   77   2HB   ALA  18          2HB       ALA  18 -16.339 -21.168 -16.904
   78   3HB   ALA  18          3HB       ALA  18 -14.751 -21.732 -17.469
   79    H    ASP  19           H        ASP  19 -16.674 -19.186 -17.865
   80    HA   ASP  19           HA       ASP  19 -15.765 -18.732 -20.388
   81   1HB   ASP  19          2HB       ASP  19 -17.857 -17.073 -18.915
   82   2HB   ASP  19          3HB       ASP  19 -17.688 -17.213 -20.670
   83    H    CYS  20           H        CYS  20 -15.488 -16.458 -17.690
   84    HA   CYS  20           HA       CYS  20 -14.781 -14.088 -18.982
   85   1HB   CYS  20          2HB       CYS  20 -15.316 -14.458 -16.564
   86   2HB   CYS  20          3HB       CYS  20 -13.727 -15.213 -16.371
   87    H    GLY  21           H        GLY  21 -12.793 -16.965 -18.278
   88   1HA   GLY  21          2HA       GLY  21 -10.734 -17.608 -18.964
   89   2HA   GLY  21          3HA       GLY  21 -10.893 -16.445 -20.285
   90    H    ALA  22           H        ALA  22 -10.976 -15.082 -17.066
   91    HA   ALA  22           HA       ALA  22  -8.386 -13.766 -17.530
   92   1HB   ALA  22          2HB       ALA  22 -10.284 -12.490 -16.640
   93   2HB   ALA  22          3HB       ALA  22 -10.359 -13.561 -15.220
   94   3HB   ALA  22          1HB       ALA  22  -8.936 -12.534 -15.481
   95    H    ALA  23           H        ALA  23  -6.475 -14.178 -16.284
   96    HA   ALA  23           HA       ALA  23  -6.609 -16.132 -14.131
   97   1HB   ALA  23          2HB       ALA  23  -6.551 -17.501 -16.224
   98   2HB   ALA  23          3HB       ALA  23  -5.025 -16.709 -16.667
   99   3HB   ALA  23          1HB       ALA  23  -5.117 -17.727 -15.211
  100    H    TYR  24           H        TYR  24  -4.885 -15.859 -12.677
  101    HA   TYR  24           HA       TYR  24  -2.494 -14.343 -13.483
  102   1HB   TYR  24          2HB       TYR  24  -4.046 -13.345 -11.088
  103   2HB   TYR  24          3HB       TYR  24  -2.703 -12.581 -11.919
  104    HD1  TYR  24           HD1      TYR  24  -6.306 -13.373 -12.032
  105    HD2  TYR  24           HD2      TYR  24  -3.170 -10.986 -13.797
  106    HE1  TYR  24           HE1      TYR  24  -7.993 -12.043 -13.242
  107    HE2  TYR  24           HE2      TYR  24  -4.855  -9.630 -14.948
  108    HH   TYR  24           HH       TYR  24  -7.096  -9.240 -15.287
  109    H    ASN  25           H        ASN  25  -0.718 -15.096 -12.250
  110    HA   ASN  25           HA       ASN  25  -1.165 -17.408 -10.532
  111   1HB   ASN  25          2HB       ASN  25   0.834 -16.894 -12.094
  112   2HB   ASN  25          3HB       ASN  25   1.438 -15.868 -10.789
  113   1HD2  ASN  25          1HD2      ASN  25   1.617 -19.023  -8.648
  114   2HD2  ASN  25          2HD2      ASN  25   0.690 -17.551  -8.501
  115    H    LYS  26           H        LYS  26  -0.612 -13.983  -9.994
  116    HA   LYS  26           HA       LYS  26  -0.034 -14.263  -7.157
  117   1HB   LYS  26          2HB       LYS  26  -0.687 -11.951  -9.012
  118   2HB   LYS  26          3HB       LYS  26  -0.441 -11.740  -7.284
  119   1HG   LYS  26          2HG       LYS  26   1.621 -12.976  -9.182
  120   2HG   LYS  26          3HG       LYS  26   1.546 -11.266  -8.739
  121   1HD   LYS  26          2HD       LYS  26   1.709 -12.013  -6.287
  122   2HD   LYS  26          3HD       LYS  26   2.146 -13.616  -6.875
  123   1HE   LYS  26          2HE       LYS  26   3.624 -11.060  -7.674
  124   2HE   LYS  26          3HE       LYS  26   4.054 -12.053  -6.291
  125   1HZ   LYS  26          3HZ       LYS  26   4.402 -13.905  -7.731
  126   2HZ   LYS  26          1HZ       LYS  26   4.010 -13.006  -9.059
  127   3HZ   LYS  26          2HZ       LYS  26   5.347 -12.637  -8.165
  128    H    ASN  27           H        ASN  27  -1.528 -14.776  -5.659
  129    HA   ASN  27           HA       ASN  27  -4.271 -15.059  -6.140
  130   1HB   ASN  27          2HB       ASN  27  -3.150 -16.099  -4.239
  131   2HB   ASN  27          3HB       ASN  27  -2.850 -14.508  -3.505
  132   1HD2  ASN  27          1HD2      ASN  27  -6.575 -16.202  -3.246
  133   2HD2  ASN  27          2HD2      ASN  27  -5.364 -16.918  -4.296
  134    H    TRP  28           H        TRP  28  -2.581 -12.265  -4.637
  135    HA   TRP  28           HA       TRP  28  -4.785 -10.663  -4.009
  136   1HB   TRP  28          2HB       TRP  28  -3.316  -8.839  -3.939
  137   2HB   TRP  28          3HB       TRP  28  -2.454 -10.236  -3.343
  138    HD1  TRP  28           HD1      TRP  28  -0.317 -10.986  -4.647
  139    HE1  TRP  28           HE1      TRP  28   1.200  -9.858  -6.373
  140    HE3  TRP  28           HE3      TRP  28  -3.470  -7.256  -6.214
  141    HZ2  TRP  28           HZ2      TRP  28   1.086  -7.609  -8.190
  142    HZ3  TRP  28           HZ3      TRP  28  -2.735  -5.650  -7.927
  143    HH2  TRP  28           HH2      TRP  28  -0.465  -5.807  -8.920
  144    H    LYS  29           H        LYS  29  -3.035 -10.927  -7.125
  145    HA   LYS  29           HA       LYS  29  -4.520  -8.920  -8.505
  146   1HB   LYS  29          2HB       LYS  29  -2.754 -11.238  -9.243
  147   2HB   LYS  29          3HB       LYS  29  -3.828 -10.694 -10.502
  148   1HG   LYS  29          2HG       LYS  29  -1.832  -8.988  -8.986
  149   2HG   LYS  29          3HG       LYS  29  -1.600  -9.651 -10.598
  150   1HD   LYS  29          2HD       LYS  29  -3.591  -7.456  -9.807
  151   2HD   LYS  29          3HD       LYS  29  -2.144  -7.367 -10.788
  152   1HE   LYS  29          2HE       LYS  29  -3.833  -7.435 -12.425
  153   2HE   LYS  29          3HE       LYS  29  -3.300  -9.105 -12.348
  154   1HZ   LYS  29          2HZ       LYS  29  -5.265  -9.431 -10.852
  155   2HZ   LYS  29          3HZ       LYS  29  -5.673  -7.859 -11.108
  156   3HZ   LYS  29          1HZ       LYS  29  -5.665  -8.915 -12.360
  157    H    LEU  30           H        LEU  30  -4.956 -12.497  -8.274
  158    HA   LEU  30           HA       LEU  30  -7.309 -12.393  -9.832
  159   1HB   LEU  30          2HB       LEU  30  -6.003 -14.482  -9.386
  160   2HB   LEU  30          3HB       LEU  30  -6.591 -14.445  -7.718
  161    HG   LEU  30           HG       LEU  30  -8.950 -14.599  -8.596
  162   1HD1  LEU  30          2HD1      LEU  30  -7.555 -15.096 -11.272
  163   2HD1  LEU  30          3HD1      LEU  30  -9.264 -15.363 -10.944
  164   3HD1  LEU  30          1HD1      LEU  30  -8.635 -13.726 -10.917
  165   1HD2  LEU  30          3HD2      LEU  30  -7.589 -16.589  -7.873
  166   2HD2  LEU  30          1HD2      LEU  30  -8.879 -16.952  -9.045
  167   3HD2  LEU  30          2HD2      LEU  30  -7.200 -16.844  -9.590
  168    H    GLN  31           H        GLN  31  -6.836 -11.864  -6.330
  169    HA   GLN  31           HA       GLN  31  -9.634 -11.923  -5.658
  170   1HB   GLN  31          2HB       GLN  31  -7.459 -10.242  -4.363
  171   2HB   GLN  31          3HB       GLN  31  -9.062 -10.590  -3.735
  172   1HG   GLN  31          2HG       GLN  31  -6.613 -12.296  -3.783
  173   2HG   GLN  31          3HG       GLN  31  -7.789 -12.080  -2.516
  174   1HE2  GLN  31          1HE2      GLN  31  -8.216 -15.117  -5.234
  175   2HE2  GLN  31          2HE2      GLN  31  -6.949 -13.893  -5.390
  176    H    ALA  32           H        ALA  32  -7.442  -9.250  -6.597
  177    HA   ALA  32           HA       ALA  32  -9.431  -7.199  -6.646
  178   1HB   ALA  32          1HB       ALA  32  -6.880  -7.538  -8.276
  179   2HB   ALA  32          2HB       ALA  32  -7.792  -6.016  -8.084
  180   3HB   ALA  32          3HB       ALA  32  -7.020  -6.767  -6.668
  181    H    HIS  33           H        HIS  33  -8.506  -9.581  -9.141
  182    HA   HIS  33           HA       HIS  33 -10.262  -8.466 -11.125
  183   1HB   HIS  33          2HB       HIS  33  -8.486 -10.038 -11.660
  184   2HB   HIS  33          3HB       HIS  33  -9.302 -11.314 -10.750
  185    HD1  HIS  33           HD1      HIS  33  -9.363  -9.629 -14.118
  186    HD2  HIS  33           HD2      HIS  33 -11.730 -12.195 -11.758
  187    HE1  HIS  33           HE1      HIS  33 -11.284 -10.440 -15.602
  188    H    LEU  34           H        LEU  34 -10.735 -11.296  -8.960
  189    HA   LEU  34           HA       LEU  34 -13.410 -11.805  -9.525
  190   1HB   LEU  34          2HB       LEU  34 -11.871 -12.210  -6.955
  191   2HB   LEU  34          3HB       LEU  34 -13.482 -12.861  -7.232
  192    HG   LEU  34           HG       LEU  34 -11.141 -13.541  -9.038
  193   1HD1  LEU  34          3HD1      LEU  34 -12.270 -15.057  -6.644
  194   2HD1  LEU  34          1HD1      LEU  34 -11.038 -15.671  -7.766
  195   3HD1  LEU  34          2HD1      LEU  34 -10.676 -14.279  -6.726
  196   1HD2  LEU  34          1HD2      LEU  34 -13.877 -14.826  -8.648
  197   2HD2  LEU  34          2HD2      LEU  34 -13.333 -13.940 -10.091
  198   3HD2  LEU  34          3HD2      LEU  34 -12.568 -15.468  -9.656
  199    H    SER  35           H        SER  35 -12.112  -9.351  -7.285
  200    HA   SER  35           HA       SER  35 -14.449  -8.791  -5.876
  201   1HB   SER  35          2HB       SER  35 -13.578  -6.690  -5.338
  202   2HB   SER  35          3HB       SER  35 -12.180  -7.772  -5.461
  203    HG   SER  35           HG       SER  35 -11.889  -6.871  -7.617
  204    H    LYS  36           H        LYS  36 -13.672  -7.944  -9.249
  205    HA   LYS  36           HA       LYS  36 -15.704  -5.981  -9.635
  206   1HB   LYS  36          2HB       LYS  36 -14.507  -7.964 -11.615
  207   2HB   LYS  36          3HB       LYS  36 -15.431  -6.511 -12.022
  208   1HG   LYS  36          2HG       LYS  36 -13.719  -5.085 -10.955
  209   2HG   LYS  36          3HG       LYS  36 -12.774  -6.517 -10.513
  210   1HD   LYS  36          2HD       LYS  36 -12.536  -7.132 -12.902
  211   2HD   LYS  36          3HD       LYS  36 -13.519  -5.732 -13.368
  212   1HE   LYS  36          2HE       LYS  36 -11.164  -5.192 -13.673
  213   2HE   LYS  36          3HE       LYS  36 -11.832  -4.205 -12.362
  214   1HZ   LYS  36          3HZ       LYS  36 -10.253  -6.662 -12.031
  215   2HZ   LYS  36          1HZ       LYS  36  -9.698  -5.128 -11.827
  216   3HZ   LYS  36          2HZ       LYS  36 -10.839  -5.731 -10.802
  217    H    HIS  37           H        HIS  37 -15.786  -9.532  -9.675
  218    HA   HIS  37           HA       HIS  37 -18.565  -9.601 -10.714
  219   1HB   HIS  37          2HB       HIS  37 -16.673 -11.790  -9.814
  220   2HB   HIS  37          3HB       HIS  37 -18.261 -12.035 -10.533
  221    HD1  HIS  37           HD1      HIS  37 -18.447 -11.697 -13.182
  222    HD2  HIS  37           HD2      HIS  37 -14.647 -11.648 -11.409
  223    HE1  HIS  37           HE1      HIS  37 -16.784 -12.422 -14.981
  224    H    THR  38           H        THR  38 -16.718 -10.595  -7.851
  225    HA   THR  38           HA       THR  38 -19.036 -11.519  -6.384
  226    HB   THR  38           HB       THR  38 -17.399 -12.064  -4.676
  227    HG1  THR  38          1HG       THR  38 -15.479 -10.794  -6.342
  228   1HG2  THR  38          2HG2      THR  38 -17.550 -13.606  -6.603
  229   2HG2  THR  38          3HG2      THR  38 -16.240 -12.727  -7.423
  230   3HG2  THR  38          1HG2      THR  38 -15.922 -13.564  -5.898
  231    H    GLY  39           H        GLY  39 -17.094  -8.519  -6.320
  232   1HA   GLY  39          2HA       GLY  39 -17.471  -6.573  -5.153
  233   2HA   GLY  39          3HA       GLY  39 -18.904  -7.276  -4.392
  234    H    GLU  40           H        GLU  40 -16.190  -9.420  -4.107
  235    HA   GLU  40           HA       GLU  40 -16.053  -8.909  -1.239
  236   1HB   GLU  40          2HB       GLU  40 -14.591 -10.814  -3.106
  237   2HB   GLU  40          3HB       GLU  40 -14.307 -10.744  -1.363
  238   1HG   GLU  40          2HG       GLU  40 -16.630 -11.303  -0.874
  239   2HG   GLU  40          3HG       GLU  40 -17.051 -11.266  -2.587
  240    H    LYS  41           H        LYS  41 -14.333  -8.113  -0.070
  241    HA   LYS  41           HA       LYS  41 -11.968  -7.002  -1.506
  242   1HB   LYS  41          2HB       LYS  41 -13.479  -5.458   0.617
  243   2HB   LYS  41          3HB       LYS  41 -12.146  -4.935  -0.432
  244   1HG   LYS  41          2HG       LYS  41 -13.751  -5.363  -2.418
  245   2HG   LYS  41          3HG       LYS  41 -15.021  -5.597  -1.207
  246   1HD   LYS  41          2HD       LYS  41 -15.421  -3.415  -1.427
  247   2HD   LYS  41          3HD       LYS  41 -14.007  -3.196  -0.387
  248   1HE   LYS  41          2HE       LYS  41 -12.584  -3.063  -2.486
  249   2HE   LYS  41          3HE       LYS  41 -14.075  -3.156  -3.442
  250   1HZ   LYS  41          1HZ       LYS  41 -14.809  -1.160  -2.274
  251   2HZ   LYS  41          2HZ       LYS  41 -13.343  -1.072  -1.513
  252   3HZ   LYS  41          3HZ       LYS  41 -13.432  -0.912  -3.144
  253    HA   PRO  42           HA       PRO  42 -11.110 -10.104   1.820
  254   1HB   PRO  42          2HB       PRO  42  -8.556 -10.018   0.206
  255   2HB   PRO  42          3HB       PRO  42  -9.309 -11.424   1.014
  256   1HG   PRO  42          2HG       PRO  42  -9.696 -11.004  -1.632
  257   2HG   PRO  42          3HG       PRO  42 -11.094 -11.457  -0.607
  258   1HD   PRO  42          2HD       PRO  42 -10.291  -8.759  -1.656
  259   2HD   PRO  42          3HD       PRO  42 -11.903  -9.497  -1.530
  260    H    PHE  43           H        PHE  43  -9.178  -7.156   1.162
  261    HA   PHE  43           HA       PHE  43  -7.744  -7.563   3.769
  262   1HB   PHE  43          2HB       PHE  43  -6.946  -6.006   1.311
  263   2HB   PHE  43          3HB       PHE  43  -6.079  -6.058   2.831
  264    HD1  PHE  43           HD1      PHE  43  -5.007  -8.171   3.623
  265    HD2  PHE  43           HD2      PHE  43  -6.920  -7.974  -0.239
  266    HE1  PHE  43           HE1      PHE  43  -3.852 -10.250   2.930
  267    HE2  PHE  43           HE2      PHE  43  -5.758 -10.033  -0.923
  268    HZ   PHE  43           HZ       PHE  43  -4.212 -11.179   0.653
  269    HA   PRO  44           HA       PRO  44 -10.510  -3.942   4.413
  270   1HB   PRO  44          2HB       PRO  44 -11.632  -4.556   6.808
  271   2HB   PRO  44          3HB       PRO  44 -12.192  -5.307   5.285
  272   1HG   PRO  44          2HG       PRO  44 -10.163  -6.430   7.242
  273   2HG   PRO  44          3HG       PRO  44 -11.630  -7.251   6.621
  274   1HD   PRO  44          2HD       PRO  44  -9.187  -7.647   5.501
  275   2HD   PRO  44          3HD       PRO  44 -10.657  -7.519   4.483
  276    H    CYS  45           H        CYS  45 -10.161  -2.136   5.729
  277    HA   CYS  45           HA       CYS  45  -7.544  -1.973   7.037
  278   1HB   CYS  45          2HB       CYS  45  -8.291  -0.199   5.604
  279   2HB   CYS  45          3HB       CYS  45  -9.761   0.020   6.559
  280    H    LYS  46           H        LYS  46 -10.798  -2.571   8.058
  281    HA   LYS  46           HA       LYS  46 -11.735  -3.085  10.001
  282   1HB   LYS  46          2HB       LYS  46  -8.976  -3.014  11.247
  283   2HB   LYS  46          3HB       LYS  46 -10.441  -3.670  11.952
  284   1HG   LYS  46          2HG       LYS  46  -9.156  -4.725   9.393
  285   2HG   LYS  46          3HG       LYS  46  -8.926  -5.379  11.020
  286   1HD   LYS  46          2HD       LYS  46 -11.528  -5.593  11.108
  287   2HD   LYS  46          3HD       LYS  46 -11.457  -5.382   9.347
  288   1HE   LYS  46          2HE       LYS  46  -9.800  -7.331   9.291
  289   2HE   LYS  46          3HE       LYS  46 -10.094  -7.549  11.021
  290   1HZ   LYS  46          2HZ       LYS  46 -12.398  -7.918  10.531
  291   2HZ   LYS  46          3HZ       LYS  46 -12.135  -7.712   8.917
  292   3HZ   LYS  46          1HZ       LYS  46 -11.452  -8.986   9.708
  293    H    GLU  47           H        GLU  47  -9.336  -0.499  10.504
  294    HA   GLU  47           HA       GLU  47 -10.114   0.717  12.763
  295   1HB   GLU  47          2HB       GLU  47  -9.410   2.075  10.129
  296   2HB   GLU  47          3HB       GLU  47  -9.468   2.893  11.696
  297   1HG   GLU  47          2HG       GLU  47  -7.782   1.243  12.591
  298   2HG   GLU  47          3HG       GLU  47  -7.617   0.571  10.963
  299    H    GLU  48           H        GLU  48 -11.701   1.889  13.625
  300    HA   GLU  48           HA       GLU  48 -14.309   1.905  12.579
  301   1HB   GLU  48          2HB       GLU  48 -13.009   3.703  14.687
  302   2HB   GLU  48          3HB       GLU  48 -14.736   3.640  14.342
  303   1HG   GLU  48          2HG       GLU  48 -14.395   2.274  16.252
  304   2HG   GLU  48          3HG       GLU  48 -14.770   1.200  14.901
  305    H    GLY  49           H        GLY  49 -15.467   3.371  11.349
  306   1HA   GLY  49          2HA       GLY  49 -15.902   5.230  10.048
  307   2HA   GLY  49          3HA       GLY  49 -14.448   6.030  10.670
  308    H    CYS  50           H        CYS  50 -12.332   4.751   9.964
  309    HA   CYS  50           HA       CYS  50 -12.333   4.689   7.023
  310   1HB   CYS  50          2HB       CYS  50 -10.552   5.799   8.344
  311   2HB   CYS  50          3HB       CYS  50 -10.065   4.228   8.988
  312    H    GLU  51           H        GLU  51 -14.009   2.707   7.767
  313    HA   GLU  51           HA       GLU  51 -12.588   0.149   7.962
  314   1HB   GLU  51          2HB       GLU  51 -14.794   0.749   9.077
  315   2HB   GLU  51          3HB       GLU  51 -15.545   0.601   7.475
  316   1HG   GLU  51          2HG       GLU  51 -14.618  -1.743   7.347
  317   2HG   GLU  51          3HG       GLU  51 -13.970  -1.535   8.987
  318    H    LYS  52           H        LYS  52 -11.416   1.131   5.955
  319    HA   LYS  52           HA       LYS  52 -12.714   0.958   3.378
  320   1HB   LYS  52          2HB       LYS  52  -9.766   0.776   4.093
  321   2HB   LYS  52          3HB       LYS  52 -10.410   1.141   2.486
  322   1HG   LYS  52          2HG       LYS  52 -10.852   2.901   4.936
  323   2HG   LYS  52          3HG       LYS  52  -9.498   3.094   3.819
  324   1HD   LYS  52          2HD       LYS  52 -10.987   3.607   1.979
  325   2HD   LYS  52          3HD       LYS  52 -12.420   3.141   2.903
  326   1HE   LYS  52          2HE       LYS  52 -12.172   5.596   2.736
  327   2HE   LYS  52          3HE       LYS  52 -12.199   5.015   4.407
  328   1HZ   LYS  52          3HZ       LYS  52  -9.746   5.659   2.920
  329   2HZ   LYS  52          1HZ       LYS  52 -10.501   6.669   3.986
  330   3HZ   LYS  52          2HZ       LYS  52  -9.860   5.244   4.507
  331    H    GLY  53           H        GLY  53 -12.183  -0.609   1.699
  332   1HA   GLY  53          2HA       GLY  53 -11.602  -3.394   2.673
  333   2HA   GLY  53          3HA       GLY  53 -12.889  -2.983   1.557
  334    H    PHE  54           H        PHE  54  -9.399  -3.465   1.903
  335    HA   PHE  54           HA       PHE  54  -8.916  -2.603  -0.893
  336   1HB   PHE  54          2HB       PHE  54  -7.061  -3.563   1.306
  337   2HB   PHE  54          3HB       PHE  54  -6.577  -3.361  -0.360
  338    HD1  PHE  54           HD1      PHE  54  -8.261  -1.414   2.412
  339    HD2  PHE  54           HD2      PHE  54  -5.709  -1.305  -1.064
  340    HE1  PHE  54           HE1      PHE  54  -8.011   1.045   2.650
  341    HE2  PHE  54           HE2      PHE  54  -5.387   1.138  -0.731
  342    HZ   PHE  54           HZ       PHE  54  -6.695   2.329   1.004
  343    H    THR  55           H        THR  55  -8.477  -4.081  -2.576
  344    HA   THR  55           HA       THR  55  -9.402  -6.855  -2.136
  345    HB   THR  55           HB       THR  55  -9.147  -6.824  -4.622
  346    HG1  THR  55          1HG       THR  55  -8.973  -4.689  -5.527
  347   1HG2  THR  55          2HG2      THR  55 -10.972  -4.745  -3.334
  348   2HG2  THR  55          3HG2      THR  55 -11.146  -5.362  -4.986
  349   3HG2  THR  55          1HG2      THR  55 -11.326  -6.467  -3.614
  350    H    SER  56           H        SER  56  -6.414  -5.295  -1.810
  351    HA   SER  56           HA       SER  56  -5.007  -7.833  -2.182
  352   1HB   SER  56          2HB       SER  56  -3.357  -6.533  -3.721
  353   2HB   SER  56          3HB       SER  56  -4.900  -7.139  -4.396
  354    HG   SER  56           HG       SER  56  -5.773  -5.099  -4.222
  355    H    LEU  57           H        LEU  57  -2.985  -7.859  -1.150
  356    HA   LEU  57           HA       LEU  57  -2.779  -6.070   1.094
  357   1HB   LEU  57          2HB       LEU  57  -2.291  -8.523   1.060
  358   2HB   LEU  57          3HB       LEU  57  -0.848  -8.229   0.096
  359    HG   LEU  57           HG       LEU  57  -0.619  -8.731   2.522
  360   1HD1  LEU  57          3HD1      LEU  57   1.144  -7.401   1.147
  361   2HD1  LEU  57          1HD1      LEU  57   0.753  -6.085   2.287
  362   3HD1  LEU  57          2HD1      LEU  57   1.291  -7.631   2.897
  363   1HD2  LEU  57          2HD2      LEU  57  -2.547  -7.393   3.298
  364   2HD2  LEU  57          3HD2      LEU  57  -1.069  -7.133   4.250
  365   3HD2  LEU  57          1HD2      LEU  57  -1.597  -5.904   3.092
  366    H    HIS  58           H        HIS  58  -0.675  -4.996   1.534
  367    HA   HIS  58           HA       HIS  58   0.873  -3.579   1.179
  368   1HB   HIS  58          2HB       HIS  58   1.690  -5.424  -0.517
  369   2HB   HIS  58          3HB       HIS  58   1.476  -4.103  -1.674
  370    HD1  HIS  58           HD1      HIS  58   3.543  -5.122   1.416
  371    HD2  HIS  58           HD2      HIS  58   2.803  -1.712  -0.925
  372    HE1  HIS  58           HE1      HIS  58   5.192  -3.347   2.169
  373    H    HIS  59           H        HIS  59  -1.562  -3.506  -1.417
  374    HA   HIS  59           HA       HIS  59  -1.402  -0.664  -1.844
  375   1HB   HIS  59          2HB       HIS  59  -3.742  -2.591  -2.035
  376   2HB   HIS  59          3HB       HIS  59  -3.791  -0.889  -2.525
  377    HD1  HIS  59           HD1      HIS  59  -3.412  -4.011  -4.207
  378    HD2  HIS  59           HD2      HIS  59  -1.362  -0.320  -4.217
  379    HE1  HIS  59           HE1      HIS  59  -2.080  -3.904  -6.398
  380    HE2  HIS  59           HE2      HIS  59  -0.855  -1.660  -6.397
  381    H    LEU  60           H        LEU  60  -2.854  -2.750   0.588
  382    HA   LEU  60           HA       LEU  60  -4.176  -0.794   2.184
  383   1HB   LEU  60          2HB       LEU  60  -4.478  -3.300   2.272
  384   2HB   LEU  60          3HB       LEU  60  -2.852  -3.436   2.946
  385    HG   LEU  60           HG       LEU  60  -3.662  -1.976   4.897
  386   1HD1  LEU  60          1HD1      LEU  60  -6.384  -2.668   3.684
  387   2HD1  LEU  60          2HD1      LEU  60  -6.102  -1.923   5.269
  388   3HD1  LEU  60          3HD1      LEU  60  -5.695  -1.036   3.800
  389   1HD2  LEU  60          3HD2      LEU  60  -3.380  -4.429   5.057
  390   2HD2  LEU  60          1HD2      LEU  60  -4.769  -3.870   6.009
  391   3HD2  LEU  60          2HD2      LEU  60  -5.030  -4.660   4.441
  392    H    THR  61           H        THR  61  -0.814  -2.136   2.180
  393    HA   THR  61           HA       THR  61   0.062  -0.779   4.481
  394    HB   THR  61           HB       THR  61   1.788  -1.693   2.176
  395    HG1  THR  61          1HG       THR  61   0.747  -3.104   4.423
  396   1HG2  THR  61          3HG2      THR  61   2.312  -1.417   5.169
  397   2HG2  THR  61          1HG2      THR  61   3.423  -2.125   3.979
  398   3HG2  THR  61          2HG2      THR  61   3.004  -0.406   3.881
  399    H    ARG  62           H        ARG  62   0.329   0.152   0.955
  400    HA   ARG  62           HA       ARG  62   1.662   2.601   1.593
  401   1HB   ARG  62          2HB       ARG  62   1.233   3.416  -0.622
  402   2HB   ARG  62          3HB       ARG  62   1.903   1.787  -0.578
  403   1HG   ARG  62          2HG       ARG  62   0.353   1.568  -2.252
  404   2HG   ARG  62          3HG       ARG  62  -0.515   0.991  -0.832
  405   1HD   ARG  62          2HD       ARG  62  -1.444   3.465  -0.727
  406   2HD   ARG  62          3HD       ARG  62  -0.832   3.602  -2.358
  407    HE   ARG  62           HE       ARG  62  -2.898   1.708  -1.293
  408   1HH1  ARG  62          1HH2      ARG  62  -1.386   3.077  -4.217
  409   2HH1  ARG  62          2HH2      ARG  62  -2.731   2.659  -5.248
  410   1HH2  ARG  62          1HH1      ARG  62  -4.666   1.264  -2.656
  411   2HH2  ARG  62          2HH1      ARG  62  -4.623   1.626  -4.355
  412    H    HIS  63           H        HIS  63  -1.839   1.744   1.358
  413    HA   HIS  63           HA       HIS  63  -2.813   4.380   1.856
  414   1HB   HIS  63          2HB       HIS  63  -4.430   2.819   1.286
  415   2HB   HIS  63          3HB       HIS  63  -3.885   1.626   2.453
  416    HD1  HIS  63           HD1      HIS  63  -4.775   5.277   3.425
  417    HD2  HIS  63           HD2      HIS  63  -5.846   1.265   4.090
  418    HE1  HIS  63           HE1      HIS  63  -6.370   5.261   5.401
  419    H    SER  64           H        SER  64  -1.608   1.856   4.120
  420    HA   SER  64           HA       SER  64  -2.170   3.220   6.506
  421   1HB   SER  64          2HB       SER  64   0.239   1.426   6.083
  422   2HB   SER  64          3HB       SER  64  -0.572   1.828   7.594
  423    HG   SER  64           HG       SER  64  -1.897   0.532   5.423
  424    H    LEU  65           H        LEU  65   0.229   4.139   4.096
  425    HA   LEU  65           HA       LEU  65   2.005   5.603   5.774
  426   1HB   LEU  65          2HB       LEU  65   1.073   6.311   2.979
  427   2HB   LEU  65          3HB       LEU  65   2.458   7.003   3.814
  428    HG   LEU  65           HG       LEU  65   2.233   4.064   3.112
  429   1HD1  LEU  65          1HD1      LEU  65   2.321   5.505   1.095
  430   2HD1  LEU  65          2HD1      LEU  65   3.768   6.304   1.747
  431   3HD1  LEU  65          3HD1      LEU  65   3.824   4.585   1.298
  432   1HD2  LEU  65          1HD2      LEU  65   4.615   5.715   4.038
  433   2HD2  LEU  65          2HD2      LEU  65   3.781   4.467   5.001
  434   3HD2  LEU  65          3HD2      LEU  65   4.660   4.016   3.538
  435    H    THR  66           H        THR  66  -1.269   6.272   4.559
  436    HA   THR  66           HA       THR  66  -1.288   9.053   5.277
  437    HB   THR  66           HB       THR  66  -3.622   9.011   4.815
  438    HG1  THR  66          1HG       THR  66  -3.406   6.203   4.901
  439   1HG2  THR  66          2HG2      THR  66  -1.963   8.816   2.890
  440   2HG2  THR  66          3HG2      THR  66  -2.282   7.074   2.850
  441   3HG2  THR  66          1HG2      THR  66  -3.589   8.216   2.523
  442    H    HIS  67           H        HIS  67  -2.045   6.084   7.074
  443    HA   HIS  67           HA       HIS  67  -3.272   7.520   9.320
  444   1HB   HIS  67          2HB       HIS  67  -2.304   4.656   8.910
  445   2HB   HIS  67          3HB       HIS  67  -2.859   5.261  10.470
  446    HD1  HIS  67           HD1      HIS  67  -5.470   6.373  10.392
  447    HD2  HIS  67           HD2      HIS  67  -4.248   3.600   7.467
  448    HE1  HIS  67           HE1      HIS  67  -7.594   5.453   9.319
  449    H    THR  68           H        THR  68  -0.137   5.944   8.614
  450    HA   THR  68           HA       THR  68   1.063   6.719  11.132
  451    HB   THR  68           HB       THR  68   3.189   6.059   9.956
  452    HG1  THR  68          1HG       THR  68   1.438   5.287   7.855
  453   1HG2  THR  68          2HG2      THR  68   1.849   4.385  11.189
  454   2HG2  THR  68          3HG2      THR  68   0.875   4.072   9.737
  455   3HG2  THR  68          1HG2      THR  68   2.604   3.676   9.748
  456    H    GLY  69           H        GLY  69   0.632   8.350   8.047
  457   1HA   GLY  69          2HA       GLY  69   0.922  10.560   7.514
  458   2HA   GLY  69          3HA       GLY  69   1.650  10.881   9.100
  459    H    GLU  70           H        GLU  70   2.702   8.228   7.031
  460    HA   GLU  70           HA       GLU  70   5.432   9.289   7.023
  461   1HB   GLU  70          2HB       GLU  70   4.149   6.693   6.182
  462   2HB   GLU  70          3HB       GLU  70   5.840   7.019   5.803
  463   1HG   GLU  70          2HG       GLU  70   4.699   7.192   8.617
  464   2HG   GLU  70          3HG       GLU  70   5.463   5.744   7.946
  465    H    LYS  71           H        LYS  71   4.466  11.179   5.820
  466    HA   LYS  71           HA       LYS  71   4.258  10.937   2.906
  467   1HB   LYS  71          2HB       LYS  71   3.209  12.716   4.504
  468   2HB   LYS  71          3HB       LYS  71   4.818  13.410   4.580
  469   1HG   LYS  71          2HG       LYS  71   4.766  13.823   2.177
  470   2HG   LYS  71          3HG       LYS  71   3.215  12.976   2.003
  471   1HD   LYS  71          2HD       LYS  71   3.601  15.298   3.913
  472   2HD   LYS  71          3HD       LYS  71   3.171  15.559   2.209
  473   1HE   LYS  71          2HE       LYS  71   1.120  14.064   2.639
  474   2HE   LYS  71          3HE       LYS  71   1.522  14.139   4.361
  475   1HZ   LYS  71          3HZ       LYS  71   1.357  16.520   4.218
  476   2HZ   LYS  71          1HZ       LYS  71   0.949  16.419   2.622
  477   3HZ   LYS  71          2HZ       LYS  71  -0.051  15.789   3.772
  478    H    ASN  72           H        ASN  72   6.143  10.517   1.714
  479    HA   ASN  72           HA       ASN  72   8.746  11.630   2.667
  480   1HB   ASN  72          2HB       ASN  72   8.103   8.686   2.298
  481   2HB   ASN  72          3HB       ASN  72   9.748   9.314   2.332
  482   1HD2  ASN  72          1HD2      ASN  72   7.807   8.737   5.851
  483   2HD2  ASN  72          2HD2      ASN  72   6.975   8.499   4.313
  484    H    PHE  73           H        PHE  73   6.865  10.625  -0.115
  485    HA   PHE  73           HA       PHE  73   9.253  10.192  -1.719
  486   1HB   PHE  73          2HB       PHE  73   6.347  10.523  -2.501
  487   2HB   PHE  73          3HB       PHE  73   7.665  10.107  -3.595
  488    HD1  PHE  73           HD2      PHE  73   9.156   8.098  -3.019
  489    HD2  PHE  73           HD1      PHE  73   5.456   8.844  -0.975
  490    HE1  PHE  73           HE2      PHE  73   9.269   5.861  -2.003
  491    HE2  PHE  73           HE1      PHE  73   5.484   6.551  -0.057
  492    HZ   PHE  73           HZ       PHE  73   7.410   5.051  -0.536
  493    H    THR  74           H        THR  74  10.474  11.890  -1.371
  494    HA   THR  74           HA       THR  74   9.722  14.634  -1.675
  495    HB   THR  74           HB       THR  74  12.449  13.329  -1.513
  496    HG1  THR  74          1HG       THR  74  10.944  12.799   0.238
  497   1HG2  THR  74          1HG2      THR  74  11.493  16.145  -0.824
  498   2HG2  THR  74          2HG2      THR  74  13.110  15.492  -0.492
  499   3HG2  THR  74          3HG2      THR  74  12.578  15.702  -2.169
  500    H    CYS  75           H        CYS  75   9.438  15.684  -3.556
  501    HA   CYS  75           HA       CYS  75  10.210  14.747  -6.146
  502   1HB   CYS  75          2HB       CYS  75   8.455  16.332  -5.997
  503   2HB   CYS  75          3HB       CYS  75   9.412  17.443  -5.006
  504    H    ASP  76           H        ASP  76  12.278  14.537  -6.849
  505    HA   ASP  76           HA       ASP  76  14.491  15.819  -5.489
  506   1HB   ASP  76          2HB       ASP  76  14.699  13.581  -6.380
  507   2HB   ASP  76          3HB       ASP  76  14.349  14.153  -8.027
  508    H    SER  77           H        SER  77  13.597  18.003  -5.761
  509    HA   SER  77           HA       SER  77  14.790  19.361  -8.100
  510   1HB   SER  77          2HB       SER  77  12.391  18.840  -8.677
  511   2HB   SER  77          3HB       SER  77  11.892  19.789  -7.258
  512    HG   SER  77           HG       SER  77  11.911  20.974  -9.251
  513    H    ASP  78           H        ASP  78  16.153  20.732  -7.054
  514    HA   ASP  78           HA       ASP  78  16.197  21.329  -4.362
  515   1HB   ASP  78          2HB       ASP  78  17.158  23.078  -6.667
  516   2HB   ASP  78          3HB       ASP  78  17.652  23.249  -4.978
  517    H    GLY  79           H        GLY  79  15.103  22.684  -2.998
  518   1HA   GLY  79          2HA       GLY  79  13.851  24.521  -2.305
  519   2HA   GLY  79          3HA       GLY  79  13.694  25.093  -3.975
  520    H    CYS  80           H        CYS  80  12.615  23.096  -5.346
  521    HA   CYS  80           HA       CYS  80   9.865  22.819  -4.355
  522   1HB   CYS  80          2HB       CYS  80  10.308  23.421  -6.634
  523   2HB   CYS  80          3HB       CYS  80  11.353  22.034  -6.883
  524    H    ASP  81           H        ASP  81  11.590  21.567  -2.570
  525    HA   ASP  81           HA       ASP  81  11.718  18.685  -3.155
  526   1HB   ASP  81          2HB       ASP  81  12.465  20.285  -0.694
  527   2HB   ASP  81          3HB       ASP  81  12.751  18.555  -0.925
  528    H    LEU  82           H        LEU  82   9.186  19.299  -3.484
  529    HA   LEU  82           HA       LEU  82   7.582  19.245  -1.070
  530   1HB   LEU  82          2HB       LEU  82   6.988  18.747  -3.999
  531   2HB   LEU  82          3HB       LEU  82   5.730  18.655  -2.752
  532    HG   LEU  82           HG       LEU  82   7.443  21.120  -3.290
  533   1HD1  LEU  82          1HD1      LEU  82   6.103  20.548  -5.265
  534   2HD1  LEU  82          3HD1      LEU  82   4.634  20.440  -4.268
  535   3HD1  LEU  82          2HD1      LEU  82   5.460  21.999  -4.480
  536   1HD2  LEU  82          1HD2      LEU  82   4.847  20.713  -1.716
  537   2HD2  LEU  82          2HD2      LEU  82   6.431  21.135  -1.027
  538   3HD2  LEU  82          3HD2      LEU  82   5.591  22.285  -2.067
  539    H    ARG  83           H        ARG  83   6.887  17.553   0.100
  540    HA   ARG  83           HA       ARG  83   7.830  14.827  -0.592
  541   1HB   ARG  83          2HB       ARG  83   6.796  16.070   1.976
  542   2HB   ARG  83          3HB       ARG  83   7.321  14.389   1.798
  543   1HG   ARG  83          2HG       ARG  83   9.574  15.078   1.172
  544   2HG   ARG  83          3HG       ARG  83   9.123  16.786   1.219
  545   1HD   ARG  83          2HD       ARG  83  10.295  16.196   3.273
  546   2HD   ARG  83          3HD       ARG  83   8.618  16.636   3.601
  547    HE   ARG  83           HE       ARG  83   8.128  14.512   4.309
  548   1HH1  ARG  83          2HH1      ARG  83  11.231  14.312   2.612
  549   2HH1  ARG  83          1HH1      ARG  83  11.733  12.870   3.449
  550   1HH2  ARG  83          2HH2      ARG  83   8.610  12.504   5.065
  551   2HH2  ARG  83          1HH2      ARG  83  10.167  11.767   4.893
  552    H    PHE  84           H        PHE  84   6.436  13.402  -1.424
  553    HA   PHE  84           HA       PHE  84   3.516  13.905  -1.149
  554   1HB   PHE  84          2HB       PHE  84   5.069  12.402  -3.272
  555   2HB   PHE  84          3HB       PHE  84   3.322  12.553  -3.214
  556    HD1  PHE  84           HD2      PHE  84   6.501  14.442  -3.764
  557    HD2  PHE  84           HD1      PHE  84   2.190  14.586  -3.946
  558    HE1  PHE  84           HE2      PHE  84   6.618  16.679  -4.734
  559    HE2  PHE  84           HE1      PHE  84   2.349  16.808  -5.032
  560    HZ   PHE  84           HZ       PHE  84   4.531  17.958  -5.190
  561    H    THR  85           H        THR  85   2.101  12.031  -1.095
  562    HA   THR  85           HA       THR  85   2.802  10.218   1.009
  563    HB   THR  85           HB       THR  85   0.445   9.356   0.337
  564    HG1  THR  85          1HG       THR  85  -0.632  10.983  -0.962
  565   1HG2  THR  85          2HG2      THR  85   0.898  10.972   2.193
  566   2HG2  THR  85          3HG2      THR  85   0.761  12.310   1.031
  567   3HG2  THR  85          1HG2      THR  85  -0.640  11.272   1.376
  568    H    THR  86           H        THR  86   2.567   9.856  -2.558
  569    HA   THR  86           HA       THR  86   3.732   7.130  -2.241
  570    HB   THR  86           HB       THR  86   2.287   6.300  -4.018
  571    HG1  THR  86          1HG       THR  86   0.617   8.536  -3.773
  572   1HG2  THR  86          1HG2      THR  86   1.581   5.974  -1.645
  573   2HG2  THR  86          2HG2      THR  86   0.586   7.439  -1.756
  574   3HG2  THR  86          3HG2      THR  86   0.222   6.037  -2.780
  575    H    LYS  87           H        LYS  87   4.861   6.382  -4.097
  576    HA   LYS  87           HA       LYS  87   6.538   8.274  -5.328
  577   1HB   LYS  87          2HB       LYS  87   5.763   5.465  -6.259
  578   2HB   LYS  87          3HB       LYS  87   7.086   6.443  -6.922
  579   1HG   LYS  87          2HG       LYS  87   8.193   6.491  -4.738
  580   2HG   LYS  87          3HG       LYS  87   6.903   5.483  -4.035
  581   1HD   LYS  87          2HD       LYS  87   7.461   3.716  -5.748
  582   2HD   LYS  87          3HD       LYS  87   8.754   4.773  -6.353
  583   1HE   LYS  87          2HE       LYS  87   9.724   3.090  -4.938
  584   2HE   LYS  87          3HE       LYS  87   9.873   4.652  -4.126
  585   1HZ   LYS  87          1HZ       LYS  87   7.839   2.591  -3.583
  586   2HZ   LYS  87          2HZ       LYS  87   9.153   2.922  -2.648
  587   3HZ   LYS  87          3HZ       LYS  87   7.952   4.040  -2.805
  588    H    ALA  88           H        ALA  88   3.526   6.685  -6.500
  589    HA   ALA  88           HA       ALA  88   3.641   7.859  -9.085
  590   1HB   ALA  88          3HB       ALA  88   2.326   5.926  -8.554
  591   2HB   ALA  88          1HB       ALA  88   1.185   6.910  -7.589
  592   3HB   ALA  88          2HB       ALA  88   1.358   7.195  -9.347
  593    H    ASN  89           H        ASN  89   2.157   9.093  -6.007
  594    HA   ASN  89           HA       ASN  89   1.005  11.415  -7.276
  595   1HB   ASN  89          2HB       ASN  89   1.917  10.921  -4.415
  596   2HB   ASN  89          3HB       ASN  89   1.148  12.423  -4.956
  597   1HD2  ASN  89          1HD2      ASN  89  -1.518  10.134  -3.630
  598   2HD2  ASN  89          2HD2      ASN  89  -0.012  10.731  -2.907
  599    H    MET  90           H        MET  90   4.222  10.796  -5.822
  600    HA   MET  90           HA       MET  90   5.326  13.384  -6.251
  601   1HB   MET  90          2HB       MET  90   6.449  11.689  -4.899
  602   2HB   MET  90          3HB       MET  90   6.611  10.632  -6.290
  603   1HG   MET  90          2HG       MET  90   8.086  12.386  -7.371
  604   2HG   MET  90          3HG       MET  90   8.008  13.269  -5.842
  605   1HE   MET  90          1HE       MET  90   9.128   9.984  -7.702
  606   2HE   MET  90          2HE       MET  90  10.092   9.158  -6.451
  607   3HE   MET  90          3HE       MET  90   8.339   9.221  -6.302
  608    H    LYS  91           H        LYS  91   5.196  10.520  -8.433
  609    HA   LYS  91           HA       LYS  91   6.509  11.763 -10.639
  610   1HB   LYS  91          2HB       LYS  91   4.451   9.530 -10.579
  611   2HB   LYS  91          3HB       LYS  91   5.327  10.026 -12.020
  612   1HG   LYS  91          2HG       LYS  91   6.661   8.948  -9.490
  613   2HG   LYS  91          3HG       LYS  91   6.269   8.026 -10.946
  614   1HD   LYS  91          2HD       LYS  91   7.734   9.738 -12.221
  615   2HD   LYS  91          3HD       LYS  91   8.286  10.281 -10.614
  616   1HE   LYS  91          2HE       LYS  91   8.987   7.948 -10.087
  617   2HE   LYS  91          3HE       LYS  91   8.458   7.434 -11.704
  618   1HZ   LYS  91          2HZ       LYS  91  10.073   8.917 -12.638
  619   2HZ   LYS  91          3HZ       LYS  91  10.572   9.391 -11.139
  620   3HZ   LYS  91          1HZ       LYS  91  10.791   7.832 -11.628
  621    H    LYS  92           H        LYS  92   2.965  11.525  -9.960
  622    HA   LYS  92           HA       LYS  92   2.071  12.962 -12.215
  623   1HB   LYS  92          2HB       LYS  92   0.973  13.058  -9.356
  624   2HB   LYS  92          3HB       LYS  92   0.182  13.740 -10.785
  625   1HG   LYS  92          2HG       LYS  92   0.435  11.262 -11.709
  626   2HG   LYS  92          3HG       LYS  92   0.476  10.853  -9.991
  627   1HD   LYS  92          2HD       LYS  92  -1.730  12.450 -11.389
  628   2HD   LYS  92          3HD       LYS  92  -1.778  10.731 -11.006
  629   1HE   LYS  92          2HE       LYS  92  -3.089  11.857  -9.380
  630   2HE   LYS  92          3HE       LYS  92  -1.637  11.252  -8.566
  631   1HZ   LYS  92          2HZ       LYS  92  -2.029  14.014  -9.507
  632   2HZ   LYS  92          3HZ       LYS  92  -2.298  13.506  -7.965
  633   3HZ   LYS  92          1HZ       LYS  92  -0.779  13.459  -8.590
  634    H    HIS  93           H        HIS  93   3.023  14.297  -8.980
  635    HA   HIS  93           HA       HIS  93   2.718  17.028  -9.718
  636   1HB   HIS  93          2HB       HIS  93   3.040  16.628  -7.443
  637   2HB   HIS  93          3HB       HIS  93   4.463  15.611  -7.697
  638    HD1  HIS  93           HD1      HIS  93   3.541  19.382  -7.799
  639    HD2  HIS  93           HD2      HIS  93   6.833  16.762  -8.006
  640    HE1  HIS  93           HE1      HIS  93   5.629  20.830  -7.897
  641    H    PHE  94           H        PHE  94   5.659  14.972  -9.817
  642    HA   PHE  94           HA       PHE  94   7.423  16.853 -10.835
  643   1HB   PHE  94          2HB       PHE  94   7.853  14.464 -10.002
  644   2HB   PHE  94          3HB       PHE  94   7.477  13.918 -11.631
  645    HD1  PHE  94           HD1      PHE  94   8.947  14.812 -13.572
  646    HD2  PHE  94           HD2      PHE  94   9.971  15.354  -9.412
  647    HE1  PHE  94           HE1      PHE  94  11.255  15.443 -14.214
  648    HE2  PHE  94           HE2      PHE  94  12.286  15.961 -10.066
  649    HZ   PHE  94           HZ       PHE  94  12.924  16.024 -12.463
  650    H    ASN  95           H        ASN  95   5.197  14.734 -12.601
  651    HA   ASN  95           HA       ASN  95   5.982  15.527 -15.244
  652   1HB   ASN  95          2HB       ASN  95   3.595  14.137 -13.997
  653   2HB   ASN  95          3HB       ASN  95   3.493  14.644 -15.669
  654   1HD2  ASN  95          1HD2      ASN  95   5.715  11.379 -14.651
  655   2HD2  ASN  95          2HD2      ASN  95   4.952  12.389 -13.422
  656    H    ARG  96           H        ARG  96   3.060  16.300 -13.394
  657    HA   ARG  96           HA       ARG  96   1.898  18.274 -14.897
  658   1HB   ARG  96          2HB       ARG  96   0.934  17.106 -12.999
  659   2HB   ARG  96          3HB       ARG  96   2.055  17.894 -11.892
  660   1HG   ARG  96          2HG       ARG  96   0.973  20.083 -12.370
  661   2HG   ARG  96          3HG       ARG  96  -0.170  19.275 -13.456
  662   1HD   ARG  96          2HD       ARG  96   0.251  18.551 -10.521
  663   2HD   ARG  96          3HD       ARG  96  -1.018  19.653 -11.091
  664    HE   ARG  96           HE       ARG  96  -1.561  17.518 -12.598
  665   1HH1  ARG  96          1HH1      ARG  96  -0.841  17.568  -9.106
  666   2HH1  ARG  96          2HH1      ARG  96  -2.142  16.465  -8.710
  667   1HH2  ARG  96          1HH2      ARG  96  -3.142  15.975 -12.055
  668   2HH2  ARG  96          2HH2      ARG  96  -3.393  15.510 -10.391
  669    H    PHE  97           H        PHE  97   4.576  18.734 -12.572
  670    HA   PHE  97           HA       PHE  97   4.567  21.674 -13.072
  671   1HB   PHE  97          2HB       PHE  97   5.798  19.933 -10.927
  672   2HB   PHE  97          3HB       PHE  97   6.241  21.607 -11.181
  673    HD1  PHE  97           HD1      PHE  97   3.029  19.651 -10.807
  674    HD2  PHE  97           HD2      PHE  97   5.276  23.197  -9.818
  675    HE1  PHE  97           HE1      PHE  97   1.124  20.505  -9.473
  676    HE2  PHE  97           HE2      PHE  97   3.464  23.911  -8.297
  677    HZ   PHE  97           HZ       PHE  97   1.407  22.538  -8.078
  678    H    HIS  98           H        HIS  98   6.497  18.834 -14.008
  679    HA   HIS  98           HA       HIS  98   8.565  20.721 -15.042
  680   1HB   HIS  98          2HB       HIS  98   9.348  18.074 -13.807
  681   2HB   HIS  98          3HB       HIS  98  10.354  19.432 -14.276
  682    HD1  HIS  98           HD1      HIS  98   8.813  21.723 -12.645
  683    HD2  HIS  98           HD2      HIS  98   9.521  17.831 -11.268
  684    HE1  HIS  98           HE1      HIS  98   8.608  21.804 -10.104
  685    H    ASN  99           H        ASN  99   7.736  17.196 -15.090
  686    HA   ASN  99           HA       ASN  99   8.522  17.170 -17.922
  687   1HB   ASN  99          2HB       ASN  99   8.926  15.239 -16.261
  688   2HB   ASN  99          3HB       ASN  99   7.292  14.736 -16.637
  689   1HD2  ASN  99          1HD2      ASN  99   7.845  14.297 -20.208
  690   2HD2  ASN  99          2HD2      ASN  99   6.689  14.959 -19.068
  691    H    ILE 100           H        ILE 100   6.817  18.937 -18.073
  692    HA   ILE 100           HA       ILE 100   4.044  18.094 -18.424
  693    HB   ILE 100           HB       ILE 100   5.534  20.615 -19.279
  694   1HG1  ILE 100          2HG1      ILE 100   3.721  20.053 -16.886
  695   2HG1  ILE 100          3HG1      ILE 100   5.480  20.188 -16.807
  696   1HG2  ILE 100          2HG2      ILE 100   3.465  20.269 -20.624
  697   2HG2  ILE 100          3HG2      ILE 100   2.532  20.077 -19.126
  698   3HG2  ILE 100          1HG2      ILE 100   3.291  21.631 -19.532
  699   1HD1  ILE 100          3HD1      ILE 100   5.317  22.539 -17.659
  700   2HD1  ILE 100          1HD1      ILE 100   3.548  22.428 -17.463
  701   3HD1  ILE 100          2HD1      ILE 100   4.605  22.252 -16.059
  702    H    LYS 101           H        LYS 101   6.924  18.522 -20.467
  703    HA   LYS 101           HA       LYS 101   5.599  18.119 -22.997
  704   1HB   LYS 101          2HB       LYS 101   8.505  17.588 -22.241
  705   2HB   LYS 101          3HB       LYS 101   7.856  17.803 -23.870
  706   1HG   LYS 101          2HG       LYS 101   8.034  19.914 -21.671
  707   2HG   LYS 101          3HG       LYS 101   9.006  19.806 -23.139
  708   1HD   LYS 101          2HD       LYS 101   6.905  20.082 -24.509
  709   2HD   LYS 101          3HD       LYS 101   6.004  20.378 -23.011
  710   1HE   LYS 101          2HE       LYS 101   8.358  22.038 -24.027
  711   2HE   LYS 101          3HE       LYS 101   6.647  22.480 -24.136
  712   1HZ   LYS 101          3HZ       LYS 101   6.547  22.456 -21.747
  713   2HZ   LYS 101          1HZ       LYS 101   8.149  22.081 -21.646
  714   3HZ   LYS 101          2HZ       LYS 101   7.680  23.524 -22.285
  715   1H5*    T   1          1H5*        T   1  -5.747  25.398 -13.713
  716   2H5*    T   1          2H5*        T   1  -4.157  24.748 -14.180
  717    H4*    T   1           H4*        T   1  -4.542  25.139 -11.659
  718    H3*    T   1           H3*        T   1  -3.358  22.779 -12.938
  719   1H2*    T   1          1H2*        T   1  -4.764  21.322 -11.850
  720   2H2*    T   1          2H2*        T   1  -3.770  21.631 -10.406
  721    H1*    T   1           H1*        T   1  -5.198  23.470  -9.726
  722    H3     T   1           H3         T   1  -8.241  20.925  -7.430
  723   1H5M    T   1          1H5M        T   1 -10.065  20.593 -12.186
  724   2H5M    T   1          2H5M        T   1  -8.715  19.499 -12.575
  725   3H5M    T   1          3H5M        T   1  -9.908  19.036 -11.351
  726    H6     T   1           H6         T   1  -7.218  21.427 -12.097
  727    H5T    T   1           H5T        T   1  -6.401  23.154 -13.566
  728   1H5*    T   2          1H5*        T   2  -2.427  23.538  -8.547
  729   2H5*    T   2          2H5*        T   2  -0.729  23.235  -8.156
  730    H4*    T   2           H4*        T   2  -2.021  22.143  -6.468
  731    H3*    T   2           H3*        T   2  -1.101  20.127  -8.553
  732   1H2*    T   2          1H2*        T   2  -2.445  18.595  -7.680
  733   2H2*    T   2          2H2*        T   2  -2.059  19.022  -5.981
  734    H1*    T   2           H1*        T   2  -3.744  20.512  -5.847
  735    H3     T   2           H3         T   2  -7.403  17.834  -6.209
  736   1H5M    T   2          1H5M        T   2  -5.691  18.859 -11.229
  737   2H5M    T   2          2H5M        T   2  -5.568  17.128 -10.840
  738   3H5M    T   2          3H5M        T   2  -7.155  17.914 -10.894
  739    H6     T   2           H6         T   2  -4.189  19.445  -9.390
  740   1H5*    G   3          1H5*        G   3   0.171  19.932  -4.074
  741   2H5*    G   3          2H5*        G   3   1.627  18.951  -3.824
  742    H4*    G   3           H4*        G   3  -0.258  18.656  -2.155
  743    H3*    G   3           H3*        G   3   1.470  16.715  -2.794
  744   1H2*    G   3          1H2*        G   3   0.203  16.010  -4.795
  745   2H2*    G   3          2H2*        G   3  -0.302  14.788  -3.620
  746    H1*    G   3           H1*        G   3  -2.205  16.076  -2.935
  747    H8     G   3           H8         G   3  -1.051  16.275  -6.644
  748    H1     G   3           H1         G   3  -7.223  14.781  -5.656
  749   1H2     G   3           H21        G   3  -7.567  14.746  -3.355
  750   2H2     G   3           H22        G   3  -6.305  15.320  -2.289
  751   1H5*    G   4          1H5*        G   4  -1.889  16.188   0.357
  752   2H5*    G   4          2H5*        G   4  -1.319  15.195   1.711
  753    H4*    G   4           H4*        G   4  -3.774  15.153   1.463
  754    H3*    G   4           H3*        G   4  -2.214  12.920   1.887
  755   1H2*    G   4          1H2*        G   4  -2.189  12.240  -0.411
  756   2H2*    G   4          2H2*        G   4  -3.592  11.293   0.157
  757    H1*    G   4           H1*        G   4  -5.123  13.018  -0.519
  758    H8     G   4           H8         G   4  -1.884  13.540  -2.650
  759    H1     G   4           H1         G   4  -6.939  11.191  -5.838
  760   1H2     G   4           H21        G   4  -8.428  10.380  -4.246
  761   2H2     G   4           H22        G   4  -8.232  10.869  -2.574
  762   1H5*    A   5          1H5*        A   5  -6.795  11.368   1.511
  763   2H5*    A   5          2H5*        A   5  -6.948  10.069   2.712
  764    H4*    A   5           H4*        A   5  -7.863   9.372   0.572
  765    H3*    A   5           H3*        A   5  -5.771   7.831   1.866
  766   1H2*    A   5          1H2*        A   5  -4.323   8.172   0.038
  767   2H2*    A   5          2H2*        A   5  -5.190   6.762  -0.629
  768    H1*    A   5           H1*        A   5  -6.881   8.221  -1.634
  769    H8     A   5           H8         A   5  -3.261   9.718  -1.519
  770   1H6     A   5           H61        A   5  -3.572   9.346  -7.690
  771   2H6     A   5           H62        A   5  -2.527   9.751  -6.329
  772    H2     A   5           H2         A   5  -7.293   7.602  -6.034
  773   1H5*    T   6          1H5*        T   6  -9.414   5.990  -0.722
  774   2H5*    T   6          2H5*        T   6  -9.755   4.479   0.148
  775    H4*    T   6           H4*        T   6 -10.428   4.315  -2.221
  776    H3*    T   6           H3*        T   6  -8.864   2.414  -0.857
  777   1H2*    T   6          1H2*        T   6  -6.862   3.001  -1.824
  778   2H2*    T   6          2H2*        T   6  -7.352   1.798  -3.017
  779    H1*    T   6           H1*        T   6  -8.446   3.447  -4.403
  780    H3     T   6           H3         T   6  -5.091   5.235  -6.911
  781   1H5M    T   6          1H5M        T   6  -3.380   6.698  -2.359
  782   2H5M    T   6          2H5M        T   6  -3.347   5.005  -1.818
  783   3H5M    T   6          3H5M        T   6  -2.318   5.534  -3.158
  784    H6     T   6           H6         T   6  -5.773   4.786  -2.171
  785   1H5*    G   7          1H5*        G   7 -11.559   0.949  -4.754
  786   2H5*    G   7          2H5*        G   7 -11.889  -0.774  -4.475
  787    H4*    G   7           H4*        G   7 -11.720  -0.235  -6.865
  788    H3*    G   7           H3*        G   7 -10.354  -2.410  -5.655
  789   1H2*    G   7          1H2*        G   7  -8.281  -1.484  -5.721
  790   2H2*    G   7          2H2*        G   7  -8.232  -2.179  -7.346
  791    H1*    G   7           H1*        G   7  -8.855  -0.108  -8.383
  792    H8     G   7           H8         G   7  -7.604   0.526  -4.763
  793    H1     G   7           H1         G   7  -3.662   2.802  -9.288
  794   1H2     G   7           H21        G   7  -4.549   2.394 -11.346
  795   2H2     G   7           H22        G   7  -6.084   1.562 -11.481
  796   1H5*    G   8          1H5*        G   8  -9.813  -1.613 -10.071
  797   2H5*    G   8          2H5*        G   8 -10.155  -3.066 -11.026
  798    H4*    G   8           H4*        G   8  -8.277  -1.955 -12.045
  799    H3*    G   8           H3*        G   8  -7.997  -4.625 -10.905
  800   1H2*    G   8          1H2*        G   8  -6.350  -3.951  -9.448
  801   2H2*    G   8          2H2*        G   8  -5.274  -4.183 -10.839
  802    H1*    G   8           H1*        G   8  -5.549  -1.838 -11.504
  803    H8     G   8           H8         G   8  -6.024  -2.362  -7.679
  804    H1     G   8           H1         G   8  -0.713   0.903  -9.274
  805   1H2     G   8           H21        G   8  -0.505   0.856 -11.583
  806   2H2     G   8           H22        G   8  -1.772   0.143 -12.565
  807   1H5*    G   9          1H5*        G   9  -4.953  -3.258 -14.350
  808   2H5*    G   9          2H5*        G   9  -4.809  -4.693 -15.385
  809    H4*    G   9           H4*        G   9  -2.651  -3.747 -15.298
  810    H3*    G   9           H3*        G   9  -3.051  -6.408 -14.332
  811   1H2*    G   9          1H2*        G   9  -2.808  -5.555 -12.062
  812   2H2*    G   9          2H2*        G   9  -1.161  -6.144 -12.407
  813    H1*    G   9           H1*        G   9  -0.576  -3.884 -13.250
  814    H8     G   9           H8         G   9  -2.968  -4.250 -10.170
  815    H1     G   9           H1         G   9   2.405  -0.955  -9.009
  816   1H2     G   9           H21        G   9   3.550  -0.675 -11.019
  817   2H2     G   9           H22        G   9   2.901  -1.338 -12.507
  818   1H5*    A  10          1H5*        A  10   0.578  -4.856 -16.662
  819   2H5*    A  10          2H5*        A  10   1.261  -6.176 -17.630
  820    H4*    A  10           H4*        A  10   2.862  -4.328 -17.157
  821    H3*    A  10           H3*        A  10   3.474  -7.032 -17.011
  822   1H2*    A  10          1H2*        A  10   3.279  -7.221 -14.672
  823   2H2*    A  10          2H2*        A  10   5.003  -6.799 -14.760
  824    H1*    A  10           H1*        A  10   4.585  -4.495 -14.337
  825    H8     A  10           H8         A  10   1.559  -6.658 -13.123
  826   1H6     A  10           H61        A  10   2.599  -4.275  -7.545
  827   2H6     A  10           H62        A  10   1.608  -5.337  -8.536
  828    H2     A  10           H2         A  10   5.725  -2.664 -10.329
  829   1H5*    G  11          1H5*        G  11   6.871  -4.146 -15.732
  830   2H5*    G  11          2H5*        G  11   8.455  -4.657 -16.350
  831    H4*    G  11           H4*        G  11   8.592  -3.912 -14.019
  832    H3*    G  11           H3*        G  11   9.515  -6.533 -14.880
  833   1H2*    G  11          1H2*        G  11   8.027  -7.605 -13.398
  834   2H2*    G  11          2H2*        G  11   9.346  -7.307 -12.235
  835    H1*    G  11           H1*        G  11   8.357  -5.124 -11.653
  836    H8     G  11           H8         G  11   5.491  -7.620 -12.649
  837    H1     G  11           H1         G  11   5.875  -6.251  -6.402
  838   1H2     G  11           H21        G  11   7.999  -5.306  -6.015
  839   2H2     G  11           H22        G  11   8.971  -4.815  -7.396
  840   1H5*    A  12          1H5*        A  12  11.093  -4.099 -11.062
  841   2H5*    A  12          2H5*        A  12  12.856  -4.211 -11.225
  842    H4*    A  12           H4*        A  12  12.258  -3.916  -8.900
  843    H3*    A  12           H3*        A  12  13.977  -5.955  -9.804
  844   1H2*    A  12          1H2*        A  12  12.385  -7.675  -9.560
  845   2H2*    A  12          2H2*        A  12  13.130  -7.756  -7.943
  846    H1*    A  12           H1*        A  12  11.448  -6.301  -7.009
  847    H8     A  12           H8         A  12  10.021  -7.999 -10.237
  848   1H6     A  12           H61        A  12   5.542 -10.026  -6.509
  849   2H6     A  12           H62        A  12   6.152  -9.969  -8.166
  850    H2     A  12           H2         A  12   8.663  -8.111  -3.980
  851   1H5*    C  13          1H5*        C  13  13.397  -5.394  -5.120
  852   2H5*    C  13          2H5*        C  13  14.986  -5.551  -4.340
  853    H4*    C  13           H4*        C  13  13.218  -6.601  -2.988
  854    H3*    C  13           H3*        C  13  15.553  -8.096  -3.991
  855   1H2*    C  13          1H2*        C  13  14.280  -9.846  -4.732
  856   2H2*    C  13          2H2*        C  13  14.058 -10.265  -3.017
  857    H1*    C  13           H1*        C  13  12.045  -8.952  -2.858
  858   1H4     C  13           H41        C  13   9.088 -12.054  -8.005
  859   2H4     C  13           H42        C  13   8.173 -12.429  -6.563
  860    H5     C  13           H5         C  13  11.196 -10.787  -7.933
  861    H6     C  13           H6         C  13  12.668  -9.524  -6.494
  862   1H5*    C  14          1H5*        C  14  13.574  -9.377  -0.018
  863   2H5*    C  14          2H5*        C  14  14.709 -10.115   1.132
  864    H4*    C  14           H4*        C  14  12.626 -11.454   0.789
  865    H3*    C  14           H3*        C  14  15.287 -12.639   0.065
  866   1H2*    C  14          1H2*        C  14  14.326 -14.029  -1.405
  867   2H2*    C  14          2H2*        C  14  13.220 -14.671  -0.162
  868    H1*    C  14           H1*        C  14  11.539 -13.113  -0.599
  869   1H4     C  14           H41        C  14  11.933 -14.045  -7.234
  870   2H4     C  14           H42        C  14  10.427 -14.760  -6.691
  871    H5     C  14           H5         C  14  13.534 -13.015  -5.670
  872    H6     C  14           H6         C  14  13.926 -12.494  -3.307
  873   1H5*    G  15          1H5*        G  15  12.181 -15.066   2.405
  874   2H5*    G  15          2H5*        G  15  12.919 -16.247   3.508
  875    H4*    G  15           H4*        G  15  11.105 -17.255   2.181
  876    H3*    G  15           H3*        G  15  13.864 -18.327   2.054
  877   1H2*    G  15          1H2*        G  15  13.818 -18.438  -0.238
  878   2H2*    G  15          2H2*        G  15  12.723 -19.834  -0.006
  879    H1*    G  15           H1*        G  15  10.770 -18.408  -0.116
  880    H8     G  15           H8         G  15  13.805 -16.872  -2.056
  881    H1     G  15           H1         G  15   8.712 -18.306  -5.694
  882   1H2     G  15           H21        G  15   7.076 -19.228  -4.335
  883   2H2     G  15           H22        G  15   7.344 -19.373  -2.609
  884    H3T    G  15           H3T        G  15  12.193 -19.220   3.319
  885   1H5*    C  16          1H5*        C  16   4.586 -24.313 -10.219
  886   2H5*    C  16          2H5*        C  16   2.831 -24.112 -10.028
  887    H4*    C  16           H4*        C  16   4.097 -23.347  -8.023
  888    H3*    C  16           H3*        C  16   2.390 -21.446  -9.592
  889   1H2*    C  16          1H2*        C  16   3.737 -19.708  -9.112
  890   2H2*    C  16          2H2*        C  16   3.392 -19.916  -7.375
  891    H1*    C  16           H1*        C  16   5.208 -21.421  -7.084
  892   1H4     C  16           H41        C  16   9.602 -17.044  -9.568
  893   2H4     C  16           H42        C  16   9.768 -17.050  -7.821
  894    H5     C  16           H5         C  16   7.840 -18.343 -10.714
  895    H6     C  16           H6         C  16   6.035 -19.912 -10.377
  896    H5T    C  16           H5T        C  16   4.537 -22.210 -11.250
  897   1H5*    G  17          1H5*        G  17   2.371 -21.082  -5.048
  898   2H5*    G  17          2H5*        G  17   0.748 -20.673  -4.458
  899    H4*    G  17           H4*        G  17   2.348 -19.181  -3.453
  900    H3*    G  17           H3*        G  17   0.236 -18.074  -5.155
  901   1H2*    G  17          1H2*        G  17   1.871 -17.030  -6.503
  902   2H2*    G  17          2H2*        G  17   1.825 -15.787  -5.220
  903    H1*    G  17           H1*        G  17   3.545 -16.998  -3.944
  904    H8     G  17           H8         G  17   3.849 -16.998  -7.819
  905    H1     G  17           H1         G  17   9.023 -14.932  -4.596
  906   1H2     G  17           H21        G  17   8.607 -15.241  -2.325
  907   2H2     G  17           H22        G  17   7.070 -15.894  -1.804
  908   1H5*    G  18          1H5*        G  18   1.175 -17.005  -0.727
  909   2H5*    G  18          2H5*        G  18  -0.195 -16.133  -0.013
  910    H4*    G  18           H4*        G  18   1.916 -15.665   1.168
  911    H3*    G  18           H3*        G  18   0.130 -13.690   0.330
  912   1H2*    G  18          1H2*        G  18   1.368 -13.017  -1.539
  913   2H2*    G  18          2H2*        G  18   2.104 -11.929  -0.344
  914    H1*    G  18           H1*        G  18   3.964 -13.387   0.012
  915    H8     G  18           H8         G  18   2.254 -14.305  -3.381
  916    H1     G  18           H1         G  18   8.193 -11.942  -4.026
  917   1H2     G  18           H21        G  18   9.043 -11.499  -1.930
  918   2H2     G  18           H22        G  18   8.122 -11.911  -0.496
  919   1H5*    T  19          1H5*        T  19   3.929 -12.234   2.726
  920   2H5*    T  19          2H5*        T  19   3.462 -10.973   3.887
  921    H4*    T  19           H4*        T  19   5.651 -10.508   2.810
  922    H3*    T  19           H3*        T  19   3.429  -8.636   2.860
  923   1H2*    T  19          1H2*        T  19   3.358  -8.424   0.585
  924   2H2*    T  19          2H2*        T  19   4.753  -7.356   0.772
  925    H1*    T  19           H1*        T  19   6.333  -9.168   0.481
  926    H3     T  19           H3         T  19   6.392  -9.304  -4.132
  927   1H5M    T  19          1H5M        T  19   1.425 -10.709  -2.463
  928   2H5M    T  19          2H5M        T  19   1.551  -9.443  -3.702
  929   3H5M    T  19          3H5M        T  19   2.043 -11.118  -4.079
  930    H6     T  19           H6         T  19   2.999 -10.043  -0.849
  931   1H5*    C  20          1H5*        C  20   7.645  -7.431   2.017
  932   2H5*    C  20          2H5*        C  20   8.215  -5.860   2.618
  933    H4*    C  20           H4*        C  20   8.893  -6.424   0.253
  934    H3*    C  20           H3*        C  20   7.564  -3.908   1.050
  935   1H2*    C  20          1H2*        C  20   6.106  -4.026  -0.711
  936   2H2*    C  20          2H2*        C  20   7.489  -3.602  -1.752
  937    H1*    C  20           H1*        C  20   8.036  -5.936  -2.072
  938   1H4     C  20           H41        C  20   2.014  -6.994  -4.837
  939   2H4     C  20           H42        C  20   3.225  -6.946  -6.109
  940    H5     C  20           H5         C  20   2.644  -6.629  -2.461
  941    H6     C  20           H6         C  20   4.482  -6.101  -0.987
  942   1H5*    T  21          1H5*        T  21  10.532  -4.174  -2.597
  943   2H5*    T  21          2H5*        T  21  11.654  -2.805  -2.440
  944    H4*    T  21           H4*        T  21  11.174  -3.163  -4.785
  945    H3*    T  21           H3*        T  21  10.622  -0.657  -3.451
  946   1H2*    T  21          1H2*        T  21   8.356  -0.736  -3.918
  947   2H2*    T  21          2H2*        T  21   8.860  -0.069  -5.490
  948    H1*    T  21           H1*        T  21   9.088  -2.291  -6.440
  949    H3     T  21           H3         T  21   4.826  -3.225  -7.781
  950   1H5M    T  21          1H5M        T  21   4.812  -3.229  -2.394
  951   2H5M    T  21          2H5M        T  21   3.801  -1.944  -3.088
  952   3H5M    T  21          3H5M        T  21   3.373  -3.645  -3.343
  953    H6     T  21           H6         T  21   6.798  -2.339  -3.499
  954   1H5*    C  22          1H5*        C  22  10.835  -0.349  -8.109
  955   2H5*    C  22          2H5*        C  22  11.378   1.260  -8.628
  956    H4*    C  22           H4*        C  22   9.292   0.577  -9.733
  957    H3*    C  22           H3*        C  22   9.133   2.919  -7.840
  958   1H2*    C  22          1H2*        C  22   6.892   2.688  -7.684
  959   2H2*    C  22          2H2*        C  22   6.693   2.621  -9.442
  960    H1*    C  22           H1*        C  22   6.960   0.325  -9.591
  961   1H4     C  22           H41        C  22   2.444  -0.535  -4.697
  962   2H4     C  22           H42        C  22   1.684  -0.888  -6.239
  963    H5     C  22           H5         C  22   4.782   0.305  -4.586
  964    H6     C  22           H6         C  22   6.748   0.791  -5.908
  965   1H5*    C  23          1H5*        C  23   7.486   3.029 -12.069
  966   2H5*    C  23          2H5*        C  23   7.274   4.651 -12.765
  967    H4*    C  23           H4*        C  23   5.303   3.237 -13.091
  968    H3*    C  23           H3*        C  23   4.911   5.557 -11.177
  969   1H2*    C  23          1H2*        C  23   2.773   4.864 -10.851
  970   2H2*    C  23          2H2*        C  23   2.573   4.229 -12.516
  971    H1*    C  23           H1*        C  23   3.283   2.173 -12.039
  972   1H4     C  23           H41        C  23   1.054   2.138  -5.703
  973   2H4     C  23           H42        C  23  -0.181   1.392  -6.698
  974    H5     C  23           H5         C  23   3.055   3.192  -6.691
  975    H6     C  23           H6         C  23   4.248   3.574  -8.764
  976   1H5*    C  24          1H5*        C  24   2.829   4.541 -14.922
  977   2H5*    C  24          2H5*        C  24   2.418   5.937 -15.935
  978    H4*    C  24           H4*        C  24   0.694   4.180 -16.069
  979    H3*    C  24           H3*        C  24   0.214   6.946 -15.357
  980   1H2*    C  24          1H2*        C  24  -0.811   6.522 -13.399
  981   2H2*    C  24          2H2*        C  24  -2.231   6.042 -14.372
  982    H1*    C  24           H1*        C  24  -1.679   3.735 -14.248
  983   1H4     C  24           H41        C  24  -0.606   4.232  -7.629
  984   2H4     C  24           H42        C  24  -2.166   3.484  -7.776
  985    H5     C  24           H5         C  24   0.657   4.992  -9.504
  986    H6     C  24           H6         C  24   0.687   5.299 -11.889
  987   1H5*    A  25          1H5*        A  25  -3.335   4.475 -16.623
  988   2H5*    A  25          2H5*        A  25  -4.307   5.281 -17.874
  989    H4*    A  25           H4*        A  25  -5.750   4.259 -16.171
  990    H3*    A  25           H3*        A  25  -5.861   7.034 -16.930
  991   1H2*    A  25          1H2*        A  25  -5.275   7.827 -14.847
  992   2H2*    A  25          2H2*        A  25  -6.997   7.598 -14.470
  993    H1*    A  25           H1*        A  25  -6.590   5.404 -13.543
  994    H8     A  25           H8         A  25  -3.479   7.766 -13.422
  995   1H6     A  25           H61        A  25  -3.107   6.411  -7.428
  996   2H6     A  25           H62        A  25  -2.403   7.248  -8.808
  997    H2     A  25           H2         A  25  -6.783   4.415  -9.061
  998   1H5*    T  26          1H5*        T  26  -9.198   5.090 -14.610
  999   2H5*    T  26          2H5*        T  26 -10.841   5.701 -14.900
 1000    H4*    T  26           H4*        T  26 -10.284   5.464 -12.490
 1001    H3*    T  26           H3*        T  26 -10.898   8.196 -13.618
 1002   1H2*    T  26          1H2*        T  26  -9.844   9.205 -11.903
 1003   2H2*    T  26          2H2*        T  26 -10.770   8.261 -10.708
 1004    H1*    T  26           H1*        T  26  -9.252   6.529 -10.601
 1005    H3     T  26           H3         T  26  -6.007   8.461  -8.071
 1006   1H5M    T  26          1H5M        T  26  -5.342  10.128 -13.189
 1007   2H5M    T  26          2H5M        T  26  -5.349  11.416 -11.964
 1008   3H5M    T  26          3H5M        T  26  -4.049  10.212 -11.981
 1009    H6     T  26           H6         T  26  -7.371   9.006 -12.632
 1010   1H5*    C  27          1H5*        C  27 -12.597   6.179 -10.039
 1011   2H5*    C  27          2H5*        C  27 -14.274   6.561  -9.596
 1012    H4*    C  27           H4*        C  27 -12.740   6.406  -7.636
 1013    H3*    C  27           H3*        C  27 -14.519   8.615  -8.184
 1014   1H2*    C  27          1H2*        C  27 -12.811  10.177  -8.297
 1015   2H2*    C  27          2H2*        C  27 -12.908  10.147  -6.520
 1016    H1*    C  27           H1*        C  27 -11.237   8.406  -6.376
 1017   1H4     C  27           H41        C  27  -6.817  12.373  -9.554
 1018   2H4     C  27           H42        C  27  -6.159  11.996  -7.981
 1019    H5     C  27           H5         C  27  -9.008  11.502 -10.315
 1020    H6     C  27           H6         C  27 -10.939  10.223  -9.648
 1021   1H5*    C  28          1H5*        C  28 -12.901   8.473  -3.816
 1022   2H5*    C  28          2H5*        C  28 -14.168   8.987  -2.680
 1023    H4*    C  28           H4*        C  28 -12.107  10.212  -2.237
 1024    H3*    C  28           H3*        C  28 -14.351  11.834  -3.472
 1025   1H2*    C  28          1H2*        C  28 -12.943  13.509  -3.952
 1026   2H2*    C  28          2H2*        C  28 -12.147  13.440  -2.350
 1027    H1*    C  28           H1*        C  28 -10.560  11.958  -2.975
 1028   1H4     C  28           H41        C  28  -9.190  14.440  -9.019
 1029   2H4     C  28           H42        C  28  -7.859  14.868  -7.972
 1030    H5     C  28           H5         C  28 -11.220  13.303  -8.202
 1031    H6     C  28           H6         C  28 -12.277  12.349  -6.227
 1032   1H5*    A  29          1H5*        A  29 -12.259  12.848   0.447
 1033   2H5*    A  29          2H5*        A  29 -13.366  13.574   1.628
 1034    H4*    A  29           H4*        A  29 -11.087  14.579   1.633
 1035    H3*    A  29           H3*        A  29 -13.500  16.014   1.743
 1036   1H2*    A  29          1H2*        A  29 -13.428  16.750  -0.467
 1037   2H2*    A  29          2H2*        A  29 -12.502  18.093   0.240
 1038    H1*    A  29           H1*        A  29 -10.400  17.039  -0.238
 1039    H8     A  29           H8         A  29 -13.363  16.103  -2.603
 1040   1H6     A  29           H61        A  29  -9.443  17.140  -7.263
 1041   2H6     A  29           H62        A  29 -11.078  16.702  -6.780
 1042    H2     A  29           H2         A  29  -7.273  17.939  -3.419
 1043   1H5*    A  30          1H5*        A  30  -9.330  18.325   2.613
 1044   2H5*    A  30          2H5*        A  30  -9.649  19.718   3.667
 1045    H4*    A  30           H4*        A  30  -8.040  20.329   1.922
 1046    H3*    A  30           H3*        A  30 -10.806  21.535   1.413
 1047   1H2*    A  30          1H2*        A  30  -9.850  22.657  -0.403
 1048   2H2*    A  30          2H2*        A  30  -8.210  22.580   0.297
 1049    H1*    A  30           H1*        A  30  -7.771  20.653  -0.779
 1050    H8     A  30           H8         A  30 -11.572  19.924  -1.085
 1051   1H6     A  30           H61        A  30 -10.594  20.025  -7.171
 1052   2H6     A  30           H62        A  30 -11.752  19.773  -5.867
 1053    H2     A  30           H2         A  30  -6.845  21.429  -5.161
 1054    H3T    A  30           H3T        A  30  -9.771  22.202   3.341
   
  No H/Q in entry =        1054
  Start of MODEL    2
    1    H    MET   1           H        MET   1   4.086 -21.450 -11.726
    2    HA   MET   1           HA       MET   1   3.805 -21.062 -13.915
    3   1HB   MET   1          2HB       MET   1   4.842 -23.357 -14.278
    4   2HB   MET   1          3HB       MET   1   3.202 -24.024 -14.299
    5   1HG   MET   1          2HG       MET   1   3.938 -23.712 -16.563
    6   2HG   MET   1          3HG       MET   1   2.689 -22.509 -16.254
    7   1HE   MET   1          2HE       MET   1   4.457 -22.367 -18.801
    8   2HE   MET   1          3HE       MET   1   3.274 -21.108 -18.359
    9   3HE   MET   1          1HE       MET   1   4.931 -20.652 -18.818
   10    H    LYS  11           H        LYS  11   1.525 -22.962 -12.102
   11    HA   LYS  11           HA       LYS  11  -0.773 -22.508 -13.781
   12   1HB   LYS  11          2HB       LYS  11  -0.625 -24.406 -12.261
   13   2HB   LYS  11          3HB       LYS  11  -0.592 -23.322 -10.858
   14   1HG   LYS  11          2HG       LYS  11  -2.857 -22.496 -11.412
   15   2HG   LYS  11          3HG       LYS  11  -2.866 -23.479 -12.889
   16   1HD   LYS  11          2HD       LYS  11  -2.764 -25.548 -11.541
   17   2HD   LYS  11          3HD       LYS  11  -2.590 -24.594 -10.058
   18   1HE   LYS  11          2HE       LYS  11  -4.898 -25.387 -10.292
   19   2HE   LYS  11          3HE       LYS  11  -4.837 -23.619 -10.372
   20   1HZ   LYS  11          3HZ       LYS  11  -5.010 -25.424 -12.686
   21   2HZ   LYS  11          1HZ       LYS  11  -6.260 -24.567 -12.040
   22   3HZ   LYS  11          2HZ       LYS  11  -4.998 -23.776 -12.744
   23    H    ARG  12           H        ARG  12  -1.194 -20.372 -14.222
   24    HA   ARG  12           HA       ARG  12  -1.220 -18.295 -12.185
   25   1HB   ARG  12          2HB       ARG  12  -2.296 -18.525 -15.015
   26   2HB   ARG  12          3HB       ARG  12  -2.755 -17.176 -13.980
   27   1HG   ARG  12          2HG       ARG  12  -0.926 -16.526 -15.426
   28   2HG   ARG  12          3HG       ARG  12  -0.468 -16.449 -13.722
   29   1HD   ARG  12          2HD       ARG  12   0.729 -18.600 -13.932
   30   2HD   ARG  12          3HD       ARG  12   0.243 -18.706 -15.640
   31    HE   ARG  12           HE       ARG  12   1.591 -16.232 -15.165
   32   1HH1  ARG  12          1HH1      ARG  12   2.195 -19.708 -15.283
   33   2HH1  ARG  12          2HH1      ARG  12   3.832 -19.572 -15.855
   34   1HH2  ARG  12          2HH2      ARG  12   3.796 -16.004 -15.781
   35   2HH2  ARG  12          1HH2      ARG  12   4.784 -17.412 -16.060
   36    H    TYR  13           H        TYR  13  -3.126 -17.411 -11.161
   37    HA   TYR  13           HA       TYR  13  -5.325 -19.353 -10.778
   38   1HB   TYR  13          2HB       TYR  13  -4.870 -16.554  -9.662
   39   2HB   TYR  13          3HB       TYR  13  -6.244 -17.605  -9.315
   40    HD1  TYR  13           HD1      TYR  13  -2.568 -17.235  -8.866
   41    HD2  TYR  13           HD2      TYR  13  -6.168 -19.262  -7.638
   42    HE1  TYR  13           HE1      TYR  13  -1.463 -17.922  -6.771
   43    HE2  TYR  13           HE2      TYR  13  -5.076 -19.908  -5.515
   44    HH   TYR  13           HH       TYR  13  -1.756 -18.956  -4.668
   45    H    ILE  14           H        ILE  14  -7.265 -19.144 -11.876
   46    HA   ILE  14           HA       ILE  14  -7.455 -16.992 -13.923
   47    HB   ILE  14           HB       ILE  14  -8.632 -19.788 -13.978
   48   1HG1  ILE  14          2HG1      ILE  14  -6.080 -18.557 -15.070
   49   2HG1  ILE  14          3HG1      ILE  14  -6.271 -20.043 -14.128
   50   1HG2  ILE  14          1HG2      ILE  14  -9.906 -18.072 -15.294
   51   2HG2  ILE  14          2HG2      ILE  14  -8.400 -17.656 -16.144
   52   3HG2  ILE  14          3HG2      ILE  14  -9.136 -19.264 -16.321
   53   1HD1  ILE  14          1HD1      ILE  14  -7.433 -21.052 -16.140
   54   2HD1  ILE  14          2HD1      ILE  14  -6.964 -19.578 -17.042
   55   3HD1  ILE  14          3HD1      ILE  14  -5.719 -20.637 -16.369
   56    H    CYS  15           H        CYS  15  -9.293 -15.870 -14.173
   57    HA   CYS  15           HA       CYS  15 -10.964 -15.398 -11.912
   58   1HB   CYS  15          2HB       CYS  15 -10.443 -13.663 -13.397
   59   2HB   CYS  15          3HB       CYS  15 -10.964 -14.577 -14.812
   60    H    SER  16           H        SER  16 -12.694 -16.505 -11.217
   61    HA   SER  16           HA       SER  16 -13.582 -18.928 -12.192
   62   1HB   SER  16          2HB       SER  16 -15.595 -18.352 -10.657
   63   2HB   SER  16          3HB       SER  16 -13.972 -18.345  -9.946
   64    HG   SER  16           HG       SER  16 -15.569 -16.123 -10.649
   65    H    PHE  17           H        PHE  17 -14.786 -15.696 -12.952
   66    HA   PHE  17           HA       PHE  17 -17.152 -16.591 -14.372
   67   1HB   PHE  17          2HB       PHE  17 -15.757 -13.899 -14.445
   68   2HB   PHE  17          3HB       PHE  17 -17.407 -14.249 -14.930
   69    HD1  PHE  17           HD2      PHE  17 -19.097 -14.995 -13.166
   70    HD2  PHE  17           HD1      PHE  17 -15.178 -13.528 -12.108
   71    HE1  PHE  17           HE2      PHE  17 -19.773 -14.876 -10.786
   72    HE2  PHE  17           HE1      PHE  17 -15.819 -13.543  -9.726
   73    HZ   PHE  17           HZ       PHE  17 -18.131 -14.180  -9.056
   74    H    ALA  18           H        ALA  18 -15.662 -18.191 -15.489
   75    HA   ALA  18           HA       ALA  18 -13.818 -18.354 -17.166
   76   1HB   ALA  18          1HB       ALA  18 -15.554 -20.049 -17.027
   77   2HB   ALA  18          2HB       ALA  18 -16.637 -19.086 -18.051
   78   3HB   ALA  18          3HB       ALA  18 -15.132 -19.750 -18.724
   79    H    ASP  19           H        ASP  19 -16.737 -16.962 -18.718
   80    HA   ASP  19           HA       ASP  19 -15.781 -16.264 -21.169
   81   1HB   ASP  19          2HB       ASP  19 -17.659 -14.594 -19.440
   82   2HB   ASP  19          3HB       ASP  19 -17.513 -14.511 -21.201
   83    H    CYS  20           H        CYS  20 -15.263 -14.429 -18.180
   84    HA   CYS  20           HA       CYS  20 -14.262 -12.017 -19.205
   85   1HB   CYS  20          2HB       CYS  20 -14.964 -12.590 -16.848
   86   2HB   CYS  20          3HB       CYS  20 -13.438 -13.472 -16.679
   87    H    GLY  21           H        GLY  21 -12.667 -15.163 -18.742
   88   1HA   GLY  21          2HA       GLY  21 -10.619 -15.967 -19.275
   89   2HA   GLY  21          3HA       GLY  21 -10.637 -14.784 -20.589
   90    H    ALA  22           H        ALA  22 -10.592 -13.844 -17.156
   91    HA   ALA  22           HA       ALA  22  -7.971 -12.520 -17.568
   92   1HB   ALA  22          3HB       ALA  22  -9.805 -11.213 -16.589
   93   2HB   ALA  22          1HB       ALA  22  -9.929 -12.373 -15.247
   94   3HB   ALA  22          2HB       ALA  22  -8.456 -11.412 -15.449
   95    H    ALA  23           H        ALA  23  -6.105 -13.068 -16.327
   96    HA   ALA  23           HA       ALA  23  -6.283 -15.118 -14.281
   97   1HB   ALA  23          2HB       ALA  23  -6.244 -16.480 -16.359
   98   2HB   ALA  23          3HB       ALA  23  -4.791 -15.615 -16.899
   99   3HB   ALA  23          1HB       ALA  23  -4.720 -16.650 -15.456
  100    H    TYR  24           H        TYR  24  -4.417 -15.074 -12.934
  101    HA   TYR  24           HA       TYR  24  -2.105 -13.449 -13.715
  102   1HB   TYR  24          2HB       TYR  24  -3.572 -12.681 -11.177
  103   2HB   TYR  24          3HB       TYR  24  -2.188 -11.895 -11.911
  104    HD1  TYR  24           HD2      TYR  24  -5.812 -12.553 -12.251
  105    HD2  TYR  24           HD1      TYR  24  -2.556 -10.024 -13.495
  106    HE1  TYR  24           HE2      TYR  24  -7.418 -11.017 -13.315
  107    HE2  TYR  24           HE1      TYR  24  -4.160  -8.448 -14.486
  108    HH   TYR  24           HH       TYR  24  -6.394  -7.928 -14.814
  109    H    ASN  25           H        ASN  25  -0.287 -13.864 -12.232
  110    HA   ASN  25           HA       ASN  25  -0.500 -16.544 -11.056
  111   1HB   ASN  25          2HB       ASN  25   1.858 -16.406 -10.735
  112   2HB   ASN  25          3HB       ASN  25   1.438 -16.076 -12.423
  113   1HD2  ASN  25          1HD2      ASN  25   4.075 -13.671 -11.294
  114   2HD2  ASN  25          2HD2      ASN  25   3.937 -15.425 -11.403
  115    H    LYS  26           H        LYS  26   0.067 -13.215  -9.873
  116    HA   LYS  26           HA       LYS  26   0.539 -14.133  -7.177
  117   1HB   LYS  26          2HB       LYS  26  -0.431 -11.370  -7.928
  118   2HB   LYS  26          3HB       LYS  26   0.447 -11.890  -6.495
  119   1HG   LYS  26          2HG       LYS  26   1.551 -11.746  -9.334
  120   2HG   LYS  26          3HG       LYS  26   1.803 -10.597  -8.029
  121   1HD   LYS  26          2HD       LYS  26   2.928 -12.401  -6.677
  122   2HD   LYS  26          3HD       LYS  26   2.726 -13.512  -8.039
  123   1HE   LYS  26          2HE       LYS  26   4.982 -12.577  -8.028
  124   2HE   LYS  26          3HE       LYS  26   4.102 -12.029  -9.467
  125   1HZ   LYS  26          2HZ       LYS  26   3.697  -9.948  -8.312
  126   2HZ   LYS  26          3HZ       LYS  26   4.556 -10.479  -7.006
  127   3HZ   LYS  26          1HZ       LYS  26   5.296 -10.250  -8.460
  128    H    ASN  27           H        ASN  27  -0.955 -15.027  -5.898
  129    HA   ASN  27           HA       ASN  27  -3.679 -15.345  -6.286
  130   1HB   ASN  27          2HB       ASN  27  -2.298 -16.514  -4.587
  131   2HB   ASN  27          3HB       ASN  27  -2.209 -15.042  -3.621
  132   1HD2  ASN  27          1HD2      ASN  27  -5.321 -17.486  -3.054
  133   2HD2  ASN  27          2HD2      ASN  27  -3.849 -17.973  -3.879
  134    H    TRP  28           H        TRP  28  -2.179 -12.775  -4.246
  135    HA   TRP  28           HA       TRP  28  -4.491 -11.371  -3.495
  136   1HB   TRP  28          2HB       TRP  28  -3.121  -9.541  -3.019
  137   2HB   TRP  28          3HB       TRP  28  -2.218 -10.990  -2.609
  138    HD1  TRP  28           HD1      TRP  28   0.127 -11.255  -3.723
  139    HE1  TRP  28           HE1      TRP  28   1.551  -9.880  -5.338
  140    HE3  TRP  28           HE3      TRP  28  -3.367  -7.783  -5.148
  141    HZ2  TRP  28           HZ2      TRP  28   1.194  -7.646  -7.132
  142    HZ3  TRP  28           HZ3      TRP  28  -2.795  -6.056  -6.819
  143    HH2  TRP  28           HH2      TRP  28  -0.554  -5.993  -7.846
  144    H    LYS  29           H        LYS  29  -2.609 -11.157  -6.575
  145    HA   LYS  29           HA       LYS  29  -4.060  -8.872  -7.456
  146   1HB   LYS  29          2HB       LYS  29  -1.797  -9.319  -8.288
  147   2HB   LYS  29          3HB       LYS  29  -2.324 -10.871  -8.962
  148   1HG   LYS  29          2HG       LYS  29  -2.082  -9.259 -10.726
  149   2HG   LYS  29          3HG       LYS  29  -3.730  -9.829 -10.552
  150   1HD   LYS  29          2HD       LYS  29  -3.847  -7.519  -9.000
  151   2HD   LYS  29          3HD       LYS  29  -2.539  -7.103 -10.086
  152   1HE   LYS  29          2HE       LYS  29  -4.800  -6.371 -10.830
  153   2HE   LYS  29          3HE       LYS  29  -4.036  -7.468 -12.015
  154   1HZ   LYS  29          2HZ       LYS  29  -5.946  -8.361  -9.966
  155   2HZ   LYS  29          3HZ       LYS  29  -6.416  -7.811 -11.452
  156   3HZ   LYS  29          1HZ       LYS  29  -5.469  -9.155 -11.321
  157    H    LEU  30           H        LEU  30  -4.310 -12.391  -8.185
  158    HA   LEU  30           HA       LEU  30  -6.569 -12.004  -9.919
  159   1HB   LEU  30          2HB       LEU  30  -5.368 -13.950 -10.150
  160   2HB   LEU  30          3HB       LEU  30  -5.554 -14.432  -8.456
  161    HG   LEU  30           HG       LEU  30  -6.799 -15.660 -10.296
  162   1HD1  LEU  30          2HD1      LEU  30  -7.274 -15.901  -7.952
  163   2HD1  LEU  30          3HD1      LEU  30  -8.504 -14.615  -8.035
  164   3HD1  LEU  30          1HD1      LEU  30  -8.722 -16.120  -8.962
  165   1HD2  LEU  30          3HD2      LEU  30  -7.437 -13.848 -11.668
  166   2HD2  LEU  30          1HD2      LEU  30  -8.815 -14.858 -11.238
  167   3HD2  LEU  30          2HD2      LEU  30  -8.622 -13.275 -10.480
  168    H    GLN  31           H        GLN  31  -6.344 -12.307  -6.330
  169    HA   GLN  31           HA       GLN  31  -9.189 -12.354  -5.899
  170   1HB   GLN  31          2HB       GLN  31  -7.124 -10.975  -4.143
  171   2HB   GLN  31          3HB       GLN  31  -8.779 -11.379  -3.753
  172   1HG   GLN  31          2HG       GLN  31  -6.350 -13.082  -3.745
  173   2HG   GLN  31          3HG       GLN  31  -7.735 -13.099  -2.678
  174   1HE2  GLN  31          1HE2      GLN  31  -7.556 -15.677  -5.828
  175   2HE2  GLN  31          2HE2      GLN  31  -6.301 -14.466  -5.531
  176    H    ALA  32           H        ALA  32  -6.850  -9.661  -6.195
  177    HA   ALA  32           HA       ALA  32  -8.671  -7.546  -5.905
  178   1HB   ALA  32          3HB       ALA  32  -6.134  -7.402  -5.955
  179   2HB   ALA  32          1HB       ALA  32  -6.225  -7.540  -7.724
  180   3HB   ALA  32          2HB       ALA  32  -6.969  -6.154  -6.913
  181    H    HIS  33           H        HIS  33  -7.912  -9.522  -8.771
  182    HA   HIS  33           HA       HIS  33  -9.567  -7.924 -10.532
  183   1HB   HIS  33          2HB       HIS  33  -7.881  -9.446 -11.397
  184   2HB   HIS  33          3HB       HIS  33  -8.746 -10.832 -10.745
  185    HD1  HIS  33           HD1      HIS  33  -8.647  -8.585 -13.741
  186    HD2  HIS  33           HD2      HIS  33 -11.291 -11.282 -11.864
  187    HE1  HIS  33           HE1      HIS  33 -10.570  -8.998 -15.375
  188    H    LEU  34           H        LEU  34 -10.157 -11.067  -8.824
  189    HA   LEU  34           HA       LEU  34 -12.820 -11.434  -9.518
  190   1HB   LEU  34          2HB       LEU  34 -11.464 -12.082  -6.888
  191   2HB   LEU  34          3HB       LEU  34 -13.076 -12.632  -7.320
  192    HG   LEU  34           HG       LEU  34 -10.575 -13.345  -8.879
  193   1HD1  LEU  34          1HD1      LEU  34 -10.634 -14.354  -6.617
  194   2HD1  LEU  34          2HD1      LEU  34 -12.276 -14.954  -6.921
  195   3HD1  LEU  34          3HD1      LEU  34 -10.911 -15.586  -7.861
  196   1HD2  LEU  34          1HD2      LEU  34 -13.476 -14.229  -9.144
  197   2HD2  LEU  34          2HD2      LEU  34 -12.471 -13.436 -10.385
  198   3HD2  LEU  34          3HD2      LEU  34 -12.105 -15.084  -9.868
  199    H    SER  35           H        SER  35 -11.562  -9.277  -6.987
  200    HA   SER  35           HA       SER  35 -13.917  -8.685  -5.648
  201   1HB   SER  35          2HB       SER  35 -12.940  -6.715  -4.887
  202   2HB   SER  35          3HB       SER  35 -11.573  -7.820  -5.164
  203    HG   SER  35           HG       SER  35 -11.229  -6.706  -7.145
  204    H    LYS  36           H        LYS  36 -12.962  -7.563  -8.889
  205    HA   LYS  36           HA       LYS  36 -14.752  -5.443  -9.321
  206   1HB   LYS  36          2HB       LYS  36 -13.837  -7.689 -11.161
  207   2HB   LYS  36          3HB       LYS  36 -14.684  -6.239 -11.718
  208   1HG   LYS  36          2HG       LYS  36 -12.887  -4.804 -11.179
  209   2HG   LYS  36          3HG       LYS  36 -12.083  -6.010 -10.173
  210   1HD   LYS  36          2HD       LYS  36 -10.957  -5.672 -12.339
  211   2HD   LYS  36          3HD       LYS  36 -11.434  -7.345 -12.067
  212   1HE   LYS  36          2HE       LYS  36 -13.175  -5.478 -13.721
  213   2HE   LYS  36          3HE       LYS  36 -11.778  -6.314 -14.415
  214   1HZ   LYS  36          1HZ       LYS  36 -12.733  -8.402 -13.730
  215   2HZ   LYS  36          2HZ       LYS  36 -14.077  -7.637 -13.177
  216   3HZ   LYS  36          3HZ       LYS  36 -13.706  -7.584 -14.775
  217    H    HIS  37           H        HIS  37 -15.259  -8.957  -9.542
  218    HA   HIS  37           HA       HIS  37 -18.082  -8.640 -10.380
  219   1HB   HIS  37          2HB       HIS  37 -16.427 -11.123  -9.900
  220   2HB   HIS  37          3HB       HIS  37 -17.988 -11.035 -10.713
  221    HD1  HIS  37           HD1      HIS  37 -17.928 -10.156 -13.270
  222    HD2  HIS  37           HD2      HIS  37 -14.275 -10.828 -11.313
  223    HE1  HIS  37           HE1      HIS  37 -16.181 -10.568 -15.089
  224    H    THR  38           H        THR  38 -16.180 -10.165  -7.791
  225    HA   THR  38           HA       THR  38 -18.508 -11.115  -6.350
  226    HB   THR  38           HB       THR  38 -16.863 -11.997  -4.797
  227    HG1  THR  38          1HG       THR  38 -14.921 -10.649  -6.378
  228   1HG2  THR  38          2HG2      THR  38 -17.199 -13.252  -6.896
  229   2HG2  THR  38          3HG2      THR  38 -15.859 -12.362  -7.655
  230   3HG2  THR  38          1HG2      THR  38 -15.548 -13.422  -6.272
  231    H    GLY  39           H        GLY  39 -16.427  -8.249  -6.017
  232   1HA   GLY  39          2HA       GLY  39 -16.628  -6.468  -4.580
  233   2HA   GLY  39          3HA       GLY  39 -18.046  -7.207  -3.821
  234    H    GLU  40           H        GLU  40 -15.362  -9.423  -4.015
  235    HA   GLU  40           HA       GLU  40 -15.037  -9.387  -1.121
  236   1HB   GLU  40          2HB       GLU  40 -13.641 -10.858  -3.392
  237   2HB   GLU  40          3HB       GLU  40 -13.238 -11.096  -1.691
  238   1HG   GLU  40          2HG       GLU  40 -15.457 -11.903  -1.158
  239   2HG   GLU  40          3HG       GLU  40 -16.068 -11.474  -2.756
  240    H    LYS  41           H        LYS  41 -13.521  -8.258   0.023
  241    HA   LYS  41           HA       LYS  41 -11.101  -7.180  -1.380
  242   1HB   LYS  41          2HB       LYS  41 -12.677  -5.630   0.688
  243   2HB   LYS  41          3HB       LYS  41 -11.316  -5.114  -0.319
  244   1HG   LYS  41          2HG       LYS  41 -12.905  -5.738  -2.342
  245   2HG   LYS  41          3HG       LYS  41 -14.177  -5.732  -1.106
  246   1HD   LYS  41          2HD       LYS  41 -14.287  -3.559  -1.883
  247   2HD   LYS  41          3HD       LYS  41 -13.213  -3.396  -0.479
  248   1HE   LYS  41          2HE       LYS  41 -11.241  -3.577  -2.068
  249   2HE   LYS  41          3HE       LYS  41 -12.383  -3.633  -3.429
  250   1HZ   LYS  41          3HZ       LYS  41 -13.164  -1.461  -2.685
  251   2HZ   LYS  41          1HZ       LYS  41 -12.013  -1.470  -1.496
  252   3HZ   LYS  41          2HZ       LYS  41 -11.561  -1.443  -3.080
  253    HA   PRO  42           HA       PRO  42 -10.136 -10.314   1.853
  254   1HB   PRO  42          2HB       PRO  42  -7.528  -9.970   0.371
  255   2HB   PRO  42          3HB       PRO  42  -8.223 -11.466   1.053
  256   1HG   PRO  42          2HG       PRO  42  -8.444 -10.870  -1.580
  257   2HG   PRO  42          3HG       PRO  42  -9.859 -11.549  -0.705
  258   1HD   PRO  42          2HD       PRO  42  -9.304  -8.723  -1.533
  259   2HD   PRO  42          3HD       PRO  42 -10.842  -9.618  -1.492
  260    H    PHE  43           H        PHE  43  -8.442  -7.209   1.334
  261    HA   PHE  43           HA       PHE  43  -7.065  -7.534   3.977
  262   1HB   PHE  43          2HB       PHE  43  -6.322  -5.994   1.499
  263   2HB   PHE  43          3HB       PHE  43  -5.576  -5.770   3.068
  264    HD1  PHE  43           HD1      PHE  43  -4.228  -7.514   4.141
  265    HD2  PHE  43           HD2      PHE  43  -5.973  -8.216   0.245
  266    HE1  PHE  43           HE1      PHE  43  -2.838  -9.542   3.859
  267    HE2  PHE  43           HE2      PHE  43  -4.529 -10.173  -0.047
  268    HZ   PHE  43           HZ       PHE  43  -2.951 -10.855   1.752
  269    HA   PRO  44           HA       PRO  44 -10.224  -4.254   4.670
  270   1HB   PRO  44          2HB       PRO  44 -11.196  -5.060   7.069
  271   2HB   PRO  44          3HB       PRO  44 -11.704  -5.845   5.546
  272   1HG   PRO  44          2HG       PRO  44  -9.517  -6.762   7.448
  273   2HG   PRO  44          3HG       PRO  44 -10.886  -7.729   6.821
  274   1HD   PRO  44          2HD       PRO  44  -8.433  -7.802   5.669
  275   2HD   PRO  44          3HD       PRO  44  -9.922  -7.838   4.672
  276    H    CYS  45           H        CYS  45 -10.069  -2.490   6.132
  277    HA   CYS  45           HA       CYS  45  -7.412  -2.122   7.337
  278   1HB   CYS  45          2HB       CYS  45  -8.467  -0.430   5.924
  279   2HB   CYS  45          3HB       CYS  45  -9.786  -0.278   7.094
  280    H    LYS  46           H        LYS  46 -10.652  -2.906   8.419
  281    HA   LYS  46           HA       LYS  46 -11.501  -3.507  10.338
  282   1HB   LYS  46          2HB       LYS  46  -8.655  -3.676  11.353
  283   2HB   LYS  46          3HB       LYS  46 -10.058  -4.309  12.179
  284   1HG   LYS  46          2HG       LYS  46  -9.053  -5.177   9.438
  285   2HG   LYS  46          3HG       LYS  46  -8.842  -6.051  10.949
  286   1HD   LYS  46          2HD       LYS  46 -11.487  -5.600   9.477
  287   2HD   LYS  46          3HD       LYS  46 -10.569  -7.087   9.652
  288   1HE   LYS  46          2HE       LYS  46 -12.213  -7.411  11.223
  289   2HE   LYS  46          3HE       LYS  46 -10.897  -6.793  12.228
  290   1HZ   LYS  46          3HZ       LYS  46 -13.176  -5.252  11.171
  291   2HZ   LYS  46          1HZ       LYS  46 -13.006  -5.783  12.719
  292   3HZ   LYS  46          2HZ       LYS  46 -11.990  -4.633  12.128
  293    H    GLU  47           H        GLU  47  -9.272  -0.793  10.753
  294    HA   GLU  47           HA       GLU  47  -9.904   0.131  13.243
  295   1HB   GLU  47          2HB       GLU  47  -9.612   1.746  10.674
  296   2HB   GLU  47          3HB       GLU  47  -9.609   2.441  12.305
  297   1HG   GLU  47          2HG       GLU  47  -7.656   0.970  12.884
  298   2HG   GLU  47          3HG       GLU  47  -7.580   0.450  11.191
  299    H    GLU  48           H        GLU  48 -11.518   1.173  14.293
  300    HA   GLU  48           HA       GLU  48 -14.203   0.902  13.464
  301   1HB   GLU  48          2HB       GLU  48 -12.931   2.767  15.528
  302   2HB   GLU  48          3HB       GLU  48 -14.665   2.542  15.313
  303   1HG   GLU  48          2HG       GLU  48 -14.014   1.162  17.145
  304   2HG   GLU  48          3HG       GLU  48 -14.433   0.106  15.793
  305    H    GLY  49           H        GLY  49 -15.529   2.184  12.225
  306   1HA   GLY  49          2HA       GLY  49 -16.267   4.001  11.003
  307   2HA   GLY  49          3HA       GLY  49 -14.950   4.995  11.649
  308    H    CYS  50           H        CYS  50 -12.675   4.014  10.899
  309    HA   CYS  50           HA       CYS  50 -12.616   4.170   7.972
  310   1HB   CYS  50          2HB       CYS  50 -11.050   5.397   9.346
  311   2HB   CYS  50          3HB       CYS  50 -10.457   3.920  10.099
  312    H    GLU  51           H        GLU  51 -14.088   1.937   8.586
  313    HA   GLU  51           HA       GLU  51 -12.334  -0.413   8.578
  314   1HB   GLU  51          2HB       GLU  51 -14.684  -0.071   9.726
  315   2HB   GLU  51          3HB       GLU  51 -15.318  -0.550   8.147
  316   1HG   GLU  51          2HG       GLU  51 -13.447  -2.069  10.003
  317   2HG   GLU  51          3HG       GLU  51 -15.112  -2.488   9.606
  318    H    LYS  52           H        LYS  52 -11.394   0.801   6.583
  319    HA   LYS  52           HA       LYS  52 -12.821   0.645   4.079
  320   1HB   LYS  52          2HB       LYS  52  -9.816   0.649   4.513
  321   2HB   LYS  52          3HB       LYS  52 -10.667   1.094   3.034
  322   1HG   LYS  52          2HG       LYS  52 -10.859   2.606   5.691
  323   2HG   LYS  52          3HG       LYS  52  -9.751   3.001   4.387
  324   1HD   LYS  52          2HD       LYS  52 -11.544   3.577   2.878
  325   2HD   LYS  52          3HD       LYS  52 -12.771   2.883   3.948
  326   1HE   LYS  52          2HE       LYS  52 -12.767   5.341   4.066
  327   2HE   LYS  52          3HE       LYS  52 -12.422   4.584   5.627
  328   1HZ   LYS  52          1HZ       LYS  52 -10.099   5.015   5.249
  329   2HZ   LYS  52          2HZ       LYS  52 -10.435   5.746   3.802
  330   3HZ   LYS  52          3HZ       LYS  52 -10.975   6.408   5.209
  331    H    GLY  53           H        GLY  53 -12.128  -0.719   2.227
  332   1HA   GLY  53          2HA       GLY  53 -11.390  -3.520   2.979
  333   2HA   GLY  53          3HA       GLY  53 -12.703  -3.102   1.881
  334    H    PHE  54           H        PHE  54  -9.339  -3.684   2.116
  335    HA   PHE  54           HA       PHE  54  -8.878  -2.601  -0.635
  336   1HB   PHE  54          2HB       PHE  54  -7.028  -2.927   1.723
  337   2HB   PHE  54          3HB       PHE  54  -6.430  -2.819   0.080
  338    HD1  PHE  54           HD1      PHE  54  -6.768  -0.775  -1.297
  339    HD2  PHE  54           HD2      PHE  54  -8.190  -0.945   2.764
  340    HE1  PHE  54           HE1      PHE  54  -6.888   1.676  -1.249
  341    HE2  PHE  54           HE2      PHE  54  -8.400   1.527   2.771
  342    HZ   PHE  54           HZ       PHE  54  -7.878   2.828   0.733
  343    H    THR  55           H        THR  55  -7.743  -3.921  -2.132
  344    HA   THR  55           HA       THR  55  -8.435  -6.739  -1.874
  345    HB   THR  55           HB       THR  55  -7.519  -6.523  -4.315
  346    HG1  THR  55          1HG       THR  55  -7.881  -4.241  -4.950
  347   1HG2  THR  55          2HG2      THR  55 -10.032  -5.067  -3.363
  348   2HG2  THR  55          3HG2      THR  55  -9.736  -5.618  -5.019
  349   3HG2  THR  55          1HG2      THR  55  -9.908  -6.801  -3.711
  350    H    SER  56           H        SER  56  -5.509  -4.900  -1.365
  351    HA   SER  56           HA       SER  56  -4.090  -7.467  -1.120
  352   1HB   SER  56          2HB       SER  56  -2.376  -7.066  -2.554
  353   2HB   SER  56          3HB       SER  56  -3.696  -6.298  -3.439
  354    HG   SER  56           HG       SER  56  -2.108  -4.814  -3.412
  355    H    LEU  57           H        LEU  57  -2.187  -7.240   0.185
  356    HA   LEU  57           HA       LEU  57  -2.546  -5.592   2.492
  357   1HB   LEU  57          2HB       LEU  57  -1.330  -7.707   2.604
  358   2HB   LEU  57          3HB       LEU  57  -0.190  -7.179   1.370
  359    HG   LEU  57           HG       LEU  57   0.741  -5.501   2.900
  360   1HD1  LEU  57          1HD1      LEU  57  -1.263  -6.645   4.914
  361   2HD1  LEU  57          2HD1      LEU  57   0.077  -5.551   5.319
  362   3HD1  LEU  57          3HD1      LEU  57  -1.245  -4.980   4.297
  363   1HD2  LEU  57          2HD2      LEU  57   1.672  -7.778   2.833
  364   2HD2  LEU  57          3HD2      LEU  57   1.811  -7.077   4.456
  365   3HD2  LEU  57          1HD2      LEU  57   0.554  -8.287   4.116
  366    H    HIS  58           H        HIS  58  -0.787  -5.312  -0.541
  367    HA   HIS  58           HA       HIS  58   0.917  -3.139   0.238
  368   1HB   HIS  58          2HB       HIS  58   0.314  -3.500  -2.624
  369   2HB   HIS  58          3HB       HIS  58   1.857  -3.382  -1.794
  370    HD1  HIS  58           HD1      HIS  58   1.332  -6.191  -0.059
  371    HD2  HIS  58           HD2      HIS  58   0.917  -5.421  -4.161
  372    HE1  HIS  58           HE1      HIS  58   1.305  -8.475  -1.211
  373    H    HIS  59           H        HIS  59  -2.154  -3.452  -1.585
  374    HA   HIS  59           HA       HIS  59  -2.571  -0.692  -2.117
  375   1HB   HIS  59          2HB       HIS  59  -4.672  -2.814  -1.596
  376   2HB   HIS  59          3HB       HIS  59  -4.890  -1.262  -2.416
  377    HD1  HIS  59           HD1      HIS  59  -5.749  -3.798  -3.980
  378    HD2  HIS  59           HD2      HIS  59  -1.923  -1.997  -4.133
  379    HE1  HIS  59           HE1      HIS  59  -4.691  -4.491  -6.199
  380    HE2  HIS  59           HE2      HIS  59  -2.391  -3.390  -6.308
  381    H    LEU  60           H        LEU  60  -3.500  -2.811   0.640
  382    HA   LEU  60           HA       LEU  60  -4.748  -0.805   2.180
  383   1HB   LEU  60          2HB       LEU  60  -4.907  -3.261   2.614
  384   2HB   LEU  60          3HB       LEU  60  -3.222  -3.267   3.130
  385    HG   LEU  60           HG       LEU  60  -3.781  -1.727   5.004
  386   1HD1  LEU  60          2HD1      LEU  60  -6.670  -2.181   4.122
  387   2HD1  LEU  60          3HD1      LEU  60  -6.135  -1.374   5.612
  388   3HD1  LEU  60          1HD1      LEU  60  -5.813  -0.624   4.056
  389   1HD2  LEU  60          2HD2      LEU  60  -3.759  -4.192   5.296
  390   2HD2  LEU  60          3HD2      LEU  60  -4.936  -3.401   6.360
  391   3HD2  LEU  60          1HD2      LEU  60  -5.493  -4.243   4.903
  392    H    THR  61           H        THR  61  -1.296  -1.769   1.951
  393    HA   THR  61           HA       THR  61  -0.353  -0.154   4.073
  394    HB   THR  61           HB       THR  61   1.134  -1.022   1.578
  395    HG1  THR  61          1HG       THR  61   0.240  -2.679   2.982
  396   1HG2  THR  61          3HG2      THR  61   2.148  -0.022   4.271
  397   2HG2  THR  61          1HG2      THR  61   3.147  -0.756   3.002
  398   3HG2  THR  61          2HG2      THR  61   2.354   0.799   2.707
  399    H    ARG  62           H        ARG  62  -0.565   0.651   0.517
  400    HA   ARG  62           HA       ARG  62   0.464   3.268   0.892
  401   1HB   ARG  62          2HB       ARG  62  -0.531   3.957  -1.198
  402   2HB   ARG  62          3HB       ARG  62   0.420   2.468  -1.295
  403   1HG   ARG  62          2HG       ARG  62  -1.573   1.132  -1.367
  404   2HG   ARG  62          3HG       ARG  62  -2.627   2.555  -1.174
  405   1HD   ARG  62          2HD       ARG  62  -1.997   3.399  -3.357
  406   2HD   ARG  62          3HD       ARG  62  -0.646   2.271  -3.461
  407    HE   ARG  62           HE       ARG  62  -2.004   0.618  -4.213
  408   1HH1  ARG  62          1HH1      ARG  62  -4.134   3.174  -2.916
  409   2HH1  ARG  62          2HH1      ARG  62  -5.521   2.495  -3.770
  410   1HH2  ARG  62          2HH2      ARG  62  -3.879  -0.258  -5.075
  411   2HH2  ARG  62          1HH2      ARG  62  -5.418   0.535  -4.805
  412    H    HIS  63           H        HIS  63  -2.852   2.048   1.337
  413    HA   HIS  63           HA       HIS  63  -4.032   4.642   1.876
  414   1HB   HIS  63          2HB       HIS  63  -5.470   2.871   1.346
  415   2HB   HIS  63          3HB       HIS  63  -4.776   1.764   2.522
  416    HD1  HIS  63           HD1      HIS  63  -6.708   5.124   2.687
  417    HD2  HIS  63           HD2      HIS  63  -5.882   1.645   4.897
  418    HE1  HIS  63           HE1      HIS  63  -7.929   5.357   4.897
  419    H    SER  64           H        SER  64  -2.622   2.118   3.992
  420    HA   SER  64           HA       SER  64  -3.081   3.303   6.469
  421   1HB   SER  64          2HB       SER  64  -0.623   1.686   5.690
  422   2HB   SER  64          3HB       SER  64  -1.241   1.967   7.322
  423    HG   SER  64           HG       SER  64  -2.679   0.652   5.240
  424    H    LEU  65           H        LEU  65  -0.633   4.201   4.067
  425    HA   LEU  65           HA       LEU  65   1.146   5.701   5.602
  426   1HB   LEU  65          2HB       LEU  65   0.001   6.561   2.935
  427   2HB   LEU  65          3HB       LEU  65   1.502   7.130   3.660
  428    HG   LEU  65           HG       LEU  65   0.972   4.295   2.740
  429   1HD1  LEU  65          2HD1      LEU  65   2.602   6.586   1.615
  430   2HD1  LEU  65          3HD1      LEU  65   2.578   4.946   0.916
  431   3HD1  LEU  65          1HD1      LEU  65   1.111   5.953   0.905
  432   1HD2  LEU  65          2HD2      LEU  65   2.653   4.354   4.586
  433   2HD2  LEU  65          3HD2      LEU  65   3.337   3.868   3.032
  434   3HD2  LEU  65          1HD2      LEU  65   3.611   5.511   3.622
  435    H    THR  66           H        THR  66  -2.203   6.518   4.710
  436    HA   THR  66           HA       THR  66  -2.074   9.300   5.368
  437    HB   THR  66           HB       THR  66  -4.494   9.217   5.421
  438    HG1  THR  66          1HG       THR  66  -4.313   6.401   5.148
  439   1HG2  THR  66          1HG2      THR  66  -3.373   9.169   3.194
  440   2HG2  THR  66          2HG2      THR  66  -3.493   7.399   3.165
  441   3HG2  THR  66          3HG2      THR  66  -4.963   8.384   3.187
  442    H    HIS  67           H        HIS  67  -2.433   6.395   7.347
  443    HA   HIS  67           HA       HIS  67  -3.426   7.786   9.715
  444   1HB   HIS  67          2HB       HIS  67  -2.255   4.986   9.386
  445   2HB   HIS  67          3HB       HIS  67  -3.140   5.593  10.775
  446    HD1  HIS  67           HD1      HIS  67  -5.024   6.900   7.961
  447    HD2  HIS  67           HD2      HIS  67  -4.374   3.074   9.584
  448    HE1  HIS  67           HE1      HIS  67  -6.929   5.467   7.166
  449    H    THR  68           H        THR  68  -0.344   6.269   8.629
  450    HA   THR  68           HA       THR  68   1.126   7.046  10.994
  451    HB   THR  68           HB       THR  68   3.052   6.306   9.439
  452    HG1  THR  68          1HG       THR  68   2.337   5.317   7.541
  453   1HG2  THR  68          2HG2      THR  68   0.655   4.423   9.801
  454   2HG2  THR  68          3HG2      THR  68   2.332   3.925   9.492
  455   3HG2  THR  68          1HG2      THR  68   1.913   4.734  11.016
  456    H    GLY  69           H        GLY  69   0.322   8.593   7.938
  457   1HA   GLY  69          2HA       GLY  69   0.597  10.779   7.293
  458   2HA   GLY  69          3HA       GLY  69   1.476  11.138   8.793
  459    H    GLU  70           H        GLU  70   2.157   8.515   6.491
  460    HA   GLU  70           HA       GLU  70   4.972   9.340   6.289
  461   1HB   GLU  70          2HB       GLU  70   3.367   6.997   5.283
  462   2HB   GLU  70          3HB       GLU  70   5.064   7.234   4.829
  463   1HG   GLU  70          2HG       GLU  70   5.792   7.222   7.129
  464   2HG   GLU  70          3HG       GLU  70   4.126   7.084   7.691
  465    H    LYS  71           H        LYS  71   3.672  11.409   5.372
  466    HA   LYS  71           HA       LYS  71   3.363  11.462   2.455
  467   1HB   LYS  71          2HB       LYS  71   1.977  12.700   4.129
  468   2HB   LYS  71          3HB       LYS  71   3.410  13.621   4.594
  469   1HG   LYS  71          2HG       LYS  71   3.508  14.557   2.269
  470   2HG   LYS  71          3HG       LYS  71   2.038  13.643   1.870
  471   1HD   LYS  71          2HD       LYS  71   0.911  14.790   3.862
  472   2HD   LYS  71          3HD       LYS  71   2.356  15.800   4.025
  473   1HE   LYS  71          2HE       LYS  71   0.527  15.621   1.597
  474   2HE   LYS  71          3HE       LYS  71   0.540  16.938   2.780
  475   1HZ   LYS  71          2HZ       LYS  71   2.795  17.425   2.145
  476   2HZ   LYS  71          3HZ       LYS  71   2.783  16.227   1.011
  477   3HZ   LYS  71          1HZ       LYS  71   1.782  17.519   0.847
  478    H    ASN  72           H        ASN  72   5.685  10.420   2.563
  479    HA   ASN  72           HA       ASN  72   7.793  12.564   2.694
  480   1HB   ASN  72          2HB       ASN  72   7.782   9.662   3.542
  481   2HB   ASN  72          3HB       ASN  72   9.292  10.493   3.182
  482   1HD2  ASN  72          1HD2      ASN  72   7.190  11.753   6.503
  483   2HD2  ASN  72          2HD2      ASN  72   6.315  11.034   5.168
  484    H    PHE  73           H        PHE  73   6.190  10.972   0.245
  485    HA   PHE  73           HA       PHE  73   8.605  10.141  -1.205
  486   1HB   PHE  73          2HB       PHE  73   5.739  10.450  -2.127
  487   2HB   PHE  73          3HB       PHE  73   7.069   9.862  -3.117
  488    HD1  PHE  73           HD2      PHE  73   8.534   7.921  -2.127
  489    HD2  PHE  73           HD1      PHE  73   4.658   8.960  -0.599
  490    HE1  PHE  73           HE2      PHE  73   8.516   5.863  -0.770
  491    HE2  PHE  73           HE1      PHE  73   4.566   6.830   0.637
  492    HZ   PHE  73           HZ       PHE  73   6.518   5.295   0.616
  493    H    THR  74           H        THR  74   9.857  11.842  -1.037
  494    HA   THR  74           HA       THR  74   9.204  14.535  -1.736
  495    HB   THR  74           HB       THR  74  11.886  13.200  -1.307
  496    HG1  THR  74          1HG       THR  74  10.216  12.940   0.393
  497   1HG2  THR  74          2HG2      THR  74  10.977  16.098  -0.992
  498   2HG2  THR  74          3HG2      THR  74  12.559  15.453  -0.507
  499   3HG2  THR  74          1HG2      THR  74  12.107  15.476  -2.220
  500    H    CYS  75           H        CYS  75   9.001  15.324  -3.746
  501    HA   CYS  75           HA       CYS  75   9.883  14.048  -6.155
  502   1HB   CYS  75          2HB       CYS  75   8.130  15.593  -6.339
  503   2HB   CYS  75          3HB       CYS  75   8.978  16.839  -5.405
  504    H    ASP  76           H        ASP  76  11.975  13.768  -6.738
  505    HA   ASP  76           HA       ASP  76  14.130  15.232  -5.472
  506   1HB   ASP  76          2HB       ASP  76  14.375  12.894  -6.067
  507   2HB   ASP  76          3HB       ASP  76  14.092  13.256  -7.784
  508    H    SER  77           H        SER  77  13.223  17.357  -6.071
  509    HA   SER  77           HA       SER  77  14.505  18.403  -8.523
  510   1HB   SER  77          2HB       SER  77  12.124  17.777  -9.096
  511   2HB   SER  77          3HB       SER  77  11.580  18.924  -7.850
  512    HG   SER  77           HG       SER  77  11.657  19.785 -10.000
  513    H    ASP  78           H        ASP  78  15.831  19.896  -7.608
  514    HA   ASP  78           HA       ASP  78  15.778  20.850  -5.026
  515   1HB   ASP  78          2HB       ASP  78  16.811  22.288  -7.510
  516   2HB   ASP  78          3HB       ASP  78  17.252  22.678  -5.842
  517    H    GLY  79           H        GLY  79  14.623  22.356  -3.890
  518   1HA   GLY  79          2HA       GLY  79  13.349  24.257  -3.483
  519   2HA   GLY  79          3HA       GLY  79  13.264  24.618  -5.216
  520    H    CYS  80           H        CYS  80  12.234  22.455  -6.369
  521    HA   CYS  80           HA       CYS  80   9.442  22.321  -5.473
  522   1HB   CYS  80          2HB       CYS  80   9.994  22.608  -7.794
  523   2HB   CYS  80          3HB       CYS  80  11.025  21.189  -7.805
  524    H    ASP  81           H        ASP  81  11.048  21.312  -3.455
  525    HA   ASP  81           HA       ASP  81  11.181  18.375  -3.657
  526   1HB   ASP  81          2HB       ASP  81  11.824  20.268  -1.383
  527   2HB   ASP  81          3HB       ASP  81  12.108  18.524  -1.388
  528    H    LEU  82           H        LEU  82   8.668  18.968  -4.188
  529    HA   LEU  82           HA       LEU  82   6.949  19.197  -1.864
  530   1HB   LEU  82          2HB       LEU  82   6.508  18.328  -4.734
  531   2HB   LEU  82          3HB       LEU  82   5.191  18.339  -3.546
  532    HG   LEU  82           HG       LEU  82   6.840  20.781  -4.336
  533   1HD1  LEU  82          2HD1      LEU  82   5.536  19.889  -6.241
  534   2HD1  LEU  82          3HD1      LEU  82   4.064  19.889  -5.240
  535   3HD1  LEU  82          1HD1      LEU  82   4.856  21.421  -5.668
  536   1HD2  LEU  82          2HD2      LEU  82   4.231  20.479  -2.761
  537   2HD2  LEU  82          3HD2      LEU  82   5.783  21.058  -2.115
  538   3HD2  LEU  82          1HD2      LEU  82   4.915  22.021  -3.310
  539    H    ARG  83           H        ARG  83   6.142  17.633  -0.553
  540    HA   ARG  83           HA       ARG  83   7.194  14.877  -0.897
  541   1HB   ARG  83          2HB       ARG  83   6.057  16.035   1.645
  542   2HB   ARG  83          3HB       ARG  83   7.134  14.652   1.394
  543   1HG   ARG  83          2HG       ARG  83   8.821  16.428   0.425
  544   2HG   ARG  83          3HG       ARG  83   7.765  17.621   1.200
  545   1HD   ARG  83          2HD       ARG  83   9.451  17.156   2.794
  546   2HD   ARG  83          3HD       ARG  83   8.026  16.253   3.345
  547    HE   ARG  83           HE       ARG  83  10.045  14.914   1.584
  548   1HH1  ARG  83          1HH1      ARG  83   8.711  15.137   4.898
  549   2HH1  ARG  83          2HH1      ARG  83   9.379  13.572   5.329
  550   1HH2  ARG  83          2HH2      ARG  83  10.985  13.057   2.257
  551   2HH2  ARG  83          1HH2      ARG  83  10.700  12.418   3.878
  552    H    PHE  84           H        PHE  84   5.796  13.525  -1.818
  553    HA   PHE  84           HA       PHE  84   2.893  14.035  -1.635
  554   1HB   PHE  84          2HB       PHE  84   4.495  12.163  -3.387
  555   2HB   PHE  84          3HB       PHE  84   2.760  12.390  -3.477
  556    HD1  PHE  84           HD2      PHE  84   6.054  14.087  -4.026
  557    HD2  PHE  84           HD1      PHE  84   1.786  14.280  -4.669
  558    HE1  PHE  84           HE2      PHE  84   6.326  16.191  -5.234
  559    HE2  PHE  84           HE1      PHE  84   2.112  16.346  -5.985
  560    HZ   PHE  84           HZ       PHE  84   4.337  17.428  -6.072
  561    H    THR  85           H        THR  85   1.419  12.241  -1.442
  562    HA   THR  85           HA       THR  85   1.842  10.637   0.930
  563    HB   THR  85           HB       THR  85  -0.501   9.817  -0.007
  564    HG1  THR  85          1HG       THR  85  -0.714  12.285  -1.202
  565   1HG2  THR  85          3HG2      THR  85  -0.117  11.297   1.974
  566   2HG2  THR  85          1HG2      THR  85  -0.140  12.714   0.900
  567   3HG2  THR  85          2HG2      THR  85  -1.578  11.668   1.067
  568    H    THR  86           H        THR  86   1.389   9.781  -2.563
  569    HA   THR  86           HA       THR  86   2.531   7.099  -1.849
  570    HB   THR  86           HB       THR  86   1.228   6.150  -3.614
  571    HG1  THR  86          1HG       THR  86  -0.406   7.704  -4.569
  572   1HG2  THR  86          1HG2      THR  86   0.107   6.460  -1.380
  573   2HG2  THR  86          2HG2      THR  86  -0.673   7.923  -2.024
  574   3HG2  THR  86          3HG2      THR  86  -1.007   6.335  -2.748
  575    H    LYS  87           H        LYS  87   3.892   6.128  -3.394
  576    HA   LYS  87           HA       LYS  87   5.778   7.817  -4.665
  577   1HB   LYS  87          2HB       LYS  87   5.015   4.918  -5.263
  578   2HB   LYS  87          3HB       LYS  87   6.438   5.760  -5.902
  579   1HG   LYS  87          2HG       LYS  87   7.309   6.101  -3.647
  580   2HG   LYS  87          3HG       LYS  87   5.896   5.284  -2.939
  581   1HD   LYS  87          2HD       LYS  87   6.530   3.250  -4.375
  582   2HD   LYS  87          3HD       LYS  87   7.999   4.142  -4.823
  583   1HE   LYS  87          2HE       LYS  87   8.477   2.527  -3.075
  584   2HE   LYS  87          3HE       LYS  87   8.741   4.171  -2.480
  585   1HZ   LYS  87          1HZ       LYS  87   6.364   2.502  -1.987
  586   2HZ   LYS  87          2HZ       LYS  87   7.576   2.796  -0.911
  587   3HZ   LYS  87          3HZ       LYS  87   6.598   4.026  -1.404
  588    H    ALA  88           H        ALA  88   2.799   6.203  -5.849
  589    HA   ALA  88           HA       ALA  88   3.180   6.955  -8.574
  590   1HB   ALA  88          3HB       ALA  88   1.775   5.151  -7.821
  591   2HB   ALA  88          1HB       ALA  88   0.572   6.306  -7.176
  592   3HB   ALA  88          2HB       ALA  88   0.926   6.262  -8.930
  593    H    ASN  89           H        ASN  89   1.549   8.656  -5.814
  594    HA   ASN  89           HA       ASN  89   0.554  10.813  -7.441
  595   1HB   ASN  89          2HB       ASN  89   1.298  10.694  -4.489
  596   2HB   ASN  89          3HB       ASN  89   0.585  12.110  -5.275
  597   1HD2  ASN  89          1HD2      ASN  89  -2.245  10.143  -3.804
  598   2HD2  ASN  89          2HD2      ASN  89  -0.819  10.894  -3.093
  599    H    MET  90           H        MET  90   3.659  10.285  -5.731
  600    HA   MET  90           HA       MET  90   4.910  12.739  -6.451
  601   1HB   MET  90          2HB       MET  90   5.870  11.191  -4.800
  602   2HB   MET  90          3HB       MET  90   6.087   9.968  -6.037
  603   1HG   MET  90          2HG       MET  90   7.693  11.498  -7.220
  604   2HG   MET  90          3HG       MET  90   7.526  12.617  -5.862
  605   1HE   MET  90          2HE       MET  90   8.648   9.031  -7.043
  606   2HE   MET  90          3HE       MET  90   9.518   8.424  -5.613
  607   3HE   MET  90          1HE       MET  90   7.762   8.548  -5.575
  608    H    LYS  91           H        LYS  91   4.874   9.579  -8.186
  609    HA   LYS  91           HA       LYS  91   6.377  10.444 -10.437
  610   1HB   LYS  91          2HB       LYS  91   4.245   8.304 -10.178
  611   2HB   LYS  91          3HB       LYS  91   5.223   8.534 -11.625
  612   1HG   LYS  91          2HG       LYS  91   6.344   7.819  -8.874
  613   2HG   LYS  91          3HG       LYS  91   6.044   6.711 -10.215
  614   1HD   LYS  91          2HD       LYS  91   7.651   8.207 -11.590
  615   2HD   LYS  91          3HD       LYS  91   8.087   8.959 -10.032
  616   1HE   LYS  91          2HE       LYS  91   8.677   6.709  -9.134
  617   2HE   LYS  91          3HE       LYS  91   8.276   5.988 -10.709
  618   1HZ   LYS  91          1HZ       LYS  91  10.004   7.310 -11.683
  619   2HZ   LYS  91          2HZ       LYS  91  10.381   7.977 -10.222
  620   3HZ   LYS  91          3HZ       LYS  91  10.604   6.364 -10.475
  621    H    LYS  92           H        LYS  92   2.807  10.431  -9.996
  622    HA   LYS  92           HA       LYS  92   2.105  11.474 -12.527
  623   1HB   LYS  92          2HB       LYS  92   0.831  11.776  -9.772
  624   2HB   LYS  92          3HB       LYS  92   0.139  12.499 -11.235
  625   1HG   LYS  92          2HG       LYS  92  -0.123  10.349 -12.291
  626   2HG   LYS  92          3HG       LYS  92   0.745   9.529 -10.990
  627   1HD   LYS  92          2HD       LYS  92  -1.713   9.222 -10.898
  628   2HD   LYS  92          3HD       LYS  92  -1.063   9.912  -9.418
  629   1HE   LYS  92          2HE       LYS  92  -2.171  11.742 -11.578
  630   2HE   LYS  92          3HE       LYS  92  -3.270  10.885 -10.499
  631   1HZ   LYS  92          3HZ       LYS  92  -2.191  11.837  -8.627
  632   2HZ   LYS  92          1HZ       LYS  92  -1.156  12.687  -9.588
  633   3HZ   LYS  92          2HZ       LYS  92  -2.770  13.013  -9.617
  634    H    HIS  93           H        HIS  93   2.814  13.276  -9.468
  635    HA   HIS  93           HA       HIS  93   2.630  15.881 -10.589
  636   1HB   HIS  93          2HB       HIS  93   2.784  15.744  -8.248
  637   2HB   HIS  93          3HB       HIS  93   4.213  14.712  -8.285
  638    HD1  HIS  93           HD1      HIS  93   3.353  18.405  -9.119
  639    HD2  HIS  93           HD2      HIS  93   6.594  15.810  -8.455
  640    HE1  HIS  93           HE1      HIS  93   5.463  19.840  -9.151
  641    H    PHE  94           H        PHE  94   5.520  13.818 -10.150
  642    HA   PHE  94           HA       PHE  94   7.394  15.524 -11.286
  643   1HB   PHE  94          2HB       PHE  94   7.670  13.262 -10.044
  644   2HB   PHE  94          3HB       PHE  94   7.516  12.504 -11.622
  645    HD1  PHE  94           HD2      PHE  94   9.239  13.261 -13.461
  646    HD2  PHE  94           HD1      PHE  94   9.701  14.145  -9.259
  647    HE1  PHE  94           HE2      PHE  94  11.621  13.822 -13.832
  648    HE2  PHE  94           HE1      PHE  94  12.088  14.701  -9.646
  649    HZ   PHE  94           HZ       PHE  94  13.045  14.556 -11.926
  650    H    ASN  95           H        ASN  95   5.300  13.124 -12.843
  651    HA   ASN  95           HA       ASN  95   6.320  13.378 -15.453
  652   1HB   ASN  95          2HB       ASN  95   3.747  12.350 -14.275
  653   2HB   ASN  95          3HB       ASN  95   3.781  12.684 -16.001
  654   1HD2  ASN  95          1HD2      ASN  95   5.728   9.421 -14.550
  655   2HD2  ASN  95          2HD2      ASN  95   4.929  10.574 -13.479
  656    H    ARG  96           H        ARG  96   3.358  14.786 -14.029
  657    HA   ARG  96           HA       ARG  96   2.552  16.488 -16.061
  658   1HB   ARG  96          2HB       ARG  96   2.376  16.694 -13.053
  659   2HB   ARG  96          3HB       ARG  96   1.591  17.866 -14.122
  660   1HG   ARG  96          2HG       ARG  96   0.160  16.201 -15.065
  661   2HG   ARG  96          3HG       ARG  96   1.083  14.869 -14.343
  662   1HD   ARG  96          2HD       ARG  96   0.472  15.595 -12.093
  663   2HD   ARG  96          3HD       ARG  96  -0.418  16.991 -12.750
  664    HE   ARG  96           HE       ARG  96  -1.524  14.744 -13.975
  665   1HH1  ARG  96          1HH1      ARG  96  -1.139  15.938 -10.681
  666   2HH1  ARG  96          2HH1      ARG  96  -2.619  15.223 -10.074
  667   1HH2  ARG  96          1HH2      ARG  96  -3.494  13.819 -13.210
  668   2HH2  ARG  96          2HH2      ARG  96  -3.975  14.039 -11.545
  669    H    PHE  97           H        PHE  97   4.803  17.335 -13.388
  670    HA   PHE  97           HA       PHE  97   5.171  20.025 -14.496
  671   1HB   PHE  97          2HB       PHE  97   6.162  18.642 -11.991
  672   2HB   PHE  97          3HB       PHE  97   6.678  20.246 -12.481
  673    HD1  PHE  97           HD1      PHE  97   3.369  18.455 -12.104
  674    HD2  PHE  97           HD2      PHE  97   5.684  22.022 -11.382
  675    HE1  PHE  97           HE1      PHE  97   1.427  19.505 -11.040
  676    HE2  PHE  97           HE2      PHE  97   3.803  22.961 -10.081
  677    HZ   PHE  97           HZ       PHE  97   1.680  21.685  -9.853
  678    H    HIS  98           H        HIS  98   7.096  17.027 -14.574
  679    HA   HIS  98           HA       HIS  98   9.383  18.660 -15.646
  680   1HB   HIS  98          2HB       HIS  98   9.648  16.135 -14.027
  681   2HB   HIS  98          3HB       HIS  98  10.913  17.242 -14.552
  682    HD1  HIS  98           HD1      HIS  98   9.516  19.983 -13.628
  683    HD2  HIS  98           HD2      HIS  98   9.498  16.402 -11.447
  684    HE1  HIS  98           HE1      HIS  98   8.959  20.600 -11.217
  685    H    ASN  99           H        ASN  99   7.497  15.639 -16.089
  686    HA   ASN  99           HA       ASN  99   9.268  14.855 -18.322
  687   1HB   ASN  99          2HB       ASN  99   8.136  13.121 -16.992
  688   2HB   ASN  99          3HB       ASN  99   6.563  13.771 -17.511
  689   1HD2  ASN  99          1HD2      ASN  99   6.761  11.090 -19.792
  690   2HD2  ASN  99          2HD2      ASN  99   6.263  11.484 -18.149
  691    H    ILE 100           H        ILE 100   5.768  15.620 -18.100
  692    HA   ILE 100           HA       ILE 100   5.831  16.679 -20.880
  693    HB   ILE 100           HB       ILE 100   3.434  16.624 -20.802
  694   1HG1  ILE 100          2HG1      ILE 100   3.583  15.382 -18.026
  695   2HG1  ILE 100          3HG1      ILE 100   3.220  17.095 -18.299
  696   1HG2  ILE 100          1HG2      ILE 100   4.782  14.614 -21.436
  697   2HG2  ILE 100          2HG2      ILE 100   4.589  13.990 -19.785
  698   3HG2  ILE 100          3HG2      ILE 100   3.173  14.210 -20.832
  699   1HD1  ILE 100          3HD1      ILE 100   1.267  16.440 -19.702
  700   2HD1  ILE 100          1HD1      ILE 100   1.578  14.734 -19.300
  701   3HD1  ILE 100          2HD1      ILE 100   1.149  15.881 -18.023
  702    H    LYS 101           H        LYS 101   6.893  18.066 -18.314
  703    HA   LYS 101           HA       LYS 101   6.952  20.161 -17.426
  704   1HB   LYS 101          2HB       LYS 101   6.153  21.026 -20.225
  705   2HB   LYS 101          3HB       LYS 101   7.111  21.935 -19.053
  706   1HG   LYS 101          2HG       LYS 101   7.950  19.345 -20.447
  707   2HG   LYS 101          3HG       LYS 101   8.484  20.975 -20.857
  708   1HD   LYS 101          2HD       LYS 101   9.531  21.241 -18.635
  709   2HD   LYS 101          3HD       LYS 101   9.034  19.606 -18.175
  710   1HE   LYS 101          2HE       LYS 101  10.849  20.242 -20.545
  711   2HE   LYS 101          3HE       LYS 101  11.404  19.740 -18.939
  712   1HZ   LYS 101          1HZ       LYS 101   9.662  18.129 -20.670
  713   2HZ   LYS 101          2HZ       LYS 101  11.275  17.897 -20.431
  714   3HZ   LYS 101          3HZ       LYS 101  10.220  17.712 -19.180
  715   1H5*    T   1          1H5*        T   1  -5.002  22.612 -17.042
  716   2H5*    T   1          2H5*        T   1  -3.500  21.675 -17.231
  717    H4*    T   1           H4*        T   1  -3.955  22.665 -14.887
  718    H3*    T   1           H3*        T   1  -3.147  19.881 -15.510
  719   1H2*    T   1          1H2*        T   1  -4.597  18.984 -14.002
  720   2H2*    T   1          2H2*        T   1  -3.622  19.725 -12.708
  721    H1*    T   1           H1*        T   1  -4.938  21.721 -12.712
  722    H3     T   1           H3         T   1  -8.259  20.103 -10.007
  723   1H5M    T   1          1H5M        T   1  -8.801  17.488 -14.623
  724   2H5M    T   1          2H5M        T   1 -10.133  17.612 -13.463
  725   3H5M    T   1          3H5M        T   1  -9.935  18.859 -14.710
  726    H6     T   1           H6         T   1  -7.090  19.362 -14.607
  727    H5T    T   1           H5T        T   1  -5.968  20.551 -16.462
  728   1H5*    T   2          1H5*        T   2  -1.945  21.933 -11.633
  729   2H5*    T   2          2H5*        T   2  -0.277  21.583 -11.148
  730    H4*    T   2           H4*        T   2  -1.786  21.450  -9.200
  731    H3*    T   2           H3*        T   2  -0.494  18.930 -10.187
  732   1H2*    T   2          1H2*        T   2  -2.126  17.643  -9.486
  733   2H2*    T   2          2H2*        T   2  -1.956  18.240  -7.802
  734    H1*    T   2           H1*        T   2  -3.537  19.900  -8.111
  735    H3     T   2           H3         T   2  -7.479  17.624  -8.216
  736   1H5M    T   2          1H5M        T   2  -4.834  16.577 -12.868
  737   2H5M    T   2          2H5M        T   2  -5.961  15.397 -12.164
  738   3H5M    T   2          3H5M        T   2  -6.586  16.868 -12.916
  739    H6     T   2           H6         T   2  -3.765  17.888 -11.246
  740   1H5*    G   3          1H5*        G   3  -0.339  19.635  -5.507
  741   2H5*    G   3          2H5*        G   3   1.103  18.828  -4.858
  742    H4*    G   3           H4*        G   3  -0.988  18.391  -3.591
  743    H3*    G   3           H3*        G   3   0.921  16.515  -3.986
  744   1H2*    G   3          1H2*        G   3  -0.175  15.637  -6.023
  745   2H2*    G   3          2H2*        G   3  -0.747  14.477  -4.795
  746    H1*    G   3           H1*        G   3  -2.690  15.857  -4.303
  747    H8     G   3           H8         G   3  -1.404  15.312  -7.907
  748    H1     G   3           H1         G   3  -7.732  14.618  -7.052
  749   1H2     G   3           H21        G   3  -8.188  15.026  -4.812
  750   2H2     G   3           H22        G   3  -6.920  15.623  -3.769
  751   1H5*    G   4          1H5*        G   4  -2.191  16.452  -0.732
  752   2H5*    G   4          2H5*        G   4  -1.739  15.592   0.748
  753    H4*    G   4           H4*        G   4  -4.198  15.742   0.407
  754    H3*    G   4           H3*        G   4  -2.833  13.456   1.157
  755   1H2*    G   4          1H2*        G   4  -2.885  12.434  -1.011
  756   2H2*    G   4          2H2*        G   4  -4.403  11.762  -0.366
  757    H1*    G   4           H1*        G   4  -5.698  13.527  -1.339
  758    H8     G   4           H8         G   4  -2.359  13.472  -3.383
  759    H1     G   4           H1         G   4  -7.506  11.244  -6.505
  760   1H2     G   4           H21        G   4  -9.158  10.839  -4.928
  761   2H2     G   4           H22        G   4  -8.990  11.512  -3.317
  762   1H5*    A   5          1H5*        A   5  -7.425  12.521   0.746
  763   2H5*    A   5          2H5*        A   5  -7.923  11.498   2.112
  764    H4*    A   5           H4*        A   5  -8.827  10.609   0.033
  765    H3*    A   5           H3*        A   5  -7.089   9.013   1.739
  766   1H2*    A   5          1H2*        A   5  -5.525   8.741   0.039
  767   2H2*    A   5          2H2*        A   5  -6.609   7.412  -0.454
  768    H1*    A   5           H1*        A   5  -7.894   8.937  -1.878
  769    H8     A   5           H8         A   5  -4.088   9.823  -1.594
  770   1H6     A   5           H61        A   5  -4.064   8.929  -7.728
  771   2H6     A   5           H62        A   5  -3.071   9.356  -6.342
  772    H2     A   5           H2         A   5  -8.094   7.897  -6.212
  773   1H5*    T   6          1H5*        T   6 -10.632   7.097  -0.918
  774   2H5*    T   6          2H5*        T   6 -11.206   5.659  -0.046
  775    H4*    T   6           H4*        T   6 -11.324   5.375  -2.504
  776    H3*    T   6           H3*        T   6 -10.050   3.502  -0.714
  777   1H2*    T   6          1H2*        T   6  -7.977   3.866  -1.552
  778   2H2*    T   6          2H2*        T   6  -8.466   2.639  -2.732
  779    H1*    T   6           H1*        T   6  -9.336   4.345  -4.250
  780    H3     T   6           H3         T   6  -5.541   5.290  -6.586
  781   1H5M    T   6          1H5M        T   6  -3.498   5.235  -2.007
  782   2H5M    T   6          2H5M        T   6  -3.402   6.859  -2.709
  783   3H5M    T   6          3H5M        T   6  -4.548   6.529  -1.399
  784    H6     T   6           H6         T   6  -6.688   5.538  -1.922
  785   1H5*    G   7          1H5*        G   7 -12.543   1.940  -4.733
  786   2H5*    G   7          2H5*        G   7 -13.045   0.287  -4.332
  787    H4*    G   7           H4*        G   7 -12.677   0.570  -6.746
  788    H3*    G   7           H3*        G   7 -11.608  -1.602  -5.322
  789   1H2*    G   7          1H2*        G   7  -9.488  -0.701  -5.107
  790   2H2*    G   7          2H2*        G   7  -9.244  -1.612  -6.606
  791    H1*    G   7           H1*        G   7  -9.692   0.304  -7.988
  792    H8     G   7           H8         G   7  -8.608   1.312  -4.399
  793    H1     G   7           H1         G   7  -4.186   2.405  -8.906
  794   1H2     G   7           H21        G   7  -5.007   1.798 -10.947
  795   2H2     G   7           H22        G   7  -6.639   1.164 -11.073
  796   1H5*    G   8          1H5*        G   8 -10.709  -1.308  -9.970
  797   2H5*    G   8          2H5*        G   8 -11.034  -2.919 -10.643
  798    H4*    G   8           H4*        G   8  -9.199  -1.828 -11.840
  799    H3*    G   8           H3*        G   8  -9.058  -4.458 -10.793
  800   1H2*    G   8          1H2*        G   8  -7.627  -3.789  -9.024
  801   2H2*    G   8          2H2*        G   8  -6.381  -4.244 -10.201
  802    H1*    G   8           H1*        G   8  -6.302  -1.953 -11.080
  803    H8     G   8           H8         G   8  -7.280  -2.102  -7.317
  804    H1     G   8           H1         G   8  -1.308  -0.001  -8.464
  805   1H2     G   8           H21        G   8  -0.927  -0.126 -10.760
  806   2H2     G   8           H22        G   8  -2.224  -0.663 -11.820
  807   1H5*    G   9          1H5*        G   9  -5.535  -2.637 -13.406
  808   2H5*    G   9          2H5*        G   9  -5.393  -3.805 -14.729
  809    H4*    G   9           H4*        G   9  -3.274  -2.795 -14.476
  810    H3*    G   9           H3*        G   9  -3.580  -5.625 -14.226
  811   1H2*    G   9          1H2*        G   9  -3.199  -5.441 -11.888
  812   2H2*    G   9          2H2*        G   9  -1.575  -5.851 -12.463
  813    H1*    G   9           H1*        G   9  -1.072  -3.429 -12.524
  814    H8     G   9           H8         G   9  -3.711  -4.337  -9.737
  815    H1     G   9           H1         G   9   1.931  -2.171  -7.576
  816   1H2     G   9           H21        G   9   3.316  -1.763  -9.423
  817   2H2     G   9           H22        G   9   2.680  -2.013 -11.040
  818   1H5*    A  10          1H5*        A  10   0.613  -3.422 -14.800
  819   2H5*    A  10          2H5*        A  10   1.327  -4.324 -16.150
  820    H4*    A  10           H4*        A  10   3.086  -3.333 -14.823
  821    H3*    A  10           H3*        A  10   2.938  -6.144 -15.392
  822   1H2*    A  10          1H2*        A  10   2.664  -6.735 -13.146
  823   2H2*    A  10          2H2*        A  10   4.446  -6.651 -13.149
  824    H1*    A  10           H1*        A  10   4.401  -4.337 -12.402
  825    H8     A  10           H8         A  10   1.036  -6.006 -11.335
  826   1H6     A  10           H61        A  10   2.814  -4.957  -5.553
  827   2H6     A  10           H62        A  10   1.572  -5.563  -6.634
  828    H2     A  10           H2         A  10   6.172  -3.697  -8.264
  829   1H5*    G  11          1H5*        G  11   7.016  -4.053 -14.125
  830   2H5*    G  11          2H5*        G  11   8.309  -4.750 -15.123
  831    H4*    G  11           H4*        G  11   9.109  -4.200 -12.872
  832    H3*    G  11           H3*        G  11   9.533  -6.706 -14.121
  833   1H2*    G  11          1H2*        G  11   7.943  -7.803 -12.695
  834   2H2*    G  11          2H2*        G  11   9.426  -8.055 -11.732
  835    H1*    G  11           H1*        G  11   9.042  -5.960 -10.523
  836    H8     G  11           H8         G  11   5.762  -7.823 -11.607
  837    H1     G  11           H1         G  11   6.450  -6.909  -5.292
  838   1H2     G  11           H21        G  11   8.588  -6.050  -4.925
  839   2H2     G  11           H22        G  11   9.580  -5.572  -6.284
  840   1H5*    A  12          1H5*        A  12  12.486  -4.730 -10.956
  841   2H5*    A  12          2H5*        A  12  14.128  -5.211 -11.425
  842    H4*    A  12           H4*        A  12  13.938  -4.670  -9.020
  843    H3*    A  12           H3*        A  12  15.275  -6.897 -10.010
  844   1H2*    A  12          1H2*        A  12  13.535  -8.434  -9.599
  845   2H2*    A  12          2H2*        A  12  14.392  -8.589  -8.052
  846    H1*    A  12           H1*        A  12  12.940  -7.039  -6.959
  847    H8     A  12           H8         A  12  11.205  -8.453 -10.175
  848   1H6     A  12           H61        A  12   6.696 -10.316  -6.452
  849   2H6     A  12           H62        A  12   7.377 -10.320  -8.075
  850    H2     A  12           H2         A  12   9.891  -8.481  -3.890
  851   1H5*    C  13          1H5*        C  13  15.062  -6.371  -5.429
  852   2H5*    C  13          2H5*        C  13  16.544  -6.825  -4.565
  853    H4*    C  13           H4*        C  13  14.420  -7.552  -3.460
  854    H3*    C  13           H3*        C  13  16.722  -9.251  -3.867
  855   1H2*    C  13          1H2*        C  13  15.507 -10.677  -5.291
  856   2H2*    C  13          2H2*        C  13  15.054 -11.430  -3.745
  857    H1*    C  13           H1*        C  13  13.118  -9.913  -3.551
  858   1H4     C  13           H41        C  13  10.391 -12.611  -9.062
  859   2H4     C  13           H42        C  13   9.296 -12.860  -7.718
  860    H5     C  13           H5         C  13  12.662 -11.634  -8.731
  861    H6     C  13           H6         C  13  14.109 -10.581  -7.110
  862   1H5*    C  14          1H5*        C  14  13.244  -9.860  -0.693
  863   2H5*    C  14          2H5*        C  14  14.027 -10.294   0.838
  864    H4*    C  14           H4*        C  14  11.754 -11.189   0.678
  865    H3*    C  14           H3*        C  14  14.029 -12.736   1.407
  866   1H2*    C  14          1H2*        C  14  14.024 -14.069  -0.488
  867   2H2*    C  14          2H2*        C  14  12.804 -14.985   0.435
  868    H1*    C  14           H1*        C  14  10.985 -13.886  -0.606
  869   1H4     C  14           H41        C  14  13.133 -14.483  -6.909
  870   2H4     C  14           H42        C  14  11.580 -15.287  -6.783
  871    H5     C  14           H5         C  14  14.254 -13.495  -4.954
  872    H6     C  14           H6         C  14  13.973 -13.003  -2.584
  873   1H5*    G  15          1H5*        G  15  10.111 -15.163   1.975
  874   2H5*    G  15          2H5*        G  15  10.194 -16.163   3.441
  875    H4*    G  15           H4*        G  15   9.540 -17.489   1.479
  876    H3*    G  15           H3*        G  15  12.087 -18.147   2.905
  877   1H2*    G  15          1H2*        G  15  13.143 -18.618   0.950
  878   2H2*    G  15          2H2*        G  15  12.062 -20.031   0.792
  879    H1*    G  15           H1*        G  15  10.442 -18.751  -0.448
  880    H8     G  15           H8         G  15  14.051 -17.269  -0.813
  881    H1     G  15           H1         G  15  11.052 -18.618  -6.332
  882   1H2     G  15           H21        G  15   9.015 -19.593  -5.844
  883   2H2     G  15           H22        G  15   8.501 -19.759  -4.177
  884    H3T    G  15           H3T        G  15   9.879 -19.675   1.948
  885   1H5*    C  16          1H5*        C  16   7.563 -22.036 -13.562
  886   2H5*    C  16          2H5*        C  16   6.161 -21.040 -14.023
  887    H4*    C  16           H4*        C  16   6.489 -21.474 -11.489
  888    H3*    C  16           H3*        C  16   6.195 -18.736 -12.718
  889   1H2*    C  16          1H2*        C  16   7.097 -17.736 -10.918
  890   2H2*    C  16          2H2*        C  16   6.075 -18.675  -9.781
  891    H1*    C  16           H1*        C  16   7.592 -20.378  -9.551
  892   1H4     C  16           H41        C  16  13.067 -16.537  -9.189
  893   2H4     C  16           H42        C  16  12.792 -17.208  -7.593
  894    H5     C  16           H5         C  16  11.512 -16.890 -11.057
  895    H6     C  16           H6         C  16   9.510 -18.058 -11.741
  896    H5T    C  16           H5T        C  16   8.706 -19.978 -13.462
  897   1H5*    G  17          1H5*        G  17   3.270 -20.430  -9.337
  898   2H5*    G  17          2H5*        G  17   1.714 -19.582  -9.409
  899    H4*    G  17           H4*        G  17   2.606 -20.141  -7.102
  900    H3*    G  17           H3*        G  17   1.075 -17.969  -7.670
  901   1H2*    G  17          1H2*        G  17   2.978 -16.601  -8.293
  902   2H2*    G  17          2H2*        G  17   2.679 -16.032  -6.647
  903    H1*    G  17           H1*        G  17   4.221 -17.629  -5.698
  904    H8     G  17           H8         G  17   5.096 -16.343  -9.277
  905    H1     G  17           H1         G  17   9.817 -15.876  -4.958
  906   1H2     G  17           H21        G  17   8.982 -16.559  -2.894
  907   2H2     G  17           H22        G  17   7.336 -17.156  -2.780
  908   1H5*    G  18          1H5*        G  18   2.824 -18.656  -3.140
  909   2H5*    G  18          2H5*        G  18   1.504 -18.179  -2.056
  910    H4*    G  18           H4*        G  18   3.719 -17.906  -1.021
  911    H3*    G  18           H3*        G  18   1.704 -16.018  -0.830
  912   1H2*    G  18          1H2*        G  18   2.527 -14.658  -2.600
  913   2H2*    G  18          2H2*        G  18   3.311 -13.848  -1.222
  914    H1*    G  18           H1*        G  18   5.330 -15.103  -1.491
  915    H8     G  18           H8         G  18   3.313 -14.960  -4.835
  916    H1     G  18           H1         G  18   9.206 -12.434  -5.110
  917   1H2     G  18           H21        G  18   9.950 -12.165  -2.903
  918   2H2     G  18           H22        G  18   9.093 -12.993  -1.616
  919   1H5*    T  19          1H5*        T  19   5.913 -15.054   1.256
  920   2H5*    T  19          2H5*        T  19   5.579 -14.358   2.855
  921    H4*    T  19           H4*        T  19   7.592 -13.390   1.793
  922    H3*    T  19           H3*        T  19   5.436 -11.829   2.900
  923   1H2*    T  19          1H2*        T  19   4.925 -10.829   0.876
  924   2H2*    T  19          2H2*        T  19   6.270  -9.744   1.277
  925    H1*    T  19           H1*        T  19   7.877 -11.143   0.112
  926    H3     T  19           H3         T  19   7.414  -9.805  -4.235
  927   1H5M    T  19          1H5M        T  19   2.729 -12.125  -2.721
  928   2H5M    T  19          2H5M        T  19   2.634 -10.489  -3.400
  929   3H5M    T  19          3H5M        T  19   3.147 -11.847  -4.424
  930    H6     T  19           H6         T  19   4.424 -11.790  -1.051
  931   1H5*    C  20          1H5*        C  20   9.537  -9.746   2.103
  932   2H5*    C  20          2H5*        C  20   9.904  -8.432   3.240
  933    H4*    C  20           H4*        C  20  10.282  -7.863   0.827
  934    H3*    C  20           H3*        C  20   8.533  -6.236   2.595
  935   1H2*    C  20          1H2*        C  20   6.978  -5.963   0.961
  936   2H2*    C  20          2H2*        C  20   8.155  -4.959   0.082
  937    H1*    C  20           H1*        C  20   9.055  -6.856  -1.088
  938   1H4     C  20           H41        C  20   2.835  -7.826  -3.522
  939   2H4     C  20           H42        C  20   3.952  -7.614  -4.856
  940    H5     C  20           H5         C  20   3.761  -8.206  -1.183
  941    H6     C  20           H6         C  20   5.683  -7.820   0.205
  942   1H5*    T  21          1H5*        T  21  11.357  -4.571  -0.718
  943   2H5*    T  21          2H5*        T  21  11.952  -2.933  -0.379
  944    H4*    T  21           H4*        T  21  11.346  -3.291  -2.756
  945    H3*    T  21           H3*        T  21  10.215  -1.096  -1.142
  946   1H2*    T  21          1H2*        T  21   8.096  -1.592  -1.749
  947   2H2*    T  21          2H2*        T  21   8.480  -0.840  -3.307
  948    H1*    T  21           H1*        T  21   9.216  -2.960  -4.240
  949    H3     T  21           H3         T  21   5.091  -4.292  -5.682
  950   1H5M    T  21          1H5M        T  21   3.976  -3.335  -0.842
  951   2H5M    T  21          2H5M        T  21   3.626  -5.009  -1.300
  952   3H5M    T  21          3H5M        T  21   5.040  -4.653  -0.295
  953    H6     T  21           H6         T  21   6.974  -3.541  -1.324
  954   1H5*    C  22          1H5*        C  22  10.458  -0.920  -5.615
  955   2H5*    C  22          2H5*        C  22  10.849   0.666  -6.308
  956    H4*    C  22           H4*        C  22   9.015  -0.424  -7.500
  957    H3*    C  22           H3*        C  22   8.292   2.038  -5.920
  958   1H2*    C  22          1H2*        C  22   6.134   1.562  -6.083
  959   2H2*    C  22          2H2*        C  22   6.218   1.290  -7.850
  960    H1*    C  22           H1*        C  22   6.768  -0.969  -7.625
  961   1H4     C  22           H41        C  22   1.670  -2.038  -3.468
  962   2H4     C  22           H42        C  22   1.050  -2.219  -5.099
  963    H5     C  22           H5         C  22   3.958  -1.410  -3.020
  964    H6     C  22           H6         C  22   6.082  -0.641  -4.050
  965   1H5*    C  23          1H5*        C  23   7.266   1.707 -10.413
  966   2H5*    C  23          2H5*        C  23   7.139   3.299 -11.199
  967    H4*    C  23           H4*        C  23   5.238   1.834 -11.729
  968    H3*    C  23           H3*        C  23   4.654   4.306 -10.080
  969   1H2*    C  23          1H2*        C  23   2.519   3.642  -9.845
  970   2H2*    C  23          2H2*        C  23   2.407   2.933 -11.495
  971    H1*    C  23           H1*        C  23   3.052   0.888 -10.880
  972   1H4     C  23           H41        C  23   0.450   0.550  -4.757
  973   2H4     C  23           H42        C  23  -0.756  -0.068  -5.873
  974    H5     C  23           H5         C  23   2.417   1.826  -5.578
  975    H6     C  23           H6         C  23   3.708   2.346  -7.570
  976   1H5*    C  24          1H5*        C  24   2.868   2.973 -13.881
  977   2H5*    C  24          2H5*        C  24   2.681   4.277 -15.067
  978    H4*    C  24           H4*        C  24   0.867   2.624 -15.252
  979    H3*    C  24           H3*        C  24   0.521   5.453 -14.962
  980   1H2*    C  24          1H2*        C  24  -0.587   5.366 -12.970
  981   2H2*    C  24          2H2*        C  24  -2.013   4.973 -13.973
  982    H1*    C  24           H1*        C  24  -1.760   2.634 -13.612
  983   1H4     C  24           H41        C  24  -0.910   3.071  -6.997
  984   2H4     C  24           H42        C  24  -2.548   2.526  -7.198
  985    H5     C  24           H5         C  24   0.442   3.856  -8.810
  986    H6     C  24           H6         C  24   0.589   4.158 -11.199
  987   1H5*    A  25          1H5*        A  25  -3.177   3.090 -16.053
  988   2H5*    A  25          2H5*        A  25  -4.045   3.790 -17.438
  989    H4*    A  25           H4*        A  25  -5.605   3.137 -15.646
  990    H3*    A  25           H3*        A  25  -5.431   5.832 -16.743
  991   1H2*    A  25          1H2*        A  25  -5.056   6.826 -14.713
  992   2H2*    A  25          2H2*        A  25  -6.805   6.621 -14.456
  993    H1*    A  25           H1*        A  25  -6.477   4.541 -13.281
  994    H8     A  25           H8         A  25  -3.215   6.703 -13.200
  995   1H6     A  25           H61        A  25  -3.427   6.090  -7.067
  996   2H6     A  25           H62        A  25  -2.519   6.651  -8.468
  997    H2     A  25           H2         A  25  -7.228   4.411  -8.759
  998   1H5*    T  26          1H5*        T  26  -9.054   4.177 -14.658
  999   2H5*    T  26          2H5*        T  26 -10.645   4.770 -15.183
 1000    H4*    T  26           H4*        T  26 -10.343   4.689 -12.698
 1001    H3*    T  26           H3*        T  26 -10.963   7.257 -14.128
 1002   1H2*    T  26          1H2*        T  26  -9.942   8.492 -12.537
 1003   2H2*    T  26          2H2*        T  26 -10.993   7.780 -11.285
 1004    H1*    T  26           H1*        T  26  -9.542   6.027 -10.808
 1005    H3     T  26           H3         T  26  -6.526   8.202  -8.213
 1006   1H5M    T  26          1H5M        T  26  -5.234  10.542 -12.336
 1007   2H5M    T  26          2H5M        T  26  -4.058   9.236 -12.097
 1008   3H5M    T  26          3H5M        T  26  -5.249   9.123 -13.407
 1009    H6     T  26           H6         T  26  -7.390   8.197 -12.926
 1010   1H5*    C  27          1H5*        C  27 -12.851   5.745 -10.337
 1011   2H5*    C  27          2H5*        C  27 -14.563   6.154 -10.103
 1012    H4*    C  27           H4*        C  27 -13.212   6.387  -8.026
 1013    H3*    C  27           H3*        C  27 -14.928   8.450  -9.114
 1014   1H2*    C  27          1H2*        C  27 -13.210   9.992  -9.314
 1015   2H2*    C  27          2H2*        C  27 -13.475  10.244  -7.570
 1016    H1*    C  27           H1*        C  27 -11.829   8.562  -6.997
 1017   1H4     C  27           H41        C  27  -7.021  11.822 -10.379
 1018   2H4     C  27           H42        C  27  -6.512  11.688  -8.715
 1019    H5     C  27           H5         C  27  -9.182  10.910 -11.175
 1020    H6     C  27           H6         C  27 -11.220   9.828 -10.476
 1021   1H5*    C  28          1H5*        C  28 -13.724   8.964  -4.645
 1022   2H5*    C  28          2H5*        C  28 -15.056   9.667  -3.701
 1023    H4*    C  28           H4*        C  28 -12.949  10.871  -3.299
 1024    H3*    C  28           H3*        C  28 -15.141  12.352  -4.761
 1025   1H2*    C  28          1H2*        C  28 -13.693  13.878  -5.535
 1026   2H2*    C  28          2H2*        C  28 -12.957  14.125  -3.924
 1027    H1*    C  28           H1*        C  28 -11.358  12.506  -4.193
 1028   1H4     C  28           H41        C  28  -9.554  13.901 -10.459
 1029   2H4     C  28           H42        C  28  -8.262  14.447  -9.416
 1030    H5     C  28           H5         C  28 -11.695  13.036  -9.596
 1031    H6     C  28           H6         C  28 -12.901  12.458  -7.566
 1032   1H5*    A  29          1H5*        A  29 -13.018  14.011  -1.075
 1033   2H5*    A  29          2H5*        A  29 -14.085  14.994  -0.053
 1034    H4*    A  29           H4*        A  29 -11.805  15.960  -0.335
 1035    H3*    A  29           H3*        A  29 -14.248  17.410  -0.625
 1036   1H2*    A  29          1H2*        A  29 -13.983  17.749  -2.902
 1037   2H2*    A  29          2H2*        A  29 -13.011  19.146  -2.382
 1038    H1*    A  29           H1*        A  29 -10.960  17.863  -2.473
 1039    H8     A  29           H8         A  29 -13.804  16.772  -4.914
 1040   1H6     A  29           H61        A  29  -9.519  16.926  -9.353
 1041   2H6     A  29           H62        A  29 -11.209  16.670  -8.942
 1042    H2     A  29           H2         A  29  -7.560  18.121  -5.495
 1043   1H5*    A  30          1H5*        A  30 -10.039  19.645   0.203
 1044   2H5*    A  30          2H5*        A  30 -10.342  21.227   0.952
 1045    H4*    A  30           H4*        A  30  -8.536  21.388  -0.706
 1046    H3*    A  30           H3*        A  30 -11.134  22.688  -1.668
 1047   1H2*    A  30          1H2*        A  30  -9.917  23.415  -3.546
 1048   2H2*    A  30          2H2*        A  30  -8.358  23.287  -2.688
 1049    H1*    A  30           H1*        A  30  -8.069  21.188  -3.456
 1050    H8     A  30           H8         A  30 -11.908  20.735  -3.796
 1051   1H6     A  30           H61        A  30 -10.769  19.688  -9.750
 1052   2H6     A  30           H62        A  30 -11.981  19.795  -8.475
 1053    H2     A  30           H2         A  30  -6.957  21.107  -7.870
 1054    H3T    A  30           H3T        A  30 -10.200  23.608   0.202
   
  No H/Q in entry =        1054
  Start of MODEL    3
    1    H    MET   1           H        MET   1   5.251 -18.243 -13.556
    2    HA   MET   1           HA       MET   1   4.741 -19.120 -11.012
    3   1HB   MET   1          2HB       MET   1   3.301 -16.489 -11.553
    4   2HB   MET   1          3HB       MET   1   3.032 -17.564 -10.179
    5   1HG   MET   1          2HG       MET   1   4.349 -16.019  -9.184
    6   2HG   MET   1          3HG       MET   1   5.608 -17.140  -9.711
    7   1HE   MET   1          1HE       MET   1   7.374 -15.271  -9.214
    8   2HE   MET   1          2HE       MET   1   7.286 -13.617  -9.862
    9   3HE   MET   1          3HE       MET   1   6.076 -14.177  -8.682
   10    H    LYS  11           H        LYS  11   2.581 -20.070 -10.854
   11    HA   LYS  11           HA       LYS  11   1.404 -20.727 -13.480
   12   1HB   LYS  11          2HB       LYS  11   1.888 -22.546 -11.887
   13   2HB   LYS  11          3HB       LYS  11   0.914 -21.727 -10.665
   14   1HG   LYS  11          2HG       LYS  11  -1.069 -21.918 -12.371
   15   2HG   LYS  11          3HG       LYS  11  -0.007 -22.981 -13.288
   16   1HD   LYS  11          2HD       LYS  11  -1.576 -24.222 -11.865
   17   2HD   LYS  11          3HD       LYS  11   0.096 -24.549 -11.390
   18   1HE   LYS  11          2HE       LYS  11  -1.578 -24.179  -9.492
   19   2HE   LYS  11          3HE       LYS  11  -0.095 -23.232  -9.409
   20   1HZ   LYS  11          2HZ       LYS  11  -2.684 -22.248 -10.397
   21   2HZ   LYS  11          3HZ       LYS  11  -2.005 -21.909  -8.932
   22   3HZ   LYS  11          1HZ       LYS  11  -1.294 -21.362 -10.307
   23    H    ARG  12           H        ARG  12   0.353 -18.817 -14.038
   24    HA   ARG  12           HA       ARG  12  -1.089 -17.078 -12.438
   25   1HB   ARG  12          2HB       ARG  12  -1.371 -17.885 -15.334
   26   2HB   ARG  12          3HB       ARG  12  -2.512 -16.767 -14.589
   27   1HG   ARG  12          2HG       ARG  12  -0.772 -15.555 -15.757
   28   2HG   ARG  12          3HG       ARG  12  -0.835 -15.170 -14.037
   29   1HD   ARG  12          2HD       ARG  12   1.115 -16.619 -13.620
   30   2HD   ARG  12          3HD       ARG  12   1.180 -17.036 -15.353
   31    HE   ARG  12           HE       ARG  12   1.232 -14.247 -15.211
   32   1HH1  ARG  12          1HH2      ARG  12   3.252 -16.960 -14.133
   33   2HH1  ARG  12          2HH2      ARG  12   4.695 -15.999 -13.990
   34   1HH2  ARG  12          1HH1      ARG  12   3.150 -13.005 -15.114
   35   2HH2  ARG  12          2HH1      ARG  12   4.658 -13.738 -14.639
   36    H    TYR  13           H        TYR  13  -2.775 -17.316 -11.142
   37    HA   TYR  13           HA       TYR  13  -4.504 -19.666 -11.156
   38   1HB   TYR  13          2HB       TYR  13  -4.676 -17.007  -9.673
   39   2HB   TYR  13          3HB       TYR  13  -5.632 -18.448  -9.323
   40    HD1  TYR  13           HD2      TYR  13  -4.351 -20.584  -8.597
   41    HD2  TYR  13           HD1      TYR  13  -2.715 -16.598  -8.458
   42    HE1  TYR  13           HE2      TYR  13  -3.038 -21.193  -6.594
   43    HE2  TYR  13           HE1      TYR  13  -1.438 -17.194  -6.433
   44    HH   TYR  13           HH       TYR  13  -1.748 -20.402  -4.871
   45    H    ILE  14           H        ILE  14  -6.446 -19.757 -12.265
   46    HA   ILE  14           HA       ILE  14  -7.166 -17.469 -13.947
   47    HB   ILE  14           HB       ILE  14  -8.194 -20.316 -14.036
   48   1HG1  ILE  14          2HG1      ILE  14  -5.804 -18.876 -15.213
   49   2HG1  ILE  14          3HG1      ILE  14  -5.860 -20.459 -14.428
   50   1HG2  ILE  14          2HG2      ILE  14  -9.672 -18.618 -15.155
   51   2HG2  ILE  14          3HG2      ILE  14  -8.261 -18.074 -16.098
   52   3HG2  ILE  14          1HG2      ILE  14  -8.923 -19.711 -16.299
   53   1HD1  ILE  14          3HD1      ILE  14  -7.106 -21.292 -16.480
   54   2HD1  ILE  14          1HD1      ILE  14  -6.770 -19.691 -17.215
   55   3HD1  ILE  14          2HD1      ILE  14  -5.434 -20.752 -16.758
   56    H    CYS  15           H        CYS  15  -9.084 -16.492 -14.047
   57    HA   CYS  15           HA       CYS  15 -10.589 -16.058 -11.670
   58   1HB   CYS  15          2HB       CYS  15 -10.211 -14.345 -13.281
   59   2HB   CYS  15          3HB       CYS  15 -10.915 -15.312 -14.579
   60    H    SER  16           H        SER  16 -12.132 -17.197 -10.778
   61    HA   SER  16           HA       SER  16 -13.109 -19.595 -11.526
   62   1HB   SER  16          2HB       SER  16 -14.703 -17.556  -9.935
   63   2HB   SER  16          3HB       SER  16 -14.568 -19.304  -9.664
   64    HG   SER  16           HG       SER  16 -12.342 -18.929  -9.136
   65    H    PHE  17           H        PHE  17 -14.390 -16.443 -12.490
   66    HA   PHE  17           HA       PHE  17 -16.938 -17.382 -13.451
   67   1HB   PHE  17          2HB       PHE  17 -15.399 -14.834 -14.015
   68   2HB   PHE  17          3HB       PHE  17 -17.048 -15.155 -14.521
   69    HD1  PHE  17           HD2      PHE  17 -18.902 -15.301 -12.898
   70    HD2  PHE  17           HD1      PHE  17 -14.889 -14.381 -11.600
   71    HE1  PHE  17           HE2      PHE  17 -19.747 -14.763 -10.632
   72    HE2  PHE  17           HE1      PHE  17 -15.726 -13.974  -9.314
   73    HZ   PHE  17           HZ       PHE  17 -18.161 -14.141  -8.826
   74    H    ALA  18           H        ALA  18 -16.053 -19.270 -14.563
   75    HA   ALA  18           HA       ALA  18 -14.459 -19.454 -16.764
   76   1HB   ALA  18          1HB       ALA  18 -15.651 -21.363 -15.770
   77   2HB   ALA  18          2HB       ALA  18 -17.193 -20.764 -16.427
   78   3HB   ALA  18          3HB       ALA  18 -15.910 -21.314 -17.527
   79    H    ASP  19           H        ASP  19 -14.410 -18.678 -18.746
   80    HA   ASP  19           HA       ASP  19 -15.172 -18.030 -20.848
   81   1HB   ASP  19          2HB       ASP  19 -17.587 -16.682 -19.564
   82   2HB   ASP  19          3HB       ASP  19 -17.143 -16.687 -21.261
   83    H    CYS  20           H        CYS  20 -15.123 -16.107 -17.852
   84    HA   CYS  20           HA       CYS  20 -14.466 -13.596 -18.990
   85   1HB   CYS  20          2HB       CYS  20 -15.084 -14.046 -16.612
   86   2HB   CYS  20          3HB       CYS  20 -13.498 -14.802 -16.382
   87    H    GLY  21           H        GLY  21 -12.459 -16.380 -18.062
   88   1HA   GLY  21          2HA       GLY  21 -10.377 -17.074 -18.686
   89   2HA   GLY  21          3HA       GLY  21 -10.557 -16.056 -20.119
   90    H    ALA  22           H        ALA  22 -10.594 -14.566 -16.912
   91    HA   ALA  22           HA       ALA  22  -8.079 -13.146 -17.530
   92   1HB   ALA  22          1HB       ALA  22 -10.053 -11.960 -16.550
   93   2HB   ALA  22          2HB       ALA  22  -9.877 -12.947 -15.077
   94   3HB   ALA  22          3HB       ALA  22  -8.583 -11.839 -15.565
   95    H    ALA  23           H        ALA  23  -6.153 -13.385 -16.132
   96    HA   ALA  23           HA       ALA  23  -6.237 -15.451 -14.091
   97   1HB   ALA  23          2HB       ALA  23  -5.969 -16.691 -16.266
   98   2HB   ALA  23          3HB       ALA  23  -4.454 -15.800 -16.536
   99   3HB   ALA  23          1HB       ALA  23  -4.611 -16.900 -15.146
  100    H    TYR  24           H        TYR  24  -4.470 -15.218 -12.606
  101    HA   TYR  24           HA       TYR  24  -2.414 -13.168 -13.237
  102   1HB   TYR  24          2HB       TYR  24  -4.184 -12.960 -10.779
  103   2HB   TYR  24          3HB       TYR  24  -2.863 -11.914 -11.220
  104    HD1  TYR  24           HD1      TYR  24  -3.072 -10.272 -13.117
  105    HD2  TYR  24           HD2      TYR  24  -6.326 -12.841 -12.005
  106    HE1  TYR  24           HE1      TYR  24  -4.631  -8.848 -14.406
  107    HE2  TYR  24           HE2      TYR  24  -7.865 -11.509 -13.387
  108    HH   TYR  24           HH       TYR  24  -6.842  -8.478 -15.012
  109    H    ASN  25           H        ASN  25  -0.586 -13.239 -11.900
  110    HA   ASN  25           HA       ASN  25   0.080 -15.868 -10.932
  111   1HB   ASN  25          2HB       ASN  25   2.238 -14.896 -10.411
  112   2HB   ASN  25          3HB       ASN  25   1.739 -14.550 -12.076
  113   1HD2  ASN  25          1HD2      ASN  25   3.272 -11.497 -10.455
  114   2HD2  ASN  25          2HD2      ASN  25   3.803 -13.157 -10.667
  115    H    LYS  26           H        LYS  26  -0.416 -12.716  -9.278
  116    HA   LYS  26           HA       LYS  26   0.044 -14.047  -6.671
  117   1HB   LYS  26          2HB       LYS  26  -0.680 -11.172  -7.273
  118   2HB   LYS  26          3HB       LYS  26  -0.166 -11.846  -5.723
  119   1HG   LYS  26          2HG       LYS  26   1.566 -11.745  -8.232
  120   2HG   LYS  26          3HG       LYS  26   1.593 -10.566  -6.930
  121   1HD   LYS  26          2HD       LYS  26   2.254 -12.355  -5.311
  122   2HD   LYS  26          3HD       LYS  26   2.239 -13.541  -6.625
  123   1HE   LYS  26          2HE       LYS  26   4.513 -12.827  -6.179
  124   2HE   LYS  26          3HE       LYS  26   4.021 -12.318  -7.803
  125   1HZ   LYS  26          2HZ       LYS  26   3.631 -10.115  -6.900
  126   2HZ   LYS  26          3HZ       LYS  26   4.115 -10.610  -5.402
  127   3HZ   LYS  26          1HZ       LYS  26   5.177 -10.606  -6.657
  128    H    ASN  27           H        ASN  27  -1.492 -14.606  -5.202
  129    HA   ASN  27           HA       ASN  27  -4.163 -14.990  -5.984
  130   1HB   ASN  27          2HB       ASN  27  -3.199 -16.201  -4.115
  131   2HB   ASN  27          3HB       ASN  27  -3.001 -14.695  -3.188
  132   1HD2  ASN  27          1HD2      ASN  27  -6.712 -16.433  -3.473
  133   2HD2  ASN  27          2HD2      ASN  27  -5.405 -17.004  -4.496
  134    H    TRP  28           H        TRP  28  -2.749 -12.296  -4.061
  135    HA   TRP  28           HA       TRP  28  -5.120 -10.863  -3.532
  136   1HB   TRP  28          2HB       TRP  28  -3.783  -8.995  -3.113
  137   2HB   TRP  28          3HB       TRP  28  -2.965 -10.407  -2.481
  138    HD1  TRP  28           HD1      TRP  28  -0.533 -10.771  -3.196
  139    HE1  TRP  28           HE1      TRP  28   1.144  -9.627  -4.745
  140    HE3  TRP  28           HE3      TRP  28  -3.687  -7.454  -5.531
  141    HZ2  TRP  28           HZ2      TRP  28   1.107  -7.635  -6.838
  142    HZ3  TRP  28           HZ3      TRP  28  -2.846  -6.016  -7.344
  143    HH2  TRP  28           HH2      TRP  28  -0.469  -6.112  -8.033
  144    H    LYS  29           H        LYS  29  -3.044 -10.878  -6.437
  145    HA   LYS  29           HA       LYS  29  -4.314  -8.653  -7.729
  146   1HB   LYS  29          2HB       LYS  29  -2.028  -9.609  -8.098
  147   2HB   LYS  29          3HB       LYS  29  -2.769 -10.944  -9.001
  148   1HG   LYS  29          2HG       LYS  29  -3.732  -9.246 -10.567
  149   2HG   LYS  29          3HG       LYS  29  -2.906  -7.962  -9.670
  150   1HD   LYS  29          2HD       LYS  29  -1.453 -10.338 -10.943
  151   2HD   LYS  29          3HD       LYS  29  -1.709  -8.800 -11.757
  152   1HE   LYS  29          2HE       LYS  29  -0.344  -7.654 -10.050
  153   2HE   LYS  29          3HE       LYS  29  -0.165  -9.161  -9.138
  154   1HZ   LYS  29          3HZ       LYS  29   0.778  -8.777 -11.873
  155   2HZ   LYS  29          1HZ       LYS  29   1.710  -8.735 -10.506
  156   3HZ   LYS  29          2HZ       LYS  29   0.950 -10.135 -10.948
  157    H    LEU  30           H        LEU  30  -4.731 -12.247  -7.908
  158    HA   LEU  30           HA       LEU  30  -6.893 -12.073  -9.737
  159   1HB   LEU  30          2HB       LEU  30  -5.702 -14.187  -9.306
  160   2HB   LEU  30          3HB       LEU  30  -6.314 -14.194  -7.647
  161    HG   LEU  30           HG       LEU  30  -8.643 -14.353  -8.498
  162   1HD1  LEU  30          1HD1      LEU  30  -7.325 -14.654 -11.248
  163   2HD1  LEU  30          2HD1      LEU  30  -9.030 -14.890 -10.890
  164   3HD1  LEU  30          3HD1      LEU  30  -8.357 -13.282 -10.769
  165   1HD2  LEU  30          2HD2      LEU  30  -7.277 -16.378  -7.975
  166   2HD2  LEU  30          3HD2      LEU  30  -8.558 -16.655  -9.178
  167   3HD2  LEU  30          1HD2      LEU  30  -6.878 -16.480  -9.707
  168    H    GLN  31           H        GLN  31  -6.798 -11.884  -6.141
  169    HA   GLN  31           HA       GLN  31  -9.619 -11.896  -5.743
  170   1HB   GLN  31          2HB       GLN  31  -7.552 -10.379  -4.107
  171   2HB   GLN  31          3HB       GLN  31  -9.217 -10.694  -3.683
  172   1HG   GLN  31          2HG       GLN  31  -6.856 -12.511  -3.561
  173   2HG   GLN  31          3HG       GLN  31  -8.203 -12.352  -2.464
  174   1HE2  GLN  31          1HE2      GLN  31  -8.296 -15.144  -5.458
  175   2HE2  GLN  31          2HE2      GLN  31  -6.987 -13.965  -5.324
  176    H    ALA  32           H        ALA  32  -7.349  -9.200  -6.331
  177    HA   ALA  32           HA       ALA  32  -9.275  -7.110  -6.301
  178   1HB   ALA  32          3HB       ALA  32  -6.798  -6.801  -6.260
  179   2HB   ALA  32          1HB       ALA  32  -6.714  -7.341  -7.952
  180   3HB   ALA  32          2HB       ALA  32  -7.568  -5.837  -7.544
  181    H    HIS  33           H        HIS  33  -8.263  -9.284  -9.000
  182    HA   HIS  33           HA       HIS  33 -10.034  -8.017 -10.877
  183   1HB   HIS  33          2HB       HIS  33  -8.257  -9.510 -11.568
  184   2HB   HIS  33          3HB       HIS  33  -9.061 -10.881 -10.796
  185    HD1  HIS  33           HD1      HIS  33  -9.068  -8.954 -14.011
  186    HD2  HIS  33           HD2      HIS  33 -11.503 -11.641 -11.886
  187    HE1  HIS  33           HE1      HIS  33 -10.905  -9.706 -15.617
  188    H    LEU  34           H        LEU  34 -10.543 -10.971  -8.840
  189    HA   LEU  34           HA       LEU  34 -13.208 -11.490  -9.444
  190   1HB   LEU  34          2HB       LEU  34 -11.478 -11.972  -7.046
  191   2HB   LEU  34          3HB       LEU  34 -13.205 -12.159  -6.839
  192    HG   LEU  34           HG       LEU  34 -13.411 -13.785  -8.456
  193   1HD1  LEU  34          1HD1      LEU  34 -10.527 -13.358  -9.273
  194   2HD1  LEU  34          2HD1      LEU  34 -11.476 -14.788  -9.720
  195   3HD1  LEU  34          3HD1      LEU  34 -11.976 -13.192 -10.278
  196   1HD2  LEU  34          3HD2      LEU  34 -12.564 -14.485  -6.236
  197   2HD2  LEU  34          1HD2      LEU  34 -11.997 -15.590  -7.504
  198   3HD2  LEU  34          2HD2      LEU  34 -10.894 -14.366  -6.831
  199    H    SER  35           H        SER  35 -11.997  -9.040  -7.179
  200    HA   SER  35           HA       SER  35 -14.403  -8.384  -5.938
  201   1HB   SER  35          2HB       SER  35 -13.589  -6.320  -5.326
  202   2HB   SER  35          3HB       SER  35 -12.167  -7.369  -5.382
  203    HG   SER  35           HG       SER  35 -11.762  -6.410  -7.491
  204    H    LYS  36           H        LYS  36 -13.461  -7.615  -9.280
  205    HA   LYS  36           HA       LYS  36 -15.394  -5.663  -9.936
  206   1HB   LYS  36          2HB       LYS  36 -14.343  -7.997 -11.594
  207   2HB   LYS  36          3HB       LYS  36 -15.212  -6.605 -12.238
  208   1HG   LYS  36          2HG       LYS  36 -13.438  -5.093 -11.674
  209   2HG   LYS  36          3HG       LYS  36 -12.564  -6.331 -10.755
  210   1HD   LYS  36          2HD       LYS  36 -12.234  -7.702 -12.734
  211   2HD   LYS  36          3HD       LYS  36 -13.186  -6.599 -13.733
  212   1HE   LYS  36          2HE       LYS  36 -10.608  -5.812 -12.293
  213   2HE   LYS  36          3HE       LYS  36 -10.685  -6.353 -13.979
  214   1HZ   LYS  36          2HZ       LYS  36 -12.150  -4.525 -14.446
  215   2HZ   LYS  36          3HZ       LYS  36 -12.040  -3.992 -12.891
  216   3HZ   LYS  36          1HZ       LYS  36 -10.706  -3.995 -13.857
  217    H    HIS  37           H        HIS  37 -15.635  -9.221  -9.804
  218    HA   HIS  37           HA       HIS  37 -18.440  -9.204 -10.755
  219   1HB   HIS  37          2HB       HIS  37 -16.665 -11.495  -9.876
  220   2HB   HIS  37          3HB       HIS  37 -18.213 -11.614 -10.707
  221    HD1  HIS  37           HD1      HIS  37 -18.120 -11.550 -13.319
  222    HD2  HIS  37           HD2      HIS  37 -14.492 -11.045 -11.281
  223    HE1  HIS  37           HE1      HIS  37 -16.267 -12.161 -14.961
  224    H    THR  38           H        THR  38 -16.551 -10.307  -7.962
  225    HA   THR  38           HA       THR  38 -18.813 -11.237  -6.449
  226    HB   THR  38           HB       THR  38 -17.155 -11.707  -4.744
  227    HG1  THR  38          1HG       THR  38 -15.315 -10.330  -6.408
  228   1HG2  THR  38          3HG2      THR  38 -17.199 -13.275  -6.647
  229   2HG2  THR  38          1HG2      THR  38 -15.943 -12.327  -7.478
  230   3HG2  THR  38          2HG2      THR  38 -15.574 -13.123  -5.946
  231    H    GLY  39           H        GLY  39 -16.966  -8.170  -6.446
  232   1HA   GLY  39          2HA       GLY  39 -17.345  -6.229  -5.283
  233   2HA   GLY  39          3HA       GLY  39 -18.815  -6.918  -4.581
  234    H    GLU  40           H        GLU  40 -16.114  -9.065  -4.177
  235    HA   GLU  40           HA       GLU  40 -16.114  -8.551  -1.305
  236   1HB   GLU  40          2HB       GLU  40 -14.603 -10.485  -3.100
  237   2HB   GLU  40          3HB       GLU  40 -14.367 -10.398  -1.351
  238   1HG   GLU  40          2HG       GLU  40 -16.703 -10.927  -0.914
  239   2HG   GLU  40          3HG       GLU  40 -17.085 -10.907  -2.635
  240    H    LYS  41           H        LYS  41 -14.408  -7.869  -0.049
  241    HA   LYS  41           HA       LYS  41 -11.979  -6.752  -1.360
  242   1HB   LYS  41          2HB       LYS  41 -13.488  -5.261   0.812
  243   2HB   LYS  41          3HB       LYS  41 -12.160  -4.708  -0.220
  244   1HG   LYS  41          2HG       LYS  41 -13.836  -5.076  -2.204
  245   2HG   LYS  41          3HG       LYS  41 -15.064  -5.259  -0.934
  246   1HD   LYS  41          2HD       LYS  41 -15.300  -3.026  -1.329
  247   2HD   LYS  41          3HD       LYS  41 -14.059  -2.978  -0.062
  248   1HE   LYS  41          2HE       LYS  41 -12.317  -2.938  -1.943
  249   2HE   LYS  41          3HE       LYS  41 -13.659  -2.750  -3.086
  250   1HZ   LYS  41          1HZ       LYS  41 -14.272  -0.749  -1.872
  251   2HZ   LYS  41          2HZ       LYS  41 -12.979  -0.974  -0.858
  252   3HZ   LYS  41          3HZ       LYS  41 -12.723  -0.653  -2.448
  253    HA   PRO  42           HA       PRO  42 -11.418 -10.037   1.891
  254   1HB   PRO  42          2HB       PRO  42  -8.777  -9.955   0.423
  255   2HB   PRO  42          3HB       PRO  42  -9.599 -11.376   1.133
  256   1HG   PRO  42          2HG       PRO  42  -9.821 -10.834  -1.509
  257   2HG   PRO  42          3HG       PRO  42 -11.293 -11.293  -0.590
  258   1HD   PRO  42          2HD       PRO  42 -10.352  -8.585  -1.472
  259   2HD   PRO  42          3HD       PRO  42 -11.992  -9.267  -1.466
  260    H    PHE  43           H        PHE  43  -9.408  -7.123   1.484
  261    HA   PHE  43           HA       PHE  43  -8.067  -7.679   4.111
  262   1HB   PHE  43          2HB       PHE  43  -7.185  -6.050   1.730
  263   2HB   PHE  43          3HB       PHE  43  -6.371  -6.114   3.280
  264    HD1  PHE  43           HD1      PHE  43  -5.245  -8.166   4.073
  265    HD2  PHE  43           HD2      PHE  43  -7.167  -8.076   0.210
  266    HE1  PHE  43           HE1      PHE  43  -4.127 -10.285   3.451
  267    HE2  PHE  43           HE2      PHE  43  -5.999 -10.146  -0.423
  268    HZ   PHE  43           HZ       PHE  43  -4.472 -11.264   1.192
  269    HA   PRO  44           HA       PRO  44 -10.754  -4.033   4.917
  270   1HB   PRO  44          2HB       PRO  44 -11.809  -4.706   7.327
  271   2HB   PRO  44          3HB       PRO  44 -12.414  -5.420   5.803
  272   1HG   PRO  44          2HG       PRO  44 -10.355  -6.597   7.690
  273   2HG   PRO  44          3HG       PRO  44 -11.828  -7.398   7.064
  274   1HD   PRO  44          2HD       PRO  44  -9.382  -7.750   5.914
  275   2HD   PRO  44          3HD       PRO  44 -10.867  -7.646   4.920
  276    H    CYS  45           H        CYS  45 -10.349  -2.269   6.313
  277    HA   CYS  45           HA       CYS  45  -7.665  -2.212   7.508
  278   1HB   CYS  45          2HB       CYS  45  -8.426  -0.411   6.114
  279   2HB   CYS  45          3HB       CYS  45  -9.810  -0.114   7.179
  280    H    LYS  46           H        LYS  46 -10.816  -2.862   8.688
  281    HA   LYS  46           HA       LYS  46 -11.604  -3.441  10.681
  282   1HB   LYS  46          2HB       LYS  46  -8.803  -3.207  11.798
  283   2HB   LYS  46          3HB       LYS  46 -10.186  -3.994  12.533
  284   1HG   LYS  46          2HG       LYS  46  -8.932  -4.869   9.894
  285   2HG   LYS  46          3HG       LYS  46  -8.567  -5.543  11.486
  286   1HD   LYS  46          2HD       LYS  46 -11.089  -6.045  11.710
  287   2HD   LYS  46          3HD       LYS  46 -11.199  -5.687   9.973
  288   1HE   LYS  46          2HE       LYS  46  -9.383  -7.435   9.595
  289   2HE   LYS  46          3HE       LYS  46  -9.471  -7.823  11.318
  290   1HZ   LYS  46          3HZ       LYS  46 -11.764  -8.404  11.019
  291   2HZ   LYS  46          1HZ       LYS  46 -11.693  -8.042   9.412
  292   3HZ   LYS  46          2HZ       LYS  46 -10.805  -9.292  10.017
  293    H    GLU  47           H        GLU  47  -9.267  -0.785  11.139
  294    HA   GLU  47           HA       GLU  47  -9.999   0.369  13.445
  295   1HB   GLU  47          2HB       GLU  47  -9.366   1.768  10.816
  296   2HB   GLU  47          3HB       GLU  47  -9.421   2.583  12.387
  297   1HG   GLU  47          2HG       GLU  47  -7.677   1.020  13.258
  298   2HG   GLU  47          3HG       GLU  47  -7.556   0.271  11.658
  299    H    GLU  48           H        GLU  48 -11.616   1.446  14.382
  300    HA   GLU  48           HA       GLU  48 -14.228   1.487  13.319
  301   1HB   GLU  48          2HB       GLU  48 -12.987   3.210  15.516
  302   2HB   GLU  48          3HB       GLU  48 -14.719   3.052  15.220
  303   1HG   GLU  48          2HG       GLU  48 -12.848   0.769  16.022
  304   2HG   GLU  48          3HG       GLU  48 -13.989   1.606  17.080
  305    H    GLY  49           H        GLY  49 -15.420   3.033  12.221
  306   1HA   GLY  49          2HA       GLY  49 -15.870   4.965  11.034
  307   2HA   GLY  49          3HA       GLY  49 -14.410   5.728  11.686
  308    H    CYS  50           H        CYS  50 -12.312   4.477  10.897
  309    HA   CYS  50           HA       CYS  50 -12.289   4.578   7.956
  310   1HB   CYS  50          2HB       CYS  50 -10.529   5.601   9.347
  311   2HB   CYS  50          3HB       CYS  50 -10.083   4.011   9.971
  312    H    GLU  51           H        GLU  51 -14.011   2.574   8.635
  313    HA   GLU  51           HA       GLU  51 -12.611   0.001   8.714
  314   1HB   GLU  51          2HB       GLU  51 -14.766   0.561   9.923
  315   2HB   GLU  51          3HB       GLU  51 -15.574   0.513   8.341
  316   1HG   GLU  51          2HG       GLU  51 -14.742  -1.837   8.054
  317   2HG   GLU  51          3HG       GLU  51 -13.956  -1.729   9.641
  318    H    LYS  52           H        LYS  52 -11.478   1.021   6.718
  319    HA   LYS  52           HA       LYS  52 -12.828   1.007   4.172
  320   1HB   LYS  52          2HB       LYS  52  -9.890   0.559   4.763
  321   2HB   LYS  52          3HB       LYS  52 -10.567   1.069   3.217
  322   1HG   LYS  52          2HG       LYS  52 -10.761   2.753   5.761
  323   2HG   LYS  52          3HG       LYS  52  -9.412   2.835   4.636
  324   1HD   LYS  52          2HD       LYS  52 -10.938   3.437   2.789
  325   2HD   LYS  52          3HD       LYS  52 -12.328   3.364   3.896
  326   1HE   LYS  52          2HE       LYS  52 -11.408   5.189   5.247
  327   2HE   LYS  52          3HE       LYS  52  -9.915   5.199   4.287
  328   1HZ   LYS  52          1HZ       LYS  52 -12.585   5.821   3.246
  329   2HZ   LYS  52          2HZ       LYS  52 -11.417   6.920   3.629
  330   3HZ   LYS  52          3HZ       LYS  52 -11.169   5.854   2.398
  331    H    GLY  53           H        GLY  53 -12.369  -0.518   2.412
  332   1HA   GLY  53          2HA       GLY  53 -11.897  -3.368   3.205
  333   2HA   GLY  53          3HA       GLY  53 -13.185  -2.854   2.115
  334    H    PHE  54           H        PHE  54  -9.837  -3.677   2.315
  335    HA   PHE  54           HA       PHE  54  -9.312  -2.549  -0.400
  336   1HB   PHE  54          2HB       PHE  54  -7.445  -3.341   1.840
  337   2HB   PHE  54          3HB       PHE  54  -6.921  -3.127   0.184
  338    HD1  PHE  54           HD1      PHE  54  -7.184  -0.966  -0.990
  339    HD2  PHE  54           HD2      PHE  54  -8.236  -1.348   3.158
  340    HE1  PHE  54           HE1      PHE  54  -7.066   1.492  -0.745
  341    HE2  PHE  54           HE2      PHE  54  -8.111   1.119   3.406
  342    HZ   PHE  54           HZ       PHE  54  -7.668   2.546   1.429
  343    H    THR  55           H        THR  55  -8.495  -3.917  -2.055
  344    HA   THR  55           HA       THR  55  -9.426  -6.689  -1.876
  345    HB   THR  55           HB       THR  55  -8.693  -6.456  -4.343
  346    HG1  THR  55          1HG       THR  55  -8.558  -4.225  -4.970
  347   1HG2  THR  55          3HG2      THR  55 -10.867  -4.616  -3.219
  348   2HG2  THR  55          1HG2      THR  55 -10.755  -5.174  -4.899
  349   3HG2  THR  55          2HG2      THR  55 -11.058  -6.340  -3.593
  350    H    SER  56           H        SER  56  -6.429  -5.126  -1.225
  351    HA   SER  56           HA       SER  56  -5.094  -7.745  -1.367
  352   1HB   SER  56          2HB       SER  56  -3.209  -6.863  -2.668
  353   2HB   SER  56          3HB       SER  56  -4.722  -6.769  -3.589
  354    HG   SER  56           HG       SER  56  -4.852  -4.589  -3.001
  355    H    LEU  57           H        LEU  57  -3.370  -7.915   0.022
  356    HA   LEU  57           HA       LEU  57  -3.255  -6.252   2.300
  357   1HB   LEU  57          2HB       LEU  57  -2.423  -8.584   2.230
  358   2HB   LEU  57          3HB       LEU  57  -1.153  -8.118   1.099
  359    HG   LEU  57           HG       LEU  57  -0.082  -6.744   2.821
  360   1HD1  LEU  57          3HD1      LEU  57  -2.406  -7.609   4.604
  361   2HD1  LEU  57          1HD1      LEU  57  -0.905  -6.865   5.194
  362   3HD1  LEU  57          2HD1      LEU  57  -1.979  -5.944   4.142
  363   1HD2  LEU  57          1HD2      LEU  57   0.450  -9.156   2.663
  364   2HD2  LEU  57          2HD2      LEU  57   0.602  -8.556   4.327
  365   3HD2  LEU  57          3HD2      LEU  57  -0.816  -9.514   3.857
  366    H    HIS  58           H        HIS  58  -1.521  -6.236  -0.807
  367    HA   HIS  58           HA       HIS  58   0.406  -4.286  -0.099
  368   1HB   HIS  58          2HB       HIS  58   1.213  -4.615  -2.109
  369   2HB   HIS  58          3HB       HIS  58   0.068  -5.917  -2.247
  370    HD1  HIS  58           HD1      HIS  58  -0.943  -5.779  -4.653
  371    HD2  HIS  58           HD2      HIS  58   0.135  -2.063  -2.992
  372    HE1  HIS  58           HE1      HIS  58  -1.305  -4.014  -6.457
  373    H    HIS  59           H        HIS  59  -2.878  -3.870  -1.676
  374    HA   HIS  59           HA       HIS  59  -2.606  -1.003  -1.729
  375   1HB   HIS  59          2HB       HIS  59  -5.091  -2.742  -1.703
  376   2HB   HIS  59          3HB       HIS  59  -5.094  -0.975  -1.708
  377    HD1  HIS  59           HD1      HIS  59  -3.373  -3.588  -4.005
  378    HD2  HIS  59           HD2      HIS  59  -5.401   0.111  -3.985
  379    HE1  HIS  59           HE1      HIS  59  -3.559  -2.829  -6.462
  380    HE2  HIS  59           HE2      HIS  59  -4.759  -0.593  -6.447
  381    H    LEU  60           H        LEU  60  -3.776  -3.306   0.788
  382    HA   LEU  60           HA       LEU  60  -4.627  -1.287   2.577
  383   1HB   LEU  60          2HB       LEU  60  -5.013  -3.797   2.790
  384   2HB   LEU  60          3HB       LEU  60  -3.346  -3.932   3.360
  385    HG   LEU  60           HG       LEU  60  -3.921  -2.327   5.234
  386   1HD1  LEU  60          3HD1      LEU  60  -6.758  -2.804   4.199
  387   2HD1  LEU  60          1HD1      LEU  60  -6.342  -2.080   5.765
  388   3HD1  LEU  60          2HD1      LEU  60  -5.929  -1.230   4.286
  389   1HD2  LEU  60          3HD2      LEU  60  -3.872  -4.788   5.551
  390   2HD2  LEU  60          1HD2      LEU  60  -5.099  -4.012   6.566
  391   3HD2  LEU  60          2HD2      LEU  60  -5.588  -4.874   5.096
  392    H    THR  61           H        THR  61  -1.402  -2.662   1.946
  393    HA   THR  61           HA       THR  61  -0.009  -1.299   4.024
  394    HB   THR  61           HB       THR  61   1.114  -2.186   1.348
  395    HG1  THR  61          1HG       THR  61   0.018  -3.847   2.602
  396   1HG2  THR  61          3HG2      THR  61   2.422  -1.731   4.059
  397   2HG2  THR  61          1HG2      THR  61   3.215  -2.407   2.624
  398   3HG2  THR  61          2HG2      THR  61   2.656  -0.726   2.609
  399    H    ARG  62           H        ARG  62  -0.592  -0.373   0.542
  400    HA   ARG  62           HA       ARG  62   0.809   2.090   0.834
  401   1HB   ARG  62          2HB       ARG  62   0.190   2.718  -1.220
  402   2HB   ARG  62          3HB       ARG  62  -0.023   0.969  -1.362
  403   1HG   ARG  62          2HG       ARG  62  -2.503   1.324  -1.049
  404   2HG   ARG  62          3HG       ARG  62  -2.217   3.062  -0.868
  405   1HD   ARG  62          2HD       ARG  62  -2.976   2.640  -3.055
  406   2HD   ARG  62          3HD       ARG  62  -1.263   3.126  -3.151
  407    HE   ARG  62           HE       ARG  62  -1.327   0.306  -3.058
  408   1HH1  ARG  62          2HH1      ARG  62  -2.511   2.922  -5.115
  409   2HH1  ARG  62          1HH1      ARG  62  -2.528   1.980  -6.574
  410   1HH2  ARG  62          1HH2      ARG  62  -1.287  -0.981  -5.064
  411   2HH2  ARG  62          2HH2      ARG  62  -1.783  -0.194  -6.530
  412    H    HIS  63           H        HIS  63  -2.634   1.263   1.389
  413    HA   HIS  63           HA       HIS  63  -3.548   3.867   2.050
  414   1HB   HIS  63          2HB       HIS  63  -5.077   2.054   1.691
  415   2HB   HIS  63          3HB       HIS  63  -4.402   1.113   3.019
  416    HD1  HIS  63           HD1      HIS  63  -5.991   4.660   2.786
  417    HD2  HIS  63           HD2      HIS  63  -5.693   1.263   5.256
  418    HE1  HIS  63           HE1      HIS  63  -7.280   5.187   4.927
  419    H    SER  64           H        SER  64  -1.951   1.364   4.061
  420    HA   SER  64           HA       SER  64  -2.114   2.713   6.520
  421   1HB   SER  64          2HB       SER  64   0.157   0.904   5.639
  422   2HB   SER  64          3HB       SER  64  -0.309   1.345   7.289
  423    HG   SER  64           HG       SER  64  -1.992  -0.029   5.446
  424    H    LEU  65           H        LEU  65  -0.171   3.652   3.731
  425    HA   LEU  65           HA       LEU  65   1.881   5.094   5.066
  426   1HB   LEU  65          2HB       LEU  65   0.412   5.844   2.526
  427   2HB   LEU  65          3HB       LEU  65   1.918   6.553   3.092
  428    HG   LEU  65           HG       LEU  65   1.649   3.617   2.367
  429   1HD1  LEU  65          3HD1      LEU  65   1.277   5.123   0.420
  430   2HD1  LEU  65          1HD1      LEU  65   2.778   5.975   0.827
  431   3HD1  LEU  65          2HD1      LEU  65   2.835   4.280   0.291
  432   1HD2  LEU  65          2HD2      LEU  65   4.103   5.353   2.846
  433   2HD2  LEU  65          3HD2      LEU  65   3.520   4.058   3.925
  434   3HD2  LEU  65          1HD2      LEU  65   4.107   3.665   2.307
  435    H    THR  66           H        THR  66  -1.575   5.798   4.514
  436    HA   THR  66           HA       THR  66  -1.414   8.562   5.289
  437    HB   THR  66           HB       THR  66  -3.795   8.565   5.285
  438    HG1  THR  66          1HG       THR  66  -3.708   5.735   5.071
  439   1HG2  THR  66          2HG2      THR  66  -2.609   8.441   3.068
  440   2HG2  THR  66          3HG2      THR  66  -2.912   6.690   3.034
  441   3HG2  THR  66          1HG2      THR  66  -4.272   7.825   3.036
  442    H    HIS  67           H        HIS  67  -1.911   5.544   7.107
  443    HA   HIS  67           HA       HIS  67  -2.663   6.924   9.579
  444   1HB   HIS  67          2HB       HIS  67  -1.881   4.050   8.925
  445   2HB   HIS  67          3HB       HIS  67  -2.213   4.614  10.562
  446    HD1  HIS  67           HD1      HIS  67  -4.788   5.891  10.765
  447    HD2  HIS  67           HD2      HIS  67  -4.014   3.098   7.710
  448    HE1  HIS  67           HE1      HIS  67  -7.054   5.133   9.876
  449    H    THR  68           H        THR  68   0.249   5.291   8.294
  450    HA   THR  68           HA       THR  68   1.895   5.898  10.591
  451    HB   THR  68           HB       THR  68   3.762   5.290   9.015
  452    HG1  THR  68          1HG       THR  68   1.666   4.694   7.202
  453   1HG2  THR  68          2HG2      THR  68   1.392   3.354   9.081
  454   2HG2  THR  68          3HG2      THR  68   3.084   2.933   8.743
  455   3HG2  THR  68          1HG2      THR  68   2.625   3.545  10.344
  456    H    GLY  69           H        GLY  69   1.035   7.656   7.649
  457   1HA   GLY  69          2HA       GLY  69   1.257   9.887   7.177
  458   2HA   GLY  69          3HA       GLY  69   2.188  10.145   8.665
  459    H    GLU  70           H        GLU  70   2.913   7.622   6.283
  460    HA   GLU  70           HA       GLU  70   5.652   8.619   5.999
  461   1HB   GLU  70          2HB       GLU  70   4.171   6.185   5.013
  462   2HB   GLU  70          3HB       GLU  70   5.855   6.504   4.566
  463   1HG   GLU  70          2HG       GLU  70   6.577   6.490   6.866
  464   2HG   GLU  70          3HG       GLU  70   4.912   6.387   7.442
  465    H    LYS  71           H        LYS  71   4.056  10.561   5.052
  466    HA   LYS  71           HA       LYS  71   3.759  10.479   2.128
  467   1HB   LYS  71          2HB       LYS  71   2.186  11.571   3.746
  468   2HB   LYS  71          3HB       LYS  71   3.471  12.700   4.181
  469   1HG   LYS  71          2HG       LYS  71   3.480  13.503   1.775
  470   2HG   LYS  71          3HG       LYS  71   2.110  12.414   1.468
  471   1HD   LYS  71          2HD       LYS  71   0.852  13.573   3.335
  472   2HD   LYS  71          3HD       LYS  71   2.230  14.681   3.519
  473   1HE   LYS  71          2HE       LYS  71   1.934  15.390   1.134
  474   2HE   LYS  71          3HE       LYS  71   0.513  14.325   1.031
  475   1HZ   LYS  71          3HZ       LYS  71  -0.503  15.633   2.753
  476   2HZ   LYS  71          1HZ       LYS  71   0.823  16.609   2.851
  477   3HZ   LYS  71          2HZ       LYS  71  -0.081  16.587   1.474
  478    H    ASN  72           H        ASN  72   6.211   9.815   2.221
  479    HA   ASN  72           HA       ASN  72   7.969  12.259   2.342
  480   1HB   ASN  72          2HB       ASN  72   8.650   9.351   2.824
  481   2HB   ASN  72          3HB       ASN  72   9.795  10.696   2.872
  482   1HD2  ASN  72          1HD2      ASN  72   7.721   9.896   6.197
  483   2HD2  ASN  72          2HD2      ASN  72   7.768   8.805   4.818
  484    H    PHE  73           H        PHE  73   6.525  10.635  -0.137
  485    HA   PHE  73           HA       PHE  73   8.948  10.135  -1.706
  486   1HB   PHE  73          2HB       PHE  73   6.040  10.256  -2.541
  487   2HB   PHE  73          3HB       PHE  73   7.394   9.812  -3.576
  488    HD1  PHE  73           HD1      PHE  73   9.024   7.944  -2.644
  489    HD2  PHE  73           HD2      PHE  73   5.053   8.596  -1.138
  490    HE1  PHE  73           HE1      PHE  73   9.087   5.742  -1.547
  491    HE2  PHE  73           HE2      PHE  73   5.068   6.356  -0.095
  492    HZ   PHE  73           HZ       PHE  73   7.119   4.944  -0.221
  493    H    THR  74           H        THR  74  10.002  11.961  -1.403
  494    HA   THR  74           HA       THR  74   9.097  14.608  -1.993
  495    HB   THR  74           HB       THR  74  11.871  13.491  -1.544
  496    HG1  THR  74          1HG       THR  74  10.359  13.019   0.149
  497   1HG2  THR  74          3HG2      THR  74  10.762  16.310  -1.187
  498   2HG2  THR  74          1HG2      THR  74  12.396  15.764  -0.753
  499   3HG2  THR  74          2HG2      THR  74  11.912  15.797  -2.448
  500    H    CYS  75           H        CYS  75   8.939  15.565  -3.923
  501    HA   CYS  75           HA       CYS  75   9.934  14.530  -6.402
  502   1HB   CYS  75          2HB       CYS  75   8.148  16.060  -6.521
  503   2HB   CYS  75          3HB       CYS  75   8.930  17.223  -5.443
  504    H    ASP  76           H        ASP  76  12.037  14.415  -6.995
  505    HA   ASP  76           HA       ASP  76  14.112  15.722  -5.466
  506   1HB   ASP  76          2HB       ASP  76  14.409  13.490  -6.360
  507   2HB   ASP  76          3HB       ASP  76  14.205  14.083  -8.024
  508    H    SER  77           H        SER  77  13.172  17.902  -5.816
  509    HA   SER  77           HA       SER  77  14.666  19.290  -7.939
  510   1HB   SER  77          2HB       SER  77  12.449  18.784  -8.982
  511   2HB   SER  77          3HB       SER  77  11.647  19.624  -7.640
  512    HG   SER  77           HG       SER  77  12.758  21.527  -8.294
  513    H    ASP  78           H        ASP  78  15.754  20.777  -6.751
  514    HA   ASP  78           HA       ASP  78  15.295  21.438  -4.090
  515   1HB   ASP  78          2HB       ASP  78  16.572  23.159  -6.262
  516   2HB   ASP  78          3HB       ASP  78  16.745  23.410  -4.520
  517    H    GLY  79           H        GLY  79  14.058  22.958  -3.012
  518   1HA   GLY  79          2HA       GLY  79  12.602  24.738  -2.687
  519   2HA   GLY  79          3HA       GLY  79  12.618  25.112  -4.421
  520    H    CYS  80           H        CYS  80  11.792  22.994  -5.711
  521    HA   CYS  80           HA       CYS  80   8.987  22.589  -4.940
  522   1HB   CYS  80          2HB       CYS  80   9.635  23.075  -7.232
  523   2HB   CYS  80          3HB       CYS  80  10.679  21.663  -7.287
  524    H    ASP  81           H        ASP  81  10.565  21.556  -2.929
  525    HA   ASP  81           HA       ASP  81  10.956  18.661  -3.326
  526   1HB   ASP  81          2HB       ASP  81  11.274  20.433  -0.887
  527   2HB   ASP  81          3HB       ASP  81  11.702  18.721  -0.976
  528    H    LEU  82           H        LEU  82   8.423  19.094  -3.978
  529    HA   LEU  82           HA       LEU  82   6.559  19.005  -1.751
  530   1HB   LEU  82          2HB       LEU  82   6.342  18.309  -4.698
  531   2HB   LEU  82          3HB       LEU  82   4.967  18.182  -3.588
  532    HG   LEU  82           HG       LEU  82   6.509  20.754  -4.140
  533   1HD1  LEU  82          2HD1      LEU  82   5.377  19.915  -6.165
  534   2HD1  LEU  82          1HD1      LEU  82   3.848  19.768  -5.267
  535   3HD1  LEU  82          3HD1      LEU  82   4.570  21.366  -5.548
  536   1HD2  LEU  82          2HD2      LEU  82   3.837  20.214  -2.746
  537   2HD2  LEU  82          3HD2      LEU  82   5.316  20.828  -1.970
  538   3HD2  LEU  82          1HD2      LEU  82   4.465  21.822  -3.155
  539    H    ARG  83           H        ARG  83   5.974  17.282  -0.528
  540    HA   ARG  83           HA       ARG  83   7.093  14.616  -1.208
  541   1HB   ARG  83          2HB       ARG  83   5.949  15.470   1.451
  542   2HB   ARG  83          3HB       ARG  83   6.966  14.077   1.040
  543   1HG   ARG  83          2HG       ARG  83   8.777  15.794   0.350
  544   2HG   ARG  83          3HG       ARG  83   7.761  17.009   1.144
  545   1HD   ARG  83          2HD       ARG  83   7.788  15.433   3.198
  546   2HD   ARG  83          3HD       ARG  83   9.110  14.581   2.401
  547    HE   ARG  83           HE       ARG  83   9.121  17.210   3.675
  548   1HH1  ARG  83          2HH1      ARG  83  10.866  15.198   1.283
  549   2HH1  ARG  83          1HH1      ARG  83  12.381  15.992   1.586
  550   1HH2  ARG  83          1HH2      ARG  83  11.090  18.273   3.955
  551   2HH2  ARG  83          2HH2      ARG  83  12.507  17.790   3.064
  552    H    PHE  84           H        PHE  84   5.766  13.194  -2.098
  553    HA   PHE  84           HA       PHE  84   2.827  13.623  -1.937
  554   1HB   PHE  84          2HB       PHE  84   4.497  11.939  -3.825
  555   2HB   PHE  84          3HB       PHE  84   2.755  12.128  -3.892
  556    HD1  PHE  84           HD2      PHE  84   5.991  13.989  -4.275
  557    HD2  PHE  84           HD1      PHE  84   1.732  14.030  -4.999
  558    HE1  PHE  84           HE2      PHE  84   6.197  16.155  -5.391
  559    HE2  PHE  84           HE1      PHE  84   1.996  16.148  -6.245
  560    HZ   PHE  84           HZ       PHE  84   4.169  17.337  -6.219
  561    H    THR  85           H        THR  85   1.426  11.717  -1.830
  562    HA   THR  85           HA       THR  85   2.003  10.005   0.411
  563    HB   THR  85           HB       THR  85  -0.218   8.990  -0.520
  564    HG1  THR  85          1HG       THR  85  -1.250  10.451  -1.965
  565   1HG2  THR  85          2HG2      THR  85  -0.054  10.618   1.380
  566   2HG2  THR  85          3HG2      THR  85  -0.179  11.952   0.210
  567   3HG2  THR  85          1HG2      THR  85  -1.521  10.799   0.415
  568    H    THR  86           H        THR  86   1.665   9.343  -3.132
  569    HA   THR  86           HA       THR  86   3.094   6.755  -2.624
  570    HB   THR  86           HB       THR  86   1.895   5.881  -4.557
  571    HG1  THR  86          1HG       THR  86   0.032   7.285  -5.224
  572   1HG2  THR  86          3HG2      THR  86   0.907   5.621  -2.273
  573   2HG2  THR  86          2HG2      THR  86  -0.068   7.080  -2.558
  574   3HG2  THR  86          1HG2      THR  86  -0.294   5.638  -3.571
  575    H    LYS  87           H        LYS  87   4.523   6.032  -4.197
  576    HA   LYS  87           HA       LYS  87   6.250   7.961  -5.330
  577   1HB   LYS  87          2HB       LYS  87   5.785   5.018  -5.979
  578   2HB   LYS  87          3HB       LYS  87   7.099   5.985  -6.673
  579   1HG   LYS  87          2HG       LYS  87   8.049   6.471  -4.547
  580   2HG   LYS  87          3HG       LYS  87   6.708   5.725  -3.659
  581   1HD   LYS  87          2HD       LYS  87   8.438   4.199  -5.621
  582   2HD   LYS  87          3HD       LYS  87   8.918   4.374  -3.937
  583   1HE   LYS  87          2HE       LYS  87   6.175   3.248  -4.676
  584   2HE   LYS  87          3HE       LYS  87   7.615   2.242  -4.539
  585   1HZ   LYS  87          3HZ       LYS  87   6.575   3.946  -2.400
  586   2HZ   LYS  87          1HZ       LYS  87   6.391   2.311  -2.507
  587   3HZ   LYS  87          2HZ       LYS  87   7.893   2.959  -2.313
  588    H    ALA  88           H        ALA  88   3.488   6.113  -6.747
  589    HA   ALA  88           HA       ALA  88   3.922   7.114  -9.377
  590   1HB   ALA  88          3HB       ALA  88   2.609   5.168  -8.922
  591   2HB   ALA  88          1HB       ALA  88   1.308   6.157  -8.189
  592   3HB   ALA  88          2HB       ALA  88   1.728   6.348  -9.918
  593    H    ASN  89           H        ASN  89   2.046   8.513  -6.597
  594    HA   ASN  89           HA       ASN  89   0.964  10.692  -8.131
  595   1HB   ASN  89          2HB       ASN  89   1.647  10.427  -5.173
  596   2HB   ASN  89          3HB       ASN  89   0.938  11.884  -5.882
  597   1HD2  ASN  89          1HD2      ASN  89  -1.890   9.849  -4.546
  598   2HD2  ASN  89          2HD2      ASN  89  -0.449  10.560  -3.826
  599    H    MET  90           H        MET  90   4.045  10.302  -6.340
  600    HA   MET  90           HA       MET  90   5.144  12.862  -6.915
  601   1HB   MET  90          2HB       MET  90   6.133  11.346  -5.266
  602   2HB   MET  90          3HB       MET  90   6.483  10.168  -6.517
  603   1HG   MET  90          2HG       MET  90   8.033  11.859  -7.591
  604   2HG   MET  90          3HG       MET  90   7.759  12.882  -6.178
  605   1HE   MET  90          2HE       MET  90   9.125   9.446  -7.550
  606   2HE   MET  90          3HE       MET  90   9.979   8.799  -6.123
  607   3HE   MET  90          1HE       MET  90   8.218   8.827  -6.148
  608    H    LYS  91           H        LYS  91   5.348   9.795  -8.795
  609    HA   LYS  91           HA       LYS  91   6.940  10.820 -10.934
  610   1HB   LYS  91          2HB       LYS  91   4.851   8.610 -10.932
  611   2HB   LYS  91          3HB       LYS  91   5.950   8.939 -12.263
  612   1HG   LYS  91          2HG       LYS  91   6.891   8.155  -9.464
  613   2HG   LYS  91          3HG       LYS  91   6.616   7.043 -10.809
  614   1HD   LYS  91          2HD       LYS  91   8.319   8.466 -12.124
  615   2HD   LYS  91          3HD       LYS  91   8.696   9.249 -10.565
  616   1HE   LYS  91          2HE       LYS  91   9.203   7.021  -9.582
  617   2HE   LYS  91          3HE       LYS  91   8.830   6.246 -11.141
  618   1HZ   LYS  91          1HZ       LYS  91  10.627   7.478 -12.109
  619   2HZ   LYS  91          2HZ       LYS  91  10.981   8.187 -10.664
  620   3HZ   LYS  91          3HZ       LYS  91  11.159   6.559 -10.851
  621    H    LYS  92           H        LYS  92   3.346  10.567 -10.709
  622    HA   LYS  92           HA       LYS  92   2.813  11.796 -13.193
  623   1HB   LYS  92          2HB       LYS  92   1.192  11.862 -10.618
  624   2HB   LYS  92          3HB       LYS  92   0.643  12.477 -12.194
  625   1HG   LYS  92          2HG       LYS  92   1.236  10.115 -13.099
  626   2HG   LYS  92          3HG       LYS  92   1.188   9.602 -11.414
  627   1HD   LYS  92          2HD       LYS  92  -1.078  10.936 -12.987
  628   2HD   LYS  92          3HD       LYS  92  -0.923   9.224 -12.597
  629   1HE   LYS  92          2HE       LYS  92  -2.463   9.968 -11.058
  630   2HE   LYS  92          3HE       LYS  92  -0.973   9.937 -10.098
  631   1HZ   LYS  92          3HZ       LYS  92  -2.198  12.297 -11.355
  632   2HZ   LYS  92          1HZ       LYS  92  -2.248  11.915  -9.754
  633   3HZ   LYS  92          2HZ       LYS  92  -0.811  12.302 -10.467
  634    H    HIS  93           H        HIS  93   3.332  13.323  -9.958
  635    HA   HIS  93           HA       HIS  93   2.925  16.015 -10.864
  636   1HB   HIS  93          2HB       HIS  93   3.001  15.695  -8.535
  637   2HB   HIS  93          3HB       HIS  93   4.525  14.812  -8.594
  638    HD1  HIS  93           HD1      HIS  93   3.303  18.478  -9.031
  639    HD2  HIS  93           HD2      HIS  93   6.796  16.153  -8.668
  640    HE1  HIS  93           HE1      HIS  93   5.250  20.100  -8.897
  641    H    PHE  94           H        PHE  94   5.949  14.110 -10.539
  642    HA   PHE  94           HA       PHE  94   7.683  16.073 -11.513
  643   1HB   PHE  94          2HB       PHE  94   8.188  13.789 -10.426
  644   2HB   PHE  94          3HB       PHE  94   8.067  13.104 -12.042
  645    HD1  PHE  94           HD2      PHE  94   9.691  13.994 -13.858
  646    HD2  PHE  94           HD1      PHE  94  10.124  14.945  -9.667
  647    HE1  PHE  94           HE2      PHE  94  11.994  14.798 -14.270
  648    HE2  PHE  94           HE1      PHE  94  12.437  15.737 -10.092
  649    HZ   PHE  94           HZ       PHE  94  13.367  15.680 -12.391
  650    H    ASN  95           H        ASN  95   5.809  13.636 -13.257
  651    HA   ASN  95           HA       ASN  95   6.762  14.155 -15.871
  652   1HB   ASN  95          2HB       ASN  95   4.280  12.902 -14.725
  653   2HB   ASN  95          3HB       ASN  95   4.303  13.337 -16.443
  654   1HD2  ASN  95          1HD2      ASN  95   6.491  10.151 -15.120
  655   2HD2  ASN  95          2HD2      ASN  95   5.693  11.233 -13.975
  656    H    ARG  96           H        ARG  96   3.697  15.252 -14.372
  657    HA   ARG  96           HA       ARG  96   2.851  17.081 -16.269
  658   1HB   ARG  96          2HB       ARG  96   2.546  16.947 -13.263
  659   2HB   ARG  96          3HB       ARG  96   1.779  18.234 -14.207
  660   1HG   ARG  96          2HG       ARG  96   0.497  16.644 -15.481
  661   2HG   ARG  96          3HG       ARG  96   1.324  15.265 -14.736
  662   1HD   ARG  96          2HD       ARG  96  -0.283  17.313 -13.136
  663   2HD   ARG  96          3HD       ARG  96  -0.980  15.836 -13.806
  664    HE   ARG  96           HE       ARG  96   1.415  15.367 -12.238
  665   1HH1  ARG  96          2HH1      ARG  96  -2.114  15.613 -12.097
  666   2HH1  ARG  96          1HH1      ARG  96  -2.276  14.848 -10.541
  667   1HH2  ARG  96          2HH2      ARG  96   1.254  14.492 -10.141
  668   2HH2  ARG  96          1HH2      ARG  96  -0.289  14.044  -9.488
  669    H    PHE  97           H        PHE  97   4.903  17.850 -13.427
  670    HA   PHE  97           HA       PHE  97   5.078  20.648 -14.254
  671   1HB   PHE  97          2HB       PHE  97   6.107  19.135 -11.842
  672   2HB   PHE  97          3HB       PHE  97   6.432  20.833 -12.142
  673    HD1  PHE  97           HD1      PHE  97   3.429  18.542 -12.039
  674    HD2  PHE  97           HD2      PHE  97   5.080  22.401 -11.059
  675    HE1  PHE  97           HE1      PHE  97   1.256  19.243 -11.176
  676    HE2  PHE  97           HE2      PHE  97   2.964  22.993  -9.918
  677    HZ   PHE  97           HZ       PHE  97   1.042  21.399  -9.945
  678    H    HIS  98           H        HIS  98   7.278  17.859 -14.513
  679    HA   HIS  98           HA       HIS  98   9.426  19.790 -15.353
  680   1HB   HIS  98          2HB       HIS  98   9.862  17.188 -13.888
  681   2HB   HIS  98          3HB       HIS  98  11.056  18.411 -14.321
  682    HD1  HIS  98           HD1      HIS  98   9.508  21.002 -13.305
  683    HD2  HIS  98           HD2      HIS  98   9.549  17.312 -11.311
  684    HE1  HIS  98           HE1      HIS  98   8.823  21.470 -10.895
  685    H    ASN  99           H        ASN  99   8.076  16.482 -15.954
  686    HA   ASN  99           HA       ASN  99   9.971  16.155 -18.153
  687   1HB   ASN  99          2HB       ASN  99   8.790  14.296 -16.848
  688   2HB   ASN  99          3HB       ASN  99   7.406  14.590 -17.933
  689   1HD2  ASN  99          1HD2      ASN  99   9.701  13.592 -20.799
  690   2HD2  ASN  99          2HD2      ASN  99   8.961  15.133 -20.408
  691    H    ILE 100           H        ILE 100   6.548  17.163 -17.896
  692    HA   ILE 100           HA       ILE 100   6.708  18.223 -20.704
  693    HB   ILE 100           HB       ILE 100   4.314  17.876 -20.907
  694   1HG1  ILE 100          2HG1      ILE 100   4.370  16.073 -18.466
  695   2HG1  ILE 100          3HG1      ILE 100   3.915  17.781 -18.333
  696   1HG2  ILE 100          1HG2      ILE 100   5.956  16.223 -21.766
  697   2HG2  ILE 100          2HG2      ILE 100   5.797  15.290 -20.265
  698   3HG2  ILE 100          3HG2      ILE 100   4.409  15.478 -21.352
  699   1HD1  ILE 100          1HD1      ILE 100   2.111  17.431 -19.994
  700   2HD1  ILE 100          2HD1      ILE 100   2.525  15.702 -20.072
  701   3HD1  ILE 100          3HD1      ILE 100   1.927  16.403 -18.560
  702    H    LYS 101           H        LYS 101   7.606  19.478 -18.290
  703    HA   LYS 101           HA       LYS 101   7.408  21.357 -17.076
  704   1HB   LYS 101          2HB       LYS 101   8.030  22.143 -19.324
  705   2HB   LYS 101          3HB       LYS 101   6.327  22.357 -19.739
  706   1HG   LYS 101          2HG       LYS 101   7.408  24.470 -19.223
  707   2HG   LYS 101          3HG       LYS 101   6.101  24.150 -18.080
  708   1HD   LYS 101          2HD       LYS 101   7.711  23.440 -16.357
  709   2HD   LYS 101          3HD       LYS 101   9.059  23.612 -17.495
  710   1HE   LYS 101          2HE       LYS 101   7.220  25.861 -16.532
  711   2HE   LYS 101          3HE       LYS 101   8.833  25.512 -15.891
  712   1HZ   LYS 101          3HZ       LYS 101   9.730  25.940 -18.067
  713   2HZ   LYS 101          1HZ       LYS 101   8.234  26.315 -18.649
  714   3HZ   LYS 101          2HZ       LYS 101   8.921  27.251 -17.482
  715   1H5*    T   1          1H5*        T   1  -5.475  22.853 -17.076
  716   2H5*    T   1          2H5*        T   1  -4.046  21.849 -17.423
  717    H4*    T   1           H4*        T   1  -4.371  22.598 -14.965
  718    H3*    T   1           H3*        T   1  -3.812  19.828 -15.909
  719   1H2*    T   1          1H2*        T   1  -5.143  18.888 -14.343
  720   2H2*    T   1          2H2*        T   1  -4.090  19.549 -13.066
  721    H1*    T   1           H1*        T   1  -5.348  21.547 -12.878
  722    H3     T   1           H3         T   1  -8.712  19.925 -10.232
  723   1H5M    T   1          1H5M        T   1 -10.614  17.555 -13.762
  724   2H5M    T   1          2H5M        T   1 -10.478  18.883 -14.931
  725   3H5M    T   1          3H5M        T   1  -9.324  17.528 -14.974
  726    H6     T   1           H6         T   1  -7.574  19.321 -14.862
  727    H5T    T   1           H5T        T   1  -6.559  20.802 -16.688
  728   1H5*    T   2          1H5*        T   2  -2.167  21.555 -12.052
  729   2H5*    T   2          2H5*        T   2  -0.510  21.051 -11.692
  730    H4*    T   2           H4*        T   2  -1.934  21.019  -9.659
  731    H3*    T   2           H3*        T   2  -0.800  18.449 -10.699
  732   1H2*    T   2          1H2*        T   2  -2.508  17.219  -9.941
  733   2H2*    T   2          2H2*        T   2  -2.259  17.826  -8.272
  734    H1*    T   2           H1*        T   2  -3.763  19.525  -8.504
  735    H3     T   2           H3         T   2  -7.825  17.431  -8.624
  736   1H5M    T   2          1H5M        T   2  -5.377  16.623 -13.426
  737   2H5M    T   2          2H5M        T   2  -6.249  15.273 -12.671
  738   3H5M    T   2          3H5M        T   2  -7.147  16.670 -13.288
  739    H6     T   2           H6         T   2  -4.145  17.651 -11.697
  740   1H5*    G   3          1H5*        G   3  -0.646  19.199  -5.989
  741   2H5*    G   3          2H5*        G   3   0.816  18.424  -5.345
  742    H4*    G   3           H4*        G   3  -1.240  18.020  -4.006
  743    H3*    G   3           H3*        G   3   0.677  16.165  -4.355
  744   1H2*    G   3          1H2*        G   3  -0.360  15.213  -6.385
  745   2H2*    G   3          2H2*        G   3  -0.930  14.073  -5.135
  746    H1*    G   3           H1*        G   3  -2.918  15.371  -4.727
  747    H8     G   3           H8         G   3  -1.555  14.953  -8.325
  748    H1     G   3           H1         G   3  -7.909  14.341  -7.643
  749   1H2     G   3           H21        G   3  -8.387  14.592  -5.378
  750   2H2     G   3           H22        G   3  -7.122  15.095  -4.283
  751   1H5*    G   4          1H5*        G   4  -2.510  15.975  -1.031
  752   2H5*    G   4          2H5*        G   4  -1.824  15.217   0.418
  753    H4*    G   4           H4*        G   4  -4.264  15.008   0.395
  754    H3*    G   4           H3*        G   4  -2.570  12.862   0.834
  755   1H2*    G   4          1H2*        G   4  -2.726  11.969  -1.360
  756   2H2*    G   4          2H2*        G   4  -4.079  11.074  -0.629
  757    H1*    G   4           H1*        G   4  -5.681  12.657  -1.408
  758    H8     G   4           H8         G   4  -2.418  13.024  -3.551
  759    H1     G   4           H1         G   4  -7.561  11.033  -6.829
  760   1H2     G   4           H21        G   4  -9.203  10.464  -5.323
  761   2H2     G   4           H22        G   4  -9.041  10.928  -3.640
  762   1H5*    A   5          1H5*        A   5  -7.023  11.447   0.832
  763   2H5*    A   5          2H5*        A   5  -7.291  10.216   2.085
  764    H4*    A   5           H4*        A   5  -8.253   9.520  -0.056
  765    H3*    A   5           H3*        A   5  -6.257   7.894   1.333
  766   1H2*    A   5          1H2*        A   5  -4.847   7.922  -0.499
  767   2H2*    A   5          2H2*        A   5  -5.895   6.605  -1.086
  768    H1*    A   5           H1*        A   5  -7.360   8.220  -2.210
  769    H8     A   5           H8         A   5  -3.599   9.298  -2.032
  770   1H6     A   5           H61        A   5  -3.845   9.087  -8.209
  771   2H6     A   5           H62        A   5  -2.787   9.351  -6.837
  772    H2     A   5           H2         A   5  -7.780   7.769  -6.649
  773   1H5*    T   6          1H5*        T   6  -9.665   6.150  -1.544
  774   2H5*    T   6          2H5*        T   6 -10.180   4.595  -0.856
  775    H4*    T   6           H4*        T   6 -10.279   4.542  -3.313
  776    H3*    T   6           H3*        T   6  -8.855   2.636  -1.718
  777   1H2*    T   6          1H2*        T   6  -6.796   3.227  -2.521
  778   2H2*    T   6          2H2*        T   6  -7.185   2.087  -3.819
  779    H1*    T   6           H1*        T   6  -8.239   3.843  -5.154
  780    H3     T   6           H3         T   6  -4.647   5.435  -7.440
  781   1H5M    T   6          1H5M        T   6  -2.554   5.083  -2.813
  782   2H5M    T   6          2H5M        T   6  -2.496   6.721  -3.491
  783   3H5M    T   6          3H5M        T   6  -3.662   6.326  -2.218
  784    H6     T   6           H6         T   6  -5.651   5.009  -2.762
  785   1H5*    G   7          1H5*        G   7 -11.461   1.250  -5.662
  786   2H5*    G   7          2H5*        G   7 -11.883  -0.437  -5.298
  787    H4*    G   7           H4*        G   7 -11.776  -0.084  -7.717
  788    H3*    G   7           H3*        G   7 -10.444  -2.193  -6.459
  789   1H2*    G   7          1H2*        G   7  -8.346  -1.206  -6.425
  790   2H2*    G   7          2H2*        G   7  -8.222  -2.038  -7.975
  791    H1*    G   7           H1*        G   7  -8.802  -0.080  -9.223
  792    H8     G   7           H8         G   7  -7.680   0.890  -5.624
  793    H1     G   7           H1         G   7  -3.574   2.754 -10.170
  794   1H2     G   7           H21        G   7  -4.376   2.172 -12.225
  795   2H2     G   7           H22        G   7  -5.891   1.296 -12.364
  796   1H5*    G   8          1H5*        G   8  -9.589  -1.785 -11.118
  797   2H5*    G   8          2H5*        G   8 -10.029  -3.381 -11.744
  798    H4*    G   8           H4*        G   8  -8.210  -2.653 -13.074
  799    H3*    G   8           H3*        G   8  -7.983  -5.016 -11.498
  800   1H2*    G   8          1H2*        G   8  -6.437  -4.047 -10.031
  801   2H2*    G   8          2H2*        G   8  -5.279  -4.670 -11.216
  802    H1*    G   8           H1*        G   8  -5.257  -2.540 -12.425
  803    H8     G   8           H8         G   8  -6.240  -2.155  -8.699
  804    H1     G   8           H1         G   8  -0.568   0.496 -10.039
  805   1H2     G   8           H21        G   8  -0.001  -0.007 -12.214
  806   2H2     G   8           H22        G   8  -1.123  -0.871 -13.256
  807   1H5*    G   9          1H5*        G   9  -4.613  -4.096 -14.674
  808   2H5*    G   9          2H5*        G   9  -4.293  -5.620 -15.527
  809    H4*    G   9           H4*        G   9  -2.217  -4.450 -15.283
  810    H3*    G   9           H3*        G   9  -2.541  -7.101 -14.318
  811   1H2*    G   9          1H2*        G   9  -2.616  -6.267 -12.038
  812   2H2*    G   9          2H2*        G   9  -0.905  -6.706 -12.191
  813    H1*    G   9           H1*        G   9  -0.391  -4.432 -13.048
  814    H8     G   9           H8         G   9  -3.111  -4.650 -10.235
  815    H1     G   9           H1         G   9   2.230  -1.509  -8.619
  816   1H2     G   9           H21        G   9   3.759  -1.696 -10.371
  817   2H2     G   9           H22        G   9   3.278  -2.460 -11.883
  818   1H5*    A  10          1H5*        A  10   1.572  -4.865 -15.187
  819   2H5*    A  10          2H5*        A  10   2.392  -6.074 -16.192
  820    H4*    A  10           H4*        A  10   3.988  -4.483 -15.281
  821    H3*    A  10           H3*        A  10   4.287  -7.270 -15.147
  822   1H2*    A  10          1H2*        A  10   3.795  -7.452 -12.865
  823   2H2*    A  10          2H2*        A  10   5.543  -7.173 -12.701
  824    H1*    A  10           H1*        A  10   5.240  -4.824 -12.331
  825    H8     A  10           H8         A  10   1.890  -6.643 -11.650
  826   1H6     A  10           H61        A  10   2.274  -4.394  -5.902
  827   2H6     A  10           H62        A  10   1.330  -5.325  -7.058
  828    H2     A  10           H2         A  10   6.023  -3.286  -8.116
  829   1H5*    G  11          1H5*        G  11   7.702  -4.723 -13.466
  830   2H5*    G  11          2H5*        G  11   9.316  -5.342 -13.874
  831    H4*    G  11           H4*        G  11   9.165  -4.625 -11.522
  832    H3*    G  11           H3*        G  11  10.097  -7.238 -12.334
  833   1H2*    G  11          1H2*        G  11   8.301  -8.303 -11.179
  834   2H2*    G  11          2H2*        G  11   9.446  -8.162  -9.810
  835    H1*    G  11           H1*        G  11   8.532  -5.939  -9.265
  836    H8     G  11           H8         G  11   5.772  -8.368 -10.672
  837    H1     G  11           H1         G  11   5.049  -6.476  -4.569
  838   1H2     G  11           H21        G  11   6.985  -5.343  -3.961
  839   2H2     G  11           H22        G  11   8.137  -4.873  -5.192
  840   1H5*    A  12          1H5*        A  12  12.209  -4.392  -9.191
  841   2H5*    A  12          2H5*        A  12  13.939  -4.792  -9.209
  842    H4*    A  12           H4*        A  12  13.219  -3.779  -7.073
  843    H3*    A  12           H3*        A  12  14.846  -6.011  -7.224
  844   1H2*    A  12          1H2*        A  12  13.106  -7.593  -6.906
  845   2H2*    A  12          2H2*        A  12  13.608  -7.401  -5.218
  846    H1*    A  12           H1*        A  12  11.909  -5.773  -4.778
  847    H8     A  12           H8         A  12  10.915  -7.880  -7.927
  848   1H6     A  12           H61        A  12   6.149  -9.865  -4.647
  849   2H6     A  12           H62        A  12   7.104  -9.984  -6.122
  850    H2     A  12           H2         A  12   8.515  -7.075  -2.026
  851   1H5*    C  13          1H5*        C  13  13.538  -5.070  -2.896
  852   2H5*    C  13          2H5*        C  13  14.835  -5.301  -1.705
  853    H4*    C  13           H4*        C  13  12.690  -6.339  -1.020
  854    H3*    C  13           H3*        C  13  15.145  -8.012  -1.388
  855   1H2*    C  13          1H2*        C  13  13.915  -9.805  -2.041
  856   2H2*    C  13          2H2*        C  13  13.101  -9.797  -0.452
  857    H1*    C  13           H1*        C  13  11.378  -8.356  -1.186
  858   1H4     C  13           H41        C  13   9.575 -12.062  -6.419
  859   2H4     C  13           H42        C  13   8.378 -12.283  -5.159
  860    H5     C  13           H5         C  13  11.684 -10.816  -6.022
  861    H6     C  13           H6         C  13  12.866  -9.444  -4.419
  862   1H5*    C  14          1H5*        C  14  12.305  -8.761   2.176
  863   2H5*    C  14          2H5*        C  14  13.143  -9.391   3.611
  864    H4*    C  14           H4*        C  14  11.091 -10.690   3.009
  865    H3*    C  14           H3*        C  14  13.772 -11.989   3.121
  866   1H2*    C  14          1H2*        C  14  13.265 -13.409   1.447
  867   2H2*    C  14          2H2*        C  14  11.932 -14.082   2.419
  868    H1*    C  14           H1*        C  14  10.326 -12.610   1.540
  869   1H4     C  14           H41        C  14  12.194 -13.760  -4.797
  870   2H4     C  14           H42        C  14  10.626 -14.509  -4.568
  871    H5     C  14           H5         C  14  13.393 -12.637  -2.963
  872    H6     C  14           H6         C  14  13.247 -12.027  -0.598
  873   1H5*    G  15          1H5*        G  15  10.116 -14.372   4.548
  874   2H5*    G  15          2H5*        G  15  10.511 -15.458   5.898
  875    H4*    G  15           H4*        G  15   9.245 -16.637   4.160
  876    H3*    G  15           H3*        G  15  11.982 -17.540   4.880
  877   1H2*    G  15          1H2*        G  15  12.568 -17.794   2.677
  878   2H2*    G  15          2H2*        G  15  11.492 -19.223   2.696
  879    H1*    G  15           H1*        G  15   9.604 -17.896   1.967
  880    H8     G  15           H8         G  15  12.996 -16.309   0.813
  881    H1     G  15           H1         G  15   9.071 -18.105  -3.950
  882   1H2     G  15           H21        G  15   7.180 -19.067  -3.015
  883   2H2     G  15           H22        G  15   7.017 -19.173  -1.274
  884    H3T    G  15           H3T        G  15  10.072 -18.457   5.714
  885   1H5*    C  16          1H5*        C  16   5.738 -23.955  -9.281
  886   2H5*    C  16          2H5*        C  16   4.169 -23.392  -9.906
  887    H4*    C  16           H4*        C  16   4.672 -22.811  -7.443
  888    H3*    C  16           H3*        C  16   3.871 -20.858  -9.553
  889   1H2*    C  16          1H2*        C  16   5.002 -19.179  -8.617
  890   2H2*    C  16          2H2*        C  16   4.092 -19.336  -7.095
  891    H1*    C  16           H1*        C  16   5.612 -20.883  -6.181
  892   1H4     C  16           H41        C  16  10.805 -16.827  -7.482
  893   2H4     C  16           H42        C  16  10.576 -16.868  -5.743
  894    H5     C  16           H5         C  16   9.295 -18.011  -9.024
  895    H6     C  16           H6         C  16   7.390 -19.485  -9.152
  896    H5T    C  16           H5T        C  16   6.563 -21.902 -10.048
  897   1H5*    G  17          1H5*        G  17   2.464 -20.877  -5.340
  898   2H5*    G  17          2H5*        G  17   0.746 -20.504  -5.133
  899    H4*    G  17           H4*        G  17   2.032 -19.482  -3.344
  900    H3*    G  17           H3*        G  17   0.349 -17.892  -5.043
  901   1H2*    G  17          1H2*        G  17   2.229 -16.809  -5.999
  902   2H2*    G  17          2H2*        G  17   1.944 -15.704  -4.627
  903    H1*    G  17           H1*        G  17   3.423 -17.065  -3.190
  904    H8     G  17           H8         G  17   4.405 -16.807  -6.943
  905    H1     G  17           H1         G  17   8.855 -14.788  -2.765
  906   1H2     G  17           H21        G  17   8.028 -15.146  -0.618
  907   2H2     G  17           H22        G  17   6.439 -15.841  -0.405
  908   1H5*    G  18          1H5*        G  18   0.994 -17.361  -0.437
  909   2H5*    G  18          2H5*        G  18  -0.430 -16.585   0.276
  910    H4*    G  18           H4*        G  18   1.622 -16.221   1.606
  911    H3*    G  18           H3*        G  18  -0.198 -14.221   0.976
  912   1H2*    G  18          1H2*        G  18   1.051 -13.351  -0.824
  913   2H2*    G  18          2H2*        G  18   1.688 -12.318   0.481
  914    H1*    G  18           H1*        G  18   3.592 -13.736   0.810
  915    H8     G  18           H8         G  18   2.163 -14.374  -2.774
  916    H1     G  18           H1         G  18   7.985 -11.664  -2.673
  917   1H2     G  18           H21        G  18   8.493 -11.129  -0.474
  918   2H2     G  18           H22        G  18   7.481 -11.735   0.824
  919   1H5*    T  19          1H5*        T  19   3.597 -12.904   3.614
  920   2H5*    T  19          2H5*        T  19   2.947 -11.904   4.930
  921    H4*    T  19           H4*        T  19   5.147 -11.093   4.221
  922    H3*    T  19           H3*        T  19   2.811  -9.438   4.363
  923   1H2*    T  19          1H2*        T  19   2.792  -9.020   2.080
  924   2H2*    T  19          2H2*        T  19   3.947  -7.749   2.508
  925    H1*    T  19           H1*        T  19   5.849  -9.244   2.160
  926    H3     T  19           H3         T  19   6.428  -8.850  -2.388
  927   1H5M    T  19          1H5M        T  19   1.657 -11.265  -1.592
  928   2H5M    T  19          2H5M        T  19   1.532  -9.666  -2.338
  929   3H5M    T  19          3H5M        T  19   2.345 -10.998  -3.202
  930    H6     T  19           H6         T  19   2.824 -10.399   0.374
  931   1H5*    C  20          1H5*        C  20   6.805  -7.287   3.863
  932   2H5*    C  20          2H5*        C  20   6.918  -5.691   4.631
  933    H4*    C  20           H4*        C  20   7.657  -5.766   2.244
  934    H3*    C  20           H3*        C  20   5.554  -3.874   3.181
  935   1H2*    C  20          1H2*        C  20   4.347  -4.176   1.267
  936   2H2*    C  20          2H2*        C  20   5.659  -3.352   0.391
  937    H1*    C  20           H1*        C  20   6.816  -5.426  -0.003
  938   1H4     C  20           H41        C  20   1.368  -7.543  -3.321
  939   2H4     C  20           H42        C  20   2.656  -7.243  -4.474
  940    H5     C  20           H5         C  20   1.720  -7.193  -0.873
  941    H6     C  20           H6         C  20   3.302  -6.431   0.778
  942   1H5*    T  21          1H5*        T  21   9.252  -3.128   0.397
  943   2H5*    T  21          2H5*        T  21   9.858  -1.470   0.564
  944    H4*    T  21           H4*        T  21  10.175  -2.470  -1.709
  945    H3*    T  21           H3*        T  21   9.213   0.160  -1.180
  946   1H2*    T  21          1H2*        T  21   7.054  -0.285  -1.924
  947   2H2*    T  21          2H2*        T  21   7.757   0.134  -3.508
  948    H1*    T  21           H1*        T  21   8.331  -2.175  -3.960
  949    H3     T  21           H3         T  21   4.385  -3.524  -5.757
  950   1H5M    T  21          1H5M        T  21   2.107  -2.440  -1.763
  951   2H5M    T  21          2H5M        T  21   2.962  -3.771  -0.972
  952   3H5M    T  21          3H5M        T  21   3.402  -2.089  -0.613
  953    H6     T  21           H6         T  21   5.650  -2.016  -1.384
  954   1H5*    C  22          1H5*        C  22  10.305  -0.758  -5.852
  955   2H5*    C  22          2H5*        C  22  10.998   0.735  -6.524
  956    H4*    C  22           H4*        C  22   9.316  -0.262  -8.050
  957    H3*    C  22           H3*        C  22   8.824   2.425  -6.845
  958   1H2*    C  22          1H2*        C  22   6.599   2.186  -6.914
  959   2H2*    C  22          2H2*        C  22   6.639   1.920  -8.677
  960    H1*    C  22           H1*        C  22   6.896  -0.410  -8.477
  961   1H4     C  22           H41        C  22   1.549  -0.657  -4.409
  962   2H4     C  22           H42        C  22   1.040  -1.240  -5.977
  963    H5     C  22           H5         C  22   3.828   0.199  -4.000
  964    H6     C  22           H6         C  22   5.991   0.573  -5.010
  965   1H5*    C  23          1H5*        C  23   8.051   1.894 -11.462
  966   2H5*    C  23          2H5*        C  23   8.021   3.466 -12.293
  967    H4*    C  23           H4*        C  23   6.108   2.012 -12.879
  968    H3*    C  23           H3*        C  23   5.494   4.580 -11.416
  969   1H2*    C  23          1H2*        C  23   3.339   3.963 -11.177
  970   2H2*    C  23          2H2*        C  23   3.241   3.179 -12.777
  971    H1*    C  23           H1*        C  23   3.850   1.140 -12.071
  972   1H4     C  23           H41        C  23   0.724   1.888  -6.156
  973   2H4     C  23           H42        C  23  -0.395   1.142  -7.270
  974    H5     C  23           H5         C  23   2.934   2.699  -6.933
  975    H6     C  23           H6         C  23   4.423   2.800  -8.833
  976   1H5*    C  24          1H5*        C  24   3.441   3.210 -15.244
  977   2H5*    C  24          2H5*        C  24   3.320   4.576 -16.368
  978    H4*    C  24           H4*        C  24   1.367   3.150 -16.574
  979    H3*    C  24           H3*        C  24   1.245   5.967 -16.002
  980   1H2*    C  24          1H2*        C  24   0.141   5.768 -14.027
  981   2H2*    C  24          2H2*        C  24  -1.312   5.545 -15.029
  982    H1*    C  24           H1*        C  24  -1.199   3.164 -14.865
  983   1H4     C  24           H41        C  24  -0.325   3.905  -8.220
  984   2H4     C  24           H42        C  24  -2.032   3.642  -8.430
  985    H5     C  24           H5         C  24   1.189   4.086 -10.079
  986    H6     C  24           H6         C  24   1.360   4.231 -12.464
  987   1H5*    A  25          1H5*        A  25  -2.539   3.901 -17.226
  988   2H5*    A  25          2H5*        A  25  -3.484   4.747 -18.472
  989    H4*    A  25           H4*        A  25  -4.896   3.904 -16.601
  990    H3*    A  25           H3*        A  25  -4.815   6.710 -17.470
  991   1H2*    A  25          1H2*        A  25  -4.514   7.533 -15.366
  992   2H2*    A  25          2H2*        A  25  -6.218   7.114 -15.073
  993    H1*    A  25           H1*        A  25  -5.637   4.993 -14.124
  994    H8     A  25           H8         A  25  -2.443   7.257 -14.018
  995   1H6     A  25           H61        A  25  -1.776   7.213  -9.262
  996   2H6     A  25           H62        A  25  -2.654   6.560  -7.884
  997    H2     A  25           H2         A  25  -6.310   4.643  -9.619
  998   1H5*    T  26          1H5*        T  26  -8.389   4.628 -15.591
  999   2H5*    T  26          2H5*        T  26  -9.996   5.218 -16.067
 1000    H4*    T  26           H4*        T  26  -9.735   4.827 -13.600
 1001    H3*    T  26           H3*        T  26 -10.397   7.552 -14.690
 1002   1H2*    T  26          1H2*        T  26  -9.581   8.586 -12.870
 1003   2H2*    T  26          2H2*        T  26 -10.557   7.567 -11.777
 1004    H1*    T  26           H1*        T  26  -8.951   5.944 -11.520
 1005    H3     T  26           H3         T  26  -6.233   8.277  -8.696
 1006   1H5M    T  26          1H5M        T  26  -4.683  10.928 -12.215
 1007   2H5M    T  26          2H5M        T  26  -4.010   9.493 -13.005
 1008   3H5M    T  26          3H5M        T  26  -5.469  10.269 -13.660
 1009    H6     T  26           H6         T  26  -7.007   8.448 -13.422
 1010   1H5*    C  27          1H5*        C  27 -12.456   5.584 -11.176
 1011   2H5*    C  27          2H5*        C  27 -14.198   5.920 -11.083
 1012    H4*    C  27           H4*        C  27 -13.104   5.974  -8.861
 1013    H3*    C  27           H3*        C  27 -14.799   8.032  -9.900
 1014   1H2*    C  27          1H2*        C  27 -13.114   9.627  -9.988
 1015   2H2*    C  27          2H2*        C  27 -13.529   9.867  -8.279
 1016    H1*    C  27           H1*        C  27 -11.866   8.263  -7.554
 1017   1H4     C  27           H41        C  27  -7.079  11.899 -10.603
 1018   2H4     C  27           H42        C  27  -6.569  11.615  -8.963
 1019    H5     C  27           H5         C  27  -9.109  10.831 -11.536
 1020    H6     C  27           H6         C  27 -11.103   9.607 -10.968
 1021   1H5*    C  28          1H5*        C  28 -13.856   8.476  -5.372
 1022   2H5*    C  28          2H5*        C  28 -15.223   9.172  -4.473
 1023    H4*    C  28           H4*        C  28 -13.117  10.380  -4.028
 1024    H3*    C  28           H3*        C  28 -15.257  11.885  -5.554
 1025   1H2*    C  28          1H2*        C  28 -13.783  13.482  -6.132
 1026   2H2*    C  28          2H2*        C  28 -13.063  13.563  -4.495
 1027    H1*    C  28           H1*        C  28 -11.492  11.974  -4.878
 1028   1H4     C  28           H41        C  28  -9.741  13.804 -11.057
 1029   2H4     C  28           H42        C  28  -8.447  14.277  -9.982
 1030    H5     C  28           H5         C  28 -11.879  12.865 -10.237
 1031    H6     C  28           H6         C  28 -13.054  12.121  -8.241
 1032   1H5*    A  29          1H5*        A  29 -13.306  13.248  -1.680
 1033   2H5*    A  29          2H5*        A  29 -14.369  14.214  -0.639
 1034    H4*    A  29           H4*        A  29 -11.990  14.985  -0.724
 1035    H3*    A  29           H3*        A  29 -14.245  16.661  -0.762
 1036   1H2*    A  29          1H2*        A  29 -14.108  17.101  -3.063
 1037   2H2*    A  29          2H2*        A  29 -13.092  18.444  -2.492
 1038    H1*    A  29           H1*        A  29 -11.069  17.158  -2.775
 1039    H8     A  29           H8         A  29 -14.035  16.263  -5.156
 1040   1H6     A  29           H61        A  29  -9.929  16.704  -9.747
 1041   2H6     A  29           H62        A  29 -11.603  16.404  -9.290
 1042    H2     A  29           H2         A  29  -7.821  17.667  -5.912
 1043   1H5*    A  30          1H5*        A  30  -9.818  18.296  -0.324
 1044   2H5*    A  30          2H5*        A  30  -9.779  19.697   0.767
 1045    H4*    A  30           H4*        A  30  -8.128  19.883  -1.066
 1046    H3*    A  30           H3*        A  30 -10.039  21.949  -0.408
 1047   1H2*    A  30          1H2*        A  30 -11.093  21.830  -2.500
 1048   2H2*    A  30          2H2*        A  30  -9.745  22.907  -2.980
 1049    H1*    A  30           H1*        A  30  -8.391  20.992  -3.656
 1050    H8     A  30           H8         A  30 -12.204  20.124  -3.907
 1051   1H6     A  30           H61        A  30 -11.206  19.480  -9.937
 1052   2H6     A  30           H62        A  30 -12.379  19.483  -8.622
 1053    H2     A  30           H2         A  30  -7.355  20.810  -8.060
 1054    H3T    A  30           H3T        A  30  -8.297  23.239  -1.061
   
  No H/Q in entry =        1054
  Start of MODEL    4
    1    H    MET   1           H        MET   1   4.593 -16.955  -8.278
    2    HA   MET   1           HA       MET   1   4.032 -15.230  -9.881
    3   1HB   MET   1          2HB       MET   1   6.312 -16.869 -11.077
    4   2HB   MET   1          3HB       MET   1   5.925 -15.186 -11.471
    5   1HG   MET   1          2HG       MET   1   6.336 -14.533  -9.111
    6   2HG   MET   1          3HG       MET   1   6.707 -16.212  -8.707
    7   1HE   MET   1          3HE       MET   1   7.884 -12.968 -10.525
    8   2HE   MET   1          1HE       MET   1   9.437 -13.475 -11.225
    9   3HE   MET   1          2HE       MET   1   7.920 -14.106 -11.897
   10    H    LYS  11           H        LYS  11   3.294 -18.394 -10.718
   11    HA   LYS  11           HA       LYS  11   2.600 -18.204 -13.486
   12   1HB   LYS  11          2HB       LYS  11   2.687 -20.346 -12.217
   13   2HB   LYS  11          3HB       LYS  11   1.362 -19.782 -11.194
   14   1HG   LYS  11          2HG       LYS  11  -0.018 -19.599 -13.436
   15   2HG   LYS  11          3HG       LYS  11   1.314 -20.511 -14.144
   16   1HD   LYS  11          2HD       LYS  11  -0.324 -22.128 -13.560
   17   2HD   LYS  11          3HD       LYS  11   0.919 -22.263 -12.313
   18   1HE   LYS  11          2HE       LYS  11  -1.280 -22.349 -11.275
   19   2HE   LYS  11          3HE       LYS  11  -0.529 -20.829 -10.794
   20   1HZ   LYS  11          1HZ       LYS  11  -2.515 -21.166 -12.930
   21   2HZ   LYS  11          2HZ       LYS  11  -2.790 -20.540 -11.432
   22   3HZ   LYS  11          3HZ       LYS  11  -1.835 -19.730 -12.500
   23    H    ARG  12           H        ARG  12   0.914 -17.043 -14.417
   24    HA   ARG  12           HA       ARG  12  -0.642 -15.250 -12.851
   25   1HB   ARG  12          2HB       ARG  12  -0.766 -16.200 -15.717
   26   2HB   ARG  12          3HB       ARG  12  -2.106 -15.272 -15.047
   27   1HG   ARG  12          2HG       ARG  12  -0.482 -13.841 -16.240
   28   2HG   ARG  12          3HG       ARG  12  -0.759 -13.375 -14.562
   29   1HD   ARG  12          2HD       ARG  12   1.309 -14.561 -13.902
   30   2HD   ARG  12          3HD       ARG  12   1.614 -14.937 -15.613
   31    HE   ARG  12           HE       ARG  12   1.435 -12.286 -15.764
   32   1HH1  ARG  12          2HH1      ARG  12   3.189 -14.209 -13.270
   33   2HH1  ARG  12          1HH1      ARG  12   4.335 -12.942 -12.994
   34   1HH2  ARG  12          1HH2      ARG  12   3.039 -10.683 -15.362
   35   2HH2  ARG  12          2HH2      ARG  12   4.259 -10.971 -14.165
   36    H    TYR  13           H        TYR  13  -2.557 -15.491 -11.888
   37    HA   TYR  13           HA       TYR  13  -3.828 -18.145 -11.619
   38   1HB   TYR  13          2HB       TYR  13  -4.282 -15.473 -10.215
   39   2HB   TYR  13          3HB       TYR  13  -5.066 -17.005  -9.816
   40    HD1  TYR  13           HD1      TYR  13  -1.613 -15.450 -10.041
   41    HD2  TYR  13           HD2      TYR  13  -4.202 -18.313  -8.095
   42    HE1  TYR  13           HE1      TYR  13   0.254 -16.203  -8.634
   43    HE2  TYR  13           HE2      TYR  13  -2.372 -18.906  -6.559
   44    HH   TYR  13           HH       TYR  13  -0.013 -18.869  -6.332
   45    H    ILE  14           H        ILE  14  -5.712 -18.571 -12.775
   46    HA   ILE  14           HA       ILE  14  -6.762 -16.507 -14.563
   47    HB   ILE  14           HB       ILE  14  -7.457 -19.456 -14.315
   48   1HG1  ILE  14          2HG1      ILE  14  -6.326 -19.665 -16.515
   49   2HG1  ILE  14          3HG1      ILE  14  -5.759 -17.999 -16.405
   50   1HG2  ILE  14          1HG2      ILE  14  -8.214 -17.343 -16.379
   51   2HG2  ILE  14          2HG2      ILE  14  -8.509 -19.083 -16.569
   52   3HG2  ILE  14          3HG2      ILE  14  -9.334 -18.205 -15.293
   53   1HD1  ILE  14          3HD1      ILE  14  -5.030 -20.152 -14.373
   54   2HD1  ILE  14          1HD1      ILE  14  -4.102 -19.849 -15.856
   55   3HD1  ILE  14          2HD1      ILE  14  -4.241 -18.574 -14.652
   56    H    CYS  15           H        CYS  15  -8.815 -15.676 -14.530
   57    HA   CYS  15           HA       CYS  15 -10.186 -15.339 -12.057
   58   1HB   CYS  15          2HB       CYS  15 -10.165 -13.696 -13.802
   59   2HB   CYS  15          3HB       CYS  15 -10.961 -14.799 -14.934
   60    H    SER  16           H        SER  16 -11.602 -16.561 -11.009
   61    HA   SER  16           HA       SER  16 -12.316 -19.109 -11.516
   62   1HB   SER  16          2HB       SER  16 -14.147 -17.109 -10.131
   63   2HB   SER  16          3HB       SER  16 -13.835 -18.800  -9.699
   64    HG   SER  16           HG       SER  16 -11.680 -18.158  -9.181
   65    H    PHE  17           H        PHE  17 -14.125 -16.200 -12.522
   66    HA   PHE  17           HA       PHE  17 -16.326 -17.671 -13.732
   67   1HB   PHE  17          2HB       PHE  17 -15.470 -14.780 -14.081
   68   2HB   PHE  17          3HB       PHE  17 -17.018 -15.475 -14.530
   69    HD1  PHE  17           HD2      PHE  17 -18.534 -16.421 -12.680
   70    HD2  PHE  17           HD1      PHE  17 -15.087 -13.959 -11.854
   71    HE1  PHE  17           HE2      PHE  17 -19.366 -16.017 -10.380
   72    HE2  PHE  17           HE1      PHE  17 -15.877 -13.645  -9.530
   73    HZ   PHE  17           HZ       PHE  17 -18.036 -14.641  -8.798
   74    H    ALA  18           H        ALA  18 -14.604 -19.056 -14.819
   75    HA   ALA  18           HA       ALA  18 -12.787 -18.897 -16.573
   76   1HB   ALA  18          1HB       ALA  18 -14.062 -20.942 -16.219
   77   2HB   ALA  18          2HB       ALA  18 -15.377 -20.344 -17.253
   78   3HB   ALA  18          3HB       ALA  18 -13.780 -20.688 -17.952
   79    H    ASP  19           H        ASP  19 -16.037 -18.266 -17.955
   80    HA   ASP  19           HA       ASP  19 -15.442 -17.591 -20.530
   81   1HB   ASP  19          2HB       ASP  19 -17.480 -16.201 -18.739
   82   2HB   ASP  19          3HB       ASP  19 -17.493 -16.229 -20.507
   83    H    CYS  20           H        CYS  20 -15.040 -15.484 -17.721
   84    HA   CYS  20           HA       CYS  20 -14.649 -12.979 -18.906
   85   1HB   CYS  20          2HB       CYS  20 -14.923 -13.520 -16.485
   86   2HB   CYS  20          3HB       CYS  20 -13.281 -14.180 -16.479
   87    H    GLY  21           H        GLY  21 -12.427 -15.747 -18.613
   88   1HA   GLY  21          2HA       GLY  21 -10.357 -16.169 -19.438
   89   2HA   GLY  21          3HA       GLY  21 -10.767 -15.039 -20.737
   90    H    ALA  22           H        ALA  22 -10.564 -13.974 -17.376
   91    HA   ALA  22           HA       ALA  22  -8.254 -12.236 -18.037
   92   1HB   ALA  22          2HB       ALA  22 -10.271 -11.206 -17.006
   93   2HB   ALA  22          3HB       ALA  22 -10.071 -12.265 -15.587
   94   3HB   ALA  22          1HB       ALA  22  -8.827 -11.070 -15.987
   95    H    ALA  23           H        ALA  23  -6.340 -12.292 -16.667
   96    HA   ALA  23           HA       ALA  23  -6.198 -14.266 -14.587
   97   1HB   ALA  23          2HB       ALA  23  -5.709 -15.613 -16.655
   98   2HB   ALA  23          3HB       ALA  23  -4.338 -14.523 -17.007
   99   3HB   ALA  23          1HB       ALA  23  -4.307 -15.528 -15.549
  100    H    TYR  24           H        TYR  24  -4.376 -13.788 -13.182
  101    HA   TYR  24           HA       TYR  24  -2.767 -11.395 -13.938
  102   1HB   TYR  24          2HB       TYR  24  -4.512 -11.552 -11.457
  103   2HB   TYR  24          3HB       TYR  24  -3.285 -10.338 -11.805
  104    HD1  TYR  24           HD2      TYR  24  -6.612 -11.620 -12.821
  105    HD2  TYR  24           HD1      TYR  24  -3.676  -8.537 -13.440
  106    HE1  TYR  24           HE2      TYR  24  -8.305 -10.239 -13.935
  107    HE2  TYR  24           HE1      TYR  24  -5.413  -7.085 -14.444
  108    HH   TYR  24           HH       TYR  24  -7.663  -6.851 -14.930
  109    H    ASN  25           H        ASN  25  -0.999 -11.010 -12.702
  110    HA   ASN  25           HA       ASN  25   0.734 -13.000 -12.243
  111   1HB   ASN  25          2HB       ASN  25   2.088 -11.441 -10.956
  112   2HB   ASN  25          3HB       ASN  25   1.394 -10.681 -12.392
  113   1HD2  ASN  25          1HD2      ASN  25   1.028  -8.308  -9.451
  114   2HD2  ASN  25          2HD2      ASN  25   2.412  -9.155 -10.094
  115    H    LYS  26           H        LYS  26  -1.049 -11.545  -9.459
  116    HA   LYS  26           HA       LYS  26  -0.291 -13.993  -7.891
  117   1HB   LYS  26          2HB       LYS  26  -0.471 -11.094  -7.040
  118   2HB   LYS  26          3HB       LYS  26  -0.228 -12.453  -5.929
  119   1HG   LYS  26          2HG       LYS  26   1.689 -11.565  -8.119
  120   2HG   LYS  26          3HG       LYS  26   1.879 -11.380  -6.377
  121   1HD   LYS  26          2HD       LYS  26   1.684 -14.009  -6.276
  122   2HD   LYS  26          3HD       LYS  26   2.033 -13.926  -8.018
  123   1HE   LYS  26          2HE       LYS  26   3.963 -12.343  -7.329
  124   2HE   LYS  26          3HE       LYS  26   3.688 -12.975  -5.682
  125   1HZ   LYS  26          1HZ       LYS  26   4.098 -15.171  -6.557
  126   2HZ   LYS  26          2HZ       LYS  26   4.441 -14.533  -8.037
  127   3HZ   LYS  26          3HZ       LYS  26   5.380 -14.163  -6.726
  128    H    ASN  27           H        ASN  27  -1.518 -14.527  -6.143
  129    HA   ASN  27           HA       ASN  27  -4.242 -14.939  -6.474
  130   1HB   ASN  27          2HB       ASN  27  -2.831 -16.182  -4.917
  131   2HB   ASN  27          3HB       ASN  27  -2.526 -14.722  -3.963
  132   1HD2  ASN  27          1HD2      ASN  27  -5.005 -16.314  -1.908
  133   2HD2  ASN  27          2HD2      ASN  27  -3.273 -16.274  -2.229
  134    H    TRP  28           H        TRP  28  -2.675 -12.409  -4.418
  135    HA   TRP  28           HA       TRP  28  -5.011 -11.095  -3.526
  136   1HB   TRP  28          2HB       TRP  28  -3.654  -9.239  -3.027
  137   2HB   TRP  28          3HB       TRP  28  -2.803 -10.707  -2.584
  138    HD1  TRP  28           HD1      TRP  28  -0.464 -11.088  -3.578
  139    HE1  TRP  28           HE1      TRP  28   1.127  -9.806  -5.112
  140    HE3  TRP  28           HE3      TRP  28  -3.671  -7.430  -5.222
  141    HZ2  TRP  28           HZ2      TRP  28   0.965  -7.644  -7.000
  142    HZ3  TRP  28           HZ3      TRP  28  -2.911  -5.771  -6.897
  143    HH2  TRP  28           HH2      TRP  28  -0.652  -5.903  -7.845
  144    H    LYS  29           H        LYS  29  -3.105 -10.607  -6.565
  145    HA   LYS  29           HA       LYS  29  -4.645  -8.334  -7.330
  146   1HB   LYS  29          2HB       LYS  29  -2.362  -8.738  -8.221
  147   2HB   LYS  29          3HB       LYS  29  -2.919 -10.234  -8.973
  148   1HG   LYS  29          2HG       LYS  29  -2.795  -8.510 -10.637
  149   2HG   LYS  29          3HG       LYS  29  -4.472  -8.996 -10.388
  150   1HD   LYS  29          2HD       LYS  29  -4.334  -6.783  -8.712
  151   2HD   LYS  29          3HD       LYS  29  -3.063  -6.430  -9.875
  152   1HE   LYS  29          2HE       LYS  29  -5.116  -5.492 -10.748
  153   2HE   LYS  29          3HE       LYS  29  -4.793  -6.934 -11.708
  154   1HZ   LYS  29          1HZ       LYS  29  -6.373  -8.076 -10.199
  155   2HZ   LYS  29          2HZ       LYS  29  -6.697  -6.627  -9.499
  156   3HZ   LYS  29          3HZ       LYS  29  -7.045  -6.850 -11.091
  157    H    LEU  30           H        LEU  30  -4.824 -11.841  -8.054
  158    HA   LEU  30           HA       LEU  30  -6.999 -11.551  -9.833
  159   1HB   LEU  30          2HB       LEU  30  -5.649 -13.660  -9.525
  160   2HB   LEU  30          3HB       LEU  30  -6.533 -13.927  -8.013
  161    HG   LEU  30           HG       LEU  30  -8.695 -13.850  -9.332
  162   1HD1  LEU  30          1HD1      LEU  30  -6.735 -13.585 -11.643
  163   2HD1  LEU  30          2HD1      LEU  30  -8.340 -14.250 -11.887
  164   3HD1  LEU  30          3HD1      LEU  30  -8.188 -12.602 -11.322
  165   1HD2  LEU  30          1HD2      LEU  30  -7.386 -15.983  -8.778
  166   2HD2  LEU  30          2HD2      LEU  30  -8.591 -16.063 -10.077
  167   3HD2  LEU  30          3HD2      LEU  30  -6.872 -15.946 -10.482
  168    H    GLN  31           H        GLN  31  -6.886 -11.824  -6.249
  169    HA   GLN  31           HA       GLN  31  -9.727 -11.851  -5.866
  170   1HB   GLN  31          2HB       GLN  31  -7.617 -10.646  -4.038
  171   2HB   GLN  31          3HB       GLN  31  -9.296 -10.961  -3.661
  172   1HG   GLN  31          2HG       GLN  31  -6.984 -12.837  -3.773
  173   2HG   GLN  31          3HG       GLN  31  -8.392 -12.856  -2.731
  174   1HE2  GLN  31          1HE2      GLN  31  -8.286 -15.190  -6.058
  175   2HE2  GLN  31          2HE2      GLN  31  -6.937 -14.159  -5.566
  176    H    ALA  32           H        ALA  32  -7.398  -9.153  -6.133
  177    HA   ALA  32           HA       ALA  32  -9.281  -7.072  -5.787
  178   1HB   ALA  32          3HB       ALA  32  -6.788  -6.829  -5.769
  179   2HB   ALA  32          1HB       ALA  32  -6.778  -7.042  -7.521
  180   3HB   ALA  32          2HB       ALA  32  -7.600  -5.635  -6.815
  181    H    HIS  33           H        HIS  33  -8.401  -8.863  -8.770
  182    HA   HIS  33           HA       HIS  33 -10.194  -7.337 -10.454
  183   1HB   HIS  33          2HB       HIS  33  -8.483  -8.701 -11.460
  184   2HB   HIS  33          3HB       HIS  33  -9.112 -10.159 -10.698
  185    HD1  HIS  33           HD1      HIS  33  -9.714  -7.954 -13.726
  186    HD2  HIS  33           HD2      HIS  33 -11.387 -11.242 -11.693
  187    HE1  HIS  33           HE1      HIS  33 -11.503  -8.934 -15.257
  188    H    LEU  34           H        LEU  34 -10.566 -10.525  -8.839
  189    HA   LEU  34           HA       LEU  34 -13.216 -11.026  -9.505
  190   1HB   LEU  34          2HB       LEU  34 -11.681 -11.844  -7.038
  191   2HB   LEU  34          3HB       LEU  34 -13.268 -12.474  -7.440
  192    HG   LEU  34           HG       LEU  34 -10.957 -12.740  -9.382
  193   1HD1  LEU  34          3HD1      LEU  34 -11.862 -14.675  -7.202
  194   2HD1  LEU  34          1HD1      LEU  34 -10.701 -15.053  -8.491
  195   3HD1  LEU  34          2HD1      LEU  34 -10.303 -13.827  -7.274
  196   1HD2  LEU  34          3HD2      LEU  34 -13.563 -14.285  -9.059
  197   2HD2  LEU  34          1HD2      LEU  34 -13.227 -13.087 -10.331
  198   3HD2  LEU  34          2HD2      LEU  34 -12.307 -14.593 -10.269
  199    H    SER  35           H        SER  35 -12.016  -8.841  -6.975
  200    HA   SER  35           HA       SER  35 -14.387  -8.611  -5.502
  201   1HB   SER  35          2HB       SER  35 -13.613  -6.614  -4.638
  202   2HB   SER  35          3HB       SER  35 -12.145  -7.551  -4.977
  203    HG   SER  35           HG       SER  35 -11.910  -6.260  -6.879
  204    H    LYS  36           H        LYS  36 -13.651  -7.359  -8.739
  205    HA   LYS  36           HA       LYS  36 -15.798  -5.481  -8.938
  206   1HB   LYS  36          2HB       LYS  36 -14.446  -7.137 -11.108
  207   2HB   LYS  36          3HB       LYS  36 -15.450  -5.701 -11.351
  208   1HG   LYS  36          2HG       LYS  36 -13.825  -4.287 -10.181
  209   2HG   LYS  36          3HG       LYS  36 -12.861  -5.687  -9.726
  210   1HD   LYS  36          2HD       LYS  36 -11.800  -4.574 -11.588
  211   2HD   LYS  36          3HD       LYS  36 -12.310  -6.208 -12.024
  212   1HE   LYS  36          2HE       LYS  36 -12.740  -4.568 -13.836
  213   2HE   LYS  36          3HE       LYS  36 -14.230  -5.334 -13.280
  214   1HZ   LYS  36          3HZ       LYS  36 -13.266  -2.677 -12.464
  215   2HZ   LYS  36          1HZ       LYS  36 -14.466  -2.974 -13.554
  216   3HZ   LYS  36          2HZ       LYS  36 -14.672  -3.385 -11.973
  217    H    HIS  37           H        HIS  37 -15.633  -9.008  -9.298
  218    HA   HIS  37           HA       HIS  37 -18.369  -9.196 -10.428
  219   1HB   HIS  37          2HB       HIS  37 -16.294 -11.269  -9.655
  220   2HB   HIS  37          3HB       HIS  37 -17.878 -11.635 -10.325
  221    HD1  HIS  37           HD1      HIS  37 -18.233 -11.163 -12.944
  222    HD2  HIS  37           HD2      HIS  37 -14.357 -10.965 -11.357
  223    HE1  HIS  37           HE1      HIS  37 -16.624 -11.689 -14.854
  224    H    THR  38           H        THR  38 -16.536 -10.244  -7.581
  225    HA   THR  38           HA       THR  38 -18.843 -11.413  -6.245
  226    HB   THR  38           HB       THR  38 -17.178 -12.138  -4.632
  227    HG1  THR  38          1HG       THR  38 -15.272 -10.673  -6.151
  228   1HG2  THR  38          1HG2      THR  38 -17.317 -13.435  -6.735
  229   2HG2  THR  38          2HG2      THR  38 -16.020 -12.441  -7.440
  230   3HG2  THR  38          3HG2      THR  38 -15.688 -13.456  -6.032
  231    H    GLY  39           H        GLY  39 -16.919  -8.427  -5.834
  232   1HA   GLY  39          2HA       GLY  39 -17.322  -6.642  -4.427
  233   2HA   GLY  39          3HA       GLY  39 -18.677  -7.493  -3.678
  234    H    GLU  40           H        GLU  40 -15.896  -9.562  -3.818
  235    HA   GLU  40           HA       GLU  40 -15.581  -9.411  -0.926
  236   1HB   GLU  40          2HB       GLU  40 -14.136 -10.945  -3.121
  237   2HB   GLU  40          3HB       GLU  40 -13.752 -11.101  -1.407
  238   1HG   GLU  40          2HG       GLU  40 -15.994 -11.890  -0.873
  239   2HG   GLU  40          3HG       GLU  40 -16.544 -11.609  -2.526
  240    H    LYS  41           H        LYS  41 -14.031  -8.335   0.214
  241    HA   LYS  41           HA       LYS  41 -11.661  -7.188  -1.203
  242   1HB   LYS  41          2HB       LYS  41 -13.195  -5.638   0.889
  243   2HB   LYS  41          3HB       LYS  41 -11.920  -5.112  -0.223
  244   1HG   LYS  41          2HG       LYS  41 -13.611  -5.787  -2.116
  245   2HG   LYS  41          3HG       LYS  41 -14.806  -5.833  -0.809
  246   1HD   LYS  41          2HD       LYS  41 -15.110  -3.670  -1.486
  247   2HD   LYS  41          3HD       LYS  41 -13.859  -3.441  -0.259
  248   1HE   LYS  41          2HE       LYS  41 -13.251  -2.151  -2.196
  249   2HE   LYS  41          3HE       LYS  41 -12.127  -3.508  -2.121
  250   1HZ   LYS  41          1HZ       LYS  41 -14.520  -3.374  -3.826
  251   2HZ   LYS  41          2HZ       LYS  41 -12.975  -3.119  -4.332
  252   3HZ   LYS  41          3HZ       LYS  41 -13.425  -4.604  -3.800
  253    HA   PRO  42           HA       PRO  42 -10.698 -10.260   2.073
  254   1HB   PRO  42          2HB       PRO  42  -8.074 -10.100   0.603
  255   2HB   PRO  42          3HB       PRO  42  -8.894 -11.537   1.267
  256   1HG   PRO  42          2HG       PRO  42  -9.017 -10.913  -1.376
  257   2HG   PRO  42          3HG       PRO  42 -10.474 -11.531  -0.527
  258   1HD   PRO  42          2HD       PRO  42  -9.778  -8.725  -1.324
  259   2HD   PRO  42          3HD       PRO  42 -11.349  -9.559  -1.337
  260    H    PHE  43           H        PHE  43  -9.010  -7.177   1.557
  261    HA   PHE  43           HA       PHE  43  -7.519  -7.565   4.131
  262   1HB   PHE  43          2HB       PHE  43  -6.845  -5.997   1.651
  263   2HB   PHE  43          3HB       PHE  43  -6.060  -5.779   3.199
  264    HD1  PHE  43           HD1      PHE  43  -6.565  -8.245   0.407
  265    HD2  PHE  43           HD2      PHE  43  -4.602  -7.455   4.179
  266    HE1  PHE  43           HE1      PHE  43  -5.113 -10.191   0.061
  267    HE2  PHE  43           HE2      PHE  43  -3.187  -9.455   3.840
  268    HZ   PHE  43           HZ       PHE  43  -3.410 -10.809   1.768
  269    HA   PRO  44           HA       PRO  44 -10.666  -4.281   4.976
  270   1HB   PRO  44          2HB       PRO  44 -11.574  -5.197   7.385
  271   2HB   PRO  44          3HB       PRO  44 -12.175  -5.828   5.826
  272   1HG   PRO  44          2HG       PRO  44  -9.999  -6.981   7.590
  273   2HG   PRO  44          3HG       PRO  44 -11.416  -7.842   6.914
  274   1HD   PRO  44          2HD       PRO  44  -8.980  -7.935   5.735
  275   2HD   PRO  44          3HD       PRO  44 -10.475  -7.833   4.750
  276    H    CYS  45           H        CYS  45 -10.181  -2.481   6.191
  277    HA   CYS  45           HA       CYS  45  -7.575  -2.271   7.423
  278   1HB   CYS  45          2HB       CYS  45  -8.642  -0.556   5.995
  279   2HB   CYS  45          3HB       CYS  45  -9.872  -0.326   7.241
  280    H    LYS  46           H        LYS  46 -10.692  -3.061   8.661
  281    HA   LYS  46           HA       LYS  46 -11.406  -3.681  10.663
  282   1HB   LYS  46          2HB       LYS  46  -8.622  -3.264  11.768
  283   2HB   LYS  46          3HB       LYS  46  -9.954  -4.134  12.508
  284   1HG   LYS  46          2HG       LYS  46  -8.645  -4.930   9.873
  285   2HG   LYS  46          3HG       LYS  46  -8.254  -5.595  11.464
  286   1HD   LYS  46          2HD       LYS  46 -10.756  -6.230  11.653
  287   2HD   LYS  46          3HD       LYS  46 -10.855  -5.868   9.916
  288   1HE   LYS  46          2HE       LYS  46  -8.943  -7.509   9.557
  289   2HE   LYS  46          3HE       LYS  46  -9.041  -7.920  11.275
  290   1HZ   LYS  46          2HZ       LYS  46 -11.294  -8.618  10.930
  291   2HZ   LYS  46          3HZ       LYS  46 -11.215  -8.236   9.328
  292   3HZ   LYS  46          1HZ       LYS  46 -10.272  -9.444   9.934
  293    H    GLU  47           H        GLU  47  -9.325  -0.795  10.944
  294    HA   GLU  47           HA       GLU  47 -10.128   0.326  13.275
  295   1HB   GLU  47          2HB       GLU  47  -9.710   1.741  10.610
  296   2HB   GLU  47          3HB       GLU  47  -9.815   2.560  12.179
  297   1HG   GLU  47          2HG       GLU  47  -7.891   1.167  12.994
  298   2HG   GLU  47          3HG       GLU  47  -7.701   0.517  11.355
  299    H    GLU  48           H        GLU  48 -11.836   1.299  14.188
  300    HA   GLU  48           HA       GLU  48 -14.456   0.998  13.146
  301   1HB   GLU  48          2HB       GLU  48 -13.409   2.900  15.295
  302   2HB   GLU  48          3HB       GLU  48 -15.115   2.537  14.991
  303   1HG   GLU  48          2HG       GLU  48 -14.702   0.132  15.478
  304   2HG   GLU  48          3HG       GLU  48 -13.007   0.491  15.842
  305    H    GLY  49           H        GLY  49 -15.712   2.312  11.853
  306   1HA   GLY  49          2HA       GLY  49 -16.347   4.141  10.588
  307   2HA   GLY  49          3HA       GLY  49 -15.058   5.116  11.315
  308    H    CYS  50           H        CYS  50 -12.757   4.117  10.711
  309    HA   CYS  50           HA       CYS  50 -12.509   4.246   7.792
  310   1HB   CYS  50          2HB       CYS  50 -11.011   5.472   9.223
  311   2HB   CYS  50          3HB       CYS  50 -10.513   4.012  10.071
  312    H    GLU  51           H        GLU  51 -14.043   2.005   8.377
  313    HA   GLU  51           HA       GLU  51 -12.264  -0.331   8.442
  314   1HB   GLU  51          2HB       GLU  51 -14.650  -0.010   9.522
  315   2HB   GLU  51          3HB       GLU  51 -15.230  -0.508   7.929
  316   1HG   GLU  51          2HG       GLU  51 -13.392  -1.984   9.850
  317   2HG   GLU  51          3HG       GLU  51 -15.037  -2.439   9.398
  318    H    LYS  52           H        LYS  52 -11.294   0.916   6.462
  319    HA   LYS  52           HA       LYS  52 -12.666   0.808   3.944
  320   1HB   LYS  52          2HB       LYS  52  -9.666   0.761   4.416
  321   2HB   LYS  52          3HB       LYS  52 -10.514   1.249   2.940
  322   1HG   LYS  52          2HG       LYS  52 -10.739   2.704   5.629
  323   2HG   LYS  52          3HG       LYS  52  -9.576   3.104   4.378
  324   1HD   LYS  52          2HD       LYS  52 -11.270   3.754   2.818
  325   2HD   LYS  52          3HD       LYS  52 -12.568   3.052   3.793
  326   1HE   LYS  52          2HE       LYS  52 -12.471   5.535   3.950
  327   2HE   LYS  52          3HE       LYS  52 -12.348   4.711   5.508
  328   1HZ   LYS  52          2HZ       LYS  52 -10.082   5.782   3.977
  329   2HZ   LYS  52          3HZ       LYS  52 -10.774   6.488   5.298
  330   3HZ   LYS  52          1HZ       LYS  52  -9.995   5.045   5.452
  331    H    GLY  53           H        GLY  53 -12.735  -0.756   2.372
  332   1HA   GLY  53          2HA       GLY  53 -11.870  -3.515   3.117
  333   2HA   GLY  53          3HA       GLY  53 -13.099  -3.047   1.945
  334    H    PHE  54           H        PHE  54  -9.601  -3.336   2.512
  335    HA   PHE  54           HA       PHE  54  -9.063  -2.561  -0.305
  336   1HB   PHE  54          2HB       PHE  54  -7.310  -2.965   2.101
  337   2HB   PHE  54          3HB       PHE  54  -6.646  -3.059   0.483
  338    HD1  PHE  54           HD2      PHE  54  -7.012  -1.164  -1.152
  339    HD2  PHE  54           HD1      PHE  54  -8.077  -0.777   2.993
  340    HE1  PHE  54           HE2      PHE  54  -6.888   1.297  -1.367
  341    HE2  PHE  54           HE1      PHE  54  -8.188   1.687   2.713
  342    HZ   PHE  54           HZ       PHE  54  -7.616   2.728   0.539
  343    H    THR  55           H        THR  55  -7.905  -3.962  -1.751
  344    HA   THR  55           HA       THR  55  -8.775  -6.771  -1.473
  345    HB   THR  55           HB       THR  55  -8.167  -6.615  -3.967
  346    HG1  THR  55          1HG       THR  55  -8.427  -4.330  -4.638
  347   1HG2  THR  55          1HG2      THR  55 -10.461  -5.041  -2.714
  348   2HG2  THR  55          2HG2      THR  55 -10.406  -5.515  -4.420
  349   3HG2  THR  55          3HG2      THR  55 -10.463  -6.757  -3.170
  350    H    SER  56           H        SER  56  -5.823  -5.062  -0.968
  351    HA   SER  56           HA       SER  56  -4.458  -7.644  -1.036
  352   1HB   SER  56          2HB       SER  56  -2.831  -7.203  -2.572
  353   2HB   SER  56          3HB       SER  56  -4.207  -6.396  -3.325
  354    HG   SER  56           HG       SER  56  -2.579  -4.943  -3.372
  355    H    LEU  57           H        LEU  57  -2.501  -7.611   0.145
  356    HA   LEU  57           HA       LEU  57  -2.601  -6.027   2.479
  357   1HB   LEU  57          2HB       LEU  57  -1.451  -8.230   2.351
  358   2HB   LEU  57          3HB       LEU  57  -0.238  -7.541   1.270
  359    HG   LEU  57           HG       LEU  57   0.545  -6.049   3.056
  360   1HD1  LEU  57          3HD1      LEU  57  -1.656  -7.327   4.741
  361   2HD1  LEU  57          1HD1      LEU  57  -0.315  -6.370   5.400
  362   3HD1  LEU  57          2HD1      LEU  57  -1.496  -5.601   4.340
  363   1HD2  LEU  57          3HD2      LEU  57   1.490  -8.322   2.852
  364   2HD2  LEU  57          1HD2      LEU  57   1.494  -7.765   4.535
  365   3HD2  LEU  57          2HD2      LEU  57   0.271  -8.934   3.990
  366    H    HIS  58           H        HIS  58  -0.711  -5.723  -0.576
  367    HA   HIS  58           HA       HIS  58   0.803  -3.473   0.296
  368   1HB   HIS  58          2HB       HIS  58   1.560  -4.634  -1.634
  369   2HB   HIS  58          3HB       HIS  58   0.062  -4.355  -2.510
  370    HD1  HIS  58           HD1      HIS  58   2.674  -2.013  -0.810
  371    HD2  HIS  58           HD2      HIS  58  -0.038  -2.237  -4.013
  372    HE1  HIS  58           HE1      HIS  58   2.843   0.203  -2.064
  373    H    HIS  59           H        HIS  59  -2.341  -3.666  -1.508
  374    HA   HIS  59           HA       HIS  59  -2.699  -0.890  -1.829
  375   1HB   HIS  59          2HB       HIS  59  -4.913  -2.887  -1.275
  376   2HB   HIS  59          3HB       HIS  59  -5.024  -1.297  -2.061
  377    HD1  HIS  59           HD1      HIS  59  -6.108  -3.842  -3.623
  378    HD2  HIS  59           HD2      HIS  59  -2.277  -2.080  -3.936
  379    HE1  HIS  59           HE1      HIS  59  -5.175  -4.495  -5.906
  380    HE2  HIS  59           HE2      HIS  59  -2.861  -3.408  -6.105
  381    H    LEU  60           H        LEU  60  -3.619  -3.041   0.884
  382    HA   LEU  60           HA       LEU  60  -4.693  -1.016   2.532
  383   1HB   LEU  60          2HB       LEU  60  -5.011  -3.473   2.848
  384   2HB   LEU  60          3HB       LEU  60  -3.320  -3.617   3.344
  385    HG   LEU  60           HG       LEU  60  -3.780  -2.097   5.279
  386   1HD1  LEU  60          1HD1      LEU  60  -6.700  -2.369   4.404
  387   2HD1  LEU  60          2HD1      LEU  60  -6.107  -1.645   5.916
  388   3HD1  LEU  60          3HD1      LEU  60  -5.761  -0.860   4.387
  389   1HD2  LEU  60          3HD2      LEU  60  -3.869  -4.574   5.476
  390   2HD2  LEU  60          1HD2      LEU  60  -4.978  -3.759   6.598
  391   3HD2  LEU  60          2HD2      LEU  60  -5.614  -4.521   5.130
  392    H    THR  61           H        THR  61  -1.336  -2.184   2.145
  393    HA   THR  61           HA       THR  61  -0.219  -0.743   4.330
  394    HB   THR  61           HB       THR  61   1.156  -1.595   1.766
  395    HG1  THR  61          1HG       THR  61   0.116  -3.277   3.027
  396   1HG2  THR  61          3HG2      THR  61   2.253  -0.915   4.524
  397   2HG2  THR  61          1HG2      THR  61   3.186  -1.616   3.188
  398   3HG2  THR  61          2HG2      THR  61   2.523   0.020   3.037
  399    H    ARG  62           H        ARG  62  -0.420   0.151   0.792
  400    HA   ARG  62           HA       ARG  62   0.753   2.710   1.265
  401   1HB   ARG  62          2HB       ARG  62  -0.180   3.462  -0.856
  402   2HB   ARG  62          3HB       ARG  62   0.809   1.999  -0.929
  403   1HG   ARG  62          2HG       ARG  62  -1.154   0.612  -1.172
  404   2HG   ARG  62          3HG       ARG  62  -2.238   2.006  -0.992
  405   1HD   ARG  62          2HD       ARG  62  -1.371   2.978  -3.082
  406   2HD   ARG  62          3HD       ARG  62  -0.083   1.769  -3.144
  407    HE   ARG  62           HE       ARG  62  -1.468   0.288  -4.129
  408   1HH1  ARG  62          1HH1      ARG  62  -3.535   2.739  -2.571
  409   2HH1  ARG  62          2HH1      ARG  62  -4.952   2.216  -3.482
  410   1HH2  ARG  62          1HH2      ARG  62  -3.384  -0.389  -5.165
  411   2HH2  ARG  62          2HH2      ARG  62  -4.904   0.380  -4.756
  412    H    HIS  63           H        HIS  63  -2.647   1.603   1.505
  413    HA   HIS  63           HA       HIS  63  -3.765   4.186   2.022
  414   1HB   HIS  63          2HB       HIS  63  -5.201   2.351   1.573
  415   2HB   HIS  63          3HB       HIS  63  -4.560   1.384   2.895
  416    HD1  HIS  63           HD1      HIS  63  -6.319   4.830   2.663
  417    HD2  HIS  63           HD2      HIS  63  -5.847   1.483   5.159
  418    HE1  HIS  63           HE1      HIS  63  -7.650   5.306   4.784
  419    H    SER  64           H        SER  64  -2.406   1.740   4.323
  420    HA   SER  64           HA       SER  64  -2.953   3.200   6.639
  421   1HB   SER  64          2HB       SER  64  -1.437   1.807   7.812
  422   2HB   SER  64          3HB       SER  64  -2.246   0.825   6.578
  423    HG   SER  64           HG       SER  64  -0.252   1.393   5.283
  424    H    LEU  65           H        LEU  65  -0.446   3.901   4.277
  425    HA   LEU  65           HA       LEU  65   1.358   5.402   5.826
  426   1HB   LEU  65          2HB       LEU  65   0.338   6.116   3.065
  427   2HB   LEU  65          3HB       LEU  65   1.810   6.722   3.816
  428    HG   LEU  65           HG       LEU  65   1.330   3.811   3.119
  429   1HD1  LEU  65          2HD1      LEU  65   1.457   5.277   1.123
  430   2HD1  LEU  65          3HD1      LEU  65   2.949   5.998   1.753
  431   3HD1  LEU  65          1HD1      LEU  65   2.926   4.287   1.255
  432   1HD2  LEU  65          1HD2      LEU  65   2.979   4.092   4.965
  433   2HD2  LEU  65          2HD2      LEU  65   3.719   3.505   3.473
  434   3HD2  LEU  65          3HD2      LEU  65   3.909   5.205   3.926
  435    H    THR  66           H        THR  66  -1.951   6.187   4.797
  436    HA   THR  66           HA       THR  66  -1.822   9.000   5.344
  437    HB   THR  66           HB       THR  66  -4.231   8.942   5.287
  438    HG1  THR  66          1HG       THR  66  -4.081   6.113   5.165
  439   1HG2  THR  66          2HG2      THR  66  -2.957   8.723   3.123
  440   2HG2  THR  66          3HG2      THR  66  -3.205   6.974   3.173
  441   3HG2  THR  66          1HG2      THR  66  -4.601   8.057   3.068
  442    H    HIS  67           H        HIS  67  -2.246   6.175   7.413
  443    HA   HIS  67           HA       HIS  67  -3.337   7.648   9.689
  444   1HB   HIS  67          2HB       HIS  67  -2.152   4.839   9.499
  445   2HB   HIS  67          3HB       HIS  67  -3.060   5.497  10.849
  446    HD1  HIS  67           HD1      HIS  67  -4.875   6.727   7.966
  447    HD2  HIS  67           HD2      HIS  67  -4.316   2.950   9.732
  448    HE1  HIS  67           HE1      HIS  67  -6.785   5.306   7.184
  449    H    THR  68           H        THR  68  -0.201   6.126   8.767
  450    HA   THR  68           HA       THR  68   1.173   7.052  11.144
  451    HB   THR  68           HB       THR  68   3.168   6.279   9.723
  452    HG1  THR  68          1HG       THR  68   2.589   5.223   7.817
  453   1HG2  THR  68          2HG2      THR  68   0.793   4.361  10.041
  454   2HG2  THR  68          3HG2      THR  68   2.493   3.887   9.838
  455   3HG2  THR  68          1HG2      THR  68   1.982   4.751  11.300
  456    H    GLY  69           H        GLY  69   0.427   8.411   7.989
  457   1HA   GLY  69          2HA       GLY  69   0.623  10.574   7.251
  458   2HA   GLY  69          3HA       GLY  69   1.470  11.037   8.740
  459    H    GLU  70           H        GLU  70   2.325   8.290   6.661
  460    HA   GLU  70           HA       GLU  70   5.076   9.306   6.406
  461   1HB   GLU  70          2HB       GLU  70   3.732   6.738   5.575
  462   2HB   GLU  70          3HB       GLU  70   5.437   7.121   5.237
  463   1HG   GLU  70          2HG       GLU  70   5.972   7.353   7.562
  464   2HG   GLU  70          3HG       GLU  70   4.284   7.143   8.028
  465    H    LYS  71           H        LYS  71   3.846  11.196   5.294
  466    HA   LYS  71           HA       LYS  71   3.476  10.930   2.382
  467   1HB   LYS  71          2HB       LYS  71   2.222  12.557   3.886
  468   2HB   LYS  71          3HB       LYS  71   3.748  13.363   4.189
  469   1HG   LYS  71          2HG       LYS  71   3.933  13.950   1.833
  470   2HG   LYS  71          3HG       LYS  71   2.477  13.023   1.417
  471   1HD   LYS  71          2HD       LYS  71   2.482  15.203   3.521
  472   2HD   LYS  71          3HD       LYS  71   2.251  15.581   1.794
  473   1HE   LYS  71          2HE       LYS  71   0.260  14.009   1.811
  474   2HE   LYS  71          3HE       LYS  71   0.453  13.841   3.563
  475   1HZ   LYS  71          3HZ       LYS  71   0.165  16.202   3.757
  476   2HZ   LYS  71          1HZ       LYS  71  -0.047  16.342   2.127
  477   3HZ   LYS  71          2HZ       LYS  71  -1.137  15.498   3.032
  478    H    ASN  72           H        ASN  72   5.600   9.812   2.206
  479    HA   ASN  72           HA       ASN  72   7.978  11.631   2.530
  480   1HB   ASN  72          2HB       ASN  72   7.869   8.621   2.728
  481   2HB   ASN  72          3HB       ASN  72   9.259   9.657   3.064
  482   1HD2  ASN  72          1HD2      ASN  72   7.088  10.865   6.059
  483   2HD2  ASN  72          2HD2      ASN  72   7.300  11.673   4.512
  484    H    PHE  73           H        PHE  73   6.199  10.276  -0.026
  485    HA   PHE  73           HA       PHE  73   8.569   9.478  -1.558
  486   1HB   PHE  73          2HB       PHE  73   5.668   9.812  -2.362
  487   2HB   PHE  73          3HB       PHE  73   6.964   9.305  -3.439
  488    HD1  PHE  73           HD1      PHE  73   8.469   7.357  -2.743
  489    HD2  PHE  73           HD2      PHE  73   4.805   8.238  -0.681
  490    HE1  PHE  73           HE1      PHE  73   8.574   5.163  -1.639
  491    HE2  PHE  73           HE2      PHE  73   4.848   6.001   0.363
  492    HZ   PHE  73           HZ       PHE  73   6.747   4.455  -0.080
  493    H    THR  74           H        THR  74   9.850  11.127  -1.364
  494    HA   THR  74           HA       THR  74   9.258  13.866  -1.930
  495    HB   THR  74           HB       THR  74  11.916  12.452  -1.635
  496    HG1  THR  74          1HG       THR  74  10.301  12.098   0.097
  497   1HG2  THR  74          3HG2      THR  74  11.064  15.334  -1.087
  498   2HG2  THR  74          1HG2      THR  74  12.652  14.634  -0.719
  499   3HG2  THR  74          2HG2      THR  74  12.131  14.786  -2.405
  500    H    CYS  75           H        CYS  75   9.030  14.730  -3.911
  501    HA   CYS  75           HA       CYS  75   9.828  13.540  -6.387
  502   1HB   CYS  75          2HB       CYS  75   8.122  15.167  -6.446
  503   2HB   CYS  75          3HB       CYS  75   9.061  16.336  -5.504
  504    H    ASP  76           H        ASP  76  11.907  13.196  -6.993
  505    HA   ASP  76           HA       ASP  76  14.122  14.558  -5.714
  506   1HB   ASP  76          2HB       ASP  76  14.288  12.234  -6.358
  507   2HB   ASP  76          3HB       ASP  76  13.994  12.636  -8.066
  508    H    SER  77           H        SER  77  13.284  16.719  -6.240
  509    HA   SER  77           HA       SER  77  14.561  17.798  -8.681
  510   1HB   SER  77          2HB       SER  77  12.152  17.288  -9.235
  511   2HB   SER  77          3HB       SER  77  11.669  18.393  -7.928
  512    HG   SER  77           HG       SER  77  11.737  19.362 -10.030
  513    H    ASP  78           H        ASP  78  15.948  19.231  -7.753
  514    HA   ASP  78           HA       ASP  78  15.968  20.088  -5.131
  515   1HB   ASP  78          2HB       ASP  78  17.018  21.573  -7.580
  516   2HB   ASP  78          3HB       ASP  78  17.489  21.897  -5.906
  517    H    GLY  79           H        GLY  79  14.907  21.619  -3.932
  518   1HA   GLY  79          2HA       GLY  79  13.695  23.547  -3.455
  519   2HA   GLY  79          3HA       GLY  79  13.570  23.940  -5.179
  520    H    CYS  80           H        CYS  80  12.438  21.844  -6.353
  521    HA   CYS  80           HA       CYS  80   9.685  21.753  -5.329
  522   1HB   CYS  80          2HB       CYS  80  10.135  22.094  -7.676
  523   2HB   CYS  80          3HB       CYS  80  11.085  20.621  -7.775
  524    H    ASP  81           H        ASP  81  11.324  20.642  -3.412
  525    HA   ASP  81           HA       ASP  81  11.376  17.708  -3.716
  526   1HB   ASP  81          2HB       ASP  81  12.120  19.498  -1.389
  527   2HB   ASP  81          3HB       ASP  81  12.363  17.750  -1.472
  528    H    LEU  82           H        LEU  82   8.871  18.409  -4.166
  529    HA   LEU  82           HA       LEU  82   7.206  18.596  -1.793
  530   1HB   LEU  82          2HB       LEU  82   6.651  17.860  -4.687
  531   2HB   LEU  82          3HB       LEU  82   5.375  17.966  -3.462
  532    HG   LEU  82           HG       LEU  82   7.209  20.268  -4.277
  533   1HD1  LEU  82          1HD1      LEU  82   5.764  19.534  -6.136
  534   2HD1  LEU  82          2HD1      LEU  82   4.332  19.641  -5.087
  535   3HD1  LEU  82          3HD1      LEU  82   5.241  21.107  -5.515
  536   1HD2  LEU  82          1HD2      LEU  82   4.657  20.177  -2.591
  537   2HD2  LEU  82          2HD2      LEU  82   6.284  20.603  -2.012
  538   3HD2  LEU  82          3HD2      LEU  82   5.452  21.660  -3.153
  539    H    ARG  83           H        ARG  83   6.341  16.974  -0.565
  540    HA   ARG  83           HA       ARG  83   7.245  14.205  -1.149
  541   1HB   ARG  83          2HB       ARG  83   6.158  15.184   1.487
  542   2HB   ARG  83          3HB       ARG  83   7.158  13.770   1.112
  543   1HG   ARG  83          2HG       ARG  83   8.961  15.520   0.347
  544   2HG   ARG  83          3HG       ARG  83   7.956  16.702   1.200
  545   1HD   ARG  83          2HD       ARG  83   9.537  16.020   2.803
  546   2HD   ARG  83          3HD       ARG  83   8.068  15.101   3.219
  547    HE   ARG  83           HE       ARG  83  10.017  13.835   1.373
  548   1HH1  ARG  83          1HH2      ARG  83   8.992  14.067   4.760
  549   2HH1  ARG  83          2HH2      ARG  83   9.867  12.639   5.244
  550   1HH2  ARG  83          2HH1      ARG  83  11.156  12.098   1.968
  551   2HH2  ARG  83          1HH1      ARG  83  11.173  11.483   3.610
  552    H    PHE  84           H        PHE  84   5.781  12.757  -1.821
  553    HA   PHE  84           HA       PHE  84   2.884  13.420  -1.588
  554   1HB   PHE  84          2HB       PHE  84   4.321  11.678  -3.609
  555   2HB   PHE  84          3HB       PHE  84   2.599  12.032  -3.567
  556    HD1  PHE  84           HD2      PHE  84   5.965  13.585  -4.115
  557    HD2  PHE  84           HD1      PHE  84   1.694  14.033  -4.581
  558    HE1  PHE  84           HE2      PHE  84   6.308  15.722  -5.259
  559    HE2  PHE  84           HE1      PHE  84   2.080  16.133  -5.828
  560    HZ   PHE  84           HZ       PHE  84   4.360  17.091  -5.973
  561    H    THR  85           H        THR  85   1.395  11.560  -1.507
  562    HA   THR  85           HA       THR  85   1.916   9.899   0.749
  563    HB   THR  85           HB       THR  85  -0.410   9.010  -0.113
  564    HG1  THR  85          1HG       THR  85  -0.486   9.780  -2.186
  565   1HG2  THR  85          1HG2      THR  85  -0.085  10.654   1.752
  566   2HG2  THR  85          2HG2      THR  85  -0.076  11.971   0.553
  567   3HG2  THR  85          3HG2      THR  85  -1.527  10.976   0.777
  568    H    THR  86           H        THR  86   1.941   9.166  -2.792
  569    HA   THR  86           HA       THR  86   3.187   6.562  -2.054
  570    HB   THR  86           HB       THR  86   1.904   5.330  -3.596
  571    HG1  THR  86          1HG       THR  86   0.278   7.487  -4.278
  572   1HG2  THR  86          3HG2      THR  86   0.786   5.684  -1.404
  573   2HG2  THR  86          1HG2      THR  86  -0.132   7.036  -2.097
  574   3HG2  THR  86          2HG2      THR  86  -0.357   5.401  -2.734
  575    H    LYS  87           H        LYS  87   4.333   5.581  -3.859
  576    HA   LYS  87           HA       LYS  87   5.998   7.395  -5.252
  577   1HB   LYS  87          2HB       LYS  87   5.369   4.446  -5.777
  578   2HB   LYS  87          3HB       LYS  87   6.604   5.382  -6.651
  579   1HG   LYS  87          2HG       LYS  87   7.739   5.931  -4.580
  580   2HG   LYS  87          3HG       LYS  87   6.553   5.006  -3.638
  581   1HD   LYS  87          2HD       LYS  87   8.326   3.765  -5.793
  582   2HD   LYS  87          3HD       LYS  87   8.818   3.930  -4.104
  583   1HE   LYS  87          2HE       LYS  87   6.744   2.661  -3.415
  584   2HE   LYS  87          3HE       LYS  87   6.453   2.312  -5.132
  585   1HZ   LYS  87          2HZ       LYS  87   8.888   1.622  -3.621
  586   2HZ   LYS  87          3HZ       LYS  87   7.666   0.582  -3.974
  587   3HZ   LYS  87          1HZ       LYS  87   8.587   1.222  -5.184
  588    H    ALA  88           H        ALA  88   2.925   5.780  -6.154
  589    HA   ALA  88           HA       ALA  88   3.063   6.626  -8.889
  590   1HB   ALA  88          3HB       ALA  88   1.815   4.744  -8.166
  591   2HB   ALA  88          1HB       ALA  88   0.658   5.766  -7.263
  592   3HB   ALA  88          2HB       ALA  88   0.775   5.890  -9.043
  593    H    ASN  89           H        ASN  89   1.613   8.136  -5.946
  594    HA   ASN  89           HA       ASN  89   0.400  10.348  -7.361
  595   1HB   ASN  89          2HB       ASN  89   1.595  10.268  -4.568
  596   2HB   ASN  89          3HB       ASN  89   0.681  11.628  -5.225
  597   1HD2  ASN  89          1HD2      ASN  89  -2.519   9.964  -4.854
  598   2HD2  ASN  89          2HD2      ASN  89  -1.720  11.124  -5.894
  599    H    MET  90           H        MET  90   3.639   9.870  -5.884
  600    HA   MET  90           HA       MET  90   4.811  12.344  -6.562
  601   1HB   MET  90          2HB       MET  90   5.825  10.700  -5.031
  602   2HB   MET  90          3HB       MET  90   6.051   9.577  -6.366
  603   1HG   MET  90          2HG       MET  90   7.584  11.277  -7.453
  604   2HG   MET  90          3HG       MET  90   7.415  12.249  -5.987
  605   1HE   MET  90          3HE       MET  90   8.745   8.903  -7.600
  606   2HE   MET  90          1HE       MET  90   9.589   8.153  -6.219
  607   3HE   MET  90          2HE       MET  90   7.828   8.205  -6.244
  608    H    LYS  91           H        LYS  91   4.737   9.283  -8.458
  609    HA   LYS  91           HA       LYS  91   6.145  10.297 -10.717
  610   1HB   LYS  91          2HB       LYS  91   4.112   8.070 -10.432
  611   2HB   LYS  91          3HB       LYS  91   4.949   8.414 -11.946
  612   1HG   LYS  91          2HG       LYS  91   6.329   7.597  -9.348
  613   2HG   LYS  91          3HG       LYS  91   5.971   6.563 -10.732
  614   1HD   LYS  91          2HD       LYS  91   7.407   8.219 -12.116
  615   2HD   LYS  91          3HD       LYS  91   7.922   8.895 -10.544
  616   1HE   LYS  91          2HE       LYS  91   8.678   6.649  -9.824
  617   2HE   LYS  91          3HE       LYS  91   8.172   5.981 -11.395
  618   1HZ   LYS  91          3HZ       LYS  91   9.761   7.413 -12.446
  619   2HZ   LYS  91          1HZ       LYS  91  10.238   8.027 -10.991
  620   3HZ   LYS  91          2HZ       LYS  91  10.497   6.438 -11.341
  621    H    LYS  92           H        LYS  92   2.577  10.167 -10.112
  622    HA   LYS  92           HA       LYS  92   1.829  11.342 -12.579
  623   1HB   LYS  92          2HB       LYS  92   0.562  11.354  -9.813
  624   2HB   LYS  92          3HB       LYS  92  -0.086  12.349 -11.121
  625   1HG   LYS  92          2HG       LYS  92  -0.285  10.363 -12.568
  626   2HG   LYS  92          3HG       LYS  92   0.355   9.334 -11.266
  627   1HD   LYS  92          2HD       LYS  92  -2.015   9.030 -11.285
  628   2HD   LYS  92          3HD       LYS  92  -1.701  10.087  -9.909
  629   1HE   LYS  92          2HE       LYS  92  -3.575  11.005 -11.094
  630   2HE   LYS  92          3HE       LYS  92  -2.184  12.058 -11.426
  631   1HZ   LYS  92          3HZ       LYS  92  -3.141   9.967 -13.238
  632   2HZ   LYS  92          1HZ       LYS  92  -3.484  11.572 -13.375
  633   3HZ   LYS  92          2HZ       LYS  92  -1.935  11.047 -13.533
  634    H    HIS  93           H        HIS  93   2.675  12.982  -9.476
  635    HA   HIS  93           HA       HIS  93   2.453  15.638 -10.493
  636   1HB   HIS  93          2HB       HIS  93   2.690  15.484  -8.179
  637   2HB   HIS  93          3HB       HIS  93   4.064  14.381  -8.267
  638    HD1  HIS  93           HD1      HIS  93   3.352  18.165  -8.775
  639    HD2  HIS  93           HD2      HIS  93   6.502  15.373  -8.563
  640    HE1  HIS  93           HE1      HIS  93   5.517  19.493  -8.840
  641    H    PHE  94           H        PHE  94   5.349  13.521 -10.301
  642    HA   PHE  94           HA       PHE  94   7.169  15.273 -11.469
  643   1HB   PHE  94          2HB       PHE  94   7.479  12.942 -10.346
  644   2HB   PHE  94          3HB       PHE  94   7.274  12.278 -11.960
  645    HD1  PHE  94           HD2      PHE  94   8.931  13.138 -13.808
  646    HD2  PHE  94           HD1      PHE  94   9.535  13.796  -9.582
  647    HE1  PHE  94           HE2      PHE  94  11.300  13.719 -14.226
  648    HE2  PHE  94           HE1      PHE  94  11.912  14.359 -10.016
  649    HZ   PHE  94           HZ       PHE  94  12.790  14.340 -12.333
  650    H    ASN  95           H        ASN  95   4.970  12.979 -13.017
  651    HA   ASN  95           HA       ASN  95   5.835  13.325 -15.702
  652   1HB   ASN  95          2HB       ASN  95   3.326  12.294 -14.383
  653   2HB   ASN  95          3HB       ASN  95   3.297  12.646 -16.107
  654   1HD2  ASN  95          1HD2      ASN  95   5.287   9.350 -14.760
  655   2HD2  ASN  95          2HD2      ASN  95   4.602  10.522 -13.632
  656    H    ARG  96           H        ARG  96   3.011  14.666 -14.007
  657    HA   ARG  96           HA       ARG  96   2.125  16.467 -15.928
  658   1HB   ARG  96          2HB       ARG  96   0.819  15.714 -14.097
  659   2HB   ARG  96          3HB       ARG  96   1.919  16.412 -12.908
  660   1HG   ARG  96          2HG       ARG  96   1.197  18.639 -13.394
  661   2HG   ARG  96          3HG       ARG  96   0.425  18.149 -14.903
  662   1HD   ARG  96          2HD       ARG  96  -1.149  18.587 -12.921
  663   2HD   ARG  96          3HD       ARG  96  -1.362  17.093 -13.825
  664    HE   ARG  96           HE       ARG  96   0.349  16.809 -11.483
  665   1HH1  ARG  96          2HH1      ARG  96  -3.010  16.769 -12.639
  666   2HH1  ARG  96          1HH1      ARG  96  -3.573  15.758 -11.332
  667   1HH2  ARG  96          2HH2      ARG  96  -0.426  15.537  -9.775
  668   2HH2  ARG  96          1HH2      ARG  96  -2.120  15.097  -9.668
  669    H    PHE  97           H        PHE  97   4.520  17.088 -13.347
  670    HA   PHE  97           HA       PHE  97   4.768  19.919 -14.141
  671   1HB   PHE  97          2HB       PHE  97   5.827  18.286 -11.825
  672   2HB   PHE  97          3HB       PHE  97   6.364  19.917 -12.173
  673    HD1  PHE  97           HD2      PHE  97   3.037  18.148 -11.858
  674    HD2  PHE  97           HD1      PHE  97   5.417  21.632 -10.950
  675    HE1  PHE  97           HE2      PHE  97   1.093  19.208 -10.784
  676    HE2  PHE  97           HE1      PHE  97   3.546  22.546  -9.618
  677    HZ   PHE  97           HZ       PHE  97   1.400  21.308  -9.473
  678    H    HIS  98           H        HIS  98   6.691  16.949 -14.593
  679    HA   HIS  98           HA       HIS  98   8.901  18.692 -15.654
  680   1HB   HIS  98          2HB       HIS  98   9.302  16.101 -14.160
  681   2HB   HIS  98          3HB       HIS  98  10.517  17.256 -14.696
  682    HD1  HIS  98           HD1      HIS  98   9.127  19.911 -13.535
  683    HD2  HIS  98           HD2      HIS  98   9.307  16.208 -11.578
  684    HE1  HIS  98           HE1      HIS  98   8.752  20.378 -11.055
  685    H    ASN  99           H        ASN  99   7.432  15.382 -15.890
  686    HA   ASN  99           HA       ASN  99   9.173  14.835 -18.134
  687   1HB   ASN  99          2HB       ASN  99   8.021  13.135 -16.562
  688   2HB   ASN  99          3HB       ASN  99   6.656  13.253 -17.700
  689   1HD2  ASN  99          1HD2      ASN  99   9.059  12.008 -20.383
  690   2HD2  ASN  99          2HD2      ASN  99   8.314  13.581 -20.183
  691    H    ILE 100           H        ILE 100   5.635  15.656 -18.002
  692    HA   ILE 100           HA       ILE 100   5.552  15.692 -20.945
  693    HB   ILE 100           HB       ILE 100   3.294  16.180 -20.830
  694   1HG1  ILE 100          2HG1      ILE 100   3.589  16.923 -17.898
  695   2HG1  ILE 100          3HG1      ILE 100   3.195  17.996 -19.242
  696   1HG2  ILE 100          2HG2      ILE 100   4.079  13.884 -20.150
  697   2HG2  ILE 100          3HG2      ILE 100   3.780  14.335 -18.460
  698   3HG2  ILE 100          1HG2      ILE 100   2.445  14.292 -19.626
  699   1HD1  ILE 100          3HD1      ILE 100   1.104  16.711 -19.656
  700   2HD1  ILE 100          1HD1      ILE 100   1.433  15.762 -18.185
  701   3HD1  ILE 100          2HD1      ILE 100   1.170  17.509 -18.074
  702    H    LYS 101           H        LYS 101   5.853  17.978 -18.284
  703    HA   LYS 101           HA       LYS 101   5.437  20.390 -19.640
  704   1HB   LYS 101          2HB       LYS 101   5.637  20.082 -17.176
  705   2HB   LYS 101          3HB       LYS 101   7.358  19.725 -17.368
  706   1HG   LYS 101          2HG       LYS 101   7.006  21.980 -16.547
  707   2HG   LYS 101          3HG       LYS 101   7.788  22.017 -18.132
  708   1HD   LYS 101          2HD       LYS 101   5.647  22.613 -19.214
  709   2HD   LYS 101          3HD       LYS 101   4.781  22.373 -17.683
  710   1HE   LYS 101          2HE       LYS 101   5.121  24.757 -18.107
  711   2HE   LYS 101          3HE       LYS 101   6.037  24.263 -16.673
  712   1HZ   LYS 101          2HZ       LYS 101   7.142  24.589 -19.380
  713   2HZ   LYS 101          3HZ       LYS 101   7.303  25.665 -18.142
  714   3HZ   LYS 101          1HZ       LYS 101   7.997  24.175 -18.035
  715   1H5*    T   1          1H5*        T   1  -5.049  24.207 -16.092
  716   2H5*    T   1          2H5*        T   1  -3.490  23.404 -16.400
  717    H4*    T   1           H4*        T   1  -3.998  24.019 -13.946
  718    H3*    T   1           H3*        T   1  -2.929  21.485 -14.962
  719   1H2*    T   1          1H2*        T   1  -4.533  20.229 -13.885
  720   2H2*    T   1          2H2*        T   1  -3.605  20.555 -12.399
  721    H1*    T   1           H1*        T   1  -4.902  22.558 -11.950
  722    H3     T   1           H3         T   1  -8.261  20.458  -9.665
  723   1H5M    T   1          1H5M        T   1  -9.978  18.529 -13.538
  724   2H5M    T   1          2H5M        T   1  -9.835  19.994 -14.527
  725   3H5M    T   1          3H5M        T   1  -8.640  18.683 -14.687
  726    H6     T   1           H6         T   1  -6.977  20.533 -14.290
  727    H5T    T   1           H5T        T   1  -5.896  22.043 -15.832
  728   1H5*    T   2          1H5*        T   2  -2.226  22.441 -10.591
  729   2H5*    T   2          2H5*        T   2  -0.579  22.076 -10.078
  730    H4*    T   2           H4*        T   2  -2.045  21.239  -8.403
  731    H3*    T   2           H3*        T   2  -1.109  18.936 -10.160
  732   1H2*    T   2          1H2*        T   2  -2.628  17.599  -9.163
  733   2H2*    T   2          2H2*        T   2  -2.327  18.270  -7.526
  734    H1*    T   2           H1*        T   2  -3.899  19.861  -7.718
  735    H3     T   2           H3         T   2  -7.759  17.491  -7.950
  736   1H5M    T   2          1H5M        T   2  -7.390  17.151 -12.610
  737   2H5M    T   2          2H5M        T   2  -5.856  17.960 -12.977
  738   3H5M    T   2          3H5M        T   2  -5.874  16.248 -12.485
  739    H6     T   2           H6         T   2  -4.310  18.495 -11.138
  740   1H5*    G   3          1H5*        G   3  -0.227  19.355  -5.474
  741   2H5*    G   3          2H5*        G   3   1.203  18.408  -5.028
  742    H4*    G   3           H4*        G   3  -0.699  18.350  -3.394
  743    H3*    G   3           H3*        G   3   0.972  16.298  -3.770
  744   1H2*    G   3          1H2*        G   3  -0.273  15.379  -5.665
  745   2H2*    G   3          2H2*        G   3  -0.855  14.336  -4.358
  746    H1*    G   3           H1*        G   3  -2.738  15.737  -3.908
  747    H8     G   3           H8         G   3  -1.450  15.430  -7.554
  748    H1     G   3           H1         G   3  -7.785  14.689  -6.788
  749   1H2     G   3           H21        G   3  -8.258  14.946  -4.530
  750   2H2     G   3           H22        G   3  -6.990  15.448  -3.435
  751   1H5*    G   4          1H5*        G   4  -2.467  16.153  -0.596
  752   2H5*    G   4          2H5*        G   4  -1.916  15.242   0.825
  753    H4*    G   4           H4*        G   4  -4.373  15.187   0.566
  754    H3*    G   4           H3*        G   4  -2.757  12.975   1.096
  755   1H2*    G   4          1H2*        G   4  -2.831  12.114  -1.118
  756   2H2*    G   4          2H2*        G   4  -4.250  11.261  -0.459
  757    H1*    G   4           H1*        G   4  -5.748  12.970  -1.238
  758    H8     G   4           H8         G   4  -2.479  13.122  -3.382
  759    H1     G   4           H1         G   4  -7.740  11.272  -6.567
  760   1H2     G   4           H21        G   4  -9.389  10.816  -4.990
  761   2H2     G   4           H22        G   4  -9.160  11.336  -3.331
  762   1H5*    A   5          1H5*        A   5  -7.308  11.819   0.845
  763   2H5*    A   5          2H5*        A   5  -7.685  10.653   2.131
  764    H4*    A   5           H4*        A   5  -8.647   9.884   0.042
  765    H3*    A   5           H3*        A   5  -6.675   8.280   1.473
  766   1H2*    A   5          1H2*        A   5  -5.254   8.236  -0.389
  767   2H2*    A   5          2H2*        A   5  -6.333   6.912  -0.914
  768    H1*    A   5           H1*        A   5  -7.803   8.494  -2.052
  769    H8     A   5           H8         A   5  -4.014   9.503  -2.072
  770   1H6     A   5           H61        A   5  -4.494   8.923  -8.212
  771   2H6     A   5           H62        A   5  -3.404   9.256  -6.866
  772    H2     A   5           H2         A   5  -8.421   7.843  -6.429
  773   1H5*    T   6          1H5*        T   6 -10.789   6.386  -0.256
  774   2H5*    T   6          2H5*        T   6 -11.083   4.912   0.695
  775    H4*    T   6           H4*        T   6 -11.949   4.736  -1.665
  776    H3*    T   6           H3*        T   6 -10.107   2.859  -0.399
  777   1H2*    T   6          1H2*        T   6  -8.557   2.817  -2.027
  778   2H2*    T   6          2H2*        T   6  -9.746   2.056  -3.096
  779    H1*    T   6           H1*        T   6 -10.426   4.019  -4.090
  780    H3     T   6           H3         T   6  -6.854   5.122  -6.764
  781   1H5M    T   6          1H5M        T   6  -4.651   6.427  -2.497
  782   2H5M    T   6          2H5M        T   6  -5.050   4.910  -1.650
  783   3H5M    T   6          3H5M        T   6  -3.996   4.903  -3.079
  784    H6     T   6           H6         T   6  -7.420   4.732  -2.006
  785   1H5*    G   7          1H5*        G   7 -12.619   1.276  -3.935
  786   2H5*    G   7          2H5*        G   7 -13.020  -0.444  -3.818
  787    H4*    G   7           H4*        G   7 -12.239   0.228  -6.058
  788    H3*    G   7           H3*        G   7 -11.140  -2.066  -4.693
  789   1H2*    G   7          1H2*        G   7  -9.103  -1.009  -4.373
  790   2H2*    G   7          2H2*        G   7  -8.784  -1.771  -5.947
  791    H1*    G   7           H1*        G   7  -9.560   0.258  -7.121
  792    H8     G   7           H8         G   7  -7.952   0.928  -3.614
  793    H1     G   7           H1         G   7  -4.305   2.597  -8.585
  794   1H2     G   7           H21        G   7  -5.307   1.950 -10.532
  795   2H2     G   7           H22        G   7  -6.924   1.256 -10.484
  796   1H5*    G   8          1H5*        G   8 -10.573  -0.965  -9.322
  797   2H5*    G   8          2H5*        G   8 -11.001  -2.481 -10.139
  798    H4*    G   8           H4*        G   8  -9.440  -1.231 -11.514
  799    H3*    G   8           H3*        G   8  -9.113  -3.929 -10.861
  800   1H2*    G   8          1H2*        G   8  -7.513  -3.466  -9.146
  801   2H2*    G   8          2H2*        G   8  -6.398  -3.761 -10.477
  802    H1*    G   8           H1*        G   8  -6.334  -1.428 -11.094
  803    H8     G   8           H8         G   8  -7.128  -1.905  -7.328
  804    H1     G   8           H1         G   8  -1.052  -0.221  -8.616
  805   1H2     G   8           H21        G   8  -0.810  -0.150 -10.943
  806   2H2     G   8           H22        G   8  -2.201  -0.514 -11.953
  807   1H5*    G   9          1H5*        G   9  -5.509  -1.915 -13.383
  808   2H5*    G   9          2H5*        G   9  -5.605  -2.910 -14.844
  809    H4*    G   9           H4*        G   9  -3.348  -2.307 -14.672
  810    H3*    G   9           H3*        G   9  -4.113  -5.042 -14.563
  811   1H2*    G   9          1H2*        G   9  -3.514  -5.188 -12.264
  812   2H2*    G   9          2H2*        G   9  -1.991  -5.713 -13.017
  813    H1*    G   9           H1*        G   9  -1.175  -3.425 -12.961
  814    H8     G   9           H8         G   9  -3.623  -4.060  -9.921
  815    H1     G   9           H1         G   9   2.408  -2.504  -8.386
  816   1H2     G   9           H21        G   9   3.630  -2.256 -10.341
  817   2H2     G   9           H22        G   9   2.818  -2.415 -11.885
  818   1H5*    A  10          1H5*        A  10   0.447  -3.796 -15.515
  819   2H5*    A  10          2H5*        A  10   0.941  -4.923 -16.797
  820    H4*    A  10           H4*        A  10   2.854  -4.372 -15.409
  821    H3*    A  10           H3*        A  10   1.874  -7.141 -15.668
  822   1H2*    A  10          1H2*        A  10   1.925  -7.495 -13.408
  823   2H2*    A  10          2H2*        A  10   3.695  -7.582 -13.573
  824    H1*    A  10           H1*        A  10   3.937  -5.224 -13.099
  825    H8     A  10           H8         A  10   0.494  -6.302 -11.650
  826   1H6     A  10           H61        A  10   2.905  -5.181  -6.118
  827   2H6     A  10           H62        A  10   1.492  -5.618  -7.050
  828    H2     A  10           H2         A  10   6.130  -4.496  -9.169
  829   1H5*    G  11          1H5*        G  11   6.267  -5.908 -15.135
  830   2H5*    G  11          2H5*        G  11   7.401  -6.973 -15.986
  831    H4*    G  11           H4*        G  11   8.234  -6.188 -13.789
  832    H3*    G  11           H3*        G  11   8.285  -8.923 -14.656
  833   1H2*    G  11          1H2*        G  11   6.715  -9.560 -12.992
  834   2H2*    G  11          2H2*        G  11   8.203  -9.748 -12.025
  835    H1*    G  11           H1*        G  11   8.039  -7.412 -11.264
  836    H8     G  11           H8         G  11   4.556  -9.081 -11.940
  837    H1     G  11           H1         G  11   5.725  -7.583  -5.799
  838   1H2     G  11           H21        G  11   7.925  -6.859  -5.649
  839   2H2     G  11           H22        G  11   8.836  -6.536  -7.109
  840   1H5*    A  12          1H5*        A  12  11.386  -6.818 -11.708
  841   2H5*    A  12          2H5*        A  12  12.964  -7.515 -12.120
  842    H4*    A  12           H4*        A  12  12.896  -6.647  -9.818
  843    H3*    A  12           H3*        A  12  13.976  -9.109 -10.521
  844   1H2*    A  12          1H2*        A  12  12.064 -10.369  -9.875
  845   2H2*    A  12          2H2*        A  12  12.993 -10.450  -8.367
  846    H1*    A  12           H1*        A  12  11.817  -8.572  -7.428
  847    H8     A  12           H8         A  12   9.658 -10.162 -10.278
  848   1H6     A  12           H61        A  12   5.379 -11.040  -5.959
  849   2H6     A  12           H62        A  12   5.852 -11.234  -7.650
  850    H2     A  12           H2         A  12   9.009  -9.353  -3.946
  851   1H5*    C  13          1H5*        C  13  14.145  -7.712  -5.966
  852   2H5*    C  13          2H5*        C  13  15.769  -8.075  -5.345
  853    H4*    C  13           H4*        C  13  14.033  -8.334  -3.610
  854    H3*    C  13           H3*        C  13  15.994 -10.331  -4.257
  855   1H2*    C  13          1H2*        C  13  14.430 -11.894  -4.960
  856   2H2*    C  13          2H2*        C  13  14.288 -12.246  -3.223
  857    H1*    C  13           H1*        C  13  12.472 -10.668  -2.960
  858   1H4     C  13           H41        C  13   8.818 -13.713  -7.716
  859   2H4     C  13           H42        C  13   7.934 -13.816  -6.206
  860    H5     C  13           H5         C  13  11.101 -12.764  -7.830
  861    H6     C  13           H6         C  13  12.815 -11.647  -6.542
  862   1H5*    C  14          1H5*        C  14  13.614 -10.844  -0.303
  863   2H5*    C  14          2H5*        C  14  14.605 -11.523   1.007
  864    H4*    C  14           H4*        C  14  12.376 -12.615   0.792
  865    H3*    C  14           H3*        C  14  14.875 -14.230   0.422
  866   1H2*    C  14          1H2*        C  14  13.802 -15.663  -0.948
  867   2H2*    C  14          2H2*        C  14  12.620 -16.037   0.338
  868    H1*    C  14           H1*        C  14  11.127 -14.353  -0.318
  869   1H4     C  14           H41        C  14  11.071 -15.920  -6.799
  870   2H4     C  14           H42        C  14   9.500 -16.306  -6.116
  871    H5     C  14           H5         C  14  12.916 -15.052  -5.395
  872    H6     C  14           H6         C  14  13.488 -14.371  -3.108
  873   1H5*    G  15          1H5*        G  15  11.371 -15.924   2.869
  874   2H5*    G  15          2H5*        G  15  11.916 -16.987   4.183
  875    H4*    G  15           H4*        G  15  10.082 -18.007   2.894
  876    H3*    G  15           H3*        G  15  12.700 -19.343   3.157
  877   1H2*    G  15          1H2*        G  15  12.815 -19.778   0.897
  878   2H2*    G  15          2H2*        G  15  11.582 -21.031   1.222
  879    H1*    G  15           H1*        G  15   9.782 -19.477   0.761
  880    H8     G  15           H8         G  15  13.083 -18.542  -1.126
  881    H1     G  15           H1         G  15   8.016 -19.646  -4.917
  882   1H2     G  15           H21        G  15   6.242 -20.318  -3.594
  883   2H2     G  15           H22        G  15   6.415 -20.370  -1.852
  884    H3T    G  15           H3T        G  15  11.296 -21.043   3.645
  885   1H5*    C  16          1H5*        C  16   3.251 -24.558  -9.874
  886   2H5*    C  16          2H5*        C  16   1.583 -23.947  -9.992
  887    H4*    C  16           H4*        C  16   2.733 -23.765  -7.677
  888    H3*    C  16           H3*        C  16   1.242 -21.636  -9.098
  889   1H2*    C  16          1H2*        C  16   2.733 -20.012  -8.530
  890   2H2*    C  16          2H2*        C  16   2.234 -20.225  -6.830
  891    H1*    C  16           H1*        C  16   3.917 -21.880  -6.437
  892   1H4     C  16           H41        C  16   9.063 -18.256  -8.666
  893   2H4     C  16           H42        C  16   9.286 -18.524  -6.945
  894    H5     C  16           H5         C  16   7.059 -19.031  -9.857
  895    H6     C  16           H6         C  16   4.987 -20.239  -9.617
  896    H5T    C  16           H5T        C  16   3.871 -22.367 -10.455
  897   1H5*    G  17          1H5*        G  17   0.896 -21.898  -4.438
  898   2H5*    G  17          2H5*        G  17  -0.671 -21.303  -3.854
  899    H4*    G  17           H4*        G  17   1.279 -20.397  -2.614
  900    H3*    G  17           H3*        G  17  -0.701 -18.597  -3.901
  901   1H2*    G  17          1H2*        G  17   0.942 -17.151  -4.653
  902   2H2*    G  17          2H2*        G  17   1.226 -16.744  -2.952
  903    H1*    G  17           H1*        G  17   2.899 -18.353  -2.710
  904    H8     G  17           H8         G  17   2.697 -17.751  -6.571
  905    H1     G  17           H1         G  17   8.307 -16.375  -3.764
  906   1H2     G  17           H21        G  17   8.067 -16.679  -1.467
  907   2H2     G  17           H22        G  17   6.527 -17.194  -0.814
  908   1H5*    G  18          1H5*        G  18   1.496 -18.256   0.267
  909   2H5*    G  18          2H5*        G  18   0.432 -17.469   1.449
  910    H4*    G  18           H4*        G  18   2.777 -16.939   1.885
  911    H3*    G  18           H3*        G  18   0.735 -14.963   1.624
  912   1H2*    G  18          1H2*        G  18   1.609 -14.108  -0.363
  913   2H2*    G  18          2H2*        G  18   2.582 -13.120   0.753
  914    H1*    G  18           H1*        G  18   4.409 -14.741   0.697
  915    H8     G  18           H8         G  18   2.196 -14.852  -2.517
  916    H1     G  18           H1         G  18   8.260 -13.102  -3.622
  917   1H2     G  18           H21        G  18   9.289 -12.715  -1.597
  918   2H2     G  18           H22        G  18   8.525 -13.239  -0.104
  919   1H5*    T  19          1H5*        T  19   4.944 -13.793   3.150
  920   2H5*    T  19          2H5*        T  19   4.871 -12.630   4.490
  921    H4*    T  19           H4*        T  19   6.691 -12.120   2.894
  922    H3*    T  19           H3*        T  19   4.586 -10.186   3.588
  923   1H2*    T  19          1H2*        T  19   4.162  -9.728   1.388
  924   2H2*    T  19          2H2*        T  19   5.654  -8.779   1.424
  925    H1*    T  19           H1*        T  19   6.993 -10.700   0.732
  926    H3     T  19           H3         T  19   6.440 -10.363  -3.824
  927   1H5M    T  19          1H5M        T  19   2.004 -11.790  -3.474
  928   2H5M    T  19          2H5M        T  19   1.739 -11.973  -1.730
  929   3H5M    T  19          3H5M        T  19   1.595 -10.366  -2.479
  930    H6     T  19           H6         T  19   3.454 -11.199  -0.161
  931   1H5*    C  20          1H5*        C  20   8.776  -8.932   2.289
  932   2H5*    C  20          2H5*        C  20   9.374  -7.386   2.929
  933    H4*    C  20           H4*        C  20   9.679  -7.686   0.447
  934    H3*    C  20           H3*        C  20   7.967  -5.427   1.483
  935   1H2*    C  20          1H2*        C  20   7.075  -5.094  -0.546
  936   2H2*    C  20          2H2*        C  20   8.653  -5.198  -1.379
  937    H1*    C  20           H1*        C  20   8.563  -7.458  -1.694
  938   1H4     C  20           H41        C  20   2.214  -7.858  -3.744
  939   2H4     C  20           H42        C  20   3.261  -7.917  -5.154
  940    H5     C  20           H5         C  20   3.143  -7.593  -1.454
  941    H6     C  20           H6         C  20   5.178  -7.271  -0.197
  942   1H5*    T  21          1H5*        T  21  11.406  -4.687  -1.517
  943   2H5*    T  21          2H5*        T  21  12.099  -3.059  -1.359
  944    H4*    T  21           H4*        T  21  11.645  -3.695  -3.729
  945    H3*    T  21           H3*        T  21  10.598  -1.274  -2.454
  946   1H2*    T  21          1H2*        T  21   8.462  -1.604  -3.151
  947   2H2*    T  21          2H2*        T  21   9.018  -1.208  -4.793
  948    H1*    T  21           H1*        T  21   9.463  -3.475  -5.350
  949    H3     T  21           H3         T  21   5.166  -4.650  -6.455
  950   1H5M    T  21          1H5M        T  21   3.627  -4.027  -2.137
  951   2H5M    T  21          2H5M        T  21   5.007  -4.587  -1.200
  952   3H5M    T  21          3H5M        T  21   4.817  -2.854  -1.528
  953    H6     T  21           H6         T  21   7.284  -3.393  -2.322
  954   1H5*    C  22          1H5*        C  22  11.234  -1.182  -7.112
  955   2H5*    C  22          2H5*        C  22  11.548   0.467  -7.696
  956    H4*    C  22           H4*        C  22   9.784  -0.653  -9.014
  957    H3*    C  22           H3*        C  22   8.951   1.696  -7.305
  958   1H2*    C  22          1H2*        C  22   6.821   1.135  -7.482
  959   2H2*    C  22          2H2*        C  22   6.893   0.860  -9.241
  960    H1*    C  22           H1*        C  22   7.461  -1.389  -9.076
  961   1H4     C  22           H41        C  22   2.486  -1.609  -4.631
  962   2H4     C  22           H42        C  22   1.872  -2.348  -6.090
  963    H5     C  22           H5         C  22   4.822  -1.028  -4.324
  964    H6     C  22           H6         C  22   6.903  -0.652  -5.504
  965   1H5*    C  23          1H5*        C  23   7.328   1.780 -11.523
  966   2H5*    C  23          2H5*        C  23   6.940   3.438 -12.041
  967    H4*    C  23           H4*        C  23   5.119   1.790 -12.342
  968    H3*    C  23           H3*        C  23   4.631   4.164 -10.542
  969   1H2*    C  23          1H2*        C  23   2.575   3.335 -10.083
  970   2H2*    C  23          2H2*        C  23   2.326   2.679 -11.749
  971    H1*    C  23           H1*        C  23   3.192   0.667 -11.291
  972   1H4     C  23           H41        C  23   0.869   0.219  -5.017
  973   2H4     C  23           H42        C  23  -0.426  -0.241  -6.102
  974    H5     C  23           H5         C  23   2.856   1.492  -5.929
  975    H6     C  23           H6         C  23   4.070   1.980  -7.988
  976   1H5*    C  24          1H5*        C  24   2.262   2.917 -14.187
  977   2H5*    C  24          2H5*        C  24   2.010   4.332 -15.225
  978    H4*    C  24           H4*        C  24   0.131   2.780 -15.398
  979    H3*    C  24           H3*        C  24  -0.116   5.535 -15.013
  980   1H2*    C  24          1H2*        C  24  -0.602   5.332 -12.679
  981   2H2*    C  24          2H2*        C  24  -2.244   5.357 -13.336
  982    H1*    C  24           H1*        C  24  -2.341   2.927 -13.405
  983   1H4     C  24           H41        C  24  -0.780   2.473  -6.896
  984   2H4     C  24           H42        C  24  -2.516   2.385  -6.959
  985    H5     C  24           H5         C  24   0.544   3.164  -8.807
  986    H6     C  24           H6         C  24   0.493   3.671 -11.174
  987   1H5*    A  25          1H5*        A  25  -3.961   2.842 -15.883
  988   2H5*    A  25          2H5*        A  25  -4.669   3.625 -17.310
  989    H4*    A  25           H4*        A  25  -6.377   2.456 -16.020
  990    H3*    A  25           H3*        A  25  -6.647   5.050 -16.963
  991   1H2*    A  25          1H2*        A  25  -6.124   6.114 -14.928
  992   2H2*    A  25          2H2*        A  25  -7.876   6.021 -14.717
  993    H1*    A  25           H1*        A  25  -7.733   4.023 -13.409
  994    H8     A  25           H8         A  25  -4.336   5.922 -13.448
  995   1H6     A  25           H61        A  25  -4.606   5.903  -7.323
  996   2H6     A  25           H62        A  25  -3.690   6.290  -8.773
  997    H2     A  25           H2         A  25  -8.461   4.156  -8.868
  998   1H5*    T  26          1H5*        T  26 -10.083   3.709 -14.351
  999   2H5*    T  26          2H5*        T  26 -11.691   4.268 -14.856
 1000    H4*    T  26           H4*        T  26 -11.264   4.671 -12.468
 1001    H3*    T  26           H3*        T  26 -11.667   7.036 -14.291
 1002   1H2*    T  26          1H2*        T  26 -10.489   8.369 -12.905
 1003   2H2*    T  26          2H2*        T  26 -11.588   7.979 -11.560
 1004    H1*    T  26           H1*        T  26 -10.313   6.137 -10.853
 1005    H3     T  26           H3         T  26  -7.011   8.258  -8.553
 1006   1H5M    T  26          1H5M        T  26  -5.661  10.034 -12.958
 1007   2H5M    T  26          2H5M        T  26  -4.585   8.691 -12.518
 1008   3H5M    T  26          3H5M        T  26  -5.773   8.482 -13.823
 1009    H6     T  26           H6         T  26  -7.998   7.800 -13.228
 1010   1H5*    C  27          1H5*        C  27 -13.592   6.067 -10.379
 1011   2H5*    C  27          2H5*        C  27 -15.233   6.680 -10.081
 1012    H4*    C  27           H4*        C  27 -13.691   6.883  -8.113
 1013    H3*    C  27           H3*        C  27 -15.177   9.142  -9.298
 1014   1H2*    C  27          1H2*        C  27 -13.382  10.550  -9.212
 1015   2H2*    C  27          2H2*        C  27 -13.563  10.534  -7.438
 1016    H1*    C  27           H1*        C  27 -12.057   8.692  -7.194
 1017   1H4     C  27           H41        C  27  -7.139  11.836 -10.500
 1018   2H4     C  27           H42        C  27  -6.671  11.722  -8.821
 1019    H5     C  27           H5         C  27  -9.335  11.026 -11.312
 1020    H6     C  27           H6         C  27 -11.420  10.014 -10.632
 1021   1H5*    C  28          1H5*        C  28 -14.366   9.403  -4.696
 1022   2H5*    C  28          2H5*        C  28 -15.713  10.245  -3.896
 1023    H4*    C  28           H4*        C  28 -13.564  11.250  -3.255
 1024    H3*    C  28           H3*        C  28 -15.375  12.919  -5.018
 1025   1H2*    C  28          1H2*        C  28 -13.713  14.336  -5.505
 1026   2H2*    C  28          2H2*        C  28 -13.131  14.409  -3.813
 1027    H1*    C  28           H1*        C  28 -11.664  12.715  -4.034
 1028   1H4     C  28           H41        C  28  -9.556  14.069 -10.245
 1029   2H4     C  28           H42        C  28  -8.245  14.453  -9.156
 1030    H5     C  28           H5         C  28 -11.751  13.286  -9.454
 1031    H6     C  28           H6         C  28 -13.057  12.777  -7.470
 1032   1H5*    A  29          1H5*        A  29 -13.631  14.247  -1.052
 1033   2H5*    A  29          2H5*        A  29 -14.736  15.278  -0.122
 1034    H4*    A  29           H4*        A  29 -12.344  15.958   0.031
 1035    H3*    A  29           H3*        A  29 -14.510  17.696  -0.306
 1036   1H2*    A  29          1H2*        A  29 -14.171  18.087  -2.572
 1037   2H2*    A  29          2H2*        A  29 -13.117  19.384  -1.972
 1038    H1*    A  29           H1*        A  29 -11.154  18.031  -2.136
 1039    H8     A  29           H8         A  29 -14.072  17.101  -4.557
 1040   1H6     A  29           H61        A  29  -9.809  16.888  -9.009
 1041   2H6     A  29           H62        A  29 -11.510  16.742  -8.581
 1042    H2     A  29           H2         A  29  -7.740  17.940  -5.167
 1043   1H5*    A  30          1H5*        A  30 -10.165  19.612   0.571
 1044   2H5*    A  30          2H5*        A  30 -10.357  21.189   1.367
 1045    H4*    A  30           H4*        A  30  -8.608  21.300  -0.357
 1046    H3*    A  30           H3*        A  30 -11.175  22.740  -1.193
 1047   1H2*    A  30          1H2*        A  30 -10.053  23.396  -3.126
 1048   2H2*    A  30          2H2*        A  30  -8.451  23.282  -2.350
 1049    H1*    A  30           H1*        A  30  -8.184  21.151  -3.021
 1050    H8     A  30           H8         A  30 -12.027  20.856  -3.521
 1051   1H6     A  30           H61        A  30 -10.682  19.835  -9.457
 1052   2H6     A  30           H62        A  30 -11.938  19.935  -8.224
 1053    H2     A  30           H2         A  30  -6.894  21.007  -7.371
 1054    H3T    A  30           H3T        A  30 -10.110  23.582   0.648
   
  No H/Q in entry =        1054
  Start of MODEL    5
    1    H    MET   1           H        MET   1   2.164 -22.901 -10.299
    2    HA   MET   1           HA       MET   1   0.878 -23.671 -12.877
    3   1HB   MET   1          2HB       MET   1  -0.564 -23.347 -10.214
    4   2HB   MET   1          3HB       MET   1  -1.350 -23.591 -11.787
    5   1HG   MET   1          2HG       MET   1  -0.134 -25.760 -12.017
    6   2HG   MET   1          3HG       MET   1   0.510 -25.556 -10.385
    7   1HE   MET   1          1HE       MET   1  -0.975 -25.555  -8.199
    8   2HE   MET   1          2HE       MET   1  -2.124 -24.349  -8.838
    9   3HE   MET   1          3HE       MET   1  -2.723 -25.888  -8.189
   10    H    LYS  11           H        LYS  11   2.492 -21.630 -12.901
   11    HA   LYS  11           HA       LYS  11   1.523 -19.232 -11.835
   12   1HB   LYS  11          2HB       LYS  11   3.870 -19.898 -12.894
   13   2HB   LYS  11          3HB       LYS  11   3.212 -19.053 -14.301
   14   1HG   LYS  11          2HG       LYS  11   2.833 -17.041 -12.901
   15   2HG   LYS  11          3HG       LYS  11   3.315 -17.944 -11.445
   16   1HD   LYS  11          2HD       LYS  11   5.595 -18.246 -12.401
   17   2HD   LYS  11          3HD       LYS  11   5.105 -17.319 -13.824
   18   1HE   LYS  11          2HE       LYS  11   6.338 -15.876 -12.299
   19   2HE   LYS  11          3HE       LYS  11   4.657 -15.331 -12.381
   20   1HZ   LYS  11          3HZ       LYS  11   5.788 -17.009 -10.240
   21   2HZ   LYS  11          1HZ       LYS  11   5.558 -15.387 -10.149
   22   3HZ   LYS  11          2HZ       LYS  11   4.260 -16.380 -10.283
   23    H    ARG  12           H        ARG  12   0.405 -17.637 -12.509
   24    HA   ARG  12           HA       ARG  12  -1.134 -16.320 -13.477
   25   1HB   ARG  12          2HB       ARG  12  -0.421 -17.767 -16.002
   26   2HB   ARG  12          3HB       ARG  12  -1.901 -16.838 -15.899
   27   1HG   ARG  12          2HG       ARG  12  -0.120 -15.513 -16.831
   28   2HG   ARG  12          3HG       ARG  12  -0.717 -14.799 -15.331
   29   1HD   ARG  12          2HD       ARG  12   1.249 -15.515 -14.120
   30   2HD   ARG  12          3HD       ARG  12   1.723 -16.596 -15.433
   31    HE   ARG  12           HE       ARG  12   2.636 -14.880 -16.622
   32   1HH1  ARG  12          1HH2      ARG  12   0.870 -13.426 -13.871
   33   2HH1  ARG  12          2HH2      ARG  12   1.540 -11.846 -14.165
   34   1HH2  ARG  12          2HH1      ARG  12   3.499 -12.818 -16.926
   35   2HH2  ARG  12          1HH1      ARG  12   3.068 -11.493 -15.878
   36    H    TYR  13           H        TYR  13  -2.337 -17.173 -11.791
   37    HA   TYR  13           HA       TYR  13  -4.147 -19.426 -12.141
   38   1HB   TYR  13          2HB       TYR  13  -4.164 -17.039 -10.238
   39   2HB   TYR  13          3HB       TYR  13  -5.202 -18.464 -10.084
   40    HD1  TYR  13           HD2      TYR  13  -2.985 -20.593 -10.609
   41    HD2  TYR  13           HD1      TYR  13  -3.295 -17.128  -8.045
   42    HE1  TYR  13           HE2      TYR  13  -1.776 -21.782  -8.844
   43    HE2  TYR  13           HE1      TYR  13  -2.014 -18.318  -6.296
   44    HH   TYR  13           HH       TYR  13  -0.699 -21.567  -6.799
   45    H    ILE  14           H        ILE  14  -6.177 -19.320 -13.014
   46    HA   ILE  14           HA       ILE  14  -6.938 -16.912 -14.446
   47    HB   ILE  14           HB       ILE  14  -8.181 -19.689 -14.488
   48   1HG1  ILE  14          2HG1      ILE  14  -7.153 -19.760 -16.819
   49   2HG1  ILE  14          3HG1      ILE  14  -6.140 -18.395 -16.360
   50   1HG2  ILE  14          1HG2      ILE  14  -8.546 -17.254 -16.280
   51   2HG2  ILE  14          2HG2      ILE  14  -9.156 -18.875 -16.667
   52   3HG2  ILE  14          3HG2      ILE  14  -9.788 -18.034 -15.273
   53   1HD1  ILE  14          2HD1      ILE  14  -6.196 -21.095 -14.935
   54   2HD1  ILE  14          3HD1      ILE  14  -5.069 -20.650 -16.237
   55   3HD1  ILE  14          1HD1      ILE  14  -5.015 -19.780 -14.714
   56    H    CYS  15           H        CYS  15  -8.889 -15.903 -14.342
   57    HA   CYS  15           HA       CYS  15 -10.215 -15.528 -11.812
   58   1HB   CYS  15          2HB       CYS  15  -9.944 -13.710 -13.289
   59   2HB   CYS  15          3HB       CYS  15 -10.575 -14.616 -14.665
   60    H    SER  16           H        SER  16 -11.833 -16.653 -10.926
   61    HA   SER  16           HA       SER  16 -12.813 -19.008 -11.585
   62   1HB   SER  16          2HB       SER  16 -14.602 -16.886 -10.351
   63   2HB   SER  16          3HB       SER  16 -14.429 -18.599  -9.914
   64    HG   SER  16           HG       SER  16 -13.266 -17.261  -8.461
   65    H    PHE  17           H        PHE  17 -14.227 -15.939 -12.705
   66    HA   PHE  17           HA       PHE  17 -16.459 -17.165 -14.108
   67   1HB   PHE  17          2HB       PHE  17 -15.315 -14.364 -14.339
   68   2HB   PHE  17          3HB       PHE  17 -16.911 -14.898 -14.838
   69    HD1  PHE  17           HD1      PHE  17 -18.588 -15.644 -13.058
   70    HD2  PHE  17           HD2      PHE  17 -14.861 -13.720 -12.047
   71    HE1  PHE  17           HE1      PHE  17 -19.390 -15.287 -10.740
   72    HE2  PHE  17           HE2      PHE  17 -15.612 -13.499  -9.705
   73    HZ   PHE  17           HZ       PHE  17 -17.899 -14.237  -9.054
   74    H    ALA  18           H        ALA  18 -14.666 -18.656 -15.040
   75    HA   ALA  18           HA       ALA  18 -12.757 -18.681 -16.634
   76   1HB   ALA  18          1HB       ALA  18 -14.255 -20.582 -16.447
   77   2HB   ALA  18          2HB       ALA  18 -15.404 -19.844 -17.582
   78   3HB   ALA  18          3HB       ALA  18 -13.791 -20.340 -18.142
   79    H    ASP  19           H        ASP  19 -15.741 -17.817 -18.416
   80    HA   ASP  19           HA       ASP  19 -14.769 -17.155 -20.866
   81   1HB   ASP  19          2HB       ASP  19 -16.941 -15.653 -19.340
   82   2HB   ASP  19          3HB       ASP  19 -16.719 -15.663 -21.094
   83    H    CYS  20           H        CYS  20 -14.615 -15.099 -18.001
   84    HA   CYS  20           HA       CYS  20 -13.943 -12.611 -19.054
   85   1HB   CYS  20          2HB       CYS  20 -14.508 -13.212 -16.696
   86   2HB   CYS  20          3HB       CYS  20 -12.905 -13.947 -16.536
   87    H    GLY  21           H        GLY  21 -11.888 -15.490 -18.599
   88   1HA   GLY  21          2HA       GLY  21  -9.807 -16.010 -19.326
   89   2HA   GLY  21          3HA       GLY  21  -9.991 -14.729 -20.530
   90    H    ALA  22           H        ALA  22 -10.105 -13.745 -17.168
   91    HA   ALA  22           HA       ALA  22  -7.543 -12.303 -17.466
   92   1HB   ALA  22          2HB       ALA  22  -9.570 -12.415 -15.184
   93   2HB   ALA  22          3HB       ALA  22  -8.139 -11.384 -15.250
   94   3HB   ALA  22          1HB       ALA  22  -9.453 -11.145 -16.424
   95    H    ALA  23           H        ALA  23  -5.610 -12.914 -16.313
   96    HA   ALA  23           HA       ALA  23  -5.831 -14.907 -14.262
   97   1HB   ALA  23          2HB       ALA  23  -5.692 -16.205 -16.466
   98   2HB   ALA  23          3HB       ALA  23  -4.072 -15.520 -16.690
   99   3HB   ALA  23          1HB       ALA  23  -4.400 -16.601 -15.316
  100    H    TYR  24           H        TYR  24  -3.861 -14.891 -12.904
  101    HA   TYR  24           HA       TYR  24  -1.821 -12.868 -13.738
  102   1HB   TYR  24          2HB       TYR  24  -3.239 -12.615 -11.068
  103   2HB   TYR  24          3HB       TYR  24  -2.032 -11.540 -11.761
  104    HD1  TYR  24           HD2      TYR  24  -5.536 -12.611 -11.834
  105    HD2  TYR  24           HD1      TYR  24  -2.676  -9.859 -13.502
  106    HE1  TYR  24           HE2      TYR  24  -7.382 -11.325 -12.852
  107    HE2  TYR  24           HE1      TYR  24  -4.537  -8.499 -14.413
  108    HH   TYR  24           HH       TYR  24  -7.925  -9.537 -14.212
  109    H    ASN  25           H        ASN  25  -2.572 -15.037 -11.002
  110    HA   ASN  25           HA       ASN  25  -1.187 -16.725 -10.219
  111   1HB   ASN  25          2HB       ASN  25   0.934 -17.109 -10.598
  112   2HB   ASN  25          3HB       ASN  25   0.787 -15.966 -11.927
  113   1HD2  ASN  25          1HD2      ASN  25   2.803 -13.465 -10.335
  114   2HD2  ASN  25          2HD2      ASN  25   1.457 -13.695 -11.459
  115    H    LYS  26           H        LYS  26  -0.522 -13.282  -9.570
  116    HA   LYS  26           HA       LYS  26   0.241 -13.867  -6.829
  117   1HB   LYS  26          2HB       LYS  26  -0.663 -11.250  -8.093
  118   2HB   LYS  26          3HB       LYS  26   0.095 -11.419  -6.528
  119   1HG   LYS  26          2HG       LYS  26   1.292 -11.888  -9.281
  120   2HG   LYS  26          3HG       LYS  26   1.669 -10.590  -8.164
  121   1HD   LYS  26          2HD       LYS  26   2.396 -13.543  -7.772
  122   2HD   LYS  26          3HD       LYS  26   3.454 -12.213  -8.246
  123   1HE   LYS  26          2HE       LYS  26   3.944 -12.473  -6.023
  124   2HE   LYS  26          3HE       LYS  26   2.876 -11.063  -6.048
  125   1HZ   LYS  26          1HZ       LYS  26   2.091 -13.825  -5.420
  126   2HZ   LYS  26          2HZ       LYS  26   2.410 -12.657  -4.317
  127   3HZ   LYS  26          3HZ       LYS  26   1.104 -12.503  -5.311
  128    H    ASN  27           H        ASN  27  -1.211 -14.617  -5.368
  129    HA   ASN  27           HA       ASN  27  -3.925 -14.891  -5.738
  130   1HB   ASN  27          2HB       ASN  27  -2.762 -16.021  -3.936
  131   2HB   ASN  27          3HB       ASN  27  -2.432 -14.483  -3.114
  132   1HD2  ASN  27          1HD2      ASN  27  -6.160 -16.203  -2.849
  133   2HD2  ASN  27          2HD2      ASN  27  -4.983 -16.836  -3.982
  134    H    TRP  28           H        TRP  28  -2.379 -12.147  -3.981
  135    HA   TRP  28           HA       TRP  28  -4.695 -10.711  -3.322
  136   1HB   TRP  28          2HB       TRP  28  -3.329  -8.824  -3.031
  137   2HB   TRP  28          3HB       TRP  28  -2.396 -10.219  -2.519
  138    HD1  TRP  28           HD1      TRP  28  -0.112 -10.612  -3.727
  139    HE1  TRP  28           HE1      TRP  28   1.278  -9.334  -5.501
  140    HE3  TRP  28           HE3      TRP  28  -3.652  -7.266  -5.316
  141    HZ2  TRP  28           HZ2      TRP  28   0.827  -7.315  -7.456
  142    HZ3  TRP  28           HZ3      TRP  28  -3.129  -5.660  -7.136
  143    HH2  TRP  28           HH2      TRP  28  -0.914  -5.681  -8.199
  144    H    LYS  29           H        LYS  29  -2.794 -10.635  -6.376
  145    HA   LYS  29           HA       LYS  29  -4.248  -8.494  -7.548
  146   1HB   LYS  29          2HB       LYS  29  -1.986  -9.169  -8.264
  147   2HB   LYS  29          3HB       LYS  29  -2.631 -10.740  -8.770
  148   1HG   LYS  29          2HG       LYS  29  -2.193  -9.476 -10.658
  149   2HG   LYS  29          3HG       LYS  29  -3.926  -9.746 -10.535
  150   1HD   LYS  29          2HD       LYS  29  -2.566  -7.145  -9.662
  151   2HD   LYS  29          3HD       LYS  29  -2.989  -7.486 -11.336
  152   1HE   LYS  29          2HE       LYS  29  -4.947  -7.125  -9.040
  153   2HE   LYS  29          3HE       LYS  29  -4.746  -6.141 -10.468
  154   1HZ   LYS  29          3HZ       LYS  29  -5.386  -8.095 -11.777
  155   2HZ   LYS  29          1HZ       LYS  29  -5.846  -8.818 -10.355
  156   3HZ   LYS  29          2HZ       LYS  29  -6.568  -7.422 -10.848
  157    H    LEU  30           H        LEU  30  -4.491 -12.080  -7.832
  158    HA   LEU  30           HA       LEU  30  -6.677 -11.944  -9.632
  159   1HB   LEU  30          2HB       LEU  30  -5.294 -13.979  -9.255
  160   2HB   LEU  30          3HB       LEU  30  -6.030 -14.146  -7.652
  161    HG   LEU  30           HG       LEU  30  -8.281 -14.371  -8.759
  162   1HD1  LEU  30          2HD1      LEU  30  -6.613 -14.440 -11.327
  163   2HD1  LEU  30          3HD1      LEU  30  -8.297 -14.895 -11.216
  164   3HD1  LEU  30          1HD1      LEU  30  -7.856 -13.216 -10.949
  165   1HD2  LEU  30          1HD2      LEU  30  -6.856 -16.327  -8.123
  166   2HD2  LEU  30          2HD2      LEU  30  -7.946 -16.654  -9.493
  167   3HD2  LEU  30          3HD2      LEU  30  -6.229 -16.341  -9.786
  168    H    GLN  31           H        GLN  31  -6.594 -11.967  -6.032
  169    HA   GLN  31           HA       GLN  31  -9.432 -12.073  -5.680
  170   1HB   GLN  31          2HB       GLN  31  -7.418 -10.641  -3.912
  171   2HB   GLN  31          3HB       GLN  31  -9.093 -11.035  -3.556
  172   1HG   GLN  31          2HG       GLN  31  -6.683 -12.739  -3.379
  173   2HG   GLN  31          3HG       GLN  31  -8.154 -12.764  -2.438
  174   1HE2  GLN  31          1HE2      GLN  31  -7.718 -15.299  -5.616
  175   2HE2  GLN  31          2HE2      GLN  31  -6.521 -14.048  -5.253
  176    H    ALA  32           H        ALA  32  -7.175  -9.313  -6.012
  177    HA   ALA  32           HA       ALA  32  -9.096  -7.253  -5.828
  178   1HB   ALA  32          1HB       ALA  32  -6.641  -6.914  -5.726
  179   2HB   ALA  32          2HB       ALA  32  -6.520  -7.368  -7.439
  180   3HB   ALA  32          3HB       ALA  32  -7.377  -5.881  -6.979
  181    H    HIS  33           H        HIS  33  -8.120  -9.283  -8.615
  182    HA   HIS  33           HA       HIS  33  -9.745  -7.788 -10.476
  183   1HB   HIS  33          2HB       HIS  33  -7.950  -9.303 -11.217
  184   2HB   HIS  33          3HB       HIS  33  -8.853 -10.679 -10.594
  185    HD1  HIS  33           HD1      HIS  33  -9.349  -7.835 -13.195
  186    HD2  HIS  33           HD2      HIS  33 -10.862 -11.576 -12.018
  187    HE1  HIS  33           HE1      HIS  33 -11.216  -8.426 -14.844
  188    H    LEU  34           H        LEU  34 -10.330 -10.910  -8.737
  189    HA   LEU  34           HA       LEU  34 -12.990 -11.360  -9.425
  190   1HB   LEU  34          2HB       LEU  34 -11.333 -12.013  -7.006
  191   2HB   LEU  34          3HB       LEU  34 -13.061 -12.233  -6.896
  192    HG   LEU  34           HG       LEU  34 -13.179 -13.758  -8.611
  193   1HD1  LEU  34          3HD1      LEU  34 -10.250 -13.324  -9.276
  194   2HD1  LEU  34          1HD1      LEU  34 -11.259 -14.635  -9.904
  195   3HD1  LEU  34          2HD1      LEU  34 -11.643 -12.961 -10.312
  196   1HD2  LEU  34          1HD2      LEU  34 -12.399 -14.583  -6.410
  197   2HD2  LEU  34          2HD2      LEU  34 -11.736 -15.586  -7.714
  198   3HD2  LEU  34          3HD2      LEU  34 -10.710 -14.376  -6.920
  199    H    SER  35           H        SER  35 -11.795  -9.154  -6.911
  200    HA   SER  35           HA       SER  35 -14.202  -8.575  -5.639
  201   1HB   SER  35          2HB       SER  35 -13.306  -6.599  -4.831
  202   2HB   SER  35          3HB       SER  35 -11.946  -7.729  -4.991
  203    HG   SER  35           HG       SER  35 -11.508  -6.613  -7.024
  204    H    LYS  36           H        LYS  36 -13.182  -7.480  -8.864
  205    HA   LYS  36           HA       LYS  36 -15.093  -5.396  -9.214
  206   1HB   LYS  36          2HB       LYS  36 -13.881  -7.305 -11.252
  207   2HB   LYS  36          3HB       LYS  36 -14.706  -5.785 -11.619
  208   1HG   LYS  36          2HG       LYS  36 -12.986  -4.472 -10.538
  209   2HG   LYS  36          3HG       LYS  36 -12.226  -5.897  -9.835
  210   1HD   LYS  36          2HD       LYS  36 -10.869  -5.272 -11.664
  211   2HD   LYS  36          3HD       LYS  36 -11.705  -6.768 -12.103
  212   1HE   LYS  36          2HE       LYS  36 -13.319  -5.466 -13.474
  213   2HE   LYS  36          3HE       LYS  36 -12.542  -3.953 -12.966
  214   1HZ   LYS  36          3HZ       LYS  36 -10.530  -4.728 -14.032
  215   2HZ   LYS  36          1HZ       LYS  36 -11.294  -6.100 -14.529
  216   3HZ   LYS  36          2HZ       LYS  36 -11.784  -4.636 -15.098
  217    H    HIS  37           H        HIS  37 -15.321  -8.925  -9.494
  218    HA   HIS  37           HA       HIS  37 -18.072  -8.829 -10.600
  219   1HB   HIS  37          2HB       HIS  37 -16.275 -11.149  -9.850
  220   2HB   HIS  37          3HB       HIS  37 -17.835 -11.267 -10.652
  221    HD1  HIS  37           HD1      HIS  37 -17.868 -10.807 -13.268
  222    HD2  HIS  37           HD2      HIS  37 -14.151 -10.778 -11.323
  223    HE1  HIS  37           HE1      HIS  37 -16.107 -11.330 -15.040
  224    H    THR  38           H        THR  38 -16.315 -10.135  -7.806
  225    HA   THR  38           HA       THR  38 -18.647 -11.142  -6.454
  226    HB   THR  38           HB       THR  38 -17.033 -11.844  -4.775
  227    HG1  THR  38          1HG       THR  38 -15.101 -10.429  -6.295
  228   1HG2  THR  38          2HG2      THR  38 -17.115 -13.222  -6.826
  229   2HG2  THR  38          3HG2      THR  38 -15.810 -12.251  -7.548
  230   3HG2  THR  38          1HG2      THR  38 -15.492 -13.202  -6.098
  231    H    GLY  39           H        GLY  39 -16.683  -8.177  -6.094
  232   1HA   GLY  39          2HA       GLY  39 -17.066  -6.327  -4.789
  233   2HA   GLY  39          3HA       GLY  39 -18.522  -7.070  -4.117
  234    H    GLU  40           H        GLU  40 -15.847  -9.259  -3.903
  235    HA   GLU  40           HA       GLU  40 -15.784  -8.925  -1.000
  236   1HB   GLU  40          2HB       GLU  40 -14.306 -10.764  -2.922
  237   2HB   GLU  40          3HB       GLU  40 -14.119 -10.813  -1.162
  238   1HG   GLU  40          2HG       GLU  40 -16.498 -11.297  -0.855
  239   2HG   GLU  40          3HG       GLU  40 -16.791 -11.166  -2.590
  240    H    LYS  41           H        LYS  41 -14.156  -8.063   0.255
  241    HA   LYS  41           HA       LYS  41 -11.732  -6.931  -1.085
  242   1HB   LYS  41          2HB       LYS  41 -13.285  -5.492   1.076
  243   2HB   LYS  41          3HB       LYS  41 -11.920  -4.930   0.104
  244   1HG   LYS  41          2HG       LYS  41 -13.533  -5.393  -1.950
  245   2HG   LYS  41          3HG       LYS  41 -14.792  -5.441  -0.702
  246   1HD   LYS  41          2HD       LYS  41 -14.851  -3.214  -1.343
  247   2HD   LYS  41          3HD       LYS  41 -13.789  -3.175   0.079
  248   1HE   LYS  41          2HE       LYS  41 -11.801  -3.259  -1.495
  249   2HE   LYS  41          3HE       LYS  41 -12.927  -3.215  -2.870
  250   1HZ   LYS  41          3HZ       LYS  41 -13.683  -1.079  -1.992
  251   2HZ   LYS  41          1HZ       LYS  41 -12.542  -1.188  -0.796
  252   3HZ   LYS  41          2HZ       LYS  41 -12.077  -1.074  -2.373
  253    HA   PRO  42           HA       PRO  42 -10.656 -10.150   2.025
  254   1HB   PRO  42          2HB       PRO  42  -8.079  -9.701   0.517
  255   2HB   PRO  42          3HB       PRO  42  -8.737 -11.238   1.147
  256   1HG   PRO  42          2HG       PRO  42  -8.994 -10.539  -1.448
  257   2HG   PRO  42          3HG       PRO  42 -10.394 -11.278  -0.597
  258   1HD   PRO  42          2HD       PRO  42  -9.882  -8.405  -1.301
  259   2HD   PRO  42          3HD       PRO  42 -11.409  -9.323  -1.305
  260    H    PHE  43           H        PHE  43  -8.940  -7.036   1.553
  261    HA   PHE  43           HA       PHE  43  -7.424  -7.476   4.093
  262   1HB   PHE  43          2HB       PHE  43  -6.947  -5.622   1.759
  263   2HB   PHE  43          3HB       PHE  43  -6.049  -5.627   3.253
  264    HD1  PHE  43           HD1      PHE  43  -6.771  -7.627   0.171
  265    HD2  PHE  43           HD2      PHE  43  -4.454  -7.377   3.808
  266    HE1  PHE  43           HE1      PHE  43  -5.336  -9.466  -0.614
  267    HE2  PHE  43           HE2      PHE  43  -3.020  -9.228   3.006
  268    HZ   PHE  43           HZ       PHE  43  -3.447 -10.270   0.791
  269    HA   PRO  44           HA       PRO  44 -10.629  -4.338   5.250
  270   1HB   PRO  44          2HB       PRO  44 -11.249  -5.200   7.747
  271   2HB   PRO  44          3HB       PRO  44 -11.916  -5.983   6.286
  272   1HG   PRO  44          2HG       PRO  44  -9.462  -6.847   7.859
  273   2HG   PRO  44          3HG       PRO  44 -10.872  -7.855   7.409
  274   1HD   PRO  44          2HD       PRO  44  -8.619  -7.848   5.916
  275   2HD   PRO  44          3HD       PRO  44 -10.231  -7.861   5.131
  276    H    CYS  45           H        CYS  45 -10.314  -2.519   6.572
  277    HA   CYS  45           HA       CYS  45  -7.569  -2.089   7.518
  278   1HB   CYS  45          2HB       CYS  45  -8.733  -0.457   6.185
  279   2HB   CYS  45          3HB       CYS  45  -9.986  -0.291   7.431
  280    H    LYS  46           H        LYS  46 -10.530  -3.093   8.940
  281    HA   LYS  46           HA       LYS  46 -11.127  -3.734  10.971
  282   1HB   LYS  46          2HB       LYS  46  -8.212  -3.451  11.734
  283   2HB   LYS  46          3HB       LYS  46  -9.446  -4.275  12.657
  284   1HG   LYS  46          2HG       LYS  46  -8.524  -5.037   9.849
  285   2HG   LYS  46          3HG       LYS  46  -8.024  -5.818  11.340
  286   1HD   LYS  46          2HD       LYS  46 -10.818  -5.831  10.115
  287   2HD   LYS  46          3HD       LYS  46  -9.697  -7.181  10.255
  288   1HE   LYS  46          2HE       LYS  46 -11.130  -5.780  12.555
  289   2HE   LYS  46          3HE       LYS  46 -11.444  -7.396  11.922
  290   1HZ   LYS  46          3HZ       LYS  46  -9.243  -8.035  12.605
  291   2HZ   LYS  46          1HZ       LYS  46  -8.957  -6.531  13.215
  292   3HZ   LYS  46          2HZ       LYS  46 -10.122  -7.483  13.885
  293    H    GLU  47           H        GLU  47  -9.045  -0.847  11.239
  294    HA   GLU  47           HA       GLU  47  -9.605   0.077  13.724
  295   1HB   GLU  47          2HB       GLU  47  -9.510   1.677  11.134
  296   2HB   GLU  47          3HB       GLU  47  -9.464   2.394  12.754
  297   1HG   GLU  47          2HG       GLU  47  -7.429   1.009  13.266
  298   2HG   GLU  47          3HG       GLU  47  -7.402   0.476  11.575
  299    H    GLU  48           H        GLU  48 -11.221   0.985  14.875
  300    HA   GLU  48           HA       GLU  48 -13.930   0.670  14.103
  301   1HB   GLU  48          2HB       GLU  48 -12.697   2.489  16.224
  302   2HB   GLU  48          3HB       GLU  48 -14.419   2.104  16.083
  303   1HG   GLU  48          2HG       GLU  48 -13.917  -0.312  16.399
  304   2HG   GLU  48          3HG       GLU  48 -12.198   0.063  16.596
  305    H    GLY  49           H        GLY  49 -15.381   2.049  13.090
  306   1HA   GLY  49          2HA       GLY  49 -16.177   3.928  12.003
  307   2HA   GLY  49          3HA       GLY  49 -14.791   4.872  12.574
  308    H    CYS  50           H        CYS  50 -12.608   3.919  11.606
  309    HA   CYS  50           HA       CYS  50 -12.788   4.108   8.680
  310   1HB   CYS  50          3HB       CYS  50 -11.129   5.330   9.961
  311   2HB   CYS  50          2HB       CYS  50 -10.451   3.833  10.590
  312    H    GLU  51           H        GLU  51 -14.193   1.863   9.450
  313    HA   GLU  51           HA       GLU  51 -12.461  -0.496   9.280
  314   1HB   GLU  51          2HB       GLU  51 -14.499  -0.259  10.767
  315   2HB   GLU  51          3HB       GLU  51 -15.490  -0.392   9.298
  316   1HG   GLU  51          2HG       GLU  51 -14.426  -2.602   8.831
  317   2HG   GLU  51          3HG       GLU  51 -13.408  -2.404  10.272
  318    H    LYS  52           H        LYS  52 -11.742   0.711   7.217
  319    HA   LYS  52           HA       LYS  52 -13.362   0.535   4.834
  320   1HB   LYS  52          2HB       LYS  52 -10.363   0.523   5.116
  321   2HB   LYS  52          3HB       LYS  52 -11.238   0.985   3.659
  322   1HG   LYS  52          2HG       LYS  52 -11.243   2.521   6.311
  323   2HG   LYS  52          3HG       LYS  52 -10.221   2.871   4.925
  324   1HD   LYS  52          2HD       LYS  52 -12.199   3.348   3.523
  325   2HD   LYS  52          3HD       LYS  52 -13.283   2.851   4.833
  326   1HE   LYS  52          2HE       LYS  52 -13.165   5.291   4.699
  327   2HE   LYS  52          3HE       LYS  52 -12.532   4.705   6.244
  328   1HZ   LYS  52          1HZ       LYS  52 -10.904   5.518   3.931
  329   2HZ   LYS  52          2HZ       LYS  52 -11.159   6.398   5.299
  330   3HZ   LYS  52          3HZ       LYS  52 -10.331   4.979   5.383
  331    H    GLY  53           H        GLY  53 -12.636  -0.789   2.920
  332   1HA   GLY  53          2HA       GLY  53 -11.784  -3.576   3.568
  333   2HA   GLY  53          3HA       GLY  53 -13.157  -3.196   2.520
  334    H    PHE  54           H        PHE  54  -9.810  -3.707   2.561
  335    HA   PHE  54           HA       PHE  54  -9.455  -2.372  -0.078
  336   1HB   PHE  54          2HB       PHE  54  -7.427  -2.983   2.067
  337   2HB   PHE  54          3HB       PHE  54  -7.024  -2.507   0.424
  338    HD1  PHE  54           HD2      PHE  54  -8.137  -0.388  -0.525
  339    HD2  PHE  54           HD1      PHE  54  -8.231  -1.282   3.660
  340    HE1  PHE  54           HE2      PHE  54  -8.650   1.985  -0.042
  341    HE2  PHE  54           HE1      PHE  54  -8.534   1.121   4.163
  342    HZ   PHE  54           HZ       PHE  54  -8.913   2.732   2.310
  343    H    THR  55           H        THR  55  -8.435  -3.528  -1.780
  344    HA   THR  55           HA       THR  55  -8.986  -6.414  -1.666
  345    HB   THR  55           HB       THR  55  -8.610  -5.835  -4.256
  346    HG1  THR  55          1HG       THR  55  -9.406  -3.681  -4.573
  347   1HG2  THR  55          3HG2      THR  55 -10.996  -5.100  -2.508
  348   2HG2  THR  55          1HG2      THR  55 -11.072  -5.208  -4.269
  349   3HG2  THR  55          2HG2      THR  55 -10.696  -6.651  -3.310
  350    H    SER  56           H        SER  56  -6.155  -4.654  -1.118
  351    HA   SER  56           HA       SER  56  -4.684  -7.101  -1.621
  352   1HB   SER  56          2HB       SER  56  -3.063  -6.313  -3.116
  353   2HB   SER  56          3HB       SER  56  -4.623  -5.869  -3.836
  354    HG   SER  56           HG       SER  56  -3.265  -4.116  -3.968
  355    H    LEU  57           H        LEU  57  -2.620  -7.110  -0.586
  356    HA   LEU  57           HA       LEU  57  -2.577  -5.747   1.875
  357   1HB   LEU  57          2HB       LEU  57  -1.373  -7.866   1.468
  358   2HB   LEU  57          3HB       LEU  57  -0.292  -7.060   0.329
  359    HG   LEU  57           HG       LEU  57   0.637  -5.685   2.137
  360   1HD1  LEU  57          1HD1      LEU  57  -1.352  -7.148   3.932
  361   2HD1  LEU  57          2HD1      LEU  57   0.024  -6.195   4.522
  362   3HD1  LEU  57          3HD1      LEU  57  -1.278  -5.393   3.642
  363   1HD2  LEU  57          2HD2      LEU  57   1.603  -7.908   1.666
  364   2HD2  LEU  57          3HD2      LEU  57   1.769  -7.476   3.378
  365   3HD2  LEU  57          1HD2      LEU  57   0.524  -8.638   2.874
  366    H    HIS  58           H        HIS  58  -0.857  -5.098  -1.239
  367    HA   HIS  58           HA       HIS  58   0.534  -2.812  -0.253
  368   1HB   HIS  58          2HB       HIS  58   1.317  -3.754  -2.287
  369   2HB   HIS  58          3HB       HIS  58  -0.245  -3.580  -3.071
  370    HD1  HIS  58           HD1      HIS  58   2.011  -0.955  -1.247
  371    HD2  HIS  58           HD2      HIS  58  -0.491  -1.536  -4.560
  372    HE1  HIS  58           HE1      HIS  58   1.831   1.302  -2.414
  373    H    HIS  59           H        HIS  59  -2.733  -3.142  -1.827
  374    HA   HIS  59           HA       HIS  59  -3.227  -0.386  -1.984
  375   1HB   HIS  59          2HB       HIS  59  -4.605  -2.105  -3.056
  376   2HB   HIS  59          3HB       HIS  59  -5.283  -2.554  -1.480
  377    HD1  HIS  59           HD1      HIS  59  -4.980   1.060  -1.357
  378    HD2  HIS  59           HD2      HIS  59  -7.438  -1.698  -3.403
  379    HE1  HIS  59           HE1      HIS  59  -7.004   2.377  -2.208
  380    HE2  HIS  59           HE2      HIS  59  -8.549   0.665  -3.359
  381    H    LEU  60           H        LEU  60  -3.813  -2.707   0.672
  382    HA   LEU  60           HA       LEU  60  -4.913  -0.863   2.520
  383   1HB   LEU  60          2HB       LEU  60  -4.965  -3.367   2.727
  384   2HB   LEU  60          3HB       LEU  60  -3.233  -3.359   3.068
  385    HG   LEU  60           HG       LEU  60  -3.681  -1.922   5.096
  386   1HD1  LEU  60          2HD1      LEU  60  -6.577  -2.573   4.384
  387   2HD1  LEU  60          3HD1      LEU  60  -6.028  -1.915   5.942
  388   3HD1  LEU  60          1HD1      LEU  60  -5.866  -0.940   4.486
  389   1HD2  LEU  60          3HD2      LEU  60  -3.404  -4.398   5.208
  390   2HD2  LEU  60          1HD2      LEU  60  -4.481  -3.758   6.464
  391   3HD2  LEU  60          2HD2      LEU  60  -5.167  -4.574   5.051
  392    H    THR  61           H        THR  61  -1.546  -1.810   1.798
  393    HA   THR  61           HA       THR  61  -0.293  -0.374   3.885
  394    HB   THR  61           HB       THR  61   0.871  -0.944   1.146
  395    HG1  THR  61          1HG       THR  61   0.046  -2.801   2.349
  396   1HG2  THR  61          2HG2      THR  61   2.175  -0.445   3.850
  397   2HG2  THR  61          3HG2      THR  61   3.018  -0.946   2.373
  398   3HG2  THR  61          1HG2      THR  61   2.239   0.644   2.447
  399    H    ARG  62           H        ARG  62  -0.933   0.704   0.443
  400    HA   ARG  62           HA       ARG  62   0.114   3.292   0.940
  401   1HB   ARG  62          2HB       ARG  62  -1.013   4.136  -0.982
  402   2HB   ARG  62          3HB       ARG  62  -0.119   2.649  -1.309
  403   1HG   ARG  62          2HG       ARG  62  -2.145   1.374  -1.407
  404   2HG   ARG  62          3HG       ARG  62  -3.139   2.761  -0.896
  405   1HD   ARG  62          2HD       ARG  62  -2.517   3.995  -2.918
  406   2HD   ARG  62          3HD       ARG  62  -1.462   2.701  -3.447
  407    HE   ARG  62           HE       ARG  62  -4.409   2.824  -3.525
  408   1HH1  ARG  62          1HH1      ARG  62  -1.542   0.741  -3.918
  409   2HH1  ARG  62          2HH1      ARG  62  -2.319  -0.219  -5.150
  410   1HH2  ARG  62          2HH2      ARG  62  -5.416   1.418  -4.988
  411   2HH2  ARG  62          1HH2      ARG  62  -4.606  -0.011  -5.586
  412    H    HIS  63           H        HIS  63  -3.197   1.992   1.454
  413    HA   HIS  63           HA       HIS  63  -4.365   4.471   2.229
  414   1HB   HIS  63          2HB       HIS  63  -5.718   2.492   1.817
  415   2HB   HIS  63          3HB       HIS  63  -4.973   1.635   3.167
  416    HD1  HIS  63           HD1      HIS  63  -6.940   4.964   2.752
  417    HD2  HIS  63           HD2      HIS  63  -6.223   1.816   5.455
  418    HE1  HIS  63           HE1      HIS  63  -8.294   5.471   4.844
  419    H    SER  64           H        SER  64  -2.662   2.002   4.253
  420    HA   SER  64           HA       SER  64  -2.978   3.387   6.684
  421   1HB   SER  64          2HB       SER  64  -1.348   1.949   7.626
  422   2HB   SER  64          3HB       SER  64  -2.284   1.008   6.453
  423    HG   SER  64           HG       SER  64  -0.448   1.653   4.966
  424    H    LEU  65           H        LEU  65  -0.871   4.262   4.027
  425    HA   LEU  65           HA       LEU  65   1.117   5.696   5.486
  426   1HB   LEU  65          2HB       LEU  65  -0.068   6.446   2.809
  427   2HB   LEU  65          3HB       LEU  65   1.443   7.033   3.495
  428    HG   LEU  65           HG       LEU  65   0.906   4.134   2.798
  429   1HD1  LEU  65          2HD1      LEU  65   0.987   5.612   0.809
  430   2HD1  LEU  65          3HD1      LEU  65   2.545   6.247   1.381
  431   3HD1  LEU  65          1HD1      LEU  65   2.406   4.547   0.880
  432   1HD2  LEU  65          2HD2      LEU  65   3.509   5.514   3.541
  433   2HD2  LEU  65          3HD2      LEU  65   2.633   4.348   4.569
  434   3HD2  LEU  65          1HD2      LEU  65   3.332   3.826   3.035
  435    H    THR  66           H        THR  66  -2.290   6.435   4.732
  436    HA   THR  66           HA       THR  66  -2.139   9.225   5.403
  437    HB   THR  66           HB       THR  66  -4.534   9.169   5.534
  438    HG1  THR  66          1HG       THR  66  -4.429   6.346   5.321
  439   1HG2  THR  66          1HG2      THR  66  -3.507   9.031   3.260
  440   2HG2  THR  66          2HG2      THR  66  -3.684   7.265   3.290
  441   3HG2  THR  66          3HG2      THR  66  -5.119   8.299   3.347
  442    H    HIS  67           H        HIS  67  -2.528   6.279   7.332
  443    HA   HIS  67           HA       HIS  67  -3.313   7.677   9.776
  444   1HB   HIS  67          2HB       HIS  67  -2.356   4.811   9.345
  445   2HB   HIS  67          3HB       HIS  67  -3.131   5.457  10.789
  446    HD1  HIS  67           HD1      HIS  67  -5.047   6.867   8.009
  447    HD2  HIS  67           HD2      HIS  67  -4.578   3.052   9.718
  448    HE1  HIS  67           HE1      HIS  67  -7.073   5.539   7.336
  449    H    THR  68           H        THR  68  -0.466   5.886   8.606
  450    HA   THR  68           HA       THR  68   1.177   6.461  10.898
  451    HB   THR  68           HB       THR  68   3.000   5.576   9.421
  452    HG1  THR  68          1HG       THR  68   0.911   5.158   7.542
  453   1HG2  THR  68          2HG2      THR  68   0.421   3.928   9.423
  454   2HG2  THR  68          3HG2      THR  68   2.066   3.309   9.185
  455   3HG2  THR  68          1HG2      THR  68   1.605   4.020  10.745
  456    H    GLY  69           H        GLY  69   0.574   8.168   7.851
  457   1HA   GLY  69          2HA       GLY  69   1.000  10.358   7.345
  458   2HA   GLY  69          3HA       GLY  69   1.920  10.565   8.843
  459    H    GLU  70           H        GLU  70   2.711   7.831   6.803
  460    HA   GLU  70           HA       GLU  70   5.402   8.876   6.337
  461   1HB   GLU  70          2HB       GLU  70   4.038   6.274   5.605
  462   2HB   GLU  70          3HB       GLU  70   5.750   6.609   5.319
  463   1HG   GLU  70          2HG       GLU  70   4.376   6.627   8.038
  464   2HG   GLU  70          3HG       GLU  70   5.361   5.305   7.401
  465    H    LYS  71           H        LYS  71   4.031  10.663   5.193
  466    HA   LYS  71           HA       LYS  71   3.490  10.304   2.326
  467   1HB   LYS  71          2HB       LYS  71   2.225  11.774   3.891
  468   2HB   LYS  71          3HB       LYS  71   3.694  12.706   4.179
  469   1HG   LYS  71          2HG       LYS  71   3.678  13.338   1.716
  470   2HG   LYS  71          3HG       LYS  71   2.127  12.479   1.580
  471   1HD   LYS  71          2HD       LYS  71   1.249  13.940   3.475
  472   2HD   LYS  71          3HD       LYS  71   2.779  14.843   3.410
  473   1HE   LYS  71          2HE       LYS  71   2.316  15.385   1.014
  474   2HE   LYS  71          3HE       LYS  71   0.756  14.536   1.157
  475   1HZ   LYS  71          1HZ       LYS  71   0.128  16.117   2.830
  476   2HZ   LYS  71          2HZ       LYS  71   1.577  16.897   2.698
  477   3HZ   LYS  71          3HZ       LYS  71   0.531  16.884   1.426
  478    H    ASN  72           H        ASN  72   5.769   9.276   2.308
  479    HA   ASN  72           HA       ASN  72   8.001  11.239   2.462
  480   1HB   ASN  72          2HB       ASN  72   8.065   8.227   2.170
  481   2HB   ASN  72          3HB       ASN  72   9.430   9.273   2.582
  482   1HD2  ASN  72          1HD2      ASN  72   8.157   7.647   5.708
  483   2HD2  ASN  72          2HD2      ASN  72   8.776   7.068   4.170
  484    H    PHE  73           H        PHE  73   6.124  10.089  -0.128
  485    HA   PHE  73           HA       PHE  73   8.357   9.573  -1.922
  486   1HB   PHE  73          2HB       PHE  73   5.423  10.018  -2.529
  487   2HB   PHE  73          3HB       PHE  73   6.661   9.491  -3.666
  488    HD1  PHE  73           HD2      PHE  73   8.082   7.420  -3.031
  489    HD2  PHE  73           HD1      PHE  73   4.451   8.432  -0.965
  490    HE1  PHE  73           HE2      PHE  73   8.096   5.216  -1.926
  491    HE2  PHE  73           HE1      PHE  73   4.385   6.176   0.034
  492    HZ   PHE  73           HZ       PHE  73   6.217   4.561  -0.415
  493    H    THR  74           H        THR  74   9.600  11.276  -1.580
  494    HA   THR  74           HA       THR  74   8.896  14.028  -2.037
  495    HB   THR  74           HB       THR  74  11.586  12.672  -1.724
  496    HG1  THR  74          1HG       THR  74  10.124  12.246   0.015
  497   1HG2  THR  74          2HG2      THR  74  10.699  15.557  -1.273
  498   2HG2  THR  74          3HG2      THR  74  12.278  14.884  -0.824
  499   3HG2  THR  74          1HG2      THR  74  11.822  14.976  -2.532
  500    H    CYS  75           H        CYS  75   8.799  15.049  -3.953
  501    HA   CYS  75           HA       CYS  75   9.545  13.921  -6.473
  502   1HB   CYS  75          2HB       CYS  75   7.947  15.619  -6.532
  503   2HB   CYS  75          3HB       CYS  75   8.874  16.697  -5.470
  504    H    ASP  76           H        ASP  76  11.556  13.580  -7.216
  505    HA   ASP  76           HA       ASP  76  13.882  14.630  -5.847
  506   1HB   ASP  76          2HB       ASP  76  15.118  13.250  -7.425
  507   2HB   ASP  76          3HB       ASP  76  13.821  12.359  -6.615
  508    H    SER  77           H        SER  77  13.020  16.890  -6.283
  509    HA   SER  77           HA       SER  77  14.598  18.023  -8.517
  510   1HB   SER  77          2HB       SER  77  12.256  17.794  -9.381
  511   2HB   SER  77          3HB       SER  77  11.686  18.779  -8.020
  512    HG   SER  77           HG       SER  77  13.000  20.482  -8.820
  513    H    ASP  78           H        ASP  78  15.966  19.352  -7.434
  514    HA   ASP  78           HA       ASP  78  15.764  20.112  -4.764
  515   1HB   ASP  78          2HB       ASP  78  17.153  21.588  -7.046
  516   2HB   ASP  78          3HB       ASP  78  17.456  21.848  -5.323
  517    H    GLY  79           H        GLY  79  14.850  21.833  -3.658
  518   1HA   GLY  79          2HA       GLY  79  13.681  23.809  -3.308
  519   2HA   GLY  79          3HA       GLY  79  13.617  24.124  -5.052
  520    H    CYS  80           H        CYS  80  12.413  22.119  -6.207
  521    HA   CYS  80           HA       CYS  80   9.656  22.097  -5.176
  522   1HB   CYS  80          2HB       CYS  80  10.118  22.444  -7.542
  523   2HB   CYS  80          3HB       CYS  80  10.959  20.904  -7.649
  524    H    ASP  81           H        ASP  81  11.188  20.917  -3.258
  525    HA   ASP  81           HA       ASP  81  11.220  17.986  -3.628
  526   1HB   ASP  81          2HB       ASP  81  11.871  19.705  -1.221
  527   2HB   ASP  81          3HB       ASP  81  12.100  17.958  -1.341
  528    H    LEU  82           H        LEU  82   8.747  18.711  -4.178
  529    HA   LEU  82           HA       LEU  82   6.958  18.917  -1.912
  530   1HB   LEU  82          2HB       LEU  82   6.596  18.143  -4.826
  531   2HB   LEU  82          3HB       LEU  82   5.239  18.176  -3.689
  532    HG   LEU  82           HG       LEU  82   6.986  20.577  -4.387
  533   1HD1  LEU  82          3HD1      LEU  82   5.680  19.746  -6.328
  534   2HD1  LEU  82          1HD1      LEU  82   4.196  19.785  -5.351
  535   3HD1  LEU  82          2HD1      LEU  82   5.045  21.294  -5.747
  536   1HD2  LEU  82          3HD2      LEU  82   4.340  20.328  -2.863
  537   2HD2  LEU  82          1HD2      LEU  82   5.900  20.848  -2.180
  538   3HD2  LEU  82          2HD2      LEU  82   5.081  21.859  -3.373
  539    H    ARG  83           H        ARG  83   6.117  17.321  -0.648
  540    HA   ARG  83           HA       ARG  83   6.965  14.520  -1.162
  541   1HB   ARG  83          2HB       ARG  83   5.783  15.876   1.288
  542   2HB   ARG  83          3HB       ARG  83   6.195  14.160   1.130
  543   1HG   ARG  83          2HG       ARG  83   8.557  14.798   0.578
  544   2HG   ARG  83          3HG       ARG  83   8.158  16.487   0.923
  545   1HD   ARG  83          2HD       ARG  83   7.955  14.148   2.887
  546   2HD   ARG  83          3HD       ARG  83   9.243  15.338   2.820
  547    HE   ARG  83           HE       ARG  83   7.835  17.056   3.564
  548   1HH1  ARG  83          2HH1      ARG  83   6.050  13.936   3.557
  549   2HH1  ARG  83          1HH1      ARG  83   4.970  14.463   4.809
  550   1HH2  ARG  83          1HH2      ARG  83   6.332  17.706   5.098
  551   2HH2  ARG  83          2HH2      ARG  83   5.069  16.633   5.637
  552    H    PHE  84           H        PHE  84   5.544  12.938  -1.653
  553    HA   PHE  84           HA       PHE  84   2.651  13.665  -1.859
  554   1HB   PHE  84          2HB       PHE  84   4.319  11.951  -3.722
  555   2HB   PHE  84          3HB       PHE  84   2.581  12.170  -3.834
  556    HD1  PHE  84           HD1      PHE  84   5.860  13.954  -4.121
  557    HD2  PHE  84           HD2      PHE  84   1.618  14.125  -4.938
  558    HE1  PHE  84           HE1      PHE  84   6.168  16.045  -5.352
  559    HE2  PHE  84           HE2      PHE  84   1.991  16.146  -6.301
  560    HZ   PHE  84           HZ       PHE  84   4.218  17.229  -6.338
  561    H    THR  85           H        THR  85   1.160  11.858  -1.733
  562    HA   THR  85           HA       THR  85   1.738  10.173   0.511
  563    HB   THR  85           HB       THR  85  -0.615   9.312  -0.196
  564    HG1  THR  85          1HG       THR  85  -1.623  10.814  -1.642
  565   1HG2  THR  85          2HG2      THR  85  -0.187  11.020   1.584
  566   2HG2  THR  85          3HG2      THR  85  -0.276  12.297   0.348
  567   3HG2  THR  85          1HG2      THR  85  -1.694  11.282   0.704
  568    H    THR  86           H        THR  86   1.748   9.603  -3.033
  569    HA   THR  86           HA       THR  86   2.698   6.834  -2.463
  570    HB   THR  86           HB       THR  86   1.321   5.972  -4.273
  571    HG1  THR  86          1HG       THR  86  -0.256   8.254  -4.381
  572   1HG2  THR  86          2HG2      THR  86   0.388   5.932  -1.956
  573   2HG2  THR  86          3HG2      THR  86  -0.478   7.443  -2.296
  574   3HG2  THR  86          1HG2      THR  86  -0.856   5.978  -3.219
  575    H    LYS  87           H        LYS  87   3.906   5.892  -4.178
  576    HA   LYS  87           HA       LYS  87   5.758   7.593  -5.452
  577   1HB   LYS  87          2HB       LYS  87   4.846   4.779  -6.235
  578   2HB   LYS  87          3HB       LYS  87   6.245   5.630  -6.914
  579   1HG   LYS  87          2HG       LYS  87   7.296   5.732  -4.703
  580   2HG   LYS  87          3HG       LYS  87   5.922   4.839  -3.997
  581   1HD   LYS  87          2HD       LYS  87   6.404   2.983  -5.672
  582   2HD   LYS  87          3HD       LYS  87   7.812   3.918  -6.210
  583   1HE   LYS  87          2HE       LYS  87   8.522   2.160  -4.701
  584   2HE   LYS  87          3HE       LYS  87   8.813   3.733  -3.946
  585   1HZ   LYS  87          3HZ       LYS  87   6.539   1.941  -3.410
  586   2HZ   LYS  87          1HZ       LYS  87   7.849   2.156  -2.437
  587   3HZ   LYS  87          2HZ       LYS  87   6.795   3.397  -2.683
  588    H    ALA  88           H        ALA  88   2.712   6.077  -6.614
  589    HA   ALA  88           HA       ALA  88   3.010   7.027  -9.277
  590   1HB   ALA  88          2HB       ALA  88   1.696   5.154  -8.683
  591   2HB   ALA  88          1HB       ALA  88   0.472   6.180  -7.870
  592   3HB   ALA  88          3HB       ALA  88   0.753   6.324  -9.633
  593    H    ASN  89           H        ASN  89   1.365   8.533  -6.398
  594    HA   ASN  89           HA       ASN  89   0.370  10.778  -7.909
  595   1HB   ASN  89          2HB       ASN  89   1.141  10.498  -4.978
  596   2HB   ASN  89          3HB       ASN  89   0.475  11.983  -5.674
  597   1HD2  ASN  89          1HD2      ASN  89  -2.364   9.962  -4.231
  598   2HD2  ASN  89          2HD2      ASN  89  -0.841  10.523  -3.538
  599    H    MET  90           H        MET  90   3.493  10.196  -6.244
  600    HA   MET  90           HA       MET  90   4.729  12.683  -6.839
  601   1HB   MET  90          2HB       MET  90   5.675  11.059  -5.274
  602   2HB   MET  90          3HB       MET  90   5.879   9.884  -6.557
  603   1HG   MET  90          2HG       MET  90   7.516  11.472  -7.665
  604   2HG   MET  90          3HG       MET  90   7.373  12.479  -6.218
  605   1HE   MET  90          2HE       MET  90   8.578   9.054  -7.759
  606   2HE   MET  90          3HE       MET  90   9.313   8.251  -6.351
  607   3HE   MET  90          1HE       MET  90   7.563   8.399  -6.454
  608    H    LYS  91           H        LYS  91   4.609   9.639  -8.764
  609    HA   LYS  91           HA       LYS  91   6.108  10.637 -10.983
  610   1HB   LYS  91          2HB       LYS  91   4.017   8.448 -10.806
  611   2HB   LYS  91          3HB       LYS  91   4.939   8.796 -12.265
  612   1HG   LYS  91          2HG       LYS  91   6.158   7.904  -9.614
  613   2HG   LYS  91          3HG       LYS  91   5.855   6.903 -11.036
  614   1HD   LYS  91          2HD       LYS  91   7.379   8.564 -12.319
  615   2HD   LYS  91          3HD       LYS  91   7.843   9.188 -10.714
  616   1HE   LYS  91          2HE       LYS  91   8.521   6.886 -10.037
  617   2HE   LYS  91          3HE       LYS  91   8.090   6.300 -11.660
  618   1HZ   LYS  91          3HZ       LYS  91   9.749   7.757 -12.559
  619   2HZ   LYS  91          1HZ       LYS  91  10.154   8.298 -11.055
  620   3HZ   LYS  91          2HZ       LYS  91  10.414   6.723 -11.463
  621    H    LYS  92           H        LYS  92   2.533  10.619 -10.460
  622    HA   LYS  92           HA       LYS  92   1.835  11.780 -12.942
  623   1HB   LYS  92          2HB       LYS  92   0.587  12.165 -10.186
  624   2HB   LYS  92          3HB       LYS  92  -0.097  12.809 -11.688
  625   1HG   LYS  92          2HG       LYS  92   0.021  10.357 -12.548
  626   2HG   LYS  92          3HG       LYS  92   0.137   9.907 -10.847
  627   1HD   LYS  92          2HD       LYS  92  -2.101  11.581 -12.104
  628   2HD   LYS  92          3HD       LYS  92  -2.162   9.847 -11.796
  629   1HE   LYS  92          2HE       LYS  92  -3.389  10.886 -10.074
  630   2HE   LYS  92          3HE       LYS  92  -1.902  10.280  -9.332
  631   1HZ   LYS  92          2HZ       LYS  92  -2.398  13.059 -10.174
  632   2HZ   LYS  92          3HZ       LYS  92  -2.577  12.495  -8.640
  633   3HZ   LYS  92          1HZ       LYS  92  -1.089  12.517  -9.335
  634    H    HIS  93           H        HIS  93   2.691  13.433  -9.841
  635    HA   HIS  93           HA       HIS  93   2.592  16.083 -10.881
  636   1HB   HIS  93          2HB       HIS  93   2.797  15.839  -8.547
  637   2HB   HIS  93          3HB       HIS  93   4.208  14.791  -8.665
  638    HD1  HIS  93           HD1      HIS  93   3.389  18.521  -9.411
  639    HD2  HIS  93           HD2      HIS  93   6.582  15.877  -8.696
  640    HE1  HIS  93           HE1      HIS  93   5.502  19.944  -9.254
  641    H    PHE  94           H        PHE  94   5.397  13.857 -10.599
  642    HA   PHE  94           HA       PHE  94   7.276  15.533 -11.750
  643   1HB   PHE  94          2HB       PHE  94   7.596  13.255 -10.601
  644   2HB   PHE  94          3HB       PHE  94   7.312  12.533 -12.181
  645    HD1  PHE  94           HD1      PHE  94   8.952  13.011 -14.068
  646    HD2  PHE  94           HD2      PHE  94   9.637  14.412 -10.040
  647    HE1  PHE  94           HE1      PHE  94  11.312  13.508 -14.633
  648    HE2  PHE  94           HE2      PHE  94  11.998  14.892 -10.613
  649    HZ   PHE  94           HZ       PHE  94  12.837  14.450 -12.906
  650    H    ASN  95           H        ASN  95   5.072  13.307 -13.357
  651    HA   ASN  95           HA       ASN  95   5.956  13.657 -16.037
  652   1HB   ASN  95          2HB       ASN  95   3.415  12.703 -14.720
  653   2HB   ASN  95          3HB       ASN  95   3.404  13.058 -16.444
  654   1HD2  ASN  95          1HD2      ASN  95   5.255   9.692 -15.073
  655   2HD2  ASN  95          2HD2      ASN  95   4.617  10.898 -13.953
  656    H    ARG  96           H        ARG  96   3.073  14.983 -14.436
  657    HA   ARG  96           HA       ARG  96   2.211  16.863 -16.245
  658   1HB   ARG  96          2HB       ARG  96   2.151  16.807 -13.220
  659   2HB   ARG  96          3HB       ARG  96   1.317  18.053 -14.155
  660   1HG   ARG  96          2HG       ARG  96  -0.123  16.440 -15.211
  661   2HG   ARG  96          3HG       ARG  96   0.802  15.076 -14.557
  662   1HD   ARG  96          2HD       ARG  96   0.232  15.778 -12.255
  663   2HD   ARG  96          3HD       ARG  96  -0.726  17.134 -12.904
  664    HE   ARG  96           HE       ARG  96  -1.722  14.806 -14.108
  665   1HH1  ARG  96          1HH2      ARG  96  -1.415  16.111 -10.852
  666   2HH1  ARG  96          2HH2      ARG  96  -2.855  15.337 -10.222
  667   1HH2  ARG  96          2HH1      ARG  96  -3.626  13.769 -13.311
  668   2HH2  ARG  96          1HH1      ARG  96  -4.119  14.001 -11.651
  669    H    PHE  97           H        PHE  97   4.854  17.314 -13.882
  670    HA   PHE  97           HA       PHE  97   5.136  20.154 -14.768
  671   1HB   PHE  97          2HB       PHE  97   6.102  18.647 -12.324
  672   2HB   PHE  97          3HB       PHE  97   6.700  20.233 -12.774
  673    HD1  PHE  97           HD1      PHE  97   3.321  18.565 -12.395
  674    HD2  PHE  97           HD2      PHE  97   5.783  22.006 -11.566
  675    HE1  PHE  97           HE1      PHE  97   1.445  19.624 -11.226
  676    HE2  PHE  97           HE2      PHE  97   3.963  22.955 -10.185
  677    HZ   PHE  97           HZ       PHE  97   1.800  21.741  -9.961
  678    H    HIS  98           H        HIS  98   7.408  17.496 -13.858
  679    HA   HIS  98           HA       HIS  98   9.548  18.945 -15.171
  680   1HB   HIS  98          2HB       HIS  98   9.551  16.292 -13.713
  681   2HB   HIS  98          3HB       HIS  98  10.978  17.177 -14.265
  682    HD1  HIS  98           HD1      HIS  98  10.900  19.928 -13.232
  683    HD2  HIS  98           HD2      HIS  98   8.860  16.843 -11.235
  684    HE1  HIS  98           HE1      HIS  98  10.309  20.812 -10.911
  685    H    ASN  99           H        ASN  99   7.648  16.013 -15.986
  686    HA   ASN  99           HA       ASN  99   9.463  15.461 -18.239
  687   1HB   ASN  99          2HB       ASN  99   7.989  13.755 -17.033
  688   2HB   ASN  99          3HB       ASN  99   6.658  14.380 -18.038
  689   1HD2  ASN  99          1HD2      ASN  99   8.640  13.233 -21.066
  690   2HD2  ASN  99          2HD2      ASN  99   8.176  14.837 -20.529
  691    H    ILE 100           H        ILE 100   6.305  17.056 -17.733
  692    HA   ILE 100           HA       ILE 100   5.918  17.652 -20.561
  693    HB   ILE 100           HB       ILE 100   4.628  18.554 -17.998
  694   1HG1  ILE 100          2HG1      ILE 100   4.248  16.186 -18.812
  695   2HG1  ILE 100          3HG1      ILE 100   2.807  17.160 -18.536
  696   1HG2  ILE 100          3HG2      ILE 100   3.841  19.428 -20.791
  697   2HG2  ILE 100          1HG2      ILE 100   2.756  19.504 -19.383
  698   3HG2  ILE 100          2HG2      ILE 100   4.247  20.443 -19.392
  699   1HD1  ILE 100          3HD1      ILE 100   4.049  16.611 -21.273
  700   2HD1  ILE 100          1HD1      ILE 100   2.658  15.772 -20.572
  701   3HD1  ILE 100          2HD1      ILE 100   2.534  17.491 -20.962
  702    H    LYS 101           H        LYS 101   7.548  19.334 -17.893
  703    HA   LYS 101           HA       LYS 101   8.880  21.140 -17.881
  704   1HB   LYS 101          2HB       LYS 101   8.486  21.561 -20.869
  705   2HB   LYS 101          3HB       LYS 101   9.765  22.180 -19.848
  706   1HG   LYS 101          2HG       LYS 101   9.356  19.220 -20.474
  707   2HG   LYS 101          3HG       LYS 101  10.422  20.303 -21.365
  708   1HD   LYS 101          2HD       LYS 101  11.740  20.774 -19.338
  709   2HD   LYS 101          3HD       LYS 101  10.699  19.707 -18.385
  710   1HE   LYS 101          2HE       LYS 101  12.375  18.832 -20.790
  711   2HE   LYS 101          3HE       LYS 101  12.820  18.609 -19.089
  712   1HZ   LYS 101          3HZ       LYS 101  10.864  17.295 -18.795
  713   2HZ   LYS 101          1HZ       LYS 101  10.453  17.439 -20.381
  714   3HZ   LYS 101          2HZ       LYS 101  11.837  16.646 -19.961
  715   1H5*    T   1          1H5*        T   1  -5.076  23.071 -16.937
  716   2H5*    T   1          2H5*        T   1  -3.585  22.139 -17.216
  717    H4*    T   1           H4*        T   1  -3.948  23.049 -14.823
  718    H3*    T   1           H3*        T   1  -3.144  20.306 -15.580
  719   1H2*    T   1          1H2*        T   1  -4.601  19.332 -14.120
  720   2H2*    T   1          2H2*        T   1  -3.581  19.954 -12.800
  721    H1*    T   1           H1*        T   1  -4.846  21.989 -12.645
  722    H3     T   1           H3         T   1  -8.187  20.401  -9.955
  723   1H5M    T   1          1H5M        T   1  -9.976  17.816 -13.403
  724   2H5M    T   1          2H5M        T   1 -10.021  19.186 -14.529
  725   3H5M    T   1          3H5M        T   1  -8.770  17.930 -14.694
  726    H6     T   1           H6         T   1  -7.040  19.673 -14.562
  727    H5T    T   1           H5T        T   1  -6.027  20.995 -16.394
  728   1H5*    T   2          1H5*        T   2  -1.895  22.186 -11.615
  729   2H5*    T   2          2H5*        T   2  -0.230  21.795 -11.154
  730    H4*    T   2           H4*        T   2  -1.725  21.587  -9.208
  731    H3*    T   2           H3*        T   2  -0.498  19.086 -10.327
  732   1H2*    T   2          1H2*        T   2  -2.137  17.806  -9.621
  733   2H2*    T   2          2H2*        T   2  -1.926  18.352  -7.928
  734    H1*    T   2           H1*        T   2  -3.473  20.069  -8.164
  735    H3     T   2           H3         T   2  -7.460  17.864  -8.197
  736   1H5M    T   2          1H5M        T   2  -4.962  16.865 -12.942
  737   2H5M    T   2          2H5M        T   2  -6.003  15.638 -12.193
  738   3H5M    T   2          3H5M        T   2  -6.724  17.087 -12.906
  739    H6     T   2           H6         T   2  -3.823  18.114 -11.323
  740   1H5*    G   3          1H5*        G   3  -0.234  19.639  -5.667
  741   2H5*    G   3          2H5*        G   3   1.172  18.756  -5.040
  742    H4*    G   3           H4*        G   3  -0.926  18.396  -3.777
  743    H3*    G   3           H3*        G   3   0.883  16.438  -4.209
  744   1H2*    G   3          1H2*        G   3  -0.297  15.621  -6.230
  745   2H2*    G   3          2H2*        G   3  -0.901  14.490  -4.984
  746    H1*    G   3           H1*        G   3  -2.758  15.975  -4.455
  747    H8     G   3           H8         G   3  -1.577  15.393  -8.094
  748    H1     G   3           H1         G   3  -7.893  14.845  -7.069
  749   1H2     G   3           H21        G   3  -8.278  15.248  -4.811
  750   2H2     G   3           H22        G   3  -6.967  15.803  -3.796
  751   1H5*    G   4          1H5*        G   4  -2.265  16.475  -0.865
  752   2H5*    G   4          2H5*        G   4  -1.652  15.640   0.576
  753    H4*    G   4           H4*        G   4  -4.120  15.682   0.511
  754    H3*    G   4           H3*        G   4  -2.626  13.405   1.026
  755   1H2*    G   4          1H2*        G   4  -2.839  12.489  -1.159
  756   2H2*    G   4          2H2*        G   4  -4.265  11.719  -0.417
  757    H1*    G   4           H1*        G   4  -5.716  13.443  -1.216
  758    H8     G   4           H8         G   4  -2.495  13.513  -3.454
  759    H1     G   4           H1         G   4  -7.829  11.527  -6.428
  760   1H2     G   4           H21        G   4  -9.451  11.168  -4.815
  761   2H2     G   4           H22        G   4  -9.194  11.761  -3.186
  762   1H5*    A   5          1H5*        A   5  -7.212  12.451   0.981
  763   2H5*    A   5          2H5*        A   5  -7.616  11.350   2.317
  764    H4*    A   5           H4*        A   5  -8.682  10.627   0.236
  765    H3*    A   5           H3*        A   5  -6.890   8.887   1.744
  766   1H2*    A   5          1H2*        A   5  -5.488   8.612  -0.086
  767   2H2*    A   5          2H2*        A   5  -6.689   7.390  -0.580
  768    H1*    A   5           H1*        A   5  -7.957   9.072  -1.822
  769    H8     A   5           H8         A   5  -4.105   9.749  -1.730
  770   1H6     A   5           H61        A   5  -4.492   9.147  -7.905
  771   2H6     A   5           H62        A   5  -3.379   9.480  -6.587
  772    H2     A   5           H2         A   5  -8.464   8.290  -6.193
  773   1H5*    T   6          1H5*        T   6 -10.784   7.426  -0.660
  774   2H5*    T   6          2H5*        T   6 -11.424   6.016   0.209
  775    H4*    T   6           H4*        T   6 -11.864   5.867  -2.227
  776    H3*    T   6           H3*        T   6 -10.617   3.823  -0.658
  777   1H2*    T   6          1H2*        T   6  -8.600   3.977  -1.671
  778   2H2*    T   6          2H2*        T   6  -9.332   2.884  -2.866
  779    H1*    T   6           H1*        T   6 -10.077   4.736  -4.240
  780    H3     T   6           H3         T   6  -6.351   5.568  -6.752
  781   1H5M    T   6          1H5M        T   6  -4.845   6.753  -1.808
  782   2H5M    T   6          2H5M        T   6  -4.450   5.031  -1.932
  783   3H5M    T   6          3H5M        T   6  -3.666   6.211  -3.003
  784    H6     T   6           H6         T   6  -7.195   5.558  -2.018
  785   1H5*    G   7          1H5*        G   7 -12.884   2.209  -4.916
  786   2H5*    G   7          2H5*        G   7 -13.231   0.508  -4.541
  787    H4*    G   7           H4*        G   7 -12.508   0.836  -6.886
  788    H3*    G   7           H3*        G   7 -11.205  -1.061  -5.071
  789   1H2*    G   7          1H2*        G   7  -9.134  -0.241  -5.419
  790   2H2*    G   7          2H2*        G   7  -9.178  -1.049  -6.994
  791    H1*    G   7           H1*        G   7  -9.944   0.930  -8.125
  792    H8     G   7           H8         G   7  -8.572   2.178  -4.750
  793    H1     G   7           H1         G   7  -4.255   2.468  -9.459
  794   1H2     G   7           H21        G   7  -5.221   1.861 -11.427
  795   2H2     G   7           H22        G   7  -6.894   1.330 -11.451
  796   1H5*    G   8          1H5*        G   8 -10.837  -1.199  -9.549
  797   2H5*    G   8          2H5*        G   8 -11.183  -2.812 -10.207
  798    H4*    G   8           H4*        G   8  -9.430  -1.700 -11.507
  799    H3*    G   8           H3*        G   8  -9.153  -4.310 -10.355
  800   1H2*    G   8          1H2*        G   8  -7.520  -3.575  -8.846
  801   2H2*    G   8          2H2*        G   8  -6.424  -3.992 -10.177
  802    H1*    G   8           H1*        G   8  -6.570  -1.698 -11.069
  803    H8     G   8           H8         G   8  -7.058  -1.811  -7.221
  804    H1     G   8           H1         G   8  -1.167  -0.034  -9.073
  805   1H2     G   8           H21        G   8  -1.067  -0.077 -11.379
  806   2H2     G   8           H22        G   8  -2.502  -0.494 -12.306
  807   1H5*    G   9          1H5*        G   9  -6.094  -2.737 -13.697
  808   2H5*    G   9          2H5*        G   9  -6.183  -4.019 -14.919
  809    H4*    G   9           H4*        G   9  -4.023  -3.026 -15.070
  810    H3*    G   9           H3*        G   9  -4.347  -5.793 -14.678
  811   1H2*    G   9          1H2*        G   9  -3.748  -5.613 -12.383
  812   2H2*    G   9          2H2*        G   9  -2.183  -6.060 -13.119
  813    H1*    G   9           H1*        G   9  -1.584  -3.701 -13.311
  814    H8     G   9           H8         G   9  -4.002  -4.140 -10.240
  815    H1     G   9           H1         G   9   1.917  -2.162  -8.775
  816   1H2     G   9           H21        G   9   3.149  -1.969 -10.731
  817   2H2     G   9           H22        G   9   2.389  -2.317 -12.273
  818   1H5*    A  10          1H5*        A  10   0.340  -4.301 -15.856
  819   2H5*    A  10          2H5*        A  10   0.811  -5.632 -16.934
  820    H4*    A  10           H4*        A  10   2.728  -4.944 -15.634
  821    H3*    A  10           H3*        A  10   1.646  -7.691 -15.400
  822   1H2*    A  10          1H2*        A  10   1.758  -7.660 -13.139
  823   2H2*    A  10          2H2*        A  10   3.518  -7.786 -13.297
  824    H1*    A  10           H1*        A  10   3.787  -5.379 -13.196
  825    H8     A  10           H8         A  10   0.310  -6.225 -11.688
  826   1H6     A  10           H61        A  10   2.570  -4.696  -6.213
  827   2H6     A  10           H62        A  10   1.198  -5.212  -7.168
  828    H2     A  10           H2         A  10   5.879  -4.175  -9.233
  829   1H5*    G  11          1H5*        G  11   5.750  -6.297 -14.854
  830   2H5*    G  11          2H5*        G  11   7.100  -7.296 -15.421
  831    H4*    G  11           H4*        G  11   7.481  -6.127 -13.234
  832    H3*    G  11           H3*        G  11   8.068  -8.884 -13.788
  833   1H2*    G  11          1H2*        G  11   6.448  -9.629 -12.199
  834   2H2*    G  11          2H2*        G  11   7.844  -9.425 -11.097
  835    H1*    G  11           H1*        G  11   7.186  -7.087 -10.680
  836    H8     G  11           H8         G  11   3.900  -9.126 -11.379
  837    H1     G  11           H1         G  11   4.887  -7.358  -5.270
  838   1H2     G  11           H21        G  11   6.996  -6.444  -5.139
  839   2H2     G  11           H22        G  11   7.896  -6.103  -6.602
  840   1H5*    A  12          1H5*        A  12  10.938  -5.890 -11.413
  841   2H5*    A  12          2H5*        A  12  12.600  -6.349 -11.831
  842    H4*    A  12           H4*        A  12  12.426  -5.239  -9.624
  843    H3*    A  12           H3*        A  12  13.981  -7.470 -10.048
  844   1H2*    A  12          1H2*        A  12  12.334  -9.045  -9.344
  845   2H2*    A  12          2H2*        A  12  13.211  -8.830  -7.821
  846    H1*    A  12           H1*        A  12  11.663  -7.203  -7.015
  847    H8     A  12           H8         A  12   9.977  -9.349  -9.836
  848   1H6     A  12           H61        A  12   5.698 -10.712  -5.703
  849   2H6     A  12           H62        A  12   6.327 -10.949  -7.333
  850    H2     A  12           H2         A  12   8.829  -8.254  -3.618
  851   1H5*    C  13          1H5*        C  13  13.589  -6.007  -5.535
  852   2H5*    C  13          2H5*        C  13  15.180  -6.074  -4.749
  853    H4*    C  13           H4*        C  13  13.335  -6.753  -3.238
  854    H3*    C  13           H3*        C  13  15.721  -8.333  -3.704
  855   1H2*    C  13          1H2*        C  13  14.539 -10.172  -4.452
  856   2H2*    C  13          2H2*        C  13  14.273 -10.486  -2.725
  857    H1*    C  13           H1*        C  13  12.194  -9.234  -2.727
  858   1H4     C  13           H41        C  13   9.561 -12.904  -7.694
  859   2H4     C  13           H42        C  13   8.523 -13.076  -6.299
  860    H5     C  13           H5         C  13  11.714 -11.701  -7.586
  861    H6     C  13           H6         C  13  13.099 -10.312  -6.184
  862   1H5*    C  14          1H5*        C  14  13.131  -9.137   0.017
  863   2H5*    C  14          2H5*        C  14  14.018  -9.687   1.453
  864    H4*    C  14           H4*        C  14  11.965 -11.036   0.880
  865    H3*    C  14           H3*        C  14  14.660 -12.322   1.099
  866   1H2*    C  14          1H2*        C  14  14.084 -13.903  -0.419
  867   2H2*    C  14          2H2*        C  14  12.727 -14.416   0.618
  868    H1*    C  14           H1*        C  14  11.190 -12.953  -0.372
  869   1H4     C  14           H41        C  14  12.632 -14.688  -6.654
  870   2H4     C  14           H42        C  14  11.048 -15.332  -6.243
  871    H5     C  14           H5         C  14  14.028 -13.513  -4.969
  872    H6     C  14           H6         C  14  14.038 -12.701  -2.653
  873   1H5*    G  15          1H5*        G  15  10.911 -14.382   2.729
  874   2H5*    G  15          2H5*        G  15  11.222 -15.348   4.186
  875    H4*    G  15           H4*        G  15   9.862 -16.594   2.567
  876    H3*    G  15           H3*        G  15  12.492 -17.636   3.444
  877   1H2*    G  15          1H2*        G  15  13.122 -18.113   1.282
  878   2H2*    G  15          2H2*        G  15  11.973 -19.478   1.411
  879    H1*    G  15           H1*        G  15  10.169 -18.128   0.509
  880    H8     G  15           H8         G  15  13.665 -16.851  -0.722
  881    H1     G  15           H1         G  15   9.694 -18.831  -5.373
  882   1H2     G  15           H21        G  15   7.783 -19.679  -4.400
  883   2H2     G  15           H22        G  15   7.583 -19.615  -2.663
  884    H3T    G  15           H3T        G  15  10.488 -18.329   4.275
  885   1H5*    C  16          1H5*        C  16   5.897 -23.317 -11.596
  886   2H5*    C  16          2H5*        C  16   4.310 -22.622 -11.986
  887    H4*    C  16           H4*        C  16   4.871 -23.043  -9.467
  888    H3*    C  16           H3*        C  16   3.496 -20.766 -10.648
  889   1H2*    C  16          1H2*        C  16   4.970 -19.221  -9.855
  890   2H2*    C  16          2H2*        C  16   4.165 -19.450  -8.280
  891    H1*    C  16           H1*        C  16   5.738 -21.146  -7.619
  892   1H4     C  16           H41        C  16  11.126 -17.351  -8.841
  893   2H4     C  16           H42        C  16  11.140 -17.744  -7.134
  894    H5     C  16           H5         C  16   9.268 -17.953 -10.316
  895    H6     C  16           H6         C  16   7.217 -19.201 -10.456
  896    H5T    C  16           H5T        C  16   6.653 -21.133 -11.501
  897   1H5*    G  17          1H5*        G  17   2.886 -21.397  -5.864
  898   2H5*    G  17          2H5*        G  17   1.174 -21.069  -5.541
  899    H4*    G  17           H4*        G  17   2.546 -19.957  -3.877
  900    H3*    G  17           H3*        G  17   0.637 -18.483  -5.411
  901   1H2*    G  17          1H2*        G  17   2.379 -17.378  -6.612
  902   2H2*    G  17          2H2*        G  17   2.209 -16.222  -5.265
  903    H1*    G  17           H1*        G  17   3.861 -17.484  -3.925
  904    H8     G  17           H8         G  17   4.431 -17.192  -7.750
  905    H1     G  17           H1         G  17   9.426 -15.517  -4.085
  906   1H2     G  17           H21        G  17   8.781 -15.754  -1.853
  907   2H2     G  17           H22        G  17   7.194 -16.379  -1.464
  908   1H5*    G  18          1H5*        G  18   1.567 -17.805  -0.813
  909   2H5*    G  18          2H5*        G  18   0.183 -16.986  -0.067
  910    H4*    G  18           H4*        G  18   2.262 -16.633   1.199
  911    H3*    G  18           H3*        G  18   0.520 -14.576   0.603
  912   1H2*    G  18          1H2*        G  18   1.705 -13.850  -1.302
  913   2H2*    G  18          2H2*        G  18   2.428 -12.764  -0.094
  914    H1*    G  18           H1*        G  18   4.323 -14.209   0.222
  915    H8     G  18           H8         G  18   2.673 -15.098  -3.198
  916    H1     G  18           H1         G  18   8.444 -12.370  -3.767
  917   1H2     G  18           H21        G  18   9.184 -11.759  -1.671
  918   2H2     G  18           H22        G  18   8.307 -12.270  -0.241
  919   1H5*    T  19          1H5*        T  19   4.495 -13.380   3.025
  920   2H5*    T  19          2H5*        T  19   3.989 -12.301   4.338
  921    H4*    T  19           H4*        T  19   6.229 -11.748   3.445
  922    H3*    T  19           H3*        T  19   4.167  -9.851   3.914
  923   1H2*    T  19          1H2*        T  19   3.798  -9.449   1.652
  924   2H2*    T  19          2H2*        T  19   5.092  -8.263   1.879
  925    H1*    T  19           H1*        T  19   6.812  -9.866   1.241
  926    H3     T  19           H3         T  19   6.704  -9.677  -3.370
  927   1H5M    T  19          1H5M        T  19   2.204 -10.547  -3.499
  928   2H5M    T  19          2H5M        T  19   2.231 -11.964  -2.441
  929   3H5M    T  19          3H5M        T  19   1.677 -10.396  -1.808
  930    H6     T  19           H6         T  19   3.450 -10.783  -0.024
  931   1H5*    C  20          1H5*        C  20   8.283  -8.149   2.713
  932   2H5*    C  20          2H5*        C  20   8.692  -6.565   3.406
  933    H4*    C  20           H4*        C  20   9.003  -6.787   0.910
  934    H3*    C  20           H3*        C  20   7.338  -4.626   2.124
  935   1H2*    C  20          1H2*        C  20   5.884  -4.658   0.385
  936   2H2*    C  20          2H2*        C  20   7.209  -4.165  -0.705
  937    H1*    C  20           H1*        C  20   7.824  -6.413  -1.173
  938   1H4     C  20           H41        C  20   1.574  -7.761  -3.232
  939   2H4     C  20           H42        C  20   2.619  -7.678  -4.636
  940    H5     C  20           H5         C  20   2.439  -7.314  -0.940
  941    H6     C  20           H6         C  20   4.416  -6.738   0.322
  942   1H5*    T  21          1H5*        T  21  10.646  -4.067  -1.269
  943   2H5*    T  21          2H5*        T  21  11.338  -2.436  -1.173
  944    H4*    T  21           H4*        T  21  11.112  -3.291  -3.505
  945    H3*    T  21           H3*        T  21  10.232  -0.700  -2.613
  946   1H2*    T  21          1H2*        T  21   8.007  -1.097  -3.083
  947   2H2*    T  21          2H2*        T  21   8.463  -0.665  -4.747
  948    H1*    T  21           H1*        T  21   8.947  -2.972  -5.312
  949    H3     T  21           H3         T  21   4.758  -4.380  -6.449
  950   1H5M    T  21          1H5M        T  21   4.681  -3.067  -1.140
  951   2H5M    T  21          2H5M        T  21   3.341  -2.630  -2.224
  952   3H5M    T  21          3H5M        T  21   3.581  -4.315  -1.774
  953    H6     T  21           H6         T  21   6.681  -2.744  -2.360
  954   1H5*    C  22          1H5*        C  22  10.581  -1.100  -7.418
  955   2H5*    C  22          2H5*        C  22  11.031   0.499  -8.049
  956    H4*    C  22           H4*        C  22   9.153  -0.447  -9.303
  957    H3*    C  22           H3*        C  22   8.576   1.983  -7.615
  958   1H2*    C  22          1H2*        C  22   6.397   1.543  -7.627
  959   2H2*    C  22          2H2*        C  22   6.337   1.361  -9.402
  960    H1*    C  22           H1*        C  22   6.800  -0.942  -9.349
  961   1H4     C  22           H41        C  22   2.234  -2.217  -4.734
  962   2H4     C  22           H42        C  22   1.455  -2.435  -6.284
  963    H5     C  22           H5         C  22   4.323  -0.908  -4.512
  964    H6     C  22           H6         C  22   6.321  -0.301  -5.736
  965   1H5*    C  23          1H5*        C  23   7.119   2.104 -12.072
  966   2H5*    C  23          2H5*        C  23   6.838   3.791 -12.577
  967    H4*    C  23           H4*        C  23   4.955   2.263 -13.084
  968    H3*    C  23           H3*        C  23   4.459   4.524 -11.136
  969   1H2*    C  23          1H2*        C  23   2.351   3.772 -10.837
  970   2H2*    C  23          2H2*        C  23   2.168   3.176 -12.521
  971    H1*    C  23           H1*        C  23   2.893   1.112 -12.077
  972   1H4     C  23           H41        C  23   0.843   0.637  -5.678
  973   2H4     C  23           H42        C  23  -0.329  -0.109  -6.724
  974    H5     C  23           H5         C  23   2.780   1.906  -6.696
  975    H6     C  23           H6         C  23   3.862   2.469  -8.796
  976   1H5*    C  24          1H5*        C  24   2.360   3.589 -14.956
  977   2H5*    C  24          2H5*        C  24   1.972   5.024 -15.923
  978    H4*    C  24           H4*        C  24   0.269   3.242 -16.136
  979    H3*    C  24           H3*        C  24  -0.259   5.983 -15.601
  980   1H2*    C  24          1H2*        C  24  -1.111   5.666 -13.466
  981   2H2*    C  24          2H2*        C  24  -2.610   5.256 -14.341
  982    H1*    C  24           H1*        C  24  -2.189   2.929 -14.245
  983   1H4     C  24           H41        C  24  -0.803   2.860  -7.700
  984   2H4     C  24           H42        C  24  -2.492   2.455  -7.808
  985    H5     C  24           H5         C  24   0.427   3.750  -9.572
  986    H6     C  24           H6         C  24   0.357   4.261 -11.936
  987   1H5*    A  25          1H5*        A  25  -3.942   3.368 -16.331
  988   2H5*    A  25          2H5*        A  25  -4.900   4.052 -17.663
  989    H4*    A  25           H4*        A  25  -6.375   3.206 -15.910
  990    H3*    A  25           H3*        A  25  -6.455   5.902 -16.908
  991   1H2*    A  25          1H2*        A  25  -5.868   6.859 -14.876
  992   2H2*    A  25          2H2*        A  25  -7.610   6.700 -14.532
  993    H1*    A  25           H1*        A  25  -7.273   4.580 -13.419
  994    H8     A  25           H8         A  25  -3.964   6.672 -13.397
  995   1H6     A  25           H61        A  25  -4.126   6.184  -7.272
  996   2H6     A  25           H62        A  25  -3.249   6.728  -8.695
  997    H2     A  25           H2         A  25  -7.975   4.508  -8.881
  998   1H5*    T  26          1H5*        T  26  -9.895   4.246 -14.442
  999   2H5*    T  26          2H5*        T  26 -11.511   4.827 -14.899
 1000    H4*    T  26           H4*        T  26 -11.099   4.861 -12.442
 1001    H3*    T  26           H3*        T  26 -11.696   7.401 -13.938
 1002   1H2*    T  26          1H2*        T  26 -10.590   8.650 -12.420
 1003   2H2*    T  26          2H2*        T  26 -11.605   8.003 -11.106
 1004    H1*    T  26           H1*        T  26 -10.175   6.223 -10.640
 1005    H3     T  26           H3         T  26  -7.003   8.444  -8.257
 1006   1H5M    T  26          1H5M        T  26  -4.703   9.341 -12.262
 1007   2H5M    T  26          2H5M        T  26  -5.923   9.111 -13.527
 1008   3H5M    T  26          3H5M        T  26  -5.917  10.600 -12.554
 1009    H6     T  26           H6         T  26  -8.076   8.251 -12.925
 1010   1H5*    C  27          1H5*        C  27 -13.483   6.112 -10.024
 1011   2H5*    C  27          2H5*        C  27 -15.173   6.588  -9.756
 1012    H4*    C  27           H4*        C  27 -13.768   6.877  -7.731
 1013    H3*    C  27           H3*        C  27 -15.393   8.980  -8.911
 1014   1H2*    C  27          1H2*        C  27 -13.608  10.428  -9.148
 1015   2H2*    C  27          2H2*        C  27 -13.841  10.735  -7.410
 1016    H1*    C  27           H1*        C  27 -12.274   8.984  -6.812
 1017   1H4     C  27           H41        C  27  -7.396  12.008 -10.319
 1018   2H4     C  27           H42        C  27  -6.876  11.915  -8.657
 1019    H5     C  27           H5         C  27  -9.569  11.102 -11.074
 1020    H6     C  27           H6         C  27 -11.630  10.096 -10.332
 1021   1H5*    C  28          1H5*        C  28 -14.211   9.611  -4.459
 1022   2H5*    C  28          2H5*        C  28 -15.499  10.451  -3.566
 1023    H4*    C  28           H4*        C  28 -13.333  11.552  -3.222
 1024    H3*    C  28           H3*        C  28 -15.359  13.085  -4.873
 1025   1H2*    C  28          1H2*        C  28 -13.781  14.522  -5.558
 1026   2H2*    C  28          2H2*        C  28 -13.061  14.684  -3.929
 1027    H1*    C  28           H1*        C  28 -11.594  12.967  -4.186
 1028   1H4     C  28           H41        C  28  -9.803  14.238 -10.502
 1029   2H4     C  28           H42        C  28  -8.471  14.723  -9.478
 1030    H5     C  28           H5         C  28 -11.964  13.453  -9.597
 1031    H6     C  28           H6         C  28 -13.160  12.937  -7.543
 1032   1H5*    A  29          1H5*        A  29 -13.336  14.612  -1.111
 1033   2H5*    A  29          2H5*        A  29 -14.355  15.699  -0.150
 1034    H4*    A  29           H4*        A  29 -11.954  16.367  -0.259
 1035    H3*    A  29           H3*        A  29 -14.141  18.124  -0.503
 1036   1H2*    A  29          1H2*        A  29 -13.914  18.363  -2.826
 1037   2H2*    A  29          2H2*        A  29 -12.857  19.705  -2.331
 1038    H1*    A  29           H1*        A  29 -10.885  18.307  -2.434
 1039    H8     A  29           H8         A  29 -13.810  17.387  -4.848
 1040   1H6     A  29           H61        A  29  -9.543  17.234  -9.310
 1041   2H6     A  29           H62        A  29 -11.243  17.074  -8.888
 1042    H2     A  29           H2         A  29  -7.500  18.359  -5.475
 1043   1H5*    A  30          1H5*        A  30  -9.657  19.599  -0.004
 1044   2H5*    A  30          2H5*        A  30  -9.612  21.076   0.979
 1045    H4*    A  30           H4*        A  30  -7.857  21.051  -0.752
 1046    H3*    A  30           H3*        A  30  -9.691  23.240  -0.360
 1047   1H2*    A  30          1H2*        A  30 -10.691  22.986  -2.457
 1048   2H2*    A  30          2H2*        A  30  -9.297  23.983  -2.974
 1049    H1*    A  30           H1*        A  30  -7.996  21.989  -3.485
 1050    H8     A  30           H8         A  30 -11.835  21.261  -3.777
 1051   1H6     A  30           H61        A  30 -10.677  20.023  -9.689
 1052   2H6     A  30           H62        A  30 -11.891  20.193  -8.424
 1053    H2     A  30           H2         A  30  -6.833  21.349  -7.799
 1054    H3T    A  30           H3T        A  30  -7.165  23.064  -1.666
   
  No H/Q in entry =        1054
  Start of MODEL    6
    1    H    MET   1           H        MET   1   4.322 -14.380 -12.185
    2    HA   MET   1           HA       MET   1   5.638 -16.535 -10.975
    3   1HB   MET   1          2HB       MET   1   3.802 -14.885  -9.182
    4   2HB   MET   1          3HB       MET   1   4.068 -16.603  -8.912
    5   1HG   MET   1          2HG       MET   1   5.532 -15.330  -7.479
    6   2HG   MET   1          3HG       MET   1   6.433 -16.323  -8.610
    7   1HE   MET   1          1HE       MET   1   4.806 -12.816  -9.439
    8   2HE   MET   1          2HE       MET   1   5.347 -12.598  -7.753
    9   3HE   MET   1          3HE       MET   1   6.153 -11.728  -9.080
   10    H    LYS  11           H        LYS  11   3.568 -18.128 -10.295
   11    HA   LYS  11           HA       LYS  11   2.344 -18.686 -12.761
   12   1HB   LYS  11          2HB       LYS  11   2.713 -20.350 -11.026
   13   2HB   LYS  11          3HB       LYS  11   1.539 -19.562  -9.957
   14   1HG   LYS  11          2HG       LYS  11  -0.293 -20.055 -11.462
   15   2HG   LYS  11          3HG       LYS  11   0.799 -20.660 -12.716
   16   1HD   LYS  11          2HD       LYS  11   0.588 -21.923  -9.948
   17   2HD   LYS  11          3HD       LYS  11  -0.460 -22.381 -11.297
   18   1HE   LYS  11          2HE       LYS  11   1.503 -23.014 -12.663
   19   2HE   LYS  11          3HE       LYS  11   2.588 -22.580 -11.327
   20   1HZ   LYS  11          3HZ       LYS  11   0.514 -24.646 -11.198
   21   2HZ   LYS  11          1HZ       LYS  11   2.130 -24.908 -11.397
   22   3HZ   LYS  11          2HZ       LYS  11   1.575 -24.234  -9.999
   23    H    ARG  12           H        ARG  12   0.502 -17.989 -13.750
   24    HA   ARG  12           HA       ARG  12  -0.927 -15.750 -12.611
   25   1HB   ARG  12          2HB       ARG  12  -1.136 -17.270 -15.204
   26   2HB   ARG  12          3HB       ARG  12  -2.410 -16.185 -14.675
   27   1HG   ARG  12          2HG       ARG  12  -0.898 -15.075 -16.207
   28   2HG   ARG  12          3HG       ARG  12  -0.988 -14.279 -14.636
   29   1HD   ARG  12          2HD       ARG  12   1.160 -15.270 -13.984
   30   2HD   ARG  12          3HD       ARG  12   1.265 -16.118 -15.544
   31    HE   ARG  12           HE       ARG  12   0.915 -13.531 -16.306
   32   1HH1  ARG  12          1HH2      ARG  12   3.246 -15.009 -14.042
   33   2HH1  ARG  12          2HH2      ARG  12   4.510 -13.878 -14.454
   34   1HH2  ARG  12          1HH1      ARG  12   2.511 -11.998 -16.692
   35   2HH2  ARG  12          2HH1      ARG  12   4.038 -12.044 -15.869
   36    H    TYR  13           H        TYR  13  -2.563 -15.828 -11.278
   37    HA   TYR  13           HA       TYR  13  -4.015 -18.283 -10.603
   38   1HB   TYR  13          2HB       TYR  13  -4.287 -15.353  -9.755
   39   2HB   TYR  13          3HB       TYR  13  -5.251 -16.689  -9.130
   40    HD1  TYR  13           HD2      TYR  13  -1.625 -15.638  -9.449
   41    HD2  TYR  13           HD1      TYR  13  -4.648 -17.668  -7.124
   42    HE1  TYR  13           HE2      TYR  13   0.046 -16.157  -7.718
   43    HE2  TYR  13           HE1      TYR  13  -3.007 -18.019  -5.318
   44    HH   TYR  13           HH       TYR  13  -0.645 -18.181  -4.935
   45    H    ILE  14           H        ILE  14  -5.825 -18.858 -11.785
   46    HA   ILE  14           HA       ILE  14  -6.845 -16.985 -13.812
   47    HB   ILE  14           HB       ILE  14  -7.423 -19.937 -13.466
   48   1HG1  ILE  14          2HG1      ILE  14  -5.261 -18.357 -14.888
   49   2HG1  ILE  14          3HG1      ILE  14  -5.081 -19.766 -13.832
   50   1HG2  ILE  14          2HG2      ILE  14  -9.116 -18.664 -14.813
   51   2HG2  ILE  14          3HG2      ILE  14  -7.794 -18.050 -15.833
   52   3HG2  ILE  14          1HG2      ILE  14  -8.194 -19.783 -15.796
   53   1HD1  ILE  14          1HD1      ILE  14  -6.164 -21.136 -15.677
   54   2HD1  ILE  14          2HD1      ILE  14  -6.060 -19.668 -16.701
   55   3HD1  ILE  14          3HD1      ILE  14  -4.587 -20.416 -16.074
   56    H    CYS  15           H        CYS  15  -8.917 -16.302 -13.999
   57    HA   CYS  15           HA       CYS  15 -10.428 -15.851 -11.640
   58   1HB   CYS  15          2HB       CYS  15 -10.411 -14.337 -13.498
   59   2HB   CYS  15          3HB       CYS  15 -11.043 -15.570 -14.591
   60    H    SER  16           H        SER  16 -12.061 -16.896 -10.666
   61    HA   SER  16           HA       SER  16 -12.503 -19.629 -10.982
   62   1HB   SER  16          2HB       SER  16 -14.565 -19.008  -9.515
   63   2HB   SER  16          3HB       SER  16 -12.951 -18.597  -8.910
   64    HG   SER  16           HG       SER  16 -14.925 -16.872  -9.919
   65    H    PHE  17           H        PHE  17 -14.348 -16.861 -12.202
   66    HA   PHE  17           HA       PHE  17 -16.481 -18.443 -13.359
   67   1HB   PHE  17          2HB       PHE  17 -15.740 -15.560 -13.916
   68   2HB   PHE  17          3HB       PHE  17 -17.301 -16.329 -14.163
   69    HD1  PHE  17           HD1      PHE  17 -18.433 -17.376 -12.002
   70    HD2  PHE  17           HD2      PHE  17 -15.284 -14.429 -11.872
   71    HE1  PHE  17           HE1      PHE  17 -18.935 -16.934  -9.615
   72    HE2  PHE  17           HE2      PHE  17 -15.771 -14.019  -9.483
   73    HZ   PHE  17           HZ       PHE  17 -17.597 -15.268  -8.346
   74    H    ALA  18           H        ALA  18 -14.699 -19.821 -14.340
   75    HA   ALA  18           HA       ALA  18 -12.921 -19.810 -16.099
   76   1HB   ALA  18          1HB       ALA  18 -14.221 -21.810 -15.624
   77   2HB   ALA  18          2HB       ALA  18 -15.525 -21.266 -16.699
   78   3HB   ALA  18          3HB       ALA  18 -13.929 -21.672 -17.368
   79    H    ASP  19           H        ASP  19 -16.140 -19.291 -17.599
   80    HA   ASP  19           HA       ASP  19 -15.483 -18.776 -20.190
   81   1HB   ASP  19          2HB       ASP  19 -17.567 -17.278 -18.542
   82   2HB   ASP  19          3HB       ASP  19 -17.536 -17.418 -20.305
   83    H    CYS  20           H        CYS  20 -15.194 -16.472 -17.517
   84    HA   CYS  20           HA       CYS  20 -14.764 -14.061 -18.861
   85   1HB   CYS  20          2HB       CYS  20 -15.124 -14.425 -16.421
   86   2HB   CYS  20          3HB       CYS  20 -13.490 -15.093 -16.309
   87    H    GLY  21           H        GLY  21 -12.519 -16.765 -18.263
   88   1HA   GLY  21          2HA       GLY  21 -10.415 -17.221 -18.973
   89   2HA   GLY  21          3HA       GLY  21 -10.781 -16.197 -20.369
   90    H    ALA  22           H        ALA  22 -10.734 -14.845 -17.103
   91    HA   ALA  22           HA       ALA  22  -8.421 -13.147 -17.835
   92   1HB   ALA  22          1HB       ALA  22 -10.484 -12.097 -16.963
   93   2HB   ALA  22          2HB       ALA  22 -10.289 -12.996 -15.439
   94   3HB   ALA  22          3HB       ALA  22  -9.071 -11.802 -15.941
   95    H    ALA  23           H        ALA  23  -6.474 -13.137 -16.583
   96    HA   ALA  23           HA       ALA  23  -6.221 -14.955 -14.333
   97   1HB   ALA  23          1HB       ALA  23  -5.905 -16.416 -16.353
   98   2HB   ALA  23          2HB       ALA  23  -4.575 -15.356 -16.875
   99   3HB   ALA  23          3HB       ALA  23  -4.443 -16.281 -15.364
  100    H    TYR  24           H        TYR  24  -4.412 -14.343 -13.006
  101    HA   TYR  24           HA       TYR  24  -2.754 -12.074 -13.985
  102   1HB   TYR  24          2HB       TYR  24  -4.466 -12.037 -11.460
  103   2HB   TYR  24          3HB       TYR  24  -3.340 -10.792 -11.947
  104    HD1  TYR  24           HD2      TYR  24  -3.804  -9.325 -13.944
  105    HD2  TYR  24           HD1      TYR  24  -6.638 -12.246 -12.553
  106    HE1  TYR  24           HE2      TYR  24  -5.595  -8.173 -15.195
  107    HE2  TYR  24           HE1      TYR  24  -8.411 -11.153 -13.860
  108    HH   TYR  24           HH       TYR  24  -7.866  -8.028 -15.561
  109    H    ASN  25           H        ASN  25  -0.785 -11.864 -13.061
  110    HA   ASN  25           HA       ASN  25   0.445 -14.155 -12.074
  111   1HB   ASN  25          2HB       ASN  25   2.437 -13.026 -12.170
  112   2HB   ASN  25          3HB       ASN  25   1.440 -12.227 -13.381
  113   1HD2  ASN  25          1HD2      ASN  25   2.606 -10.194  -9.936
  114   2HD2  ASN  25          2HD2      ASN  25   2.527 -11.965  -9.966
  115    H    LYS  26           H        LYS  26  -1.535 -12.486  -9.995
  116    HA   LYS  26           HA       LYS  26  -0.199 -13.656  -7.725
  117   1HB   LYS  26          2HB       LYS  26  -0.121 -10.719  -8.209
  118   2HB   LYS  26          3HB       LYS  26  -0.637 -11.185  -6.601
  119   1HG   LYS  26          2HG       LYS  26   1.997 -12.152  -7.835
  120   2HG   LYS  26          3HG       LYS  26   1.811 -10.698  -6.878
  121   1HD   LYS  26          2HD       LYS  26   2.247 -11.992  -5.086
  122   2HD   LYS  26          3HD       LYS  26   0.575 -12.505  -5.207
  123   1HE   LYS  26          2HE       LYS  26   1.790 -14.485  -5.003
  124   2HE   LYS  26          3HE       LYS  26   1.493 -14.444  -6.736
  125   1HZ   LYS  26          1HZ       LYS  26   3.958 -13.530  -5.438
  126   2HZ   LYS  26          2HZ       LYS  26   3.730 -14.990  -6.164
  127   3HZ   LYS  26          3HZ       LYS  26   3.665 -13.605  -7.066
  128    H    ASN  27           H        ASN  27  -1.431 -13.857  -5.904
  129    HA   ASN  27           HA       ASN  27  -4.159 -14.387  -6.302
  130   1HB   ASN  27          2HB       ASN  27  -2.872 -15.373  -4.444
  131   2HB   ASN  27          3HB       ASN  27  -2.669 -13.777  -3.713
  132   1HD2  ASN  27          1HD2      ASN  27  -6.284 -15.715  -3.396
  133   2HD2  ASN  27          2HD2      ASN  27  -5.067 -16.318  -4.506
  134    H    TRP  28           H        TRP  28  -2.680 -11.618  -4.527
  135    HA   TRP  28           HA       TRP  28  -5.010 -10.166  -3.964
  136   1HB   TRP  28          2HB       TRP  28  -3.617  -8.304  -3.601
  137   2HB   TRP  28          3HB       TRP  28  -2.807  -9.737  -2.992
  138    HD1  TRP  28           HD1      TRP  28  -0.405 -10.200  -3.907
  139    HE1  TRP  28           HE1      TRP  28   1.191  -9.012  -5.558
  140    HE3  TRP  28           HE3      TRP  28  -3.658  -6.769  -5.897
  141    HZ2  TRP  28           HZ2      TRP  28   0.991  -7.027  -7.637
  142    HZ3  TRP  28           HZ3      TRP  28  -2.939  -5.275  -7.714
  143    HH2  TRP  28           HH2      TRP  28  -0.664  -5.470  -8.671
  144    H    LYS  29           H        LYS  29  -2.978 -10.152  -6.892
  145    HA   LYS  29           HA       LYS  29  -4.273  -8.004  -8.226
  146   1HB   LYS  29          2HB       LYS  29  -2.022  -9.080  -8.697
  147   2HB   LYS  29          3HB       LYS  29  -2.888 -10.382  -9.523
  148   1HG   LYS  29          2HG       LYS  29  -3.922  -8.688 -11.029
  149   2HG   LYS  29          3HG       LYS  29  -2.998  -7.411 -10.237
  150   1HD   LYS  29          2HD       LYS  29  -1.500  -9.813 -11.386
  151   2HD   LYS  29          3HD       LYS  29  -2.146  -8.578 -12.467
  152   1HE   LYS  29          2HE       LYS  29   0.036  -7.965 -12.102
  153   2HE   LYS  29          3HE       LYS  29  -0.883  -6.854 -11.059
  154   1HZ   LYS  29          2HZ       LYS  29   0.568  -9.281 -10.249
  155   2HZ   LYS  29          3HZ       LYS  29   1.027  -7.723  -9.973
  156   3HZ   LYS  29          1HZ       LYS  29  -0.309  -8.324  -9.225
  157    H    LEU  30           H        LEU  30  -4.766 -11.603  -8.417
  158    HA   LEU  30           HA       LEU  30  -7.007 -11.369 -10.124
  159   1HB   LEU  30          2HB       LEU  30  -5.858 -13.491  -9.882
  160   2HB   LEU  30          3HB       LEU  30  -6.241 -13.539  -8.154
  161    HG   LEU  30           HG       LEU  30  -8.666 -13.664  -8.693
  162   1HD1  LEU  30          1HD1      LEU  30  -8.578 -12.558 -10.982
  163   2HD1  LEU  30          2HD1      LEU  30  -7.792 -14.026 -11.598
  164   3HD1  LEU  30          3HD1      LEU  30  -9.444 -14.075 -10.956
  165   1HD2  LEU  30          1HD2      LEU  30  -7.309 -15.693  -8.335
  166   2HD2  LEU  30          2HD2      LEU  30  -8.704 -15.957  -9.405
  167   3HD2  LEU  30          3HD2      LEU  30  -7.082 -15.807 -10.099
  168    H    GLN  31           H        GLN  31  -6.725 -11.184  -6.536
  169    HA   GLN  31           HA       GLN  31  -9.508 -11.343  -5.971
  170   1HB   GLN  31          2HB       GLN  31  -7.438  -9.679  -4.486
  171   2HB   GLN  31          3HB       GLN  31  -9.059 -10.055  -3.970
  172   1HG   GLN  31          2HG       GLN  31  -6.618 -11.790  -3.965
  173   2HG   GLN  31          3HG       GLN  31  -7.856 -11.615  -2.755
  174   1HE2  GLN  31          1HE2      GLN  31  -8.150 -14.519  -5.630
  175   2HE2  GLN  31          2HE2      GLN  31  -6.884 -13.287  -5.682
  176    H    ALA  32           H        ALA  32  -7.469  -8.502  -6.739
  177    HA   ALA  32           HA       ALA  32  -9.578  -6.587  -6.602
  178   1HB   ALA  32          3HB       ALA  32  -7.161  -6.019  -6.754
  179   2HB   ALA  32          1HB       ALA  32  -7.122  -6.612  -8.429
  180   3HB   ALA  32          2HB       ALA  32  -8.099  -5.189  -8.016
  181    H    HIS  33           H        HIS  33  -8.534  -8.653  -9.375
  182    HA   HIS  33           HA       HIS  33 -10.535  -7.616 -11.148
  183   1HB   HIS  33          2HB       HIS  33  -8.742  -8.939 -12.009
  184   2HB   HIS  33          3HB       HIS  33  -9.200 -10.326 -11.023
  185    HD1  HIS  33           HD1      HIS  33  -9.899  -8.853 -14.377
  186    HD2  HIS  33           HD2      HIS  33 -11.560 -11.615 -11.674
  187    HE1  HIS  33           HE1      HIS  33 -11.714 -10.118 -15.644
  188    H    LEU  34           H        LEU  34 -10.645 -10.498  -8.981
  189    HA   LEU  34           HA       LEU  34 -13.282 -11.258  -9.532
  190   1HB   LEU  34          2HB       LEU  34 -11.695 -11.581  -6.978
  191   2HB   LEU  34          3HB       LEU  34 -13.241 -12.363  -7.276
  192    HG   LEU  34           HG       LEU  34 -10.833 -12.797  -9.067
  193   1HD1  LEU  34          3HD1      LEU  34 -11.891 -14.472  -6.745
  194   2HD1  LEU  34          1HD1      LEU  34 -10.601 -14.963  -7.860
  195   3HD1  LEU  34          2HD1      LEU  34 -10.355 -13.583  -6.773
  196   1HD2  LEU  34          1HD2      LEU  34 -13.454 -14.319  -8.768
  197   2HD2  LEU  34          2HD2      LEU  34 -12.972 -13.344 -10.174
  198   3HD2  LEU  34          3HD2      LEU  34 -12.083 -14.814  -9.777
  199    H    SER  35           H        SER  35 -12.166  -8.652  -7.367
  200    HA   SER  35           HA       SER  35 -14.565  -8.338  -5.942
  201   1HB   SER  35          2HB       SER  35 -13.939  -6.179  -5.374
  202   2HB   SER  35          3HB       SER  35 -12.413  -7.066  -5.507
  203    HG   SER  35           HG       SER  35 -12.205  -6.097  -7.616
  204    H    LYS  36           H        LYS  36 -13.884  -7.545  -9.335
  205    HA   LYS  36           HA       LYS  36 -16.070  -5.806  -9.862
  206   1HB   LYS  36          2HB       LYS  36 -14.801  -7.918 -11.656
  207   2HB   LYS  36          3HB       LYS  36 -15.817  -6.582 -12.198
  208   1HG   LYS  36          2HG       LYS  36 -14.175  -4.936 -11.566
  209   2HG   LYS  36          3HG       LYS  36 -13.184  -6.139 -10.727
  210   1HD   LYS  36          2HD       LYS  36 -12.773  -7.353 -12.819
  211   2HD   LYS  36          3HD       LYS  36 -13.764  -6.185 -13.719
  212   1HE   LYS  36          2HE       LYS  36 -12.225  -4.373 -13.159
  213   2HE   LYS  36          3HE       LYS  36 -11.286  -5.444 -12.096
  214   1HZ   LYS  36          1HZ       LYS  36 -11.575  -5.746 -15.002
  215   2HZ   LYS  36          2HZ       LYS  36 -10.246  -5.167 -14.217
  216   3HZ   LYS  36          3HZ       LYS  36 -10.705  -6.736 -14.010
  217    H    HIS  37           H        HIS  37 -15.821  -9.364  -9.777
  218    HA   HIS  37           HA       HIS  37 -18.598  -9.756 -10.693
  219   1HB   HIS  37          2HB       HIS  37 -16.458 -11.676  -9.725
  220   2HB   HIS  37          3HB       HIS  37 -18.036 -12.148 -10.345
  221    HD1  HIS  37           HD1      HIS  37 -18.422 -11.827 -13.017
  222    HD2  HIS  37           HD2      HIS  37 -14.540 -11.584 -11.443
  223    HE1  HIS  37           HE1      HIS  37 -16.823 -12.506 -14.891
  224    H    THR  38           H        THR  38 -16.643 -10.415  -7.805
  225    HA   THR  38           HA       THR  38 -18.875 -11.488  -6.290
  226    HB   THR  38           HB       THR  38 -17.191 -11.878  -4.600
  227    HG1  THR  38          1HG       THR  38 -15.380 -10.484  -6.290
  228   1HG2  THR  38          1HG2      THR  38 -17.228 -13.451  -6.510
  229   2HG2  THR  38          2HG2      THR  38 -15.979 -12.491  -7.335
  230   3HG2  THR  38          3HG2      THR  38 -15.610 -13.283  -5.798
  231    H    GLY  39           H        GLY  39 -17.182  -8.338  -6.352
  232   1HA   GLY  39          2HA       GLY  39 -17.655  -6.408  -5.198
  233   2HA   GLY  39          3HA       GLY  39 -19.045  -7.185  -4.428
  234    H    GLU  40           H        GLU  40 -16.195  -9.150  -4.120
  235    HA   GLU  40           HA       GLU  40 -16.107  -8.610  -1.258
  236   1HB   GLU  40          2HB       GLU  40 -14.523 -10.430  -3.109
  237   2HB   GLU  40          3HB       GLU  40 -14.225 -10.320  -1.374
  238   1HG   GLU  40          2HG       GLU  40 -16.481 -11.044  -0.833
  239   2HG   GLU  40          3HG       GLU  40 -16.951 -11.033  -2.533
  240    H    LYS  41           H        LYS  41 -14.344  -7.903  -0.075
  241    HA   LYS  41           HA       LYS  41 -12.082  -6.572  -1.481
  242   1HB   LYS  41          2HB       LYS  41 -13.540  -5.272   0.842
  243   2HB   LYS  41          3HB       LYS  41 -12.317  -4.596  -0.246
  244   1HG   LYS  41          2HG       LYS  41 -14.086  -4.993  -2.139
  245   2HG   LYS  41          3HG       LYS  41 -15.222  -5.298  -0.809
  246   1HD   LYS  41          2HD       LYS  41 -15.606  -3.064  -1.100
  247   2HD   LYS  41          3HD       LYS  41 -14.296  -2.994   0.096
  248   1HE   LYS  41          2HE       LYS  41 -12.676  -2.804  -1.893
  249   2HE   LYS  41          3HE       LYS  41 -14.098  -2.625  -2.934
  250   1HZ   LYS  41          1HZ       LYS  41 -14.710  -0.710  -1.584
  251   2HZ   LYS  41          2HZ       LYS  41 -13.343  -0.919  -0.671
  252   3HZ   LYS  41          3HZ       LYS  41 -13.213  -0.517  -2.259
  253    HA   PRO  42           HA       PRO  42 -11.149  -9.969   1.551
  254   1HB   PRO  42          2HB       PRO  42  -8.607  -9.674  -0.062
  255   2HB   PRO  42          3HB       PRO  42  -9.316 -11.172   0.617
  256   1HG   PRO  42          2HG       PRO  42  -9.745 -10.516  -1.967
  257   2HG   PRO  42          3HG       PRO  42 -11.137 -11.066  -0.980
  258   1HD   PRO  42          2HD       PRO  42 -10.317  -8.278  -1.756
  259   2HD   PRO  42          3HD       PRO  42 -11.932  -9.021  -1.741
  260    H    PHE  43           H        PHE  43  -9.371  -6.917   1.234
  261    HA   PHE  43           HA       PHE  43  -7.811  -7.553   3.718
  262   1HB   PHE  43          2HB       PHE  43  -7.236  -5.619   1.475
  263   2HB   PHE  43          3HB       PHE  43  -6.295  -5.820   2.932
  264    HD1  PHE  43           HD2      PHE  43  -4.925  -7.834   3.322
  265    HD2  PHE  43           HD1      PHE  43  -7.268  -7.442  -0.278
  266    HE1  PHE  43           HE2      PHE  43  -3.723  -9.749   2.315
  267    HE2  PHE  43           HE1      PHE  43  -6.019  -9.302  -1.300
  268    HZ   PHE  43           HZ       PHE  43  -4.247 -10.476  -0.005
  269    HA   PRO  44           HA       PRO  44 -10.813  -4.267   4.972
  270   1HB   PRO  44          2HB       PRO  44 -11.632  -5.264   7.371
  271   2HB   PRO  44          3HB       PRO  44 -12.316  -5.809   5.813
  272   1HG   PRO  44          2HG       PRO  44 -10.121  -7.134   7.419
  273   2HG   PRO  44          3HG       PRO  44 -11.576  -7.900   6.726
  274   1HD   PRO  44          2HD       PRO  44  -9.156  -7.969   5.467
  275   2HD   PRO  44          3HD       PRO  44 -10.688  -7.814   4.552
  276    H    CYS  45           H        CYS  45 -10.281  -2.546   6.291
  277    HA   CYS  45           HA       CYS  45  -7.580  -2.441   7.337
  278   1HB   CYS  45          2HB       CYS  45  -8.634  -0.674   6.006
  279   2HB   CYS  45          3HB       CYS  45  -9.812  -0.408   7.299
  280    H    LYS  46           H        LYS  46 -10.444  -3.412   8.789
  281    HA   LYS  46           HA       LYS  46 -10.913  -4.110  10.837
  282   1HB   LYS  46          2HB       LYS  46  -8.172  -3.365  11.823
  283   2HB   LYS  46          3HB       LYS  46  -9.323  -4.506  12.507
  284   1HG   LYS  46          2HG       LYS  46  -7.945  -4.764   9.820
  285   2HG   LYS  46          3HG       LYS  46  -7.490  -5.608  11.308
  286   1HD   LYS  46          2HD       LYS  46  -9.825  -6.661  11.281
  287   2HD   LYS  46          3HD       LYS  46 -10.023  -5.975   9.657
  288   1HE   LYS  46          2HE       LYS  46  -7.940  -8.010  10.570
  289   2HE   LYS  46          3HE       LYS  46  -9.265  -8.263   9.426
  290   1HZ   LYS  46          1HZ       LYS  46  -8.148  -6.576   8.008
  291   2HZ   LYS  46          2HZ       LYS  46  -6.884  -6.590   9.051
  292   3HZ   LYS  46          3HZ       LYS  46  -7.276  -7.963   8.233
  293    H    GLU  47           H        GLU  47  -8.968  -1.136  11.163
  294    HA   GLU  47           HA       GLU  47  -9.735  -0.086  13.518
  295   1HB   GLU  47          2HB       GLU  47  -9.367   1.394  10.881
  296   2HB   GLU  47          3HB       GLU  47  -9.439   2.177  12.471
  297   1HG   GLU  47          2HG       GLU  47  -7.502   0.808  13.226
  298   2HG   GLU  47          3HG       GLU  47  -7.354   0.123  11.598
  299    H    GLU  48           H        GLU  48 -11.432   0.769  14.512
  300    HA   GLU  48           HA       GLU  48 -14.066   0.633  13.457
  301   1HB   GLU  48          2HB       GLU  48 -13.069   2.372  15.767
  302   2HB   GLU  48          3HB       GLU  48 -14.726   1.859  15.445
  303   1HG   GLU  48          2HG       GLU  48 -14.248   0.250  16.964
  304   2HG   GLU  48          3HG       GLU  48 -13.579  -0.601  15.571
  305    H    GLY  49           H        GLY  49 -15.349   2.195  12.429
  306   1HA   GLY  49          2HA       GLY  49 -15.906   4.197  11.408
  307   2HA   GLY  49          3HA       GLY  49 -14.506   4.989  12.152
  308    H    CYS  50           H        CYS  50 -12.330   3.918  11.299
  309    HA   CYS  50           HA       CYS  50 -12.226   4.272   8.378
  310   1HB   CYS  50          2HB       CYS  50 -10.584   5.292   9.827
  311   2HB   CYS  50          3HB       CYS  50 -10.143   3.739  10.528
  312    H    GLU  51           H        GLU  51 -13.882   2.131   8.952
  313    HA   GLU  51           HA       GLU  51 -12.359  -0.368   8.826
  314   1HB   GLU  51          2HB       GLU  51 -14.496   0.052  10.145
  315   2HB   GLU  51          3HB       GLU  51 -15.357   0.003   8.594
  316   1HG   GLU  51          2HG       GLU  51 -14.369  -2.285   8.207
  317   2HG   GLU  51          3HG       GLU  51 -13.595  -2.182   9.801
  318    H    LYS  52           H        LYS  52 -11.382   0.864   6.829
  319    HA   LYS  52           HA       LYS  52 -12.879   0.882   4.372
  320   1HB   LYS  52          2HB       LYS  52  -9.885   0.518   4.626
  321   2HB   LYS  52          3HB       LYS  52 -10.771   1.212   3.269
  322   1HG   LYS  52          2HG       LYS  52 -10.294   2.459   6.014
  323   2HG   LYS  52          3HG       LYS  52  -9.621   2.944   4.468
  324   1HD   LYS  52          2HD       LYS  52 -11.964   3.451   3.646
  325   2HD   LYS  52          3HD       LYS  52 -12.557   3.122   5.290
  326   1HE   LYS  52          2HE       LYS  52 -11.020   4.909   6.159
  327   2HE   LYS  52          3HE       LYS  52 -10.529   5.264   4.491
  328   1HZ   LYS  52          2HZ       LYS  52 -12.802   5.812   4.008
  329   2HZ   LYS  52          3HZ       LYS  52 -13.256   5.481   5.559
  330   3HZ   LYS  52          1HZ       LYS  52 -12.233   6.734   5.249
  331    H    GLY  53           H        GLY  53 -12.551  -0.570   2.532
  332   1HA   GLY  53          2HA       GLY  53 -11.896  -3.419   3.217
  333   2HA   GLY  53          3HA       GLY  53 -13.246  -2.921   2.192
  334    H    PHE  54           H        PHE  54  -9.825  -3.543   2.291
  335    HA   PHE  54           HA       PHE  54  -9.431  -2.284  -0.373
  336   1HB   PHE  54          2HB       PHE  54  -7.513  -3.167   1.764
  337   2HB   PHE  54          3HB       PHE  54  -7.009  -2.915   0.104
  338    HD1  PHE  54           HD2      PHE  54  -7.491  -0.717  -1.046
  339    HD2  PHE  54           HD1      PHE  54  -8.185  -1.222   3.162
  340    HE1  PHE  54           HE2      PHE  54  -7.397   1.738  -0.745
  341    HE2  PHE  54           HE1      PHE  54  -8.075   1.237   3.469
  342    HZ   PHE  54           HZ       PHE  54  -7.799   2.720   1.501
  343    H    THR  55           H        THR  55  -8.697  -3.474  -2.181
  344    HA   THR  55           HA       THR  55  -9.423  -6.333  -2.190
  345    HB   THR  55           HB       THR  55  -8.936  -5.801  -4.687
  346    HG1  THR  55          1HG       THR  55  -9.124  -3.534  -5.104
  347   1HG2  THR  55          2HG2      THR  55 -11.220  -6.068  -3.738
  348   2HG2  THR  55          3HG2      THR  55 -11.209  -4.370  -3.221
  349   3HG2  THR  55          1HG2      THR  55 -11.186  -4.772  -4.951
  350    H    SER  56           H        SER  56  -6.532  -4.502  -1.705
  351    HA   SER  56           HA       SER  56  -5.028  -6.993  -2.161
  352   1HB   SER  56          2HB       SER  56  -3.323  -5.960  -3.471
  353   2HB   SER  56          3HB       SER  56  -4.881  -5.631  -4.261
  354    HG   SER  56           HG       SER  56  -4.721  -3.548  -3.659
  355    H    LEU  57           H        LEU  57  -3.187  -7.188  -0.967
  356    HA   LEU  57           HA       LEU  57  -3.085  -5.905   1.544
  357   1HB   LEU  57          2HB       LEU  57  -2.079  -8.127   1.042
  358   2HB   LEU  57          3HB       LEU  57  -0.893  -7.357  -0.012
  359    HG   LEU  57           HG       LEU  57   0.069  -6.164   1.926
  360   1HD1  LEU  57          3HD1      LEU  57  -2.034  -7.680   3.544
  361   2HD1  LEU  57          1HD1      LEU  57  -0.625  -6.855   4.239
  362   3HD1  LEU  57          2HD1      LEU  57  -1.868  -5.913   3.419
  363   1HD2  LEU  57          2HD2      LEU  57  -0.272  -9.159   2.311
  364   2HD2  LEU  57          3HD2      LEU  57   0.922  -8.361   1.270
  365   3HD2  LEU  57          1HD2      LEU  57   1.010  -8.168   3.037
  366    H    HIS  58           H        HIS  58  -1.404  -5.304  -1.563
  367    HA   HIS  58           HA       HIS  58   0.375  -3.296  -0.667
  368   1HB   HIS  58          2HB       HIS  58   0.688  -4.203  -2.857
  369   2HB   HIS  58          3HB       HIS  58  -0.920  -3.778  -3.363
  370    HD1  HIS  58           HD1      HIS  58   1.564  -1.335  -1.676
  371    HD2  HIS  58           HD2      HIS  58  -0.694  -1.937  -5.172
  372    HE1  HIS  58           HE1      HIS  58   1.826   0.777  -3.083
  373    H    HIS  59           H        HIS  59  -3.013  -2.963  -2.006
  374    HA   HIS  59           HA       HIS  59  -2.999  -0.142  -1.711
  375   1HB   HIS  59          2HB       HIS  59  -5.375  -2.011  -1.706
  376   2HB   HIS  59          3HB       HIS  59  -5.419  -0.233  -1.804
  377    HD1  HIS  59           HD1      HIS  59  -2.543  -1.205  -3.766
  378    HD2  HIS  59           HD2      HIS  59  -6.732  -1.120  -4.279
  379    HE1  HIS  59           HE1      HIS  59  -2.970  -1.355  -6.285
  380    HE2  HIS  59           HE2      HIS  59  -5.482  -1.214  -6.612
  381    H    LEU  60           H        LEU  60  -3.885  -2.742   0.591
  382    HA   LEU  60           HA       LEU  60  -4.797  -0.947   2.592
  383   1HB   LEU  60          2HB       LEU  60  -5.131  -3.453   2.568
  384   2HB   LEU  60          3HB       LEU  60  -3.426  -3.640   2.996
  385    HG   LEU  60           HG       LEU  60  -3.860  -2.287   5.090
  386   1HD1  LEU  60          2HD1      LEU  60  -6.776  -2.627   4.230
  387   2HD1  LEU  60          3HD1      LEU  60  -6.197  -2.035   5.806
  388   3HD1  LEU  60          1HD1      LEU  60  -5.925  -1.070   4.376
  389   1HD2  LEU  60          3HD2      LEU  60  -3.850  -4.787   5.064
  390   2HD2  LEU  60          1HD2      LEU  60  -4.925  -4.101   6.299
  391   3HD2  LEU  60          2HD2      LEU  60  -5.610  -4.759   4.805
  392    H    THR  61           H        THR  61  -1.555  -2.210   1.838
  393    HA   THR  61           HA       THR  61  -0.177  -1.094   4.056
  394    HB   THR  61           HB       THR  61   0.916  -1.715   1.293
  395    HG1  THR  61          1HG       THR  61  -0.148  -3.484   2.327
  396   1HG2  THR  61          2HG2      THR  61   2.277  -1.532   4.014
  397   2HG2  THR  61          3HG2      THR  61   3.038  -2.091   2.511
  398   3HG2  THR  61          1HG2      THR  61   2.512  -0.404   2.659
  399    H    ARG  62           H        ARG  62  -0.561   0.200   0.675
  400    HA   ARG  62           HA       ARG  62   0.832   2.600   1.297
  401   1HB   ARG  62          2HB       ARG  62   0.192   3.491  -0.760
  402   2HB   ARG  62          3HB       ARG  62   0.446   1.754  -1.001
  403   1HG   ARG  62          2HG       ARG  62  -2.041   1.490  -0.672
  404   2HG   ARG  62          3HG       ARG  62  -2.201   3.251  -0.757
  405   1HD   ARG  62          2HD       ARG  62  -1.242   3.187  -3.055
  406   2HD   ARG  62          3HD       ARG  62  -1.139   1.414  -2.945
  407    HE   ARG  62           HE       ARG  62  -3.748   2.118  -2.228
  408   1HH1  ARG  62          1HH1      ARG  62  -1.759   2.278  -5.168
  409   2HH1  ARG  62          2HH1      ARG  62  -3.152   2.287  -6.230
  410   1HH2  ARG  62          1HH2      ARG  62  -5.488   1.992  -3.587
  411   2HH2  ARG  62          2HH2      ARG  62  -5.316   2.008  -5.317
  412    H    HIS  63           H        HIS  63  -2.664   1.720   1.533
  413    HA   HIS  63           HA       HIS  63  -3.660   4.257   2.281
  414   1HB   HIS  63          2HB       HIS  63  -5.136   2.428   1.779
  415   2HB   HIS  63          3HB       HIS  63  -4.497   1.447   3.096
  416    HD1  HIS  63           HD1      HIS  63  -6.425   4.776   2.732
  417    HD2  HIS  63           HD2      HIS  63  -5.670   1.645   5.433
  418    HE1  HIS  63           HE1      HIS  63  -7.855   5.233   4.802
  419    H    SER  64           H        SER  64  -2.206   1.651   4.289
  420    HA   SER  64           HA       SER  64  -2.494   2.890   6.786
  421   1HB   SER  64          2HB       SER  64  -0.178   1.114   5.934
  422   2HB   SER  64          3HB       SER  64  -0.723   1.459   7.581
  423    HG   SER  64           HG       SER  64  -2.288   0.183   5.565
  424    H    LEU  65           H        LEU  65  -0.246   3.811   4.191
  425    HA   LEU  65           HA       LEU  65   1.706   5.165   5.739
  426   1HB   LEU  65          2HB       LEU  65   0.570   6.064   3.083
  427   2HB   LEU  65          3HB       LEU  65   2.084   6.590   3.800
  428    HG   LEU  65           HG       LEU  65   1.560   3.710   3.022
  429   1HD1  LEU  65          2HD1      LEU  65   1.458   5.220   1.044
  430   2HD1  LEU  65          3HD1      LEU  65   2.997   5.948   1.534
  431   3HD1  LEU  65          1HD1      LEU  65   2.942   4.248   1.011
  432   1HD2  LEU  65          1HD2      LEU  65   3.372   3.985   4.687
  433   2HD2  LEU  65          2HD2      LEU  65   3.982   3.461   3.114
  434   3HD2  LEU  65          3HD2      LEU  65   4.167   5.154   3.596
  435    H    THR  66           H        THR  66  -1.655   6.038   4.924
  436    HA   THR  66           HA       THR  66  -1.426   8.807   5.678
  437    HB   THR  66           HB       THR  66  -3.815   8.847   5.691
  438    HG1  THR  66          1HG       THR  66  -3.823   6.026   5.443
  439   1HG2  THR  66          3HG2      THR  66  -2.656   8.680   3.461
  440   2HG2  THR  66          1HG2      THR  66  -2.990   6.944   3.441
  441   3HG2  THR  66          2HG2      THR  66  -4.332   8.098   3.444
  442    H    HIS  67           H        HIS  67  -1.877   5.815   7.487
  443    HA   HIS  67           HA       HIS  67  -2.790   7.106   9.944
  444   1HB   HIS  67          2HB       HIS  67  -1.768   4.271   9.450
  445   2HB   HIS  67          3HB       HIS  67  -2.602   4.855  10.882
  446    HD1  HIS  67           HD1      HIS  67  -4.449   6.392   8.159
  447    HD2  HIS  67           HD2      HIS  67  -4.025   2.483   9.659
  448    HE1  HIS  67           HE1      HIS  67  -6.486   5.136   7.415
  449    H    THR  68           H        THR  68   0.217   5.504   8.748
  450    HA   THR  68           HA       THR  68   1.706   6.148  11.154
  451    HB   THR  68           HB       THR  68   3.621   5.339   9.723
  452    HG1  THR  68          1HG       THR  68   3.052   4.540   7.689
  453   1HG2  THR  68          2HG2      THR  68   2.242   3.754  11.070
  454   2HG2  THR  68          3HG2      THR  68   1.121   3.568   9.706
  455   3HG2  THR  68          1HG2      THR  68   2.802   3.016   9.557
  456    H    GLY  69           H        GLY  69   0.968   7.837   8.171
  457   1HA   GLY  69          2HA       GLY  69   1.321  10.030   7.614
  458   2HA   GLY  69          3HA       GLY  69   2.288  10.282   9.080
  459    H    GLU  70           H        GLU  70   2.894   7.593   6.875
  460    HA   GLU  70           HA       GLU  70   5.645   8.511   6.469
  461   1HB   GLU  70          2HB       GLU  70   4.122   6.020   5.718
  462   2HB   GLU  70          3HB       GLU  70   5.812   6.267   5.249
  463   1HG   GLU  70          2HG       GLU  70   6.490   6.514   7.580
  464   2HG   GLU  70          3HG       GLU  70   4.815   6.336   8.108
  465    H    LYS  71           H        LYS  71   4.164  10.388   5.387
  466    HA   LYS  71           HA       LYS  71   3.656  10.123   2.516
  467   1HB   LYS  71          2HB       LYS  71   2.348  11.416   4.183
  468   2HB   LYS  71          3HB       LYS  71   3.744  12.459   4.461
  469   1HG   LYS  71          2HG       LYS  71   3.565  13.343   2.174
  470   2HG   LYS  71          3HG       LYS  71   2.243  12.204   1.819
  471   1HD   LYS  71          2HD       LYS  71   0.892  13.163   3.667
  472   2HD   LYS  71          3HD       LYS  71   2.195  14.291   4.067
  473   1HE   LYS  71          2HE       LYS  71   0.735  14.195   1.400
  474   2HE   LYS  71          3HE       LYS  71   0.318  15.289   2.730
  475   1HZ   LYS  71          2HZ       LYS  71   2.502  16.237   2.588
  476   2HZ   LYS  71          3HZ       LYS  71   2.901  15.247   1.327
  477   3HZ   LYS  71          1HZ       LYS  71   1.709  16.354   1.144
  478    H    ASN  72           H        ASN  72   6.052   9.232   2.532
  479    HA   ASN  72           HA       ASN  72   8.085  11.410   2.495
  480   1HB   ASN  72          2HB       ASN  72   8.342   8.390   2.625
  481   2HB   ASN  72          3HB       ASN  72   9.712   9.494   2.580
  482   1HD2  ASN  72          1HD2      ASN  72   7.865   8.855   6.109
  483   2HD2  ASN  72          2HD2      ASN  72   7.332   8.049   4.637
  484    H    PHE  73           H        PHE  73   6.229  10.213   0.006
  485    HA   PHE  73           HA       PHE  73   8.456   9.530  -1.774
  486   1HB   PHE  73          2HB       PHE  73   5.515   9.987  -2.322
  487   2HB   PHE  73          3HB       PHE  73   6.716   9.590  -3.543
  488    HD1  PHE  73           HD2      PHE  73   8.111   7.515  -3.331
  489    HD2  PHE  73           HD1      PHE  73   4.900   8.308  -0.598
  490    HE1  PHE  73           HE2      PHE  73   8.358   5.255  -2.389
  491    HE2  PHE  73           HE1      PHE  73   5.028   5.990   0.243
  492    HZ   PHE  73           HZ       PHE  73   6.773   4.448  -0.633
  493    H    THR  74           H        THR  74   9.775  11.188  -1.485
  494    HA   THR  74           HA       THR  74   9.148  13.955  -1.864
  495    HB   THR  74           HB       THR  74  11.819  12.541  -1.748
  496    HG1  THR  74          1HG       THR  74  10.274  12.121   0.024
  497   1HG2  THR  74          3HG2      THR  74  10.998  15.404  -1.077
  498   2HG2  THR  74          1HG2      THR  74  12.591  14.688  -0.759
  499   3HG2  THR  74          2HG2      THR  74  12.039  14.894  -2.428
  500    H    CYS  75           H        CYS  75   9.023  15.077  -3.724
  501    HA   CYS  75           HA       CYS  75   9.687  14.005  -6.323
  502   1HB   CYS  75          2HB       CYS  75   8.020  15.660  -6.258
  503   2HB   CYS  75          3HB       CYS  75   8.980  16.743  -5.234
  504    H    ASP  76           H        ASP  76  11.731  13.709  -7.045
  505    HA   ASP  76           HA       ASP  76  14.013  14.868  -5.684
  506   1HB   ASP  76          2HB       ASP  76  14.093  12.620  -6.594
  507   2HB   ASP  76          3HB       ASP  76  13.778  13.226  -8.234
  508    H    SER  77           H        SER  77  13.192  17.100  -5.967
  509    HA   SER  77           HA       SER  77  14.479  18.400  -8.287
  510   1HB   SER  77          2HB       SER  77  12.065  17.944  -8.902
  511   2HB   SER  77          3HB       SER  77  11.582  18.958  -7.523
  512    HG   SER  77           HG       SER  77  11.687  20.063  -9.557
  513    H    ASP  78           H        ASP  78  15.892  19.661  -7.164
  514    HA   ASP  78           HA       ASP  78  15.837  20.302  -4.484
  515   1HB   ASP  78          2HB       ASP  78  17.028  21.946  -6.760
  516   2HB   ASP  78          3HB       ASP  78  17.445  22.111  -5.048
  517    H    GLY  79           H        GLY  79  14.789  21.765  -3.195
  518   1HA   GLY  79          2HA       GLY  79  13.632  23.694  -2.595
  519   2HA   GLY  79          3HA       GLY  79  13.570  24.230  -4.284
  520    H    CYS  80           H        CYS  80  12.423  22.265  -5.645
  521    HA   CYS  80           HA       CYS  80   9.626  22.171  -4.751
  522   1HB   CYS  80          2HB       CYS  80  10.185  22.687  -7.029
  523   2HB   CYS  80          3HB       CYS  80  11.162  21.239  -7.202
  524    H    ASP  81           H        ASP  81  11.200  20.873  -2.871
  525    HA   ASP  81           HA       ASP  81  11.204  17.973  -3.407
  526   1HB   ASP  81          2HB       ASP  81  11.965  19.565  -0.945
  527   2HB   ASP  81          3HB       ASP  81  12.167  17.821  -1.153
  528    H    LEU  82           H        LEU  82   8.703  18.715  -3.812
  529    HA   LEU  82           HA       LEU  82   7.034  18.740  -1.440
  530   1HB   LEU  82          2HB       LEU  82   6.504  18.114  -4.362
  531   2HB   LEU  82          3HB       LEU  82   5.225  18.054  -3.134
  532    HG   LEU  82           HG       LEU  82   6.871  20.518  -3.857
  533   1HD1  LEU  82          2HD1      LEU  82   5.385  19.766  -5.690
  534   2HD1  LEU  82          3HD1      LEU  82   4.003  19.729  -4.571
  535   3HD1  LEU  82          1HD1      LEU  82   4.790  21.270  -4.971
  536   1HD2  LEU  82          1HD2      LEU  82   4.418  20.156  -2.064
  537   2HD2  LEU  82          2HD2      LEU  82   6.035  20.701  -1.551
  538   3HD2  LEU  82          3HD2      LEU  82   5.055  21.723  -2.603
  539    H    ARG  83           H        ARG  83   6.212  17.052  -0.268
  540    HA   ARG  83           HA       ARG  83   7.205  14.324  -0.930
  541   1HB   ARG  83          2HB       ARG  83   6.226  15.216   1.777
  542   2HB   ARG  83          3HB       ARG  83   7.276  13.864   1.320
  543   1HG   ARG  83          2HG       ARG  83   8.931  15.728   0.474
  544   2HG   ARG  83          3HG       ARG  83   7.928  16.833   1.429
  545   1HD   ARG  83          2HD       ARG  83   9.687  16.181   2.872
  546   2HD   ARG  83          3HD       ARG  83   8.279  15.235   3.394
  547    HE   ARG  83           HE       ARG  83  10.220  14.104   1.403
  548   1HH1  ARG  83          1HH2      ARG  83   8.882  13.841   4.710
  549   2HH1  ARG  83          2HH2      ARG  83   9.519  12.219   4.898
  550   1HH2  ARG  83          2HH1      ARG  83  11.177  12.211   1.793
  551   2HH2  ARG  83          1HH1      ARG  83  10.974  11.350   3.318
  552    H    PHE  84           H        PHE  84   5.735  12.948  -1.699
  553    HA   PHE  84           HA       PHE  84   2.839  13.556  -1.345
  554   1HB   PHE  84          2HB       PHE  84   4.219  11.913  -3.488
  555   2HB   PHE  84          3HB       PHE  84   2.513  12.328  -3.377
  556    HD1  PHE  84           HD2      PHE  84   5.912  13.922  -3.785
  557    HD2  PHE  84           HD1      PHE  84   1.675  14.218  -4.569
  558    HE1  PHE  84           HE2      PHE  84   6.274  16.010  -4.974
  559    HE2  PHE  84           HE1      PHE  84   2.080  16.314  -5.801
  560    HZ   PHE  84           HZ       PHE  84   4.340  17.327  -5.828
  561    H    THR  85           H        THR  85   1.364  11.630  -1.449
  562    HA   THR  85           HA       THR  85   1.909   9.855   0.711
  563    HB   THR  85           HB       THR  85  -0.379   8.933  -0.259
  564    HG1  THR  85          1HG       THR  85  -0.365   9.934  -2.272
  565   1HG2  THR  85          1HG2      THR  85  -0.119  10.382   1.768
  566   2HG2  THR  85          2HG2      THR  85  -0.155  11.819   0.716
  567   3HG2  THR  85          3HG2      THR  85  -1.567  10.745   0.822
  568    H    THR  86           H        THR  86   1.736   9.229  -2.881
  569    HA   THR  86           HA       THR  86   3.218   6.703  -2.304
  570    HB   THR  86           HB       THR  86   1.920   5.443  -3.786
  571    HG1  THR  86          1HG       THR  86   0.373   7.714  -4.417
  572   1HG2  THR  86          3HG2      THR  86   0.841   5.757  -1.555
  573   2HG2  THR  86          1HG2      THR  86  -0.149   7.066  -2.244
  574   3HG2  THR  86          2HG2      THR  86  -0.309   5.418  -2.867
  575    H    LYS  87           H        LYS  87   4.331   5.865  -4.200
  576    HA   LYS  87           HA       LYS  87   6.017   7.688  -5.451
  577   1HB   LYS  87          2HB       LYS  87   5.060   4.932  -6.372
  578   2HB   LYS  87          3HB       LYS  87   6.331   5.859  -7.186
  579   1HG   LYS  87          2HG       LYS  87   7.649   5.921  -5.116
  580   2HG   LYS  87          3HG       LYS  87   6.419   4.902  -4.304
  581   1HD   LYS  87          2HD       LYS  87   6.794   3.143  -6.077
  582   2HD   LYS  87          3HD       LYS  87   8.011   4.203  -6.803
  583   1HE   LYS  87          2HE       LYS  87   9.189   2.590  -5.549
  584   2HE   LYS  87          3HE       LYS  87   9.332   4.109  -4.660
  585   1HZ   LYS  87          1HZ       LYS  87   7.466   1.910  -4.064
  586   2HZ   LYS  87          2HZ       LYS  87   8.841   2.267  -3.233
  587   3HZ   LYS  87          3HZ       LYS  87   7.570   3.319  -3.214
  588    H    ALA  88           H        ALA  88   3.021   6.180  -6.785
  589    HA   ALA  88           HA       ALA  88   3.271   7.456  -9.281
  590   1HB   ALA  88          1HB       ALA  88   2.036   5.472  -8.956
  591   2HB   ALA  88          2HB       ALA  88   0.779   6.325  -8.007
  592   3HB   ALA  88          3HB       ALA  88   1.031   6.712  -9.740
  593    H    ASN  89           H        ASN  89   1.890   8.747  -6.260
  594    HA   ASN  89           HA       ASN  89   0.527  10.998  -7.502
  595   1HB   ASN  89          2HB       ASN  89   1.905  10.832  -4.801
  596   2HB   ASN  89          3HB       ASN  89   0.829  12.133  -5.321
  597   1HD2  ASN  89          1HD2      ASN  89  -2.151  10.177  -4.727
  598   2HD2  ASN  89          2HD2      ASN  89  -1.570  11.445  -5.782
  599    H    MET  90           H        MET  90   3.771  10.446  -6.115
  600    HA   MET  90           HA       MET  90   4.907  12.970  -6.736
  601   1HB   MET  90          2HB       MET  90   5.922  11.655  -5.105
  602   2HB   MET  90          3HB       MET  90   6.063  10.234  -6.118
  603   1HG   MET  90          2HG       MET  90   7.525  12.801  -6.771
  604   2HG   MET  90          3HG       MET  90   8.167  11.648  -5.605
  605   1HE   MET  90          1HE       MET  90   9.006   9.208  -6.131
  606   2HE   MET  90          2HE       MET  90   7.504   8.717  -6.944
  607   3HE   MET  90          3HE       MET  90   9.051   8.521  -7.768
  608    H    LYS  91           H        LYS  91   4.729   9.944  -8.664
  609    HA   LYS  91           HA       LYS  91   6.257  10.917 -10.880
  610   1HB   LYS  91          2HB       LYS  91   4.003   8.885 -10.832
  611   2HB   LYS  91          3HB       LYS  91   5.045   9.191 -12.214
  612   1HG   LYS  91          2HG       LYS  91   6.037   8.143  -9.528
  613   2HG   LYS  91          3HG       LYS  91   5.692   7.179 -10.964
  614   1HD   LYS  91          2HD       LYS  91   7.421   8.618 -12.196
  615   2HD   LYS  91          3HD       LYS  91   7.868   9.276 -10.602
  616   1HE   LYS  91          2HE       LYS  91   8.318   6.956  -9.794
  617   2HE   LYS  91          3HE       LYS  91   7.905   6.329 -11.403
  618   1HZ   LYS  91          1HZ       LYS  91   9.714   7.594 -12.297
  619   2HZ   LYS  91          2HZ       LYS  91  10.110   8.170 -10.803
  620   3HZ   LYS  91          3HZ       LYS  91  10.243   6.559 -11.130
  621    H    LYS  92           H        LYS  92   2.660  10.887 -10.406
  622    HA   LYS  92           HA       LYS  92   1.970  12.240 -12.783
  623   1HB   LYS  92          2HB       LYS  92   0.744  12.423  -9.986
  624   2HB   LYS  92          3HB       LYS  92   0.064  13.207 -11.417
  625   1HG   LYS  92          2HG       LYS  92  -0.426  11.105 -12.477
  626   2HG   LYS  92          3HG       LYS  92   0.535  10.211 -11.292
  627   1HD   LYS  92          2HD       LYS  92  -1.808   9.908 -10.744
  628   2HD   LYS  92          3HD       LYS  92  -1.032  10.872  -9.490
  629   1HE   LYS  92          2HE       LYS  92  -1.970  12.953 -10.728
  630   2HE   LYS  92          3HE       LYS  92  -2.957  11.810 -11.660
  631   1HZ   LYS  92          2HZ       LYS  92  -3.861  11.076  -9.556
  632   2HZ   LYS  92          3HZ       LYS  92  -2.934  12.163  -8.738
  633   3HZ   LYS  92          1HZ       LYS  92  -4.095  12.695  -9.766
  634    H    HIS  93           H        HIS  93   2.778  13.703  -9.570
  635    HA   HIS  93           HA       HIS  93   2.638  16.407 -10.431
  636   1HB   HIS  93          2HB       HIS  93   2.821  16.003  -8.106
  637   2HB   HIS  93          3HB       HIS  93   4.265  15.007  -8.289
  638    HD1  HIS  93           HD1      HIS  93   3.319  18.763  -8.661
  639    HD2  HIS  93           HD2      HIS  93   6.621  16.168  -8.420
  640    HE1  HIS  93           HE1      HIS  93   5.397  20.228  -8.575
  641    H    PHE  94           H        PHE  94   5.507  14.267 -10.234
  642    HA   PHE  94           HA       PHE  94   7.392  16.033 -11.228
  643   1HB   PHE  94          2HB       PHE  94   7.747  13.736 -10.215
  644   2HB   PHE  94          3HB       PHE  94   7.359  13.037 -11.782
  645    HD1  PHE  94           HD1      PHE  94   8.891  13.614 -13.776
  646    HD2  PHE  94           HD2      PHE  94   9.900  14.581  -9.692
  647    HE1  PHE  94           HE1      PHE  94  11.238  14.045 -14.450
  648    HE2  PHE  94           HE2      PHE  94  12.248  14.991 -10.374
  649    HZ   PHE  94           HZ       PHE  94  12.914  14.746 -12.752
  650    H    ASN  95           H        ASN  95   5.218  13.878 -13.020
  651    HA   ASN  95           HA       ASN  95   6.207  14.467 -15.635
  652   1HB   ASN  95          2HB       ASN  95   3.669  13.277 -14.491
  653   2HB   ASN  95          3HB       ASN  95   3.702  13.705 -16.187
  654   1HD2  ASN  95          1HD2      ASN  95   5.698  10.394 -14.880
  655   2HD2  ASN  95          2HD2      ASN  95   4.920  11.501 -13.748
  656    H    ARG  96           H        ARG  96   3.254  15.627 -13.968
  657    HA   ARG  96           HA       ARG  96   2.415  17.539 -15.812
  658   1HB   ARG  96          2HB       ARG  96   2.212  17.372 -12.795
  659   2HB   ARG  96          3HB       ARG  96   1.400  18.648 -13.718
  660   1HG   ARG  96          2HG       ARG  96   0.009  17.075 -14.860
  661   2HG   ARG  96          3HG       ARG  96   0.951  15.687 -14.279
  662   1HD   ARG  96          2HD       ARG  96   0.324  16.150 -11.971
  663   2HD   ARG  96          3HD       ARG  96  -0.570  17.610 -12.465
  664    HE   ARG  96           HE       ARG  96  -1.686  15.542 -13.942
  665   1HH1  ARG  96          2HH1      ARG  96  -1.257  16.274 -10.522
  666   2HH1  ARG  96          1HH1      ARG  96  -2.715  15.463  -9.990
  667   1HH2  ARG  96          2HH2      ARG  96  -3.634  14.505 -13.288
  668   2HH2  ARG  96          1HH2      ARG  96  -4.102  14.499 -11.604
  669    H    PHE  97           H        PHE  97   4.838  17.980 -13.209
  670    HA   PHE  97           HA       PHE  97   5.118  20.854 -13.921
  671   1HB   PHE  97          2HB       PHE  97   6.061  19.199 -11.572
  672   2HB   PHE  97          3HB       PHE  97   6.561  20.854 -11.870
  673    HD1  PHE  97           HD2      PHE  97   3.307  18.947 -11.702
  674    HD2  PHE  97           HD1      PHE  97   5.477  22.525 -10.673
  675    HE1  PHE  97           HE2      PHE  97   1.294  19.859 -10.634
  676    HE2  PHE  97           HE1      PHE  97   3.529  23.313  -9.368
  677    HZ   PHE  97           HZ       PHE  97   1.438  21.962  -9.304
  678    H    HIS  98           H        HIS  98   6.940  17.859 -14.482
  679    HA   HIS  98           HA       HIS  98   9.231  19.535 -15.405
  680   1HB   HIS  98          2HB       HIS  98   9.632  16.938 -13.903
  681   2HB   HIS  98          3HB       HIS  98  10.819  18.144 -14.369
  682    HD1  HIS  98           HD1      HIS  98   9.361  20.718 -13.127
  683    HD2  HIS  98           HD2      HIS  98   9.491  16.930 -11.344
  684    HE1  HIS  98           HE1      HIS  98   8.878  21.065 -10.648
  685    H    ASN  99           H        ASN  99   8.125  16.082 -15.360
  686    HA   ASN  99           HA       ASN  99   9.242  15.804 -18.056
  687   1HB   ASN  99          2HB       ASN  99   9.240  13.966 -16.230
  688   2HB   ASN  99          3HB       ASN  99   7.643  13.568 -16.824
  689   1HD2  ASN  99          1HD2      ASN  99   8.683  12.848 -20.239
  690   2HD2  ASN  99          2HD2      ASN  99   7.441  13.693 -19.336
  691    H    ILE 100           H        ILE 100   7.704  17.696 -18.495
  692    HA   ILE 100           HA       ILE 100   4.952  17.019 -19.204
  693    HB   ILE 100           HB       ILE 100   6.729  19.387 -19.942
  694   1HG1  ILE 100          2HG1      ILE 100   4.542  19.091 -17.830
  695   2HG1  ILE 100          3HG1      ILE 100   6.273  19.083 -17.483
  696   1HG2  ILE 100          1HG2      ILE 100   4.860  19.111 -21.563
  697   2HG2  ILE 100          2HG2      ILE 100   3.705  19.051 -20.216
  698   3HG2  ILE 100          3HG2      ILE 100   4.621  20.533 -20.563
  699   1HD1  ILE 100          1HD1      ILE 100   6.456  21.389 -18.448
  700   2HD1  ILE 100          2HD1      ILE 100   4.675  21.437 -18.524
  701   3HD1  ILE 100          3HD1      ILE 100   5.488  21.252 -16.967
  702    H    LYS 101           H        LYS 101   8.123  17.110 -20.807
  703    HA   LYS 101           HA       LYS 101   7.191  16.684 -23.495
  704   1HB   LYS 101          2HB       LYS 101   9.843  15.888 -22.214
  705   2HB   LYS 101          3HB       LYS 101   9.514  16.033 -23.943
  706   1HG   LYS 101          2HG       LYS 101   9.550  18.310 -21.900
  707   2HG   LYS 101          3HG       LYS 101  10.767  17.946 -23.122
  708   1HD   LYS 101          2HD       LYS 101   9.046  18.345 -24.916
  709   2HD   LYS 101          3HD       LYS 101   7.898  18.848 -23.653
  710   1HE   LYS 101          2HE       LYS 101   9.458  20.642 -22.938
  711   2HE   LYS 101          3HE       LYS 101  10.596  20.158 -24.211
  712   1HZ   LYS 101          1HZ       LYS 101   8.919  20.681 -25.825
  713   2HZ   LYS 101          2HZ       LYS 101   7.860  21.131 -24.643
  714   3HZ   LYS 101          3HZ       LYS 101   9.245  21.991 -24.881
  715   1H5*    T   1          1H5*        T   1  -5.485  23.473 -16.156
  716   2H5*    T   1          2H5*        T   1  -3.970  22.597 -16.483
  717    H4*    T   1           H4*        T   1  -4.416  23.272 -14.023
  718    H3*    T   1           H3*        T   1  -3.593  20.583 -14.998
  719   1H2*    T   1          1H2*        T   1  -4.912  19.497 -13.510
  720   2H2*    T   1          2H2*        T   1  -3.941  20.188 -12.185
  721    H1*    T   1           H1*        T   1  -5.353  22.088 -11.977
  722    H3     T   1           H3         T   1  -8.592  20.088  -9.439
  723   1H5M    T   1          1H5M        T   1 -10.479  17.980 -13.133
  724   2H5M    T   1          2H5M        T   1 -10.102  19.214 -14.349
  725   3H5M    T   1          3H5M        T   1  -9.058  17.782 -14.172
  726    H6     T   1           H6         T   1  -7.412  19.832 -14.088
  727    H5T    T   1           H5T        T   1  -6.405  21.334 -15.831
  728   1H5*    T   2          1H5*        T   2  -2.193  22.306 -11.010
  729   2H5*    T   2          2H5*        T   2  -0.510  21.902 -10.629
  730    H4*    T   2           H4*        T   2  -1.951  21.625  -8.637
  731    H3*    T   2           H3*        T   2  -0.691  19.201  -9.872
  732   1H2*    T   2          1H2*        T   2  -2.292  17.845  -9.196
  733   2H2*    T   2          2H2*        T   2  -2.070  18.332  -7.485
  734    H1*    T   2           H1*        T   2  -3.675  19.978  -7.614
  735    H3     T   2           H3         T   2  -7.586  17.620  -7.783
  736   1H5M    T   2          1H5M        T   2  -6.119  15.748 -11.940
  737   2H5M    T   2          2H5M        T   2  -6.830  17.248 -12.541
  738   3H5M    T   2          3H5M        T   2  -5.068  17.031 -12.585
  739    H6     T   2           H6         T   2  -3.975  18.227 -10.892
  740   1H5*    G   3          1H5*        G   3  -0.426  19.614  -5.201
  741   2H5*    G   3          2H5*        G   3   1.021  18.785  -4.594
  742    H4*    G   3           H4*        G   3  -1.063  18.304  -3.331
  743    H3*    G   3           H3*        G   3   0.849  16.461  -3.788
  744   1H2*    G   3          1H2*        G   3  -0.217  15.647  -5.869
  745   2H2*    G   3          2H2*        G   3  -0.785  14.437  -4.684
  746    H1*    G   3           H1*        G   3  -2.746  15.761  -4.164
  747    H8     G   3           H8         G   3  -1.433  15.442  -7.797
  748    H1     G   3           H1         G   3  -7.726  14.473  -6.953
  749   1H2     G   3           H21        G   3  -8.169  14.718  -4.682
  750   2H2     G   3           H22        G   3  -6.918  15.318  -3.620
  751   1H5*    G   4          1H5*        G   4  -2.308  16.109  -0.419
  752   2H5*    G   4          2H5*        G   4  -1.679  15.171   0.953
  753    H4*    G   4           H4*        G   4  -4.156  15.101   0.807
  754    H3*    G   4           H3*        G   4  -2.538  12.884   1.214
  755   1H2*    G   4          1H2*        G   4  -2.635  12.097  -1.030
  756   2H2*    G   4          2H2*        G   4  -4.039  11.213  -0.384
  757    H1*    G   4           H1*        G   4  -5.563  12.906  -1.106
  758    H8     G   4           H8         G   4  -2.318  13.351  -3.251
  759    H1     G   4           H1         G   4  -7.398  11.085  -6.457
  760   1H2     G   4           H21        G   4  -9.001  10.477  -4.909
  761   2H2     G   4           H22        G   4  -8.839  11.004  -3.245
  762   1H5*    A   5          1H5*        A   5  -7.034  11.520   1.020
  763   2H5*    A   5          2H5*        A   5  -7.329  10.262   2.238
  764    H4*    A   5           H4*        A   5  -8.240   9.630   0.062
  765    H3*    A   5           H3*        A   5  -6.327   7.926   1.461
  766   1H2*    A   5          1H2*        A   5  -4.836   8.030  -0.326
  767   2H2*    A   5          2H2*        A   5  -5.858   6.717  -0.972
  768    H1*    A   5           H1*        A   5  -7.316   8.349  -2.070
  769    H8     A   5           H8         A   5  -3.558   9.430  -1.864
  770   1H6     A   5           H61        A   5  -3.664   8.971  -8.031
  771   2H6     A   5           H62        A   5  -2.653   9.291  -6.621
  772    H2     A   5           H2         A   5  -7.674   7.820  -6.514
  773   1H5*    T   6          1H5*        T   6  -9.925   6.323  -1.376
  774   2H5*    T   6          2H5*        T   6 -10.430   4.772  -0.673
  775    H4*    T   6           H4*        T   6 -10.725   4.789  -3.130
  776    H3*    T   6           H3*        T   6  -9.314   2.778  -1.677
  777   1H2*    T   6          1H2*        T   6  -7.264   3.317  -2.548
  778   2H2*    T   6          2H2*        T   6  -7.761   2.208  -3.844
  779    H1*    T   6           H1*        T   6  -8.777   4.044  -5.110
  780    H3     T   6           H3         T   6  -5.070   5.201  -7.464
  781   1H5M    T   6          1H5M        T   6  -3.966   6.269  -2.283
  782   2H5M    T   6          2H5M        T   6  -2.995   4.913  -2.880
  783   3H5M    T   6          3H5M        T   6  -2.797   6.523  -3.592
  784    H6     T   6           H6         T   6  -6.111   5.147  -2.769
  785   1H5*    G   7          1H5*        G   7 -12.083   1.511  -5.617
  786   2H5*    G   7          2H5*        G   7 -12.528  -0.170  -5.260
  787    H4*    G   7           H4*        G   7 -12.463   0.210  -7.673
  788    H3*    G   7           H3*        G   7 -11.168  -1.960  -6.494
  789   1H2*    G   7          1H2*        G   7  -9.051  -1.000  -6.465
  790   2H2*    G   7          2H2*        G   7  -8.951  -1.825  -8.023
  791    H1*    G   7           H1*        G   7  -9.530   0.149  -9.259
  792    H8     G   7           H8         G   7  -8.402   1.136  -5.681
  793    H1     G   7           H1         G   7  -4.035   2.488 -10.148
  794   1H2     G   7           H21        G   7  -4.848   2.003 -12.217
  795   2H2     G   7           H22        G   7  -6.443   1.289 -12.388
  796   1H5*    G   8          1H5*        G   8 -10.378  -1.451 -11.162
  797   2H5*    G   8          2H5*        G   8 -10.905  -3.002 -11.826
  798    H4*    G   8           H4*        G   8  -9.101  -2.244 -13.190
  799    H3*    G   8           H3*        G   8  -8.929  -4.735 -11.823
  800   1H2*    G   8          1H2*        G   8  -7.324  -3.962 -10.318
  801   2H2*    G   8          2H2*        G   8  -6.198  -4.528 -11.561
  802    H1*    G   8           H1*        G   8  -6.109  -2.317 -12.597
  803    H8     G   8           H8         G   8  -7.026  -2.227  -8.827
  804    H1     G   8           H1         G   8  -1.267   0.292 -10.102
  805   1H2     G   8           H21        G   8  -0.836   0.079 -12.350
  806   2H2     G   8           H22        G   8  -2.043  -0.607 -13.427
  807   1H5*    G   9          1H5*        G   9  -5.660  -3.517 -15.092
  808   2H5*    G   9          2H5*        G   9  -5.490  -4.964 -16.106
  809    H4*    G   9           H4*        G   9  -3.353  -3.885 -16.028
  810    H3*    G   9           H3*        G   9  -3.694  -6.579 -15.219
  811   1H2*    G   9          1H2*        G   9  -3.439  -5.973 -12.908
  812   2H2*    G   9          2H2*        G   9  -1.778  -6.437 -13.327
  813    H1*    G   9           H1*        G   9  -1.277  -4.086 -13.981
  814    H8     G   9           H8         G   9  -3.801  -4.495 -11.017
  815    H1     G   9           H1         G   9   1.874  -1.960  -9.389
  816   1H2     G   9           H21        G   9   3.206  -1.838 -11.257
  817   2H2     G   9           H22        G   9   2.550  -2.270 -12.825
  818   1H5*    A  10          1H5*        A  10   0.888  -4.880 -16.337
  819   2H5*    A  10          2H5*        A  10   1.372  -6.276 -17.317
  820    H4*    A  10           H4*        A  10   3.357  -5.301 -16.430
  821    H3*    A  10           H3*        A  10   2.641  -8.026 -15.913
  822   1H2*    A  10          1H2*        A  10   2.383  -7.698 -13.634
  823   2H2*    A  10          2H2*        A  10   4.131  -7.984 -13.602
  824    H1*    A  10           H1*        A  10   4.589  -5.576 -13.656
  825    H8     A  10           H8         A  10   0.941  -5.985 -12.555
  826   1H6     A  10           H61        A  10   2.549  -4.350  -6.883
  827   2H6     A  10           H62        A  10   1.289  -4.831  -7.992
  828    H2     A  10           H2         A  10   6.271  -4.281  -9.461
  829   1H5*    G  11          1H5*        G  11   6.741  -6.627 -14.872
  830   2H5*    G  11          2H5*        G  11   8.093  -7.755 -15.101
  831    H4*    G  11           H4*        G  11   8.021  -6.572 -12.869
  832    H3*    G  11           H3*        G  11   7.929  -9.589 -13.009
  833   1H2*    G  11          1H2*        G  11   7.232  -9.706 -10.858
  834   2H2*    G  11          2H2*        G  11   8.466  -8.529 -10.305
  835    H1*    G  11           H1*        G  11   7.128  -6.710 -10.628
  836    H8     G  11           H8         G  11   4.017  -8.839 -11.361
  837    H1     G  11           H1         G  11   4.793  -7.104  -5.209
  838   1H2     G  11           H21        G  11   6.983  -6.358  -4.970
  839   2H2     G  11           H22        G  11   7.993  -6.177  -6.389
  840   1H5*    A  12          1H5*        A  12  10.958  -6.879 -10.790
  841   2H5*    A  12          2H5*        A  12  12.581  -7.556 -11.033
  842    H4*    A  12           H4*        A  12  12.372  -6.348  -8.893
  843    H3*    A  12           H3*        A  12  13.613  -8.812  -9.212
  844   1H2*    A  12          1H2*        A  12  11.793 -10.102  -8.431
  845   2H2*    A  12          2H2*        A  12  12.649  -9.879  -6.891
  846    H1*    A  12           H1*        A  12  11.288  -8.009  -6.277
  847    H8     A  12           H8         A  12   9.472 -10.209  -8.963
  848   1H6     A  12           H61        A  12   4.752 -10.382  -5.025
  849   2H6     A  12           H62        A  12   5.391 -10.839  -6.599
  850    H2     A  12           H2         A  12   8.170  -8.311  -2.972
  851   1H5*    C  13          1H5*        C  13  13.485  -7.161  -4.831
  852   2H5*    C  13          2H5*        C  13  14.988  -7.497  -3.945
  853    H4*    C  13           H4*        C  13  12.940  -7.926  -2.598
  854    H3*    C  13           H3*        C  13  15.001  -9.992  -3.085
  855   1H2*    C  13          1H2*        C  13  13.444 -11.606  -3.523
  856   2H2*    C  13          2H2*        C  13  13.034 -11.549  -1.791
  857    H1*    C  13           H1*        C  13  11.350  -9.875  -2.137
  858   1H4     C  13           H41        C  13   8.005 -13.450  -6.710
  859   2H4     C  13           H42        C  13   7.025 -13.364  -5.261
  860    H5     C  13           H5         C  13  10.373 -12.683  -6.721
  861    H6     C  13           H6         C  13  12.033 -11.470  -5.447
  862   1H5*    C  14          1H5*        C  14  12.556  -9.893   0.844
  863   2H5*    C  14          2H5*        C  14  13.458 -10.487   2.255
  864    H4*    C  14           H4*        C  14  11.150 -11.437   2.074
  865    H3*    C  14           H3*        C  14  13.548 -13.222   2.042
  866   1H2*    C  14          1H2*        C  14  12.498 -14.728   0.745
  867   2H2*    C  14          2H2*        C  14  11.224 -14.931   1.982
  868    H1*    C  14           H1*        C  14   9.844 -13.270   1.058
  869   1H4     C  14           H41        C  14  10.258 -15.563  -5.207
  870   2H4     C  14           H42        C  14   8.628 -15.857  -4.627
  871    H5     C  14           H5         C  14  11.999 -14.578  -3.760
  872    H6     C  14           H6         C  14  12.411 -13.667  -1.523
  873   1H5*    G  15          1H5*        G  15   9.825 -14.590   4.405
  874   2H5*    G  15          2H5*        G  15  10.285 -15.520   5.846
  875    H4*    G  15           H4*        G  15   8.525 -16.668   4.581
  876    H3*    G  15           H3*        G  15  11.146 -17.977   5.035
  877   1H2*    G  15          1H2*        G  15  11.300 -18.639   2.842
  878   2H2*    G  15          2H2*        G  15  10.038 -19.834   3.264
  879    H1*    G  15           H1*        G  15   8.276 -18.311   2.596
  880    H8     G  15           H8         G  15  11.631 -17.560   0.720
  881    H1     G  15           H1         G  15   6.700 -19.119  -3.089
  882   1H2     G  15           H21        G  15   4.899 -19.697  -1.757
  883   2H2     G  15           H22        G  15   5.026 -19.602  -0.011
  884    H3T    G  15           H3T        G  15   9.278 -18.385   6.269
  885   1H5*    C  16          1H5*        C  16   2.132 -24.980  -6.898
  886   2H5*    C  16          2H5*        C  16   0.568 -24.387  -7.511
  887    H4*    C  16           H4*        C  16   1.361 -23.495  -5.198
  888    H3*    C  16           H3*        C  16   0.260 -21.903  -7.450
  889   1H2*    C  16          1H2*        C  16   1.733 -20.211  -7.165
  890   2H2*    C  16          2H2*        C  16   0.995 -19.874  -5.590
  891    H1*    C  16           H1*        C  16   2.466 -21.347  -4.432
  892   1H4     C  16           H41        C  16   7.925 -18.353  -6.980
  893   2H4     C  16           H42        C  16   8.049 -18.305  -5.233
  894    H5     C  16           H5         C  16   5.994 -19.356  -8.123
  895    H6     C  16           H6         C  16   3.906 -20.509  -7.791
  896    H5T    C  16           H5T        C  16   3.029 -23.104  -8.002
  897   1H5*    G  17          1H5*        G  17  -0.642 -21.149  -3.007
  898   2H5*    G  17          2H5*        G  17  -2.092 -20.206  -2.612
  899    H4*    G  17           H4*        G  17   0.073 -19.530  -1.454
  900    H3*    G  17           H3*        G  17  -1.543 -17.543  -3.038
  901   1H2*    G  17          1H2*        G  17   0.270 -16.148  -3.254
  902   2H2*    G  17          2H2*        G  17   0.628 -16.299  -1.502
  903    H1*    G  17           H1*        G  17   1.984 -18.031  -1.687
  904    H8     G  17           H8         G  17   1.979 -17.604  -5.567
  905    H1     G  17           H1         G  17   7.237 -15.595  -2.487
  906   1H2     G  17           H21        G  17   6.808 -15.645  -0.200
  907   2H2     G  17           H22        G  17   5.258 -16.211   0.379
  908   1H5*    G  18          1H5*        G  18   0.078 -17.098   1.254
  909   2H5*    G  18          2H5*        G  18  -0.996 -16.129   2.282
  910    H4*    G  18           H4*        G  18   1.371 -15.716   2.792
  911    H3*    G  18           H3*        G  18  -0.525 -13.660   2.294
  912   1H2*    G  18          1H2*        G  18   0.451 -13.035   0.222
  913   2H2*    G  18          2H2*        G  18   1.427 -12.011   1.309
  914    H1*    G  18           H1*        G  18   3.164 -13.705   1.471
  915    H8     G  18           H8         G  18   1.156 -14.262  -1.829
  916    H1     G  18           H1         G  18   7.192 -12.336  -2.759
  917   1H2     G  18           H21        G  18   8.086 -11.705  -0.718
  918   2H2     G  18           H22        G  18   7.228 -12.084   0.768
  919   1H5*    T  19          1H5*        T  19   3.756 -12.477   4.055
  920   2H5*    T  19          2H5*        T  19   3.518 -11.234   5.299
  921    H4*    T  19           H4*        T  19   5.550 -10.834   3.964
  922    H3*    T  19           H3*        T  19   3.465  -8.851   4.340
  923   1H2*    T  19          1H2*        T  19   3.117  -8.614   2.081
  924   2H2*    T  19          2H2*        T  19   4.541  -7.572   2.120
  925    H1*    T  19           H1*        T  19   6.021  -9.448   1.622
  926    H3     T  19           H3         T  19   5.628  -9.478  -2.955
  927   1H5M    T  19          1H5M        T  19   0.840 -10.952  -0.864
  928   2H5M    T  19          2H5M        T  19   0.792  -9.603  -2.010
  929   3H5M    T  19          3H5M        T  19   1.270 -11.232  -2.563
  930    H6     T  19           H6         T  19   2.542 -10.203   0.637
  931   1H5*    C  20          1H5*        C  20   7.643  -7.509   3.022
  932   2H5*    C  20          2H5*        C  20   8.145  -5.895   3.570
  933    H4*    C  20           H4*        C  20   8.498  -6.353   1.127
  934    H3*    C  20           H3*        C  20   6.850  -4.032   2.059
  935   1H2*    C  20          1H2*        C  20   5.551  -4.121   0.216
  936   2H2*    C  20          2H2*        C  20   6.982  -3.848  -0.819
  937    H1*    C  20           H1*        C  20   7.443  -6.166  -1.009
  938   1H4     C  20           H41        C  20   1.261  -7.224  -3.399
  939   2H4     C  20           H42        C  20   2.398  -7.252  -4.731
  940    H5     C  20           H5         C  20   2.019  -6.758  -1.064
  941    H6     C  20           H6         C  20   3.952  -6.257   0.297
  942   1H5*    T  21          1H5*        T  21  10.253  -3.901  -1.186
  943   2H5*    T  21          2H5*        T  21  11.051  -2.315  -1.219
  944    H4*    T  21           H4*        T  21  10.778  -3.340  -3.473
  945    H3*    T  21           H3*        T  21   9.970  -0.636  -2.798
  946   1H2*    T  21          1H2*        T  21   7.774  -0.984  -3.405
  947   2H2*    T  21          2H2*        T  21   8.373  -0.730  -5.065
  948    H1*    T  21           H1*        T  21   8.814  -3.107  -5.343
  949    H3     T  21           H3         T  21   4.685  -4.242  -6.846
  950   1H5M    T  21          1H5M        T  21   4.052  -3.700  -1.609
  951   2H5M    T  21          2H5M        T  21   3.683  -2.073  -2.203
  952   3H5M    T  21          3H5M        T  21   2.683  -3.459  -2.704
  953    H6     T  21           H6         T  21   6.307  -2.613  -2.629
  954   1H5*    C  22          1H5*        C  22  10.676  -1.248  -7.619
  955   2H5*    C  22          2H5*        C  22  11.187   0.346  -8.213
  956    H4*    C  22           H4*        C  22   9.382  -0.581  -9.583
  957    H3*    C  22           H3*        C  22   8.705   1.866  -7.956
  958   1H2*    C  22          1H2*        C  22   6.518   1.478  -8.194
  959   2H2*    C  22          2H2*        C  22   6.640   1.198  -9.950
  960    H1*    C  22           H1*        C  22   7.037  -1.063  -9.788
  961   1H4     C  22           H41        C  22   1.860  -1.252  -5.563
  962   2H4     C  22           H42        C  22   1.294  -1.904  -7.077
  963    H5     C  22           H5         C  22   4.171  -0.644  -5.169
  964    H6     C  22           H6         C  22   6.320  -0.295  -6.242
  965   1H5*    C  23          1H5*        C  23   7.209   1.996 -12.253
  966   2H5*    C  23          2H5*        C  23   7.023   3.683 -12.789
  967    H4*    C  23           H4*        C  23   5.034   2.352 -13.190
  968    H3*    C  23           H3*        C  23   4.715   4.538 -11.114
  969   1H2*    C  23          1H2*        C  23   2.529   3.930 -10.953
  970   2H2*    C  23          2H2*        C  23   2.385   3.444 -12.673
  971    H1*    C  23           H1*        C  23   3.006   1.323 -12.333
  972   1H4     C  23           H41        C  23   0.374   0.600  -6.190
  973   2H4     C  23           H42        C  23  -0.866   0.241  -7.373
  974    H5     C  23           H5         C  23   2.438   1.873  -6.947
  975    H6     C  23           H6         C  23   3.792   2.380  -8.897
  976   1H5*    C  24          1H5*        C  24   2.942   3.855 -15.027
  977   2H5*    C  24          2H5*        C  24   2.709   5.300 -16.030
  978    H4*    C  24           H4*        C  24   0.969   3.585 -16.433
  979    H3*    C  24           H3*        C  24   0.515   6.347 -15.855
  980   1H2*    C  24          1H2*        C  24  -0.564   6.018 -13.882
  981   2H2*    C  24          2H2*        C  24  -1.993   5.692 -14.906
  982    H1*    C  24           H1*        C  24  -1.668   3.334 -14.800
  983   1H4     C  24           H41        C  24  -0.842   3.300  -8.141
  984   2H4     C  24           H42        C  24  -2.333   2.447  -8.447
  985    H5     C  24           H5         C  24   0.441   4.345  -9.878
  986    H6     C  24           H6         C  24   0.590   4.794 -12.240
  987   1H5*    A  25          1H5*        A  25  -3.164   4.058 -17.165
  988   2H5*    A  25          2H5*        A  25  -4.077   4.903 -18.435
  989    H4*    A  25           H4*        A  25  -5.570   4.055 -16.666
  990    H3*    A  25           H3*        A  25  -5.453   6.843 -17.488
  991   1H2*    A  25          1H2*        A  25  -4.967   7.629 -15.390
  992   2H2*    A  25          2H2*        A  25  -6.701   7.416 -15.063
  993    H1*    A  25           H1*        A  25  -6.342   5.216 -14.132
  994    H8     A  25           H8         A  25  -3.131   7.451 -13.956
  995   1H6     A  25           H61        A  25  -2.996   6.108  -7.939
  996   2H6     A  25           H62        A  25  -2.176   6.852  -9.310
  997    H2     A  25           H2         A  25  -6.807   4.458  -9.643
  998   1H5*    T  26          1H5*        T  26  -8.927   4.967 -15.359
  999   2H5*    T  26          2H5*        T  26 -10.550   5.597 -15.718
 1000    H4*    T  26           H4*        T  26 -10.114   5.272 -13.285
 1001    H3*    T  26           H3*        T  26 -10.692   8.030 -14.363
 1002   1H2*    T  26          1H2*        T  26  -9.737   8.999 -12.569
 1003   2H2*    T  26          2H2*        T  26 -10.705   8.007 -11.444
 1004    H1*    T  26           H1*        T  26  -9.184   6.295 -11.312
 1005    H3     T  26           H3         T  26  -6.166   8.230  -8.530
 1006   1H5M    T  26          1H5M        T  26  -3.828   9.789 -12.304
 1007   2H5M    T  26          2H5M        T  26  -5.023   9.736 -13.611
 1008   3H5M    T  26          3H5M        T  26  -5.071  11.057 -12.425
 1009    H6     T  26           H6         T  26  -7.160   8.786 -13.186
 1010   1H5*    C  27          1H5*        C  27 -12.635   5.995 -10.854
 1011   2H5*    C  27          2H5*        C  27 -14.356   6.372 -10.630
 1012    H4*    C  27           H4*        C  27 -13.115   6.247  -8.483
 1013    H3*    C  27           H3*        C  27 -14.817   8.407  -9.279
 1014   1H2*    C  27          1H2*        C  27 -13.101   9.972  -9.370
 1015   2H2*    C  27          2H2*        C  27 -13.401  10.097  -7.622
 1016    H1*    C  27           H1*        C  27 -11.739   8.416  -7.122
 1017   1H4     C  27           H41        C  27  -6.977  11.999 -10.250
 1018   2H4     C  27           H42        C  27  -6.430  11.688  -8.623
 1019    H5     C  27           H5         C  27  -9.117  11.114 -11.108
 1020    H6     C  27           H6         C  27 -11.141   9.964 -10.486
 1021   1H5*    C  28          1H5*        C  28 -13.645   8.626  -4.765
 1022   2H5*    C  28          2H5*        C  28 -14.987   9.287  -3.803
 1023    H4*    C  28           H4*        C  28 -12.901  10.508  -3.370
 1024    H3*    C  28           H3*        C  28 -15.054  12.030  -4.862
 1025   1H2*    C  28          1H2*        C  28 -13.592  13.631  -5.433
 1026   2H2*    C  28          2H2*        C  28 -12.867  13.707  -3.798
 1027    H1*    C  28           H1*        C  28 -11.287  12.126  -4.209
 1028   1H4     C  28           H41        C  28  -9.600  14.015 -10.393
 1029   2H4     C  28           H42        C  28  -8.288  14.469  -9.330
 1030    H5     C  28           H5         C  28 -11.732  13.080  -9.556
 1031    H6     C  28           H6         C  28 -12.890  12.328  -7.556
 1032   1H5*    A  29          1H5*        A  29 -13.110  13.409  -0.972
 1033   2H5*    A  29          2H5*        A  29 -14.220  14.325   0.066
 1034    H4*    A  29           H4*        A  29 -11.887  15.207   0.025
 1035    H3*    A  29           H3*        A  29 -14.221  16.777  -0.102
 1036   1H2*    A  29          1H2*        A  29 -14.019  17.241  -2.386
 1037   2H2*    A  29          2H2*        A  29 -13.060  18.612  -1.779
 1038    H1*    A  29           H1*        A  29 -10.993  17.393  -2.009
 1039    H8     A  29           H8         A  29 -13.863  16.405  -4.463
 1040   1H6     A  29           H61        A  29  -9.645  16.863  -8.945
 1041   2H6     A  29           H62        A  29 -11.322  16.543  -8.524
 1042    H2     A  29           H2         A  29  -7.659  17.919  -5.062
 1043   1H5*    A  30          1H5*        A  30  -9.920  18.675   0.462
 1044   2H5*    A  30          2H5*        A  30  -9.997  20.096   1.524
 1045    H4*    A  30           H4*        A  30  -8.339  20.372  -0.292
 1046    H3*    A  30           H3*        A  30 -10.437  22.301   0.265
 1047   1H2*    A  30          1H2*        A  30 -11.403  22.056  -1.850
 1048   2H2*    A  30          2H2*        A  30 -10.115  23.213  -2.312
 1049    H1*    A  30           H1*        A  30  -8.608  21.384  -2.892
 1050    H8     A  30           H8         A  30 -12.361  20.315  -3.270
 1051   1H6     A  30           H61        A  30 -11.077  19.533  -9.230
 1052   2H6     A  30           H62        A  30 -12.305  19.530  -7.965
 1053    H2     A  30           H2         A  30  -7.351  21.025  -7.225
 1054    H3T    A  30           H3T        A  30  -8.197  22.677   0.485
   
  No H/Q in entry =        1054
  Start of MODEL    7
    1    H    MET   1           H        MET   1   4.910 -18.849 -13.684
    2    HA   MET   1           HA       MET   1   4.617 -19.457 -11.030
    3   1HB   MET   1          2HB       MET   1   3.244 -16.809 -11.658
    4   2HB   MET   1          3HB       MET   1   3.168 -17.708 -10.134
    5   1HG   MET   1          2HG       MET   1   5.684 -17.388  -9.945
    6   2HG   MET   1          3HG       MET   1   5.583 -16.302 -11.337
    7   1HE   MET   1          3HE       MET   1   6.952 -15.501  -8.663
    8   2HE   MET   1          1HE       MET   1   6.767 -14.351 -10.010
    9   3HE   MET   1          2HE       MET   1   6.290 -13.879  -8.360
   10    H    LYS  11           H        LYS  11   2.423 -20.298 -10.615
   11    HA   LYS  11           HA       LYS  11   1.074 -21.127 -13.089
   12   1HB   LYS  11          2HB       LYS  11   1.548 -22.763 -11.330
   13   2HB   LYS  11          3HB       LYS  11   0.585 -21.811 -10.178
   14   1HG   LYS  11          2HG       LYS  11  -1.452 -22.203 -11.423
   15   2HG   LYS  11          3HG       LYS  11  -0.554 -22.939 -12.758
   16   1HD   LYS  11          2HD       LYS  11  -1.685 -24.616 -11.412
   17   2HD   LYS  11          3HD       LYS  11   0.060 -24.864 -11.368
   18   1HE   LYS  11          2HE       LYS  11  -1.351 -23.291  -9.166
   19   2HE   LYS  11          3HE       LYS  11  -1.367 -25.060  -9.168
   20   1HZ   LYS  11          1HZ       LYS  11   0.998 -25.072  -9.160
   21   2HZ   LYS  11          2HZ       LYS  11   1.062 -23.425  -9.154
   22   3HZ   LYS  11          3HZ       LYS  11   0.416 -24.221  -7.874
   23    H    ARG  12           H        ARG  12  -0.043 -19.393 -13.904
   24    HA   ARG  12           HA       ARG  12  -1.322 -17.371 -12.433
   25   1HB   ARG  12          2HB       ARG  12  -1.669 -18.446 -15.233
   26   2HB   ARG  12          3HB       ARG  12  -2.803 -17.265 -14.584
   27   1HG   ARG  12          2HG       ARG  12  -1.079 -16.157 -15.875
   28   2HG   ARG  12          3HG       ARG  12  -1.103 -15.626 -14.191
   29   1HD   ARG  12          2HD       ARG  12   0.833 -17.061 -13.689
   30   2HD   ARG  12          3HD       ARG  12   0.847 -17.642 -15.375
   31    HE   ARG  12           HE       ARG  12   0.963 -14.849 -15.494
   32   1HH1  ARG  12          1HH2      ARG  12   2.944 -17.502 -14.218
   33   2HH1  ARG  12          2HH2      ARG  12   4.426 -16.593 -14.261
   34   1HH2  ARG  12          2HH1      ARG  12   2.919 -13.676 -15.620
   35   2HH2  ARG  12          1HH1      ARG  12   4.426 -14.405 -15.134
   36    H    TYR  13           H        TYR  13  -3.039 -17.372 -11.147
   37    HA   TYR  13           HA       TYR  13  -4.857 -19.666 -10.948
   38   1HB   TYR  13          2HB       TYR  13  -4.866 -16.917  -9.621
   39   2HB   TYR  13          3HB       TYR  13  -5.933 -18.266  -9.216
   40    HD1  TYR  13           HD2      TYR  13  -5.106 -20.241  -8.015
   41    HD2  TYR  13           HD1      TYR  13  -2.543 -16.880  -8.870
   42    HE1  TYR  13           HE2      TYR  13  -3.480 -21.040  -6.317
   43    HE2  TYR  13           HE1      TYR  13  -0.919 -17.690  -7.189
   44    HH   TYR  13           HH       TYR  13  -0.287 -19.635  -5.988
   45    H    ILE  14           H        ILE  14  -6.778 -19.757 -12.067
   46    HA   ILE  14           HA       ILE  14  -7.418 -17.534 -13.895
   47    HB   ILE  14           HB       ILE  14  -8.418 -20.395 -13.915
   48   1HG1  ILE  14          2HG1      ILE  14  -6.014 -18.980 -15.102
   49   2HG1  ILE  14          3HG1      ILE  14  -6.068 -20.522 -14.236
   50   1HG2  ILE  14          2HG2      ILE  14  -9.879 -18.744 -15.124
   51   2HG2  ILE  14          3HG2      ILE  14  -8.452 -18.222 -16.053
   52   3HG2  ILE  14          1HG2      ILE  14  -9.098 -19.870 -16.214
   53   1HD1  ILE  14          1HD1      ILE  14  -7.272 -21.478 -16.256
   54   2HD1  ILE  14          2HD1      ILE  14  -6.939 -19.921 -17.077
   55   3HD1  ILE  14          3HD1      ILE  14  -5.600 -20.940 -16.538
   56    H    CYS  15           H        CYS  15  -9.360 -16.572 -14.046
   57    HA   CYS  15           HA       CYS  15 -10.900 -16.130 -11.697
   58   1HB   CYS  15          2HB       CYS  15 -10.614 -14.442 -13.339
   59   2HB   CYS  15          3HB       CYS  15 -11.232 -15.477 -14.628
   60    H    SER  16           H        SER  16 -12.434 -17.299 -10.785
   61    HA   SER  16           HA       SER  16 -13.294 -19.764 -11.421
   62   1HB   SER  16          2HB       SER  16 -15.063 -17.688 -10.071
   63   2HB   SER  16          3HB       SER  16 -14.884 -19.407  -9.675
   64    HG   SER  16           HG       SER  16 -12.718 -18.919  -9.032
   65    H    PHE  17           H        PHE  17 -14.786 -16.721 -12.490
   66    HA   PHE  17           HA       PHE  17 -17.081 -17.958 -13.769
   67   1HB   PHE  17          2HB       PHE  17 -15.939 -15.164 -14.078
   68   2HB   PHE  17          3HB       PHE  17 -17.545 -15.701 -14.538
   69    HD1  PHE  17           HD2      PHE  17 -19.209 -16.374 -12.748
   70    HD2  PHE  17           HD1      PHE  17 -15.413 -14.570 -11.768
   71    HE1  PHE  17           HE2      PHE  17 -19.975 -16.005 -10.420
   72    HE2  PHE  17           HE1      PHE  17 -16.143 -14.321  -9.419
   73    HZ   PHE  17           HZ       PHE  17 -18.437 -15.004  -8.745
   74    H    ALA  18           H        ALA  18 -15.388 -19.485 -14.764
   75    HA   ALA  18           HA       ALA  18 -13.556 -19.576 -16.451
   76   1HB   ALA  18          1HB       ALA  18 -15.078 -21.443 -16.149
   77   2HB   ALA  18          2HB       ALA  18 -16.271 -20.703 -17.235
   78   3HB   ALA  18          3HB       ALA  18 -14.701 -21.240 -17.870
   79    H    ASP  19           H        ASP  19 -16.618 -18.682 -18.087
   80    HA   ASP  19           HA       ASP  19 -15.755 -18.088 -20.596
   81   1HB   ASP  19          2HB       ASP  19 -17.823 -16.518 -18.997
   82   2HB   ASP  19          3HB       ASP  19 -17.686 -16.561 -20.759
   83    H    CYS  20           H        CYS  20 -15.438 -15.959 -17.782
   84    HA   CYS  20           HA       CYS  20 -14.754 -13.527 -18.975
   85   1HB   CYS  20          2HB       CYS  20 -15.273 -14.002 -16.571
   86   2HB   CYS  20          3HB       CYS  20 -13.681 -14.761 -16.421
   87    H    GLY  21           H        GLY  21 -12.756 -16.425 -18.415
   88   1HA   GLY  21          2HA       GLY  21 -10.666 -17.010 -19.070
   89   2HA   GLY  21          3HA       GLY  21 -10.878 -15.870 -20.405
   90    H    ALA  22           H        ALA  22 -10.859 -14.742 -17.050
   91    HA   ALA  22           HA       ALA  22  -8.361 -13.226 -17.567
   92   1HB   ALA  22          2HB       ALA  22 -10.351 -13.105 -15.266
   93   2HB   ALA  22          3HB       ALA  22  -8.949 -12.042 -15.498
   94   3HB   ALA  22          1HB       ALA  22 -10.289 -12.011 -16.664
   95    H    ALA  23           H        ALA  23  -6.465 -13.518 -16.240
   96    HA   ALA  23           HA       ALA  23  -6.511 -15.530 -14.147
   97   1HB   ALA  23          2HB       ALA  23  -6.264 -16.855 -16.271
   98   2HB   ALA  23          3HB       ALA  23  -4.789 -15.930 -16.634
   99   3HB   ALA  23          1HB       ALA  23  -4.857 -16.973 -15.198
  100    H    TYR  24           H        TYR  24  -4.646 -15.293 -12.749
  101    HA   TYR  24           HA       TYR  24  -2.602 -13.297 -13.525
  102   1HB   TYR  24          2HB       TYR  24  -4.218 -12.943 -10.980
  103   2HB   TYR  24          3HB       TYR  24  -2.904 -11.942 -11.567
  104    HD1  TYR  24           HD2      TYR  24  -6.446 -12.862 -12.063
  105    HD2  TYR  24           HD1      TYR  24  -3.262 -10.321 -13.441
  106    HE1  TYR  24           HE2      TYR  24  -8.087 -11.439 -13.234
  107    HE2  TYR  24           HE1      TYR  24  -4.914  -8.791 -14.453
  108    HH   TYR  24           HH       TYR  24  -7.156  -8.235 -14.555
  109    H    ASN  25           H        ASN  25  -0.745 -13.310 -12.164
  110    HA   ASN  25           HA       ASN  25  -0.094 -15.944 -11.163
  111   1HB   ASN  25          2HB       ASN  25   2.098 -15.033 -10.789
  112   2HB   ASN  25          3HB       ASN  25   1.533 -14.645 -12.420
  113   1HD2  ASN  25          1HD2      ASN  25   3.153 -11.646 -10.678
  114   2HD2  ASN  25          2HD2      ASN  25   3.659 -13.323 -10.815
  115    H    LYS  26           H        LYS  26  -0.433 -12.709  -9.610
  116    HA   LYS  26           HA       LYS  26   0.032 -13.926  -6.964
  117   1HB   LYS  26          2HB       LYS  26  -0.753 -11.096  -7.721
  118   2HB   LYS  26          3HB       LYS  26  -0.279 -11.667  -6.119
  119   1HG   LYS  26          2HG       LYS  26   1.530 -11.680  -8.571
  120   2HG   LYS  26          3HG       LYS  26   1.496 -10.430  -7.333
  121   1HD   LYS  26          2HD       LYS  26   2.137 -12.128  -5.599
  122   2HD   LYS  26          3HD       LYS  26   2.197 -13.371  -6.858
  123   1HE   LYS  26          2HE       LYS  26   4.433 -12.602  -6.390
  124   2HE   LYS  26          3HE       LYS  26   3.978 -12.136  -8.036
  125   1HZ   LYS  26          3HZ       LYS  26   3.519  -9.921  -7.182
  126   2HZ   LYS  26          1HZ       LYS  26   3.992 -10.379  -5.669
  127   3HZ   LYS  26          2HZ       LYS  26   5.070 -10.375  -6.908
  128    H    ASN  27           H        ASN  27  -1.502 -14.604  -5.551
  129    HA   ASN  27           HA       ASN  27  -4.175 -14.986  -6.322
  130   1HB   ASN  27          2HB       ASN  27  -3.160 -16.233  -4.488
  131   2HB   ASN  27          3HB       ASN  27  -2.994 -14.746  -3.533
  132   1HD2  ASN  27          1HD2      ASN  27  -6.666 -16.559  -3.822
  133   2HD2  ASN  27          2HD2      ASN  27  -5.359 -17.076  -4.877
  134    H    TRP  28           H        TRP  28  -2.759 -12.301  -4.397
  135    HA   TRP  28           HA       TRP  28  -5.143 -10.927  -3.773
  136   1HB   TRP  28          2HB       TRP  28  -3.836  -9.047  -3.322
  137   2HB   TRP  28          3HB       TRP  28  -2.995 -10.469  -2.744
  138    HD1  TRP  28           HD1      TRP  28  -0.565 -10.774  -3.482
  139    HE1  TRP  28           HE1      TRP  28   1.098  -9.491  -4.938
  140    HE3  TRP  28           HE3      TRP  28  -3.798  -7.455  -5.714
  141    HZ2  TRP  28           HZ2      TRP  28   1.049  -7.317  -6.827
  142    HZ3  TRP  28           HZ3      TRP  28  -2.943  -5.810  -7.348
  143    HH2  TRP  28           HH2      TRP  28  -0.532  -5.697  -7.872
  144    H    LYS  29           H        LYS  29  -3.170 -10.854  -6.778
  145    HA   LYS  29           HA       LYS  29  -4.494  -8.627  -7.972
  146   1HB   LYS  29          2HB       LYS  29  -2.262  -9.692  -8.608
  147   2HB   LYS  29          3HB       LYS  29  -3.182 -11.010  -9.335
  148   1HG   LYS  29          2HG       LYS  29  -2.849  -9.698 -11.165
  149   2HG   LYS  29          3HG       LYS  29  -4.418  -9.106 -10.637
  150   1HD   LYS  29          2HD       LYS  29  -3.138  -7.201 -11.168
  151   2HD   LYS  29          3HD       LYS  29  -3.181  -7.234  -9.413
  152   1HE   LYS  29          2HE       LYS  29  -0.920  -6.660 -10.268
  153   2HE   LYS  29          3HE       LYS  29  -0.864  -8.159  -9.349
  154   1HZ   LYS  29          1HZ       LYS  29  -0.990  -7.991 -12.275
  155   2HZ   LYS  29          2HZ       LYS  29   0.371  -8.254 -11.383
  156   3HZ   LYS  29          3HZ       LYS  29  -0.835  -9.367 -11.379
  157    H    LEU  30           H        LEU  30  -4.939 -12.216  -8.168
  158    HA   LEU  30           HA       LEU  30  -7.211 -12.014  -9.835
  159   1HB   LEU  30          2HB       LEU  30  -5.975 -14.119  -9.581
  160   2HB   LEU  30          3HB       LEU  30  -6.454 -14.203  -7.880
  161    HG   LEU  30           HG       LEU  30  -8.843 -14.362  -8.555
  162   1HD1  LEU  30          2HD1      LEU  30  -8.727 -13.205 -10.794
  163   2HD1  LEU  30          3HD1      LEU  30  -7.773 -14.573 -11.412
  164   3HD1  LEU  30          1HD1      LEU  30  -9.446 -14.797 -10.893
  165   1HD2  LEU  30          1HD2      LEU  30  -7.425 -16.378  -8.200
  166   2HD2  LEU  30          2HD2      LEU  30  -8.771 -16.645  -9.333
  167   3HD2  LEU  30          3HD2      LEU  30  -7.128 -16.408  -9.956
  168    H    GLN  31           H        GLN  31  -6.893 -11.858  -6.255
  169    HA   GLN  31           HA       GLN  31  -9.705 -11.967  -5.714
  170   1HB   GLN  31          2HB       GLN  31  -7.593 -10.418  -4.168
  171   2HB   GLN  31          3HB       GLN  31  -9.225 -10.784  -3.660
  172   1HG   GLN  31          2HG       GLN  31  -6.814 -12.550  -3.722
  173   2HG   GLN  31          3HG       GLN  31  -8.076 -12.428  -2.523
  174   1HE2  GLN  31          1HE2      GLN  31  -8.341 -15.184  -5.542
  175   2HE2  GLN  31          2HE2      GLN  31  -7.044 -13.984  -5.486
  176    H    ALA  32           H        ALA  32  -7.534  -9.199  -6.352
  177    HA   ALA  32           HA       ALA  32  -9.533  -7.172  -6.246
  178   1HB   ALA  32          2HB       ALA  32  -7.081  -6.757  -6.277
  179   2HB   ALA  32          3HB       ALA  32  -7.012  -7.307  -7.966
  180   3HB   ALA  32          1HB       ALA  32  -7.919  -5.838  -7.550
  181    H    HIS  33           H        HIS  33  -8.492  -9.198  -9.035
  182    HA   HIS  33           HA       HIS  33 -10.372  -8.019 -10.838
  183   1HB   HIS  33          2HB       HIS  33  -8.581  -9.458 -11.578
  184   2HB   HIS  33          3HB       HIS  33  -9.270 -10.842 -10.723
  185    HD1  HIS  33           HD1      HIS  33  -9.494  -9.080 -14.002
  186    HD2  HIS  33           HD2      HIS  33 -11.718 -11.784 -11.663
  187    HE1  HIS  33           HE1      HIS  33 -11.366  -9.995 -15.498
  188    H    LEU  34           H        LEU  34 -10.722 -11.002  -8.854
  189    HA   LEU  34           HA       LEU  34 -13.364 -11.603  -9.486
  190   1HB   LEU  34          2HB       LEU  34 -11.809 -12.114  -6.945
  191   2HB   LEU  34          3HB       LEU  34 -13.409 -12.785  -7.239
  192    HG   LEU  34           HG       LEU  34 -11.060 -13.316  -9.087
  193   1HD1  LEU  34          2HD1      LEU  34 -10.608 -14.195  -6.816
  194   2HD1  LEU  34          3HD1      LEU  34 -12.191 -14.998  -6.804
  195   3HD1  LEU  34          1HD1      LEU  34 -10.939 -15.520  -7.947
  196   1HD2  LEU  34          2HD2      LEU  34 -13.779 -14.665  -8.782
  197   2HD2  LEU  34          3HD2      LEU  34 -13.246 -13.693 -10.174
  198   3HD2  LEU  34          1HD2      LEU  34 -12.460 -15.232  -9.821
  199    H    SER  35           H        SER  35 -12.213  -9.161  -7.166
  200    HA   SER  35           HA       SER  35 -14.593  -8.816  -5.741
  201   1HB   SER  35          2HB       SER  35 -13.878  -6.708  -5.095
  202   2HB   SER  35          3HB       SER  35 -12.392  -7.650  -5.309
  203    HG   SER  35           HG       SER  35 -12.190  -6.590  -7.370
  204    H    LYS  36           H        LYS  36 -13.890  -7.858  -9.099
  205    HA   LYS  36           HA       LYS  36 -16.031  -6.034  -9.505
  206   1HB   LYS  36          2HB       LYS  36 -14.803  -8.076 -11.412
  207   2HB   LYS  36          3HB       LYS  36 -15.848  -6.730 -11.883
  208   1HG   LYS  36          2HG       LYS  36 -14.216  -5.107 -11.043
  209   2HG   LYS  36          3HG       LYS  36 -13.136  -6.413 -10.521
  210   1HD   LYS  36          2HD       LYS  36 -13.006  -7.275 -12.838
  211   2HD   LYS  36          3HD       LYS  36 -14.053  -5.962 -13.404
  212   1HE   LYS  36          2HE       LYS  36 -11.319  -5.639 -12.087
  213   2HE   LYS  36          3HE       LYS  36 -11.649  -5.502 -13.824
  214   1HZ   LYS  36          3HZ       LYS  36 -13.120  -3.664 -13.327
  215   2HZ   LYS  36          1HZ       LYS  36 -12.721  -3.751 -11.728
  216   3HZ   LYS  36          2HZ       LYS  36 -11.575  -3.360 -12.844
  217    H    HIS  37           H        HIS  37 -15.923  -9.596  -9.581
  218    HA   HIS  37           HA       HIS  37 -18.727  -9.801 -10.499
  219   1HB   HIS  37          2HB       HIS  37 -16.703 -11.914  -9.721
  220   2HB   HIS  37          3HB       HIS  37 -18.274 -12.200 -10.469
  221    HD1  HIS  37           HD1      HIS  37 -18.472 -11.526 -13.107
  222    HD2  HIS  37           HD2      HIS  37 -14.686 -11.704 -11.309
  223    HE1  HIS  37           HE1      HIS  37 -16.790 -12.013 -14.970
  224    H    THR  38           H        THR  38 -16.740 -10.704  -7.694
  225    HA   THR  38           HA       THR  38 -18.974 -11.823  -6.210
  226    HB   THR  38           HB       THR  38 -17.279 -12.289  -4.533
  227    HG1  THR  38          1HG       THR  38 -15.464 -10.889  -6.211
  228   1HG2  THR  38          3HG2      THR  38 -17.386 -13.807  -6.486
  229   2HG2  THR  38          1HG2      THR  38 -16.139 -12.844  -7.312
  230   3HG2  THR  38          2HG2      THR  38 -15.751 -13.690  -5.806
  231    H    GLY  39           H        GLY  39 -17.238  -8.701  -6.147
  232   1HA   GLY  39          2HA       GLY  39 -17.714  -6.796  -4.954
  233   2HA   GLY  39          3HA       GLY  39 -19.100  -7.590  -4.197
  234    H    GLU  40           H        GLU  40 -16.301  -9.595  -3.910
  235    HA   GLU  40           HA       GLU  40 -16.180  -9.059  -1.047
  236   1HB   GLU  40          2HB       GLU  40 -14.675 -10.954  -2.890
  237   2HB   GLU  40          3HB       GLU  40 -14.412 -10.864  -1.144
  238   1HG   GLU  40          2HG       GLU  40 -16.741 -11.448  -0.685
  239   2HG   GLU  40          3HG       GLU  40 -17.123 -11.459  -2.408
  240    H    LYS  41           H        LYS  41 -14.485  -8.219   0.113
  241    HA   LYS  41           HA       LYS  41 -12.134  -7.075  -1.321
  242   1HB   LYS  41          2HB       LYS  41 -13.611  -5.563   0.851
  243   2HB   LYS  41          3HB       LYS  41 -12.337  -5.005  -0.243
  244   1HG   LYS  41          2HG       LYS  41 -14.063  -5.524  -2.156
  245   2HG   LYS  41          3HG       LYS  41 -15.240  -5.659  -0.834
  246   1HD   LYS  41          2HD       LYS  41 -15.542  -3.460  -1.353
  247   2HD   LYS  41          3HD       LYS  41 -14.264  -3.313  -0.134
  248   1HE   LYS  41          2HE       LYS  41 -12.585  -3.339  -2.076
  249   2HE   LYS  41          3HE       LYS  41 -13.972  -3.246  -3.178
  250   1HZ   LYS  41          2HZ       LYS  41 -14.591  -1.201  -2.016
  251   2HZ   LYS  41          3HZ       LYS  41 -13.217  -1.330  -1.099
  252   3HZ   LYS  41          1HZ       LYS  41 -13.100  -1.085  -2.718
  253    HA   PRO  42           HA       PRO  42 -11.293 -10.230   1.965
  254   1HB   PRO  42          2HB       PRO  42  -8.707 -10.152   0.408
  255   2HB   PRO  42          3HB       PRO  42  -9.510 -11.560   1.154
  256   1HG   PRO  42          2HG       PRO  42  -9.786 -11.042  -1.495
  257   2HG   PRO  42          3HG       PRO  42 -11.219 -11.543  -0.538
  258   1HD   PRO  42          2HD       PRO  42 -10.405  -8.815  -1.477
  259   2HD   PRO  42          3HD       PRO  42 -12.017  -9.559  -1.407
  260    H    PHE  43           H        PHE  43  -9.415  -7.254   1.360
  261    HA   PHE  43           HA       PHE  43  -7.985  -7.653   3.969
  262   1HB   PHE  43          2HB       PHE  43  -7.189  -6.140   1.483
  263   2HB   PHE  43          3HB       PHE  43  -6.357  -6.075   3.023
  264    HD1  PHE  43           HD1      PHE  43  -5.197  -8.057   3.960
  265    HD2  PHE  43           HD2      PHE  43  -7.097  -8.255   0.090
  266    HE1  PHE  43           HE1      PHE  43  -4.030 -10.187   3.477
  267    HE2  PHE  43           HE2      PHE  43  -5.858 -10.316  -0.417
  268    HZ   PHE  43           HZ       PHE  43  -4.319 -11.299   1.274
  269    HA   PRO  44           HA       PRO  44 -10.845  -4.094   4.602
  270   1HB   PRO  44          2HB       PRO  44 -11.885  -4.739   7.026
  271   2HB   PRO  44          3HB       PRO  44 -12.479  -5.490   5.515
  272   1HG   PRO  44          2HG       PRO  44 -10.424  -6.614   7.445
  273   2HG   PRO  44          3HG       PRO  44 -11.874  -7.437   6.798
  274   1HD   PRO  44          2HD       PRO  44  -9.413  -7.774   5.682
  275   2HD   PRO  44          3HD       PRO  44 -10.889  -7.692   4.672
  276    H    CYS  45           H        CYS  45 -10.442  -2.291   5.905
  277    HA   CYS  45           HA       CYS  45  -7.833  -2.209   7.279
  278   1HB   CYS  45          2HB       CYS  45  -8.502  -0.460   5.692
  279   2HB   CYS  45          3HB       CYS  45  -9.910  -0.097   6.697
  280    H    LYS  46           H        LYS  46  -7.651  -2.431   9.429
  281    HA   LYS  46           HA       LYS  46  -9.963  -3.238  10.923
  282   1HB   LYS  46          2HB       LYS  46  -7.133  -2.888  11.889
  283   2HB   LYS  46          3HB       LYS  46  -8.423  -3.820  12.661
  284   1HG   LYS  46          2HG       LYS  46  -7.138  -4.385   9.962
  285   2HG   LYS  46          3HG       LYS  46  -6.914  -5.298  11.460
  286   1HD   LYS  46          2HD       LYS  46  -9.382  -5.866  11.396
  287   2HD   LYS  46          3HD       LYS  46  -9.472  -5.099   9.797
  288   1HE   LYS  46          2HE       LYS  46  -7.728  -7.490  10.519
  289   2HE   LYS  46          3HE       LYS  46  -9.228  -7.517   9.580
  290   1HZ   LYS  46          2HZ       LYS  46  -8.127  -6.063   7.970
  291   2HZ   LYS  46          3HZ       LYS  46  -6.723  -6.199   8.815
  292   3HZ   LYS  46          1HZ       LYS  46  -7.391  -7.535   8.124
  293    H    GLU  47           H        GLU  47  -8.802  -0.080  10.423
  294    HA   GLU  47           HA       GLU  47  -9.087   0.943  13.080
  295   1HB   GLU  47          2HB       GLU  47  -9.256   2.284  10.359
  296   2HB   GLU  47          3HB       GLU  47  -9.376   3.149  11.909
  297   1HG   GLU  47          2HG       GLU  47  -7.167   2.059  12.567
  298   2HG   GLU  47          3HG       GLU  47  -6.995   1.555  10.876
  299    H    GLU  48           H        GLU  48 -10.813   1.096  14.262
  300    HA   GLU  48           HA       GLU  48 -13.473   0.499  13.360
  301   1HB   GLU  48          2HB       GLU  48 -12.460   1.610  16.010
  302   2HB   GLU  48          3HB       GLU  48 -14.084   0.977  15.703
  303   1HG   GLU  48          2HG       GLU  48 -13.131  -1.241  15.122
  304   2HG   GLU  48          3HG       GLU  48 -11.499  -0.643  15.448
  305    H    GLY  49           H        GLY  49 -13.353   2.186  11.659
  306   1HA   GLY  49          2HA       GLY  49 -15.252   4.169  11.860
  307   2HA   GLY  49          3HA       GLY  49 -13.736   5.004  12.289
  308    H    CYS  50           H        CYS  50 -11.826   4.122  10.861
  309    HA   CYS  50           HA       CYS  50 -12.443   4.614   8.018
  310   1HB   CYS  50          2HB       CYS  50 -10.577   5.745   8.900
  311   2HB   CYS  50          3HB       CYS  50  -9.937   4.315   9.683
  312    H    GLU  51           H        GLU  51 -13.907   2.539   8.596
  313    HA   GLU  51           HA       GLU  51 -12.493   0.001   8.410
  314   1HB   GLU  51          2HB       GLU  51 -14.583   0.465   9.752
  315   2HB   GLU  51          3HB       GLU  51 -15.476   0.503   8.218
  316   1HG   GLU  51          2HG       GLU  51 -14.688  -1.821   7.749
  317   2HG   GLU  51          3HG       GLU  51 -13.776  -1.808   9.268
  318    H    LYS  52           H        LYS  52 -11.454   1.043   6.397
  319    HA   LYS  52           HA       LYS  52 -12.932   1.072   3.908
  320   1HB   LYS  52          2HB       LYS  52  -9.962   0.619   4.342
  321   2HB   LYS  52          3HB       LYS  52 -10.719   1.150   2.844
  322   1HG   LYS  52          2HG       LYS  52 -10.687   2.767   5.437
  323   2HG   LYS  52          3HG       LYS  52  -9.513   2.914   4.155
  324   1HD   LYS  52          2HD       LYS  52 -10.817   4.303   2.992
  325   2HD   LYS  52          3HD       LYS  52 -12.120   3.119   2.910
  326   1HE   LYS  52          2HE       LYS  52 -11.638   5.045   5.237
  327   2HE   LYS  52          3HE       LYS  52 -12.815   5.283   3.937
  328   1HZ   LYS  52          1HZ       LYS  52 -13.920   3.290   4.619
  329   2HZ   LYS  52          2HZ       LYS  52 -12.834   3.044   5.829
  330   3HZ   LYS  52          3HZ       LYS  52 -13.831   4.355   5.873
  331    H    GLY  53           H        GLY  53 -12.509  -0.473   2.104
  332   1HA   GLY  53          2HA       GLY  53 -12.074  -3.321   2.963
  333   2HA   GLY  53          3HA       GLY  53 -13.334  -2.806   1.850
  334    H    PHE  54           H        PHE  54  -9.928  -3.573   2.161
  335    HA   PHE  54           HA       PHE  54  -9.430  -2.624  -0.625
  336   1HB   PHE  54          2HB       PHE  54  -7.542  -3.251   1.642
  337   2HB   PHE  54          3HB       PHE  54  -7.035  -3.139  -0.030
  338    HD1  PHE  54           HD1      PHE  54  -7.349  -1.032  -1.344
  339    HD2  PHE  54           HD2      PHE  54  -8.313  -1.196   2.847
  340    HE1  PHE  54           HE1      PHE  54  -7.359   1.428  -1.251
  341    HE2  PHE  54           HE2      PHE  54  -8.200   1.278   2.960
  342    HZ   PHE  54           HZ       PHE  54  -7.799   2.599   0.898
  343    H    THR  55           H        THR  55  -8.662  -4.086  -2.205
  344    HA   THR  55           HA       THR  55  -9.506  -6.870  -1.782
  345    HB   THR  55           HB       THR  55  -8.958  -6.829  -4.270
  346    HG1  THR  55          1HG       THR  55  -8.994  -4.635  -5.107
  347   1HG2  THR  55          1HG2      THR  55 -11.111  -4.981  -3.128
  348   2HG2  THR  55          2HG2      THR  55 -11.088  -5.585  -4.792
  349   3HG2  THR  55          3HG2      THR  55 -11.264  -6.723  -3.446
  350    H    SER  56           H        SER  56  -6.562  -5.184  -1.335
  351    HA   SER  56           HA       SER  56  -5.128  -7.747  -1.461
  352   1HB   SER  56          2HB       SER  56  -3.338  -6.810  -2.858
  353   2HB   SER  56          3HB       SER  56  -4.887  -6.921  -3.716
  354    HG   SER  56           HG       SER  56  -5.185  -4.719  -3.383
  355    H    LEU  57           H        LEU  57  -3.442  -7.867  -0.081
  356    HA   LEU  57           HA       LEU  57  -3.295  -6.162   2.135
  357   1HB   LEU  57          2HB       LEU  57  -2.423  -8.479   2.108
  358   2HB   LEU  57          3HB       LEU  57  -1.169  -8.017   0.961
  359    HG   LEU  57           HG       LEU  57  -0.125  -6.565   2.647
  360   1HD1  LEU  57          2HD1      LEU  57  -2.403  -7.476   4.464
  361   2HD1  LEU  57          3HD1      LEU  57  -0.924  -6.671   5.027
  362   3HD1  LEU  57          1HD1      LEU  57  -2.039  -5.806   3.971
  363   1HD2  LEU  57          3HD2      LEU  57   0.488  -8.953   2.524
  364   2HD2  LEU  57          1HD2      LEU  57   0.634  -8.321   4.175
  365   3HD2  LEU  57          2HD2      LEU  57  -0.754  -9.336   3.735
  366    H    HIS  58           H        HIS  58  -1.445  -6.220  -0.921
  367    HA   HIS  58           HA       HIS  58   0.470  -4.287  -0.260
  368   1HB   HIS  58          2HB       HIS  58   1.125  -4.408  -2.384
  369   2HB   HIS  58          3HB       HIS  58   0.103  -5.816  -2.436
  370    HD1  HIS  58           HD1      HIS  58  -1.925  -5.624  -4.249
  371    HD2  HIS  58           HD2      HIS  58   0.059  -2.036  -3.334
  372    HE1  HIS  58           HE1      HIS  58  -2.923  -3.832  -5.748
  373    H    HIS  59           H        HIS  59  -2.806  -3.829  -1.731
  374    HA   HIS  59           HA       HIS  59  -2.515  -1.031  -1.911
  375   1HB   HIS  59          2HB       HIS  59  -4.214  -2.428  -3.104
  376   2HB   HIS  59          3HB       HIS  59  -5.185  -2.407  -1.618
  377    HD1  HIS  59           HD1      HIS  59  -4.100   0.793  -1.131
  378    HD2  HIS  59           HD2      HIS  59  -5.860  -0.944  -4.550
  379    HE1  HIS  59           HE1      HIS  59  -4.852   2.729  -2.637
  380    HE2  HIS  59           HE2      HIS  59  -5.927   1.648  -4.712
  381    H    LEU  60           H        LEU  60  -3.838  -3.148   0.642
  382    HA   LEU  60           HA       LEU  60  -4.717  -1.104   2.372
  383   1HB   LEU  60          2HB       LEU  60  -5.182  -3.588   2.570
  384   2HB   LEU  60          3HB       LEU  60  -3.529  -3.796   3.161
  385    HG   LEU  60           HG       LEU  60  -4.083  -2.214   5.065
  386   1HD1  LEU  60          3HD1      LEU  60  -6.931  -2.603   4.021
  387   2HD1  LEU  60          1HD1      LEU  60  -6.472  -1.857   5.566
  388   3HD1  LEU  60          2HD1      LEU  60  -6.055  -1.054   4.061
  389   1HD2  LEU  60          3HD2      LEU  60  -4.125  -4.687   5.319
  390   2HD2  LEU  60          1HD2      LEU  60  -5.337  -3.890   6.338
  391   3HD2  LEU  60          2HD2      LEU  60  -5.838  -4.695   4.840
  392    H    THR  61           H        THR  61  -1.509  -2.586   1.935
  393    HA   THR  61           HA       THR  61  -0.186  -1.341   4.109
  394    HB   THR  61           HB       THR  61   1.023  -2.200   1.459
  395    HG1  THR  61          1HG       THR  61  -0.161  -3.849   2.595
  396   1HG2  THR  61          3HG2      THR  61   2.247  -1.844   4.225
  397   2HG2  THR  61          1HG2      THR  61   3.059  -2.531   2.807
  398   3HG2  THR  61          2HG2      THR  61   2.577  -0.827   2.804
  399    H    ARG  62           H        ARG  62  -0.318  -0.290   0.607
  400    HA   ARG  62           HA       ARG  62   1.031   2.158   1.263
  401   1HB   ARG  62          2HB       ARG  62   0.380   3.063  -0.877
  402   2HB   ARG  62          3HB       ARG  62   1.142   1.468  -0.959
  403   1HG   ARG  62          2HG       ARG  62  -1.046   0.427  -1.258
  404   2HG   ARG  62          3HG       ARG  62  -1.847   2.016  -1.234
  405   1HD   ARG  62          2HD       ARG  62  -0.859   2.670  -3.279
  406   2HD   ARG  62          3HD       ARG  62   0.397   1.439  -3.182
  407    HE   ARG  62           HE       ARG  62  -1.271  -0.308  -3.531
  408   1HH1  ARG  62          1HH1      ARG  62  -2.218   2.932  -4.698
  409   2HH1  ARG  62          2HH1      ARG  62  -3.220   2.269  -5.958
  410   1HH2  ARG  62          2HH2      ARG  62  -2.518  -1.099  -5.115
  411   2HH2  ARG  62          1HH2      ARG  62  -3.507  -0.080  -6.129
  412    H    HIS  63           H        HIS  63  -2.463   1.342   1.236
  413    HA   HIS  63           HA       HIS  63  -3.471   3.957   1.726
  414   1HB   HIS  63          2HB       HIS  63  -4.987   2.151   1.267
  415   2HB   HIS  63          3HB       HIS  63  -4.390   1.199   2.623
  416    HD1  HIS  63           HD1      HIS  63  -6.142   4.637   2.250
  417    HD2  HIS  63           HD2      HIS  63  -5.719   1.367   4.860
  418    HE1  HIS  63           HE1      HIS  63  -7.568   5.143   4.306
  419    H    SER  64           H        SER  64  -2.144   1.523   4.011
  420    HA   SER  64           HA       SER  64  -2.621   2.943   6.381
  421   1HB   SER  64          2HB       SER  64  -0.244   1.131   5.827
  422   2HB   SER  64          3HB       SER  64  -0.894   1.600   7.402
  423    HG   SER  64           HG       SER  64  -2.320   0.157   5.396
  424    H    LEU  65           H        LEU  65  -0.244   3.750   3.878
  425    HA   LEU  65           HA       LEU  65   1.631   5.200   5.421
  426   1HB   LEU  65          2HB       LEU  65   0.522   5.898   2.691
  427   2HB   LEU  65          3HB       LEU  65   1.963   6.599   3.412
  428    HG   LEU  65           HG       LEU  65   1.727   3.629   2.848
  429   1HD1  LEU  65          3HD1      LEU  65   2.960   5.884   1.205
  430   2HD1  LEU  65          1HD1      LEU  65   3.095   4.152   0.819
  431   3HD1  LEU  65          2HD1      LEU  65   1.515   4.961   0.759
  432   1HD2  LEU  65          2HD2      LEU  65   3.475   4.241   4.509
  433   2HD2  LEU  65          3HD2      LEU  65   4.171   3.660   2.993
  434   3HD2  LEU  65          1HD2      LEU  65   4.155   5.399   3.335
  435    H    THR  66           H        THR  66  -1.699   5.987   4.454
  436    HA   THR  66           HA       THR  66  -1.567   8.786   5.073
  437    HB   THR  66           HB       THR  66  -3.968   8.741   5.002
  438    HG1  THR  66          1HG       THR  66  -3.850   5.910   4.868
  439   1HG2  THR  66          3HG2      THR  66  -2.708   8.514   2.829
  440   2HG2  THR  66          1HG2      THR  66  -2.982   6.763   2.878
  441   3HG2  THR  66          2HG2      THR  66  -4.360   7.870   2.788
  442    H    HIS  67           H        HIS  67  -2.022   5.893   7.044
  443    HA   HIS  67           HA       HIS  67  -3.048   7.318   9.385
  444   1HB   HIS  67          2HB       HIS  67  -2.017   4.465   9.044
  445   2HB   HIS  67          3HB       HIS  67  -2.853   5.104  10.449
  446    HD1  HIS  67           HD1      HIS  67  -4.626   6.574   7.636
  447    HD2  HIS  67           HD2      HIS  67  -4.296   2.707   9.259
  448    HE1  HIS  67           HE1      HIS  67  -6.629   5.300   6.817
  449    H    THR  68           H        THR  68   0.010   5.679   8.394
  450    HA   THR  68           HA       THR  68   1.409   6.449  10.810
  451    HB   THR  68           HB       THR  68   3.396   5.684   9.418
  452    HG1  THR  68          1HG       THR  68   2.887   4.800   7.420
  453   1HG2  THR  68          2HG2      THR  68   0.947   3.836   9.499
  454   2HG2  THR  68          3HG2      THR  68   2.639   3.318   9.339
  455   3HG2  THR  68          1HG2      THR  68   2.087   4.101  10.832
  456    H    GLY  69           H        GLY  69   0.708   8.014   7.744
  457   1HA   GLY  69          2HA       GLY  69   0.976  10.194   7.118
  458   2HA   GLY  69          3HA       GLY  69   1.750  10.566   8.672
  459    H    GLU  70           H        GLU  70   2.729   7.956   6.479
  460    HA   GLU  70           HA       GLU  70   5.471   8.974   6.436
  461   1HB   GLU  70          2HB       GLU  70   4.128   6.501   5.346
  462   2HB   GLU  70          3HB       GLU  70   5.851   6.827   5.100
  463   1HG   GLU  70          2HG       GLU  70   6.261   6.927   7.492
  464   2HG   GLU  70          3HG       GLU  70   4.546   6.683   7.821
  465    H    LYS  71           H        LYS  71   3.951  10.860   5.290
  466    HA   LYS  71           HA       LYS  71   3.840  10.724   2.379
  467   1HB   LYS  71          2HB       LYS  71   2.212  11.820   3.907
  468   2HB   LYS  71          3HB       LYS  71   3.457  12.977   4.385
  469   1HG   LYS  71          2HG       LYS  71   3.515  13.866   2.077
  470   2HG   LYS  71          3HG       LYS  71   2.327  12.639   1.574
  471   1HD   LYS  71          2HD       LYS  71   0.722  13.513   3.286
  472   2HD   LYS  71          3HD       LYS  71   1.881  14.778   3.723
  473   1HE   LYS  71          2HE       LYS  71   0.675  14.391   0.951
  474   2HE   LYS  71          3HE       LYS  71   0.052  15.522   2.167
  475   1HZ   LYS  71          2HZ       LYS  71   2.743  15.625   0.993
  476   2HZ   LYS  71          3HZ       LYS  71   1.480  16.602   0.611
  477   3HZ   LYS  71          1HZ       LYS  71   2.138  16.663   2.123
  478    H    ASN  72           H        ASN  72   6.247  10.063   2.525
  479    HA   ASN  72           HA       ASN  72   8.106  12.412   2.754
  480   1HB   ASN  72          2HB       ASN  72   8.731   9.452   2.839
  481   2HB   ASN  72          3HB       ASN  72   9.867  10.775   3.101
  482   1HD2  ASN  72          1HD2      ASN  72   7.552   9.502   6.182
  483   2HD2  ASN  72          2HD2      ASN  72   7.349   8.829   4.566
  484    H    PHE  73           H        PHE  73   6.540  10.942   0.182
  485    HA   PHE  73           HA       PHE  73   8.918  10.383  -1.411
  486   1HB   PHE  73          2HB       PHE  73   5.992  10.539  -2.156
  487   2HB   PHE  73          3HB       PHE  73   7.296  10.156  -3.273
  488    HD1  PHE  73           HD2      PHE  73   8.915   8.285  -2.688
  489    HD2  PHE  73           HD1      PHE  73   5.330   8.880  -0.427
  490    HE1  PHE  73           HE2      PHE  73   9.086   5.984  -1.837
  491    HE2  PHE  73           HE1      PHE  73   5.451   6.562   0.411
  492    HZ   PHE  73           HZ       PHE  73   7.331   5.081  -0.300
  493    H    THR  74           H        THR  74  10.071  12.146  -1.167
  494    HA   THR  74           HA       THR  74   9.316  14.820  -1.758
  495    HB   THR  74           HB       THR  74  12.038  13.539  -1.458
  496    HG1  THR  74          1HG       THR  74  10.554  13.203   0.319
  497   1HG2  THR  74          3HG2      THR  74  11.104  16.429  -1.155
  498   2HG2  THR  74          1HG2      THR  74  12.697  15.810  -0.670
  499   3HG2  THR  74          2HG2      THR  74  12.237  15.803  -2.380
  500    H    CYS  75           H        CYS  75   9.023  15.718  -3.662
  501    HA   CYS  75           HA       CYS  75   9.766  14.729  -6.219
  502   1HB   CYS  75          2HB       CYS  75   8.024  16.387  -5.958
  503   2HB   CYS  75          3HB       CYS  75   9.106  17.477  -5.113
  504    H    ASP  76           H        ASP  76  11.806  14.559  -7.030
  505    HA   ASP  76           HA       ASP  76  14.060  15.830  -5.717
  506   1HB   ASP  76          2HB       ASP  76  14.230  13.587  -6.595
  507   2HB   ASP  76          3HB       ASP  76  13.855  14.151  -8.239
  508    H    SER  77           H        SER  77  13.065  18.010  -6.007
  509    HA   SER  77           HA       SER  77  14.362  19.371  -8.271
  510   1HB   SER  77          2HB       SER  77  12.054  18.865  -9.107
  511   2HB   SER  77          3HB       SER  77  11.383  19.727  -7.709
  512    HG   SER  77           HG       SER  77  12.450  21.612  -8.478
  513    H    ASP  78           H        ASP  78  15.552  20.872  -7.203
  514    HA   ASP  78           HA       ASP  78  15.312  21.564  -4.514
  515   1HB   ASP  78          2HB       ASP  78  16.428  23.247  -6.803
  516   2HB   ASP  78          3HB       ASP  78  16.739  23.517  -5.084
  517    H    GLY  79           H        GLY  79  14.202  23.138  -3.368
  518   1HA   GLY  79          2HA       GLY  79  12.785  24.931  -2.964
  519   2HA   GLY  79          3HA       GLY  79  12.647  25.258  -4.701
  520    H    CYS  80           H        CYS  80  11.687  23.134  -5.867
  521    HA   CYS  80           HA       CYS  80   8.972  22.754  -4.801
  522   1HB   CYS  80          2HB       CYS  80   9.383  23.172  -7.178
  523   2HB   CYS  80          3HB       CYS  80  10.383  21.733  -7.291
  524    H    ASP  81           H        ASP  81  10.678  21.744  -2.914
  525    HA   ASP  81           HA       ASP  81  11.076  18.847  -3.334
  526   1HB   ASP  81          2HB       ASP  81  11.545  20.612  -0.917
  527   2HB   ASP  81          3HB       ASP  81  11.989  18.907  -1.054
  528    H    LEU  82           H        LEU  82   8.526  19.214  -3.829
  529    HA   LEU  82           HA       LEU  82   6.752  19.203  -1.551
  530   1HB   LEU  82          2HB       LEU  82   6.398  18.220  -4.400
  531   2HB   LEU  82          3HB       LEU  82   5.088  18.360  -3.213
  532    HG   LEU  82           HG       LEU  82   6.762  20.703  -4.186
  533   1HD1  LEU  82          3HD1      LEU  82   5.468  19.703  -6.046
  534   2HD1  LEU  82          1HD1      LEU  82   3.985  19.777  -5.067
  535   3HD1  LEU  82          2HD1      LEU  82   4.793  21.271  -5.582
  536   1HD2  LEU  82          2HD2      LEU  82   4.133  20.557  -2.629
  537   2HD2  LEU  82          3HD2      LEU  82   5.694  21.132  -1.998
  538   3HD2  LEU  82          1HD2      LEU  82   4.864  22.045  -3.262
  539    H    ARG  83           H        ARG  83   6.307  17.520  -0.171
  540    HA   ARG  83           HA       ARG  83   7.367  14.826  -0.829
  541   1HB   ARG  83          2HB       ARG  83   6.325  15.726   1.845
  542   2HB   ARG  83          3HB       ARG  83   7.358  14.349   1.422
  543   1HG   ARG  83          2HG       ARG  83   9.038  16.210   0.566
  544   2HG   ARG  83          3HG       ARG  83   8.070  17.289   1.583
  545   1HD   ARG  83          2HD       ARG  83   9.785  14.931   2.331
  546   2HD   ARG  83          3HD       ARG  83   9.829  16.570   3.004
  547    HE   ARG  83           HE       ARG  83   7.333  15.687   3.713
  548   1HH1  ARG  83          1HH2      ARG  83  10.575  14.378   4.334
  549   2HH1  ARG  83          2HH2      ARG  83   9.943  13.019   5.259
  550   1HH2  ARG  83          2HH1      ARG  83   6.610  13.779   4.771
  551   2HH2  ARG  83          1HH1      ARG  83   7.759  12.852   5.717
  552    H    PHE  84           H        PHE  84   5.994  13.379  -1.624
  553    HA   PHE  84           HA       PHE  84   3.064  13.745  -1.261
  554   1HB   PHE  84          2HB       PHE  84   4.562  12.147  -3.345
  555   2HB   PHE  84          3HB       PHE  84   2.874  12.630  -3.374
  556    HD1  PHE  84           HD1      PHE  84   2.828  15.493  -2.836
  557    HD2  PHE  84           HD2      PHE  84   5.966  13.347  -4.792
  558    HE1  PHE  84           HE1      PHE  84   3.146  17.396  -4.383
  559    HE2  PHE  84           HE2      PHE  84   6.222  15.194  -6.422
  560    HZ   PHE  84           HZ       PHE  84   4.834  17.254  -6.184
  561    H    THR  85           H        THR  85   1.796  11.653  -1.604
  562    HA   THR  85           HA       THR  85   2.252   9.906   0.619
  563    HB   THR  85           HB       THR  85   0.092   8.915  -0.526
  564    HG1  THR  85          1HG       THR  85   0.192   9.897  -2.533
  565   1HG2  THR  85          1HG2      THR  85   0.113  10.384   1.501
  566   2HG2  THR  85          2HG2      THR  85   0.127  11.815   0.438
  567   3HG2  THR  85          3HG2      THR  85  -1.253  10.699   0.419
  568    H    THR  86           H        THR  86   2.359   9.265  -2.992
  569    HA   THR  86           HA       THR  86   4.006   6.883  -2.279
  570    HB   THR  86           HB       THR  86   2.860   5.472  -3.803
  571    HG1  THR  86          1HG       THR  86   1.127   7.638  -4.370
  572   1HG2  THR  86          3HG2      THR  86   1.839   5.600  -1.541
  573   2HG2  THR  86          1HG2      THR  86   0.671   6.795  -2.146
  574   3HG2  THR  86          2HG2      THR  86   0.676   5.148  -2.799
  575    H    LYS  87           H        LYS  87   5.337   6.130  -4.088
  576    HA   LYS  87           HA       LYS  87   6.565   8.269  -5.458
  577   1HB   LYS  87          2HB       LYS  87   6.655   5.271  -6.043
  578   2HB   LYS  87          3HB       LYS  87   7.542   6.508  -6.947
  579   1HG   LYS  87          2HG       LYS  87   8.478   7.301  -4.706
  580   2HG   LYS  87          3HG       LYS  87   7.914   5.745  -4.055
  581   1HD   LYS  87          2HD       LYS  87   9.329   4.551  -5.654
  582   2HD   LYS  87          3HD       LYS  87   9.792   6.052  -6.460
  583   1HE   LYS  87          2HE       LYS  87  10.452   5.342  -3.564
  584   2HE   LYS  87          3HE       LYS  87  11.536   5.109  -4.937
  585   1HZ   LYS  87          1HZ       LYS  87  10.474   7.701  -4.068
  586   2HZ   LYS  87          2HZ       LYS  87  11.991   7.127  -3.778
  587   3HZ   LYS  87          3HZ       LYS  87  11.513   7.442  -5.321
  588    H    ALA  88           H        ALA  88   3.696   6.336  -6.409
  589    HA   ALA  88           HA       ALA  88   3.858   7.109  -9.171
  590   1HB   ALA  88          3HB       ALA  88   1.407   6.378  -7.540
  591   2HB   ALA  88          1HB       ALA  88   1.514   6.568  -9.314
  592   3HB   ALA  88          2HB       ALA  88   2.450   5.292  -8.505
  593    H    ASN  89           H        ASN  89   2.448   8.721  -6.283
  594    HA   ASN  89           HA       ASN  89   1.178  10.865  -7.730
  595   1HB   ASN  89          2HB       ASN  89   2.435  10.992  -4.964
  596   2HB   ASN  89          3HB       ASN  89   1.287  12.145  -5.640
  597   1HD2  ASN  89          1HD2      ASN  89  -1.588  10.033  -4.974
  598   2HD2  ASN  89          2HD2      ASN  89  -1.038  11.338  -5.999
  599    H    MET  90           H        MET  90   4.418  10.401  -6.308
  600    HA   MET  90           HA       MET  90   5.564  12.887  -7.013
  601   1HB   MET  90          2HB       MET  90   6.534  11.176  -5.423
  602   2HB   MET  90          3HB       MET  90   6.904  10.171  -6.820
  603   1HG   MET  90          2HG       MET  90   8.370  12.000  -7.716
  604   2HG   MET  90          3HG       MET  90   8.077  12.888  -6.215
  605   1HE   MET  90          2HE       MET  90   9.498   9.608  -7.858
  606   2HE   MET  90          3HE       MET  90  10.423   8.897  -6.510
  607   3HE   MET  90          1HE       MET  90   8.662   8.871  -6.466
  608    H    LYS  91           H        LYS  91   5.607   9.814  -8.841
  609    HA   LYS  91           HA       LYS  91   7.059  10.785 -11.085
  610   1HB   LYS  91          2HB       LYS  91   4.976   8.590 -10.812
  611   2HB   LYS  91          3HB       LYS  91   5.918   8.863 -12.282
  612   1HG   LYS  91          2HG       LYS  91   7.134   8.160  -9.564
  613   2HG   LYS  91          3HG       LYS  91   6.767   7.026 -10.866
  614   1HD   LYS  91          2HD       LYS  91   8.325   8.461 -12.340
  615   2HD   LYS  91          3HD       LYS  91   8.820   9.273 -10.829
  616   1HE   LYS  91          2HE       LYS  91   9.469   7.095  -9.860
  617   2HE   LYS  91          3HE       LYS  91   8.959   6.265 -11.352
  618   1HZ   LYS  91          1HZ       LYS  91  10.627   7.496 -12.529
  619   2HZ   LYS  91          2HZ       LYS  91  11.105   8.261 -11.149
  620   3HZ   LYS  91          3HZ       LYS  91  11.303   6.631 -11.300
  621    H    LYS  92           H        LYS  92   3.489  10.478 -10.632
  622    HA   LYS  92           HA       LYS  92   2.740  11.676 -13.069
  623   1HB   LYS  92          2HB       LYS  92   1.393  11.638 -10.328
  624   2HB   LYS  92          3HB       LYS  92   0.691  12.443 -11.734
  625   1HG   LYS  92          2HG       LYS  92   0.864  10.288 -13.013
  626   2HG   LYS  92          3HG       LYS  92   1.418   9.487 -11.532
  627   1HD   LYS  92          2HD       LYS  92  -0.908   9.004 -11.652
  628   2HD   LYS  92          3HD       LYS  92  -0.832  10.340 -10.500
  629   1HE   LYS  92          2HE       LYS  92  -2.590  10.859 -11.984
  630   2HE   LYS  92          3HE       LYS  92  -1.255  11.917 -12.459
  631   1HZ   LYS  92          2HZ       LYS  92  -1.934   9.392 -13.789
  632   2HZ   LYS  92          3HZ       LYS  92  -2.324  10.895 -14.340
  633   3HZ   LYS  92          1HZ       LYS  92  -0.748  10.438 -14.246
  634    H    HIS  93           H        HIS  93   3.266  13.339  -9.892
  635    HA   HIS  93           HA       HIS  93   2.812  15.965 -10.856
  636   1HB   HIS  93          2HB       HIS  93   3.019  15.680  -8.501
  637   2HB   HIS  93          3HB       HIS  93   4.578  14.861  -8.649
  638    HD1  HIS  93           HD1      HIS  93   3.177  18.428  -9.295
  639    HD2  HIS  93           HD2      HIS  93   6.758  16.327  -8.629
  640    HE1  HIS  93           HE1      HIS  93   5.010  20.179  -8.979
  641    H    PHE  94           H        PHE  94   5.913  14.175 -10.558
  642    HA   PHE  94           HA       PHE  94   7.542  16.167 -11.587
  643   1HB   PHE  94          2HB       PHE  94   8.243  14.015 -10.449
  644   2HB   PHE  94          3HB       PHE  94   8.022  13.193 -11.988
  645    HD1  PHE  94           HD1      PHE  94   9.529  13.808 -13.945
  646    HD2  PHE  94           HD2      PHE  94  10.115  15.480 -10.005
  647    HE1  PHE  94           HE1      PHE  94  11.755  14.651 -14.624
  648    HE2  PHE  94           HE2      PHE  94  12.355  16.291 -10.689
  649    HZ   PHE  94           HZ       PHE  94  13.171  15.894 -12.999
  650    H    ASN  95           H        ASN  95   5.818  13.614 -13.313
  651    HA   ASN  95           HA       ASN  95   6.724  14.172 -15.943
  652   1HB   ASN  95          2HB       ASN  95   4.294  12.834 -14.760
  653   2HB   ASN  95          3HB       ASN  95   4.295  13.230 -16.471
  654   1HD2  ASN  95          1HD2      ASN  95   6.552  10.120 -15.118
  655   2HD2  ASN  95          2HD2      ASN  95   5.695  11.177 -13.995
  656    H    ARG  96           H        ARG  96   3.642  15.019 -14.431
  657    HA   ARG  96           HA       ARG  96   2.554  16.756 -16.241
  658   1HB   ARG  96          2HB       ARG  96   1.591  15.668 -14.208
  659   2HB   ARG  96          3HB       ARG  96   2.304  16.950 -13.213
  660   1HG   ARG  96          2HG       ARG  96   0.921  18.582 -14.676
  661   2HG   ARG  96          3HG       ARG  96   0.152  17.142 -15.361
  662   1HD   ARG  96          2HD       ARG  96   0.034  18.185 -12.511
  663   2HD   ARG  96          3HD       ARG  96  -1.288  17.932 -13.662
  664    HE   ARG  96           HE       ARG  96   0.224  15.529 -12.830
  665   1HH1  ARG  96          2HH2      ARG  96  -2.668  17.493 -12.226
  666   2HH1  ARG  96          1HH2      ARG  96  -3.330  16.338 -11.080
  667   1HH2  ARG  96          2HH1      ARG  96  -0.721  14.042 -11.347
  668   2HH2  ARG  96          1HH1      ARG  96  -2.252  14.448 -10.590
  669    H    PHE  97           H        PHE  97   4.935  17.575 -13.724
  670    HA   PHE  97           HA       PHE  97   4.836  20.454 -14.481
  671   1HB   PHE  97          2HB       PHE  97   5.877  18.944 -12.081
  672   2HB   PHE  97          3HB       PHE  97   6.504  20.525 -12.484
  673    HD1  PHE  97           HD2      PHE  97   3.023  19.036 -12.419
  674    HD2  PHE  97           HD1      PHE  97   5.666  22.199 -11.134
  675    HE1  PHE  97           HE2      PHE  97   1.136  20.185 -11.324
  676    HE2  PHE  97           HE1      PHE  97   3.806  23.230  -9.874
  677    HZ   PHE  97           HZ       PHE  97   1.548  22.201  -9.916
  678    H    HIS  98           H        HIS  98   7.520  18.202 -13.613
  679    HA   HIS  98           HA       HIS  98   9.363  20.027 -14.893
  680   1HB   HIS  98          2HB       HIS  98   9.839  17.359 -13.540
  681   2HB   HIS  98          3HB       HIS  98  11.079  18.529 -14.007
  682    HD1  HIS  98           HD1      HIS  98  10.522  21.138 -12.806
  683    HD2  HIS  98           HD2      HIS  98   8.956  17.642 -11.080
  684    HE1  HIS  98           HE1      HIS  98   9.719  21.761 -10.463
  685    H    ASN  99           H        ASN  99   8.084  16.783 -15.753
  686    HA   ASN  99           HA       ASN  99   9.992  16.579 -17.967
  687   1HB   ASN  99          2HB       ASN  99   8.775  14.655 -16.772
  688   2HB   ASN  99          3HB       ASN  99   7.405  15.041 -17.846
  689   1HD2  ASN  99          1HD2      ASN  99   9.594  14.187 -20.790
  690   2HD2  ASN  99          2HD2      ASN  99   8.803  15.671 -20.283
  691    H    ILE 100           H        ILE 100   6.636  17.723 -17.553
  692    HA   ILE 100           HA       ILE 100   6.263  18.187 -20.417
  693    HB   ILE 100           HB       ILE 100   4.751  19.062 -17.956
  694   1HG1  ILE 100          2HG1      ILE 100   4.655  16.625 -18.691
  695   2HG1  ILE 100          3HG1      ILE 100   3.111  17.464 -18.534
  696   1HG2  ILE 100          1HG2      ILE 100   4.092  19.696 -20.855
  697   2HG2  ILE 100          2HG2      ILE 100   2.915  19.778 -19.522
  698   3HG2  ILE 100          3HG2      ILE 100   4.329  20.831 -19.517
  699   1HD1  ILE 100          1HD1      ILE 100   4.554  16.938 -21.175
  700   2HD1  ILE 100          2HD1      ILE 100   3.219  15.989 -20.509
  701   3HD1  ILE 100          3HD1      ILE 100   2.943  17.670 -20.979
  702    H    LYS 101           H        LYS 101   6.839  20.468 -17.603
  703    HA   LYS 101           HA       LYS 101   7.309  22.644 -19.516
  704   1HB   LYS 101          2HB       LYS 101   7.885  22.619 -16.540
  705   2HB   LYS 101          3HB       LYS 101   7.707  24.017 -17.592
  706   1HG   LYS 101          2HG       LYS 101   5.478  22.063 -16.861
  707   2HG   LYS 101          3HG       LYS 101   5.739  23.659 -16.163
  708   1HD   LYS 101          2HD       LYS 101   5.419  24.686 -18.422
  709   2HD   LYS 101          3HD       LYS 101   5.059  23.087 -19.088
  710   1HE   LYS 101          2HE       LYS 101   3.492  24.499 -16.876
  711   2HE   LYS 101          3HE       LYS 101   2.994  24.344 -18.567
  712   1HZ   LYS 101          1HZ       LYS 101   2.943  21.970 -18.272
  713   2HZ   LYS 101          2HZ       LYS 101   3.382  22.114 -16.692
  714   3HZ   LYS 101          3HZ       LYS 101   1.942  22.719 -17.202
  715   1H5*    T   1          1H5*        T   1  -5.868  24.512 -15.727
  716   2H5*    T   1          2H5*        T   1  -4.386  23.706 -16.300
  717    H4*    T   1           H4*        T   1  -4.570  24.108 -13.754
  718    H3*    T   1           H3*        T   1  -3.782  21.596 -15.105
  719   1H2*    T   1          1H2*        T   1  -5.093  20.315 -13.765
  720   2H2*    T   1          2H2*        T   1  -3.983  20.694 -12.425
  721    H1*    T   1           H1*        T   1  -5.265  22.615 -11.772
  722    H3     T   1           H3         T   1  -8.351  20.416  -9.194
  723   1H5M    T   1          1H5M        T   1 -10.292  18.381 -12.915
  724   2H5M    T   1          2H5M        T   1 -10.409  19.894 -13.833
  725   3H5M    T   1          3H5M        T   1  -9.139  18.709 -14.218
  726    H6     T   1           H6         T   1  -7.525  20.581 -13.926
  727    H5T    T   1           H5T        T   1  -6.736  22.342 -15.545
  728   1H5*    T   2          1H5*        T   2  -2.321  22.754 -10.971
  729   2H5*    T   2          2H5*        T   2  -0.614  22.373 -10.688
  730    H4*    T   2           H4*        T   2  -1.949  21.805  -8.710
  731    H3*    T   2           H3*        T   2  -0.722  19.548 -10.272
  732   1H2*    T   2          1H2*        T   2  -2.280  18.119  -9.663
  733   2H2*    T   2          2H2*        T   2  -1.948  18.406  -7.934
  734    H1*    T   2           H1*        T   2  -3.556  20.068  -7.769
  735    H3     T   2           H3         T   2  -7.400  17.582  -7.831
  736   1H5M    T   2          1H5M        T   2  -5.767  18.139 -12.943
  737   2H5M    T   2          2H5M        T   2  -5.735  16.433 -12.435
  738   3H5M    T   2          3H5M        T   2  -7.270  17.313 -12.502
  739    H6     T   2           H6         T   2  -4.186  18.773 -11.185
  740   1H5*    G   3          1H5*        G   3  -0.411  19.587  -5.703
  741   2H5*    G   3          2H5*        G   3   1.055  18.801  -5.087
  742    H4*    G   3           H4*        G   3  -1.046  18.153  -3.939
  743    H3*    G   3           H3*        G   3   0.977  16.371  -4.540
  744   1H2*    G   3          1H2*        G   3  -0.097  15.620  -6.595
  745   2H2*    G   3          2H2*        G   3  -0.628  14.360  -5.440
  746    H1*    G   3           H1*        G   3  -2.597  15.636  -4.855
  747    H8     G   3           H8         G   3  -1.426  15.540  -8.587
  748    H1     G   3           H1         G   3  -7.656  14.410  -7.475
  749   1H2     G   3           H21        G   3  -7.973  14.473  -5.167
  750   2H2     G   3           H22        G   3  -6.655  14.961  -4.130
  751   1H5*    G   4          1H5*        G   4  -2.191  15.985  -1.179
  752   2H5*    G   4          2H5*        G   4  -1.481  15.112   0.196
  753    H4*    G   4           H4*        G   4  -3.948  15.007   0.176
  754    H3*    G   4           H3*        G   4  -2.274  12.854   0.636
  755   1H2*    G   4          1H2*        G   4  -2.389  11.949  -1.560
  756   2H2*    G   4          2H2*        G   4  -3.754  11.063  -0.846
  757    H1*    G   4           H1*        G   4  -5.340  12.640  -1.642
  758    H8     G   4           H8         G   4  -2.098  13.064  -3.831
  759    H1     G   4           H1         G   4  -7.331  11.104  -6.994
  760   1H2     G   4           H21        G   4  -8.909  10.470  -5.434
  761   2H2     G   4           H22        G   4  -8.681  10.903  -3.751
  762   1H5*    A   5          1H5*        A   5  -6.689  11.568   0.505
  763   2H5*    A   5          2H5*        A   5  -7.086  10.349   1.734
  764    H4*    A   5           H4*        A   5  -7.932   9.698  -0.468
  765    H3*    A   5           H3*        A   5  -6.114   7.994   1.052
  766   1H2*    A   5          1H2*        A   5  -4.565   7.972  -0.709
  767   2H2*    A   5          2H2*        A   5  -5.636   6.696  -1.351
  768    H1*    A   5           H1*        A   5  -6.987   8.357  -2.524
  769    H8     A   5           H8         A   5  -3.176   9.263  -2.296
  770   1H6     A   5           H61        A   5  -3.525   9.308  -8.491
  771   2H6     A   5           H62        A   5  -2.435   9.513  -7.114
  772    H2     A   5           H2         A   5  -7.419   7.954  -6.920
  773   1H5*    T   6          1H5*        T   6  -9.917   6.443  -1.499
  774   2H5*    T   6          2H5*        T   6 -10.448   4.935  -0.723
  775    H4*    T   6           H4*        T   6 -10.919   4.914  -3.158
  776    H3*    T   6           H3*        T   6  -9.545   2.868  -1.750
  777   1H2*    T   6          1H2*        T   6  -7.509   3.337  -2.634
  778   2H2*    T   6          2H2*        T   6  -8.040   2.214  -3.888
  779    H1*    T   6           H1*        T   6  -8.990   4.038  -5.226
  780    H3     T   6           H3         T   6  -5.362   5.346  -7.659
  781   1H5M    T   6          1H5M        T   6  -2.946   6.308  -3.719
  782   2H5M    T   6          2H5M        T   6  -3.956   5.666  -2.409
  783   3H5M    T   6          3H5M        T   6  -2.992   4.568  -3.404
  784    H6     T   6           H6         T   6  -6.196   4.942  -2.940
  785   1H5*    G   7          1H5*        G   7 -12.091   1.325  -5.933
  786   2H5*    G   7          2H5*        G   7 -12.476  -0.329  -5.418
  787    H4*    G   7           H4*        G   7 -12.164  -0.274  -7.821
  788    H3*    G   7           H3*        G   7 -10.766  -2.092  -6.177
  789   1H2*    G   7          1H2*        G   7  -8.717  -1.104  -6.329
  790   2H2*    G   7          2H2*        G   7  -8.565  -2.053  -7.812
  791    H1*    G   7           H1*        G   7  -9.165  -0.219  -9.216
  792    H8     G   7           H8         G   7  -8.443   1.156  -5.691
  793    H1     G   7           H1         G   7  -3.810   2.559  -9.871
  794   1H2     G   7           H21        G   7  -4.413   1.842 -11.953
  795   2H2     G   7           H22        G   7  -5.907   0.953 -12.176
  796   1H5*    G   8          1H5*        G   8  -9.942  -2.264 -10.612
  797   2H5*    G   8          2H5*        G   8 -10.096  -3.916 -11.237
  798    H4*    G   8           H4*        G   8  -8.254  -2.854 -12.335
  799    H3*    G   8           H3*        G   8  -7.935  -5.309 -10.885
  800   1H2*    G   8          1H2*        G   8  -6.642  -4.173  -9.219
  801   2H2*    G   8          2H2*        G   8  -5.329  -4.704 -10.285
  802    H1*    G   8           H1*        G   8  -5.545  -2.596 -11.597
  803    H8     G   8           H8         G   8  -6.308  -2.139  -7.807
  804    H1     G   8           H1         G   8  -0.828   0.543  -9.768
  805   1H2     G   8           H21        G   8  -0.430  -0.069 -11.947
  806   2H2     G   8           H22        G   8  -1.598  -1.054 -12.835
  807   1H5*    G   9          1H5*        G   9  -4.860  -3.436 -14.000
  808   2H5*    G   9          2H5*        G   9  -4.747  -4.770 -15.161
  809    H4*    G   9           H4*        G   9  -2.805  -3.404 -15.403
  810    H3*    G   9           H3*        G   9  -2.638  -6.146 -15.039
  811   1H2*    G   9          1H2*        G   9  -2.184  -5.984 -12.701
  812   2H2*    G   9          2H2*        G   9  -0.549  -6.126 -13.369
  813    H1*    G   9           H1*        G   9  -0.249  -3.758 -13.347
  814    H8     G   9           H8         G   9  -2.984  -4.721 -10.708
  815    H1     G   9           H1         G   9   2.027  -1.444  -8.399
  816   1H2     G   9           H21        G   9   3.579  -1.182 -10.146
  817   2H2     G   9           H22        G   9   3.139  -1.671 -11.773
  818   1H5*    A  10          1H5*        A  10   1.550  -3.749 -15.409
  819   2H5*    A  10          2H5*        A  10   2.554  -4.726 -16.501
  820    H4*    A  10           H4*        A  10   3.944  -3.720 -14.789
  821    H3*    A  10           H3*        A  10   3.722  -6.662 -15.027
  822   1H2*    A  10          1H2*        A  10   3.525  -6.938 -12.776
  823   2H2*    A  10          2H2*        A  10   5.244  -6.506 -12.652
  824    H1*    A  10           H1*        A  10   4.725  -4.176 -12.294
  825    H8     A  10           H8         A  10   1.521  -6.169 -11.429
  826   1H6     A  10           H61        A  10   2.269  -4.238  -5.662
  827   2H6     A  10           H62        A  10   1.277  -5.105  -6.816
  828    H2     A  10           H2         A  10   5.885  -2.955  -8.018
  829   1H5*    G  11          1H5*        G  11   7.408  -4.422 -13.695
  830   2H5*    G  11          2H5*        G  11   8.954  -5.122 -14.219
  831    H4*    G  11           H4*        G  11   9.011  -4.332 -11.877
  832    H3*    G  11           H3*        G  11   9.864  -6.933 -12.719
  833   1H2*    G  11          1H2*        G  11   8.073  -7.994 -11.541
  834   2H2*    G  11          2H2*        G  11   9.281  -7.941 -10.222
  835    H1*    G  11           H1*        G  11   8.459  -5.733  -9.530
  836    H8     G  11           H8         G  11   5.665  -8.139 -10.906
  837    H1     G  11           H1         G  11   4.995  -6.199  -4.809
  838   1H2     G  11           H21        G  11   6.796  -4.881  -4.283
  839   2H2     G  11           H22        G  11   7.897  -4.357  -5.533
  840   1H5*    A  12          1H5*        A  12  12.118  -4.161  -9.647
  841   2H5*    A  12          2H5*        A  12  13.839  -4.592  -9.669
  842    H4*    A  12           H4*        A  12  13.137  -3.551  -7.536
  843    H3*    A  12           H3*        A  12  14.731  -5.812  -7.684
  844   1H2*    A  12          1H2*        A  12  12.976  -7.362  -7.329
  845   2H2*    A  12          2H2*        A  12  13.491  -7.152  -5.647
  846    H1*    A  12           H1*        A  12  11.814  -5.490  -5.225
  847    H8     A  12           H8         A  12  10.785  -7.666  -8.318
  848   1H6     A  12           H61        A  12   6.070  -9.605  -4.925
  849   2H6     A  12           H62        A  12   7.014  -9.769  -6.402
  850    H2     A  12           H2         A  12   8.412  -6.685  -2.431
  851   1H5*    C  13          1H5*        C  13  13.497  -4.744  -3.378
  852   2H5*    C  13          2H5*        C  13  14.770  -5.000  -2.167
  853    H4*    C  13           H4*        C  13  12.547  -5.941  -1.528
  854    H3*    C  13           H3*        C  13  14.935  -7.749  -1.794
  855   1H2*    C  13          1H2*        C  13  13.613  -9.548  -2.156
  856   2H2*    C  13          2H2*        C  13  12.691  -9.217  -0.658
  857    H1*    C  13           H1*        C  13  11.133  -7.857  -1.703
  858   1H4     C  13           H41        C  13   9.499 -11.942  -6.674
  859   2H4     C  13           H42        C  13   8.301 -12.125  -5.406
  860    H5     C  13           H5         C  13  11.587 -10.642  -6.323
  861    H6     C  13           H6         C  13  12.724  -9.160  -4.788
  862   1H5*    C  14          1H5*        C  14  12.087  -8.000   1.804
  863   2H5*    C  14          2H5*        C  14  12.894  -8.499   3.305
  864    H4*    C  14           H4*        C  14  10.746  -9.711   2.870
  865    H3*    C  14           H3*        C  14  13.318 -11.092   3.307
  866   1H2*    C  14          1H2*        C  14  12.954 -12.608   1.651
  867   2H2*    C  14          2H2*        C  14  11.613 -13.262   2.622
  868    H1*    C  14           H1*        C  14   9.984 -11.920   1.571
  869   1H4     C  14           H41        C  14  12.098 -13.444  -4.607
  870   2H4     C  14           H42        C  14  10.528 -14.193  -4.383
  871    H5     C  14           H5         C  14  13.218 -12.197  -2.806
  872    H6     C  14           H6         C  14  12.983 -11.442  -0.494
  873   1H5*    G  15          1H5*        G  15   9.524 -13.364   4.540
  874   2H5*    G  15          2H5*        G  15   9.774 -14.321   6.016
  875    H4*    G  15           H4*        G  15   8.729 -15.681   4.277
  876    H3*    G  15           H3*        G  15  11.414 -16.446   5.307
  877   1H2*    G  15          1H2*        G  15  12.181 -16.876   3.187
  878   2H2*    G  15          2H2*        G  15  11.131 -18.323   3.246
  879    H1*    G  15           H1*        G  15   9.282 -17.101   2.268
  880    H8     G  15           H8         G  15  12.729 -15.565   1.207
  881    H1     G  15           H1         G  15   9.135 -17.820  -3.623
  882   1H2     G  15           H21        G  15   7.231 -18.788  -2.725
  883   2H2     G  15           H22        G  15   6.959 -18.749  -0.995
  884    H3T    G  15           H3T        G  15   9.456 -17.329   6.064
  885   1H5*    C  16          1H5*        C  16   6.262 -23.793  -8.990
  886   2H5*    C  16          2H5*        C  16   4.649 -23.390  -9.626
  887    H4*    C  16           H4*        C  16   5.057 -22.779  -7.160
  888    H3*    C  16           H3*        C  16   4.032 -20.946  -9.265
  889   1H2*    C  16          1H2*        C  16   5.129 -19.167  -8.446
  890   2H2*    C  16          2H2*        C  16   4.176 -19.270  -6.942
  891    H1*    C  16           H1*        C  16   5.755 -20.715  -5.904
  892   1H4     C  16           H41        C  16  10.855 -16.522  -7.121
  893   2H4     C  16           H42        C  16  10.644 -16.621  -5.382
  894    H5     C  16           H5         C  16   9.359 -17.684  -8.687
  895    H6     C  16           H6         C  16   7.490 -19.199  -8.849
  896    H5T    C  16           H5T        C  16   6.882 -21.665  -9.740
  897   1H5*    G  17          1H5*        G  17   2.725 -20.869  -5.005
  898   2H5*    G  17          2H5*        G  17   0.986 -20.716  -4.734
  899    H4*    G  17           H4*        G  17   2.089 -19.396  -3.071
  900    H3*    G  17           H3*        G  17   0.387 -17.991  -4.939
  901   1H2*    G  17          1H2*        G  17   2.274 -16.907  -5.885
  902   2H2*    G  17          2H2*        G  17   1.897 -15.727  -4.605
  903    H1*    G  17           H1*        G  17   3.353 -16.949  -3.018
  904    H8     G  17           H8         G  17   4.481 -16.832  -6.740
  905    H1     G  17           H1         G  17   8.691 -14.439  -2.522
  906   1H2     G  17           H21        G  17   7.807 -14.703  -0.387
  907   2H2     G  17           H22        G  17   6.239 -15.450  -0.180
  908   1H5*    G  18          1H5*        G  18   0.971 -17.127  -0.421
  909   2H5*    G  18          2H5*        G  18  -0.436 -16.296   0.264
  910    H4*    G  18           H4*        G  18   1.680 -15.897   1.511
  911    H3*    G  18           H3*        G  18  -0.188 -13.936   0.893
  912   1H2*    G  18          1H2*        G  18   0.993 -13.111  -0.981
  913   2H2*    G  18          2H2*        G  18   1.657 -12.028   0.273
  914    H1*    G  18           H1*        G  18   3.575 -13.433   0.602
  915    H8     G  18           H8         G  18   2.113 -14.185  -2.946
  916    H1     G  18           H1         G  18   7.863 -11.324  -2.957
  917   1H2     G  18           H21        G  18   8.343 -10.669  -0.778
  918   2H2     G  18           H22        G  18   7.350 -11.268   0.540
  919   1H5*    T  19          1H5*        T  19   3.717 -12.552   3.334
  920   2H5*    T  19          2H5*        T  19   3.098 -11.574   4.678
  921    H4*    T  19           H4*        T  19   5.264 -10.731   3.928
  922    H3*    T  19           H3*        T  19   2.918  -9.107   4.148
  923   1H2*    T  19          1H2*        T  19   2.824  -8.667   1.866
  924   2H2*    T  19          2H2*        T  19   3.977  -7.387   2.276
  925    H1*    T  19           H1*        T  19   5.884  -8.843   1.849
  926    H3     T  19           H3         T  19   6.335  -8.483  -2.714
  927   1H5M    T  19          1H5M        T  19   1.469  -9.432  -2.567
  928   2H5M    T  19          2H5M        T  19   2.307 -10.773  -3.393
  929   3H5M    T  19          3H5M        T  19   1.642 -10.999  -1.768
  930    H6     T  19           H6         T  19   2.825 -10.057   0.157
  931   1H5*    C  20          1H5*        C  20   6.913  -6.797   3.668
  932   2H5*    C  20          2H5*        C  20   6.921  -5.192   4.430
  933    H4*    C  20           H4*        C  20   7.674  -5.227   2.033
  934    H3*    C  20           H3*        C  20   5.206  -3.631   2.740
  935   1H2*    C  20          1H2*        C  20   4.702  -3.392   0.543
  936   2H2*    C  20          2H2*        C  20   6.401  -3.072   0.079
  937    H1*    C  20           H1*        C  20   6.943  -5.247  -0.251
  938   1H4     C  20           H41        C  20   1.465  -7.256  -3.474
  939   2H4     C  20           H42        C  20   2.722  -6.948  -4.654
  940    H5     C  20           H5         C  20   1.829  -6.841  -1.041
  941    H6     C  20           H6         C  20   3.415  -6.027   0.580
  942   1H5*    T  21          1H5*        T  21   9.026  -2.060   0.751
  943   2H5*    T  21          2H5*        T  21   9.332  -0.327   0.983
  944    H4*    T  21           H4*        T  21   9.852  -1.187  -1.314
  945    H3*    T  21           H3*        T  21   8.413   1.223  -0.740
  946   1H2*    T  21          1H2*        T  21   6.418   0.445  -1.619
  947   2H2*    T  21          2H2*        T  21   7.111   1.003  -3.157
  948    H1*    T  21           H1*        T  21   8.079  -1.176  -3.611
  949    H3     T  21           H3         T  21   4.429  -3.129  -5.589
  950   1H5M    T  21          1H5M        T  21   3.039  -1.782  -0.490
  951   2H5M    T  21          2H5M        T  21   1.837  -2.076  -1.753
  952   3H5M    T  21          3H5M        T  21   2.667  -3.444  -1.005
  953    H6     T  21           H6         T  21   5.275  -1.440  -1.165
  954   1H5*    C  22          1H5*        C  22   9.852   0.338  -5.087
  955   2H5*    C  22          2H5*        C  22  10.416   1.796  -5.931
  956    H4*    C  22           H4*        C  22   8.999   0.319  -7.358
  957    H3*    C  22           H3*        C  22   8.162   3.122  -6.744
  958   1H2*    C  22          1H2*        C  22   6.040   2.637  -6.794
  959   2H2*    C  22          2H2*        C  22   6.162   2.170  -8.526
  960    H1*    C  22           H1*        C  22   6.663  -0.106  -7.958
  961   1H4     C  22           H41        C  22   1.004  -0.447  -4.385
  962   2H4     C  22           H42        C  22   0.741  -1.237  -5.923
  963    H5     C  22           H5         C  22   3.178   0.659  -3.848
  964    H6     C  22           H6         C  22   5.380   1.205  -4.745
  965   1H5*    C  23          1H5*        C  23   7.492   1.944 -11.368
  966   2H5*    C  23          2H5*        C  23   7.593   3.476 -12.263
  967    H4*    C  23           H4*        C  23   5.541   2.303 -12.837
  968    H3*    C  23           H3*        C  23   5.148   4.805 -11.194
  969   1H2*    C  23          1H2*        C  23   2.966   4.319 -10.915
  970   2H2*    C  23          2H2*        C  23   2.763   3.666 -12.555
  971    H1*    C  23           H1*        C  23   3.227   1.534 -12.012
  972   1H4     C  23           H41        C  23   0.593   2.095  -5.834
  973   2H4     C  23           H42        C  23  -0.588   1.280  -6.833
  974    H5     C  23           H5         C  23   2.685   2.977  -6.777
  975    H6     C  23           H6         C  23   3.999   3.159  -8.804
  976   1H5*    C  24          1H5*        C  24   3.174   3.783 -15.145
  977   2H5*    C  24          2H5*        C  24   2.867   5.201 -16.172
  978    H4*    C  24           H4*        C  24   0.964   3.607 -16.227
  979    H3*    C  24           H3*        C  24   0.716   6.414 -15.345
  980   1H2*    C  24          1H2*        C  24  -0.617   5.986 -13.609
  981   2H2*    C  24          2H2*        C  24  -1.882   5.423 -14.738
  982    H1*    C  24           H1*        C  24  -1.283   3.170 -14.517
  983   1H4     C  24           H41        C  24  -0.848   3.918  -7.837
  984   2H4     C  24           H42        C  24  -2.281   2.974  -8.122
  985    H5     C  24           H5         C  24   0.619   4.597  -9.615
  986    H6     C  24           H6         C  24   0.903   4.767 -12.004
  987   1H5*    A  25          1H5*        A  25  -2.733   4.242 -17.183
  988   2H5*    A  25          2H5*        A  25  -3.541   5.169 -18.463
  989    H4*    A  25           H4*        A  25  -5.138   3.916 -17.050
  990    H3*    A  25           H3*        A  25  -5.380   6.647 -17.751
  991   1H2*    A  25          1H2*        A  25  -4.898   7.473 -15.630
  992   2H2*    A  25          2H2*        A  25  -6.638   7.243 -15.371
  993    H1*    A  25           H1*        A  25  -6.309   5.081 -14.370
  994    H8     A  25           H8         A  25  -3.153   7.371 -14.156
  995   1H6     A  25           H61        A  25  -3.161   6.209  -8.110
  996   2H6     A  25           H62        A  25  -2.367   7.012  -9.461
  997    H2     A  25           H2         A  25  -6.810   4.293  -9.871
  998   1H5*    T  26          1H5*        T  26  -8.754   4.646 -15.468
  999   2H5*    T  26          2H5*        T  26 -10.396   5.193 -15.865
 1000    H4*    T  26           H4*        T  26  -9.978   5.071 -13.422
 1001    H3*    T  26           H3*        T  26 -10.511   7.778 -14.663
 1002   1H2*    T  26          1H2*        T  26  -9.714   8.824 -12.840
 1003   2H2*    T  26          2H2*        T  26 -10.648   7.788 -11.727
 1004    H1*    T  26           H1*        T  26  -9.028   6.193 -11.510
 1005    H3     T  26           H3         T  26  -5.999   8.399  -8.925
 1006   1H5M    T  26          1H5M        T  26  -4.796  11.122 -12.532
 1007   2H5M    T  26          2H5M        T  26  -4.133   9.673 -13.316
 1008   3H5M    T  26          3H5M        T  26  -5.626  10.416 -13.932
 1009    H6     T  26           H6         T  26  -7.200   8.674 -13.557
 1010   1H5*    C  27          1H5*        C  27 -12.625   5.900 -11.189
 1011   2H5*    C  27          2H5*        C  27 -14.345   6.310 -11.028
 1012    H4*    C  27           H4*        C  27 -13.155   6.258  -8.846
 1013    H3*    C  27           H3*        C  27 -14.814   8.401  -9.775
 1014   1H2*    C  27          1H2*        C  27 -13.095   9.949  -9.874
 1015   2H2*    C  27          2H2*        C  27 -13.424  10.136  -8.138
 1016    H1*    C  27           H1*        C  27 -11.779   8.475  -7.546
 1017   1H4     C  27           H41        C  27  -7.054  12.098 -10.716
 1018   2H4     C  27           H42        C  27  -6.470  11.763  -9.110
 1019    H5     C  27           H5         C  27  -9.159  11.121 -11.577
 1020    H6     C  27           H6         C  27 -11.143   9.909 -10.955
 1021   1H5*    C  28          1H5*        C  28 -13.691   8.595  -5.287
 1022   2H5*    C  28          2H5*        C  28 -14.986   9.294  -4.292
 1023    H4*    C  28           H4*        C  28 -12.810  10.382  -3.867
 1024    H3*    C  28           H3*        C  28 -14.917  12.078  -5.242
 1025   1H2*    C  28          1H2*        C  28 -13.384  13.673  -5.679
 1026   2H2*    C  28          2H2*        C  28 -12.598  13.523  -4.081
 1027    H1*    C  28           H1*        C  28 -11.127  11.941  -4.706
 1028   1H4     C  28           H41        C  28  -9.693  14.210 -10.820
 1029   2H4     C  28           H42        C  28  -8.351  14.637  -9.783
 1030    H5     C  28           H5         C  28 -11.788  13.217  -9.953
 1031    H6     C  28           H6         C  28 -12.866  12.357  -7.941
 1032   1H5*    A  29          1H5*        A  29 -12.869  12.968  -1.267
 1033   2H5*    A  29          2H5*        A  29 -13.903  13.856  -0.133
 1034    H4*    A  29           H4*        A  29 -11.486  14.498  -0.083
 1035    H3*    A  29           H3*        A  29 -13.632  16.268   0.113
 1036   1H2*    A  29          1H2*        A  29 -13.548  16.948  -2.139
 1037   2H2*    A  29          2H2*        A  29 -12.481  18.193  -1.451
 1038    H1*    A  29           H1*        A  29 -10.504  16.922  -1.951
 1039    H8     A  29           H8         A  29 -13.567  16.289  -4.300
 1040   1H6     A  29           H61        A  29  -9.606  17.039  -8.968
 1041   2H6     A  29           H62        A  29 -11.264  16.713  -8.477
 1042    H2     A  29           H2         A  29  -7.359  17.675  -5.139
 1043   1H5*    A  30          1H5*        A  30  -9.143  17.762   0.531
 1044   2H5*    A  30          2H5*        A  30  -9.036  19.037   1.762
 1045    H4*    A  30           H4*        A  30  -7.470  19.419  -0.109
 1046    H3*    A  30           H3*        A  30  -9.354  21.405   0.832
 1047   1H2*    A  30          1H2*        A  30 -10.474  21.508  -1.225
 1048   2H2*    A  30          2H2*        A  30  -9.136  22.624  -1.637
 1049    H1*    A  30           H1*        A  30  -7.816  20.782  -2.547
 1050    H8     A  30           H8         A  30 -11.644  19.967  -2.775
 1051   1H6     A  30           H61        A  30 -10.788  19.832  -8.859
 1052   2H6     A  30           H62        A  30 -11.930  19.727  -7.522
 1053    H2     A  30           H2         A  30  -6.901  21.032  -6.970
 1054    H3T    A  30           H3T        A  30  -7.628  22.755   0.262
   
  No H/Q in entry =        1054
  Start of MODEL    8
    1    H    MET   1           H        MET   1   5.081 -20.991 -14.154
    2    HA   MET   1           HA       MET   1   4.554 -19.048 -12.707
    3   1HB   MET   1          2HB       MET   1   6.281 -17.648 -13.891
    4   2HB   MET   1          3HB       MET   1   5.169 -17.484 -15.246
    5   1HG   MET   1          2HG       MET   1   5.058 -15.501 -13.853
    6   2HG   MET   1          3HG       MET   1   3.527 -16.350 -13.747
    7   1HE   MET   1          2HE       MET   1   6.736 -15.165 -11.890
    8   2HE   MET   1          3HE       MET   1   6.621 -16.021 -10.337
    9   3HE   MET   1          1HE       MET   1   6.983 -16.927 -11.821
   10    H    LYS  11           H        LYS  11   2.959 -20.959 -13.462
   11    HA   LYS  11           HA       LYS  11   1.045 -20.279 -15.535
   12   1HB   LYS  11          2HB       LYS  11   1.326 -22.601 -14.870
   13   2HB   LYS  11          3HB       LYS  11   0.862 -22.216 -13.198
   14   1HG   LYS  11          2HG       LYS  11  -1.383 -21.518 -13.936
   15   2HG   LYS  11          3HG       LYS  11  -0.952 -21.859 -15.625
   16   1HD   LYS  11          2HD       LYS  11  -0.600 -24.258 -15.005
   17   2HD   LYS  11          3HD       LYS  11  -1.054 -23.883 -13.334
   18   1HE   LYS  11          2HE       LYS  11  -2.838 -23.554 -15.799
   19   2HE   LYS  11          3HE       LYS  11  -2.957 -24.843 -14.590
   20   1HZ   LYS  11          2HZ       LYS  11  -3.441 -23.161 -12.948
   21   2HZ   LYS  11          3HZ       LYS  11  -3.385 -21.976 -14.092
   22   3HZ   LYS  11          1HZ       LYS  11  -4.543 -23.143 -14.173
   23    H    ARG  12           H        ARG  12  -0.381 -18.563 -15.363
   24    HA   ARG  12           HA       ARG  12  -0.879 -17.228 -12.896
   25   1HB   ARG  12          2HB       ARG  12  -2.334 -17.215 -15.555
   26   2HB   ARG  12          3HB       ARG  12  -2.785 -16.206 -14.187
   27   1HG   ARG  12          2HG       ARG  12  -1.531 -14.846 -15.660
   28   2HG   ARG  12          3HG       ARG  12  -0.546 -15.125 -14.219
   29   1HD   ARG  12          2HD       ARG  12   0.755 -15.265 -16.336
   30   2HD   ARG  12          3HD       ARG  12   0.803 -16.738 -15.379
   31    HE   ARG  12           HE       ARG  12  -1.249 -16.501 -17.515
   32   1HH1  ARG  12          1HH2      ARG  12   1.874 -17.982 -16.578
   33   2HH1  ARG  12          2HH2      ARG  12   1.928 -18.982 -17.998
   34   1HH2  ARG  12          2HH1      ARG  12  -1.186 -17.902 -19.275
   35   2HH2  ARG  12          1HH1      ARG  12   0.148 -18.995 -19.505
   36    H    TYR  13           H        TYR  13  -2.763 -17.187 -11.578
   37    HA   TYR  13           HA       TYR  13  -4.373 -19.648 -11.410
   38   1HB   TYR  13          2HB       TYR  13  -4.611 -16.942 -10.033
   39   2HB   TYR  13          3HB       TYR  13  -5.543 -18.382  -9.633
   40    HD1  TYR  13           HD1      TYR  13  -4.026 -20.518  -8.975
   41    HD2  TYR  13           HD2      TYR  13  -2.992 -16.360  -8.495
   42    HE1  TYR  13           HE1      TYR  13  -2.930 -21.031  -6.811
   43    HE2  TYR  13           HE2      TYR  13  -1.955 -16.864  -6.326
   44    HH   TYR  13           HH       TYR  13  -1.741 -18.487  -4.611
   45    H    ILE  14           H        ILE  14  -6.443 -19.758 -12.393
   46    HA   ILE  14           HA       ILE  14  -7.213 -17.468 -14.092
   47    HB   ILE  14           HB       ILE  14  -8.204 -20.325 -14.170
   48   1HG1  ILE  14          2HG1      ILE  14  -5.883 -18.832 -15.420
   49   2HG1  ILE  14          3HG1      ILE  14  -5.888 -20.431 -14.663
   50   1HG2  ILE  14          1HG2      ILE  14  -9.749 -18.626 -15.196
   51   2HG2  ILE  14          2HG2      ILE  14  -8.388 -18.055 -16.193
   52   3HG2  ILE  14          3HG2      ILE  14  -9.041 -19.697 -16.389
   53   1HD1  ILE  14          2HD1      ILE  14  -7.207 -21.240 -16.681
   54   2HD1  ILE  14          3HD1      ILE  14  -6.924 -19.619 -17.394
   55   3HD1  ILE  14          1HD1      ILE  14  -5.554 -20.671 -17.018
   56    H    CYS  15           H        CYS  15  -9.140 -16.482 -14.072
   57    HA   CYS  15           HA       CYS  15 -10.499 -16.049 -11.633
   58   1HB   CYS  15          2HB       CYS  15 -10.385 -14.384 -13.318
   59   2HB   CYS  15          3HB       CYS  15 -11.090 -15.449 -14.538
   60    H    SER  16           H        SER  16 -12.084 -17.115 -10.608
   61    HA   SER  16           HA       SER  16 -12.951 -19.594 -11.017
   62   1HB   SER  16          2HB       SER  16 -14.809 -17.468  -9.898
   63   2HB   SER  16          3HB       SER  16 -14.481 -19.105  -9.297
   64    HG   SER  16           HG       SER  16 -13.375 -17.512  -8.056
   65    H    PHE  17           H        PHE  17 -14.557 -16.672 -12.281
   66    HA   PHE  17           HA       PHE  17 -16.772 -18.098 -13.505
   67   1HB   PHE  17          2HB       PHE  17 -15.798 -15.259 -13.948
   68   2HB   PHE  17          3HB       PHE  17 -17.376 -15.909 -14.362
   69    HD1  PHE  17           HD1      PHE  17 -18.911 -16.727 -12.466
   70    HD2  PHE  17           HD2      PHE  17 -15.349 -14.403 -11.740
   71    HE1  PHE  17           HE1      PHE  17 -19.659 -16.293 -10.143
   72    HE2  PHE  17           HE2      PHE  17 -16.057 -14.059  -9.396
   73    HZ   PHE  17           HZ       PHE  17 -18.229 -14.978  -8.598
   74    H    ALA  18           H        ALA  18 -14.999 -19.565 -14.455
   75    HA   ALA  18           HA       ALA  18 -13.177 -19.598 -16.164
   76   1HB   ALA  18          1HB       ALA  18 -14.579 -21.547 -15.781
   77   2HB   ALA  18          2HB       ALA  18 -15.827 -20.916 -16.875
   78   3HB   ALA  18          3HB       ALA  18 -14.233 -21.379 -17.513
   79    H    ASP  19           H        ASP  19 -16.316 -18.923 -17.762
   80    HA   ASP  19           HA       ASP  19 -15.557 -18.364 -20.311
   81   1HB   ASP  19          2HB       ASP  19 -17.642 -16.837 -18.692
   82   2HB   ASP  19          3HB       ASP  19 -17.558 -16.931 -20.457
   83    H    CYS  20           H        CYS  20 -15.272 -16.139 -17.577
   84    HA   CYS  20           HA       CYS  20 -14.729 -13.703 -18.817
   85   1HB   CYS  20          2HB       CYS  20 -15.130 -14.132 -16.401
   86   2HB   CYS  20          3HB       CYS  20 -13.534 -14.888 -16.294
   87    H    GLY  21           H        GLY  21 -12.575 -16.498 -18.286
   88   1HA   GLY  21          2HA       GLY  21 -10.502 -17.005 -19.052
   89   2HA   GLY  21          3HA       GLY  21 -10.790 -15.847 -20.356
   90    H    ALA  22           H        ALA  22 -10.804 -14.629 -17.058
   91    HA   ALA  22           HA       ALA  22  -8.347 -13.083 -17.601
   92   1HB   ALA  22          3HB       ALA  22 -10.366 -12.002 -16.614
   93   2HB   ALA  22          1HB       ALA  22 -10.186 -13.036 -15.173
   94   3HB   ALA  22          2HB       ALA  22  -8.922 -11.869 -15.596
   95    H    ALA  23           H        ALA  23  -6.405 -13.330 -16.302
   96    HA   ALA  23           HA       ALA  23  -6.391 -15.395 -14.252
   97   1HB   ALA  23          1HB       ALA  23  -6.146 -16.645 -16.407
   98   2HB   ALA  23          2HB       ALA  23  -4.696 -15.684 -16.768
   99   3HB   ALA  23          3HB       ALA  23  -4.718 -16.777 -15.365
  100    H    TYR  24           H        TYR  24  -4.663 -15.075 -12.776
  101    HA   TYR  24           HA       TYR  24  -2.556 -13.108 -13.439
  102   1HB   TYR  24          2HB       TYR  24  -4.308 -12.769 -10.983
  103   2HB   TYR  24          3HB       TYR  24  -3.005 -11.721 -11.518
  104    HD1  TYR  24           HD1      TYR  24  -6.467 -12.831 -12.186
  105    HD2  TYR  24           HD2      TYR  24  -3.367 -10.133 -13.438
  106    HE1  TYR  24           HE1      TYR  24  -8.113 -11.567 -13.497
  107    HE2  TYR  24           HE2      TYR  24  -5.018  -8.830 -14.728
  108    HH   TYR  24           HH       TYR  24  -7.263  -8.557 -15.257
  109    H    ASN  25           H        ASN  25  -0.672 -13.445 -12.152
  110    HA   ASN  25           HA       ASN  25  -0.539 -16.123 -10.998
  111   1HB   ASN  25          2HB       ASN  25   1.815 -15.800 -10.818
  112   2HB   ASN  25          3HB       ASN  25   1.266 -15.352 -12.432
  113   1HD2  ASN  25          1HD2      ASN  25   2.368 -11.976 -12.086
  114   2HD2  ASN  25          2HD2      ASN  25   1.461 -13.101 -13.081
  115    H    LYS  26           H        LYS  26  -0.538 -12.826  -9.618
  116    HA   LYS  26           HA       LYS  26   0.019 -13.953  -6.944
  117   1HB   LYS  26          2HB       LYS  26  -0.676 -11.114  -7.736
  118   2HB   LYS  26          3HB       LYS  26  -0.134 -11.702  -6.159
  119   1HG   LYS  26          2HG       LYS  26   1.486 -11.605  -8.732
  120   2HG   LYS  26          3HG       LYS  26   1.695 -10.605  -7.297
  121   1HD   LYS  26          2HD       LYS  26   2.190 -12.752  -5.983
  122   2HD   LYS  26          3HD       LYS  26   2.209 -13.601  -7.545
  123   1HE   LYS  26          2HE       LYS  26   3.984 -11.992  -8.334
  124   2HE   LYS  26          3HE       LYS  26   4.006 -11.298  -6.699
  125   1HZ   LYS  26          3HZ       LYS  26   4.541 -13.524  -5.892
  126   2HZ   LYS  26          1HZ       LYS  26   4.662 -14.060  -7.451
  127   3HZ   LYS  26          2HZ       LYS  26   5.700 -12.915  -6.880
  128    H    ASN  27           H        ASN  27  -1.487 -14.524  -5.499
  129    HA   ASN  27           HA       ASN  27  -4.177 -14.879  -6.186
  130   1HB   ASN  27          2HB       ASN  27  -3.173 -16.119  -4.373
  131   2HB   ASN  27          3HB       ASN  27  -2.926 -14.637  -3.424
  132   1HD2  ASN  27          1HD2      ASN  27  -6.648 -16.375  -3.635
  133   2HD2  ASN  27          2HD2      ASN  27  -5.370 -16.921  -4.706
  134    H    TRP  28           H        TRP  28  -2.775 -12.236  -4.168
  135    HA   TRP  28           HA       TRP  28  -5.148 -10.837  -3.599
  136   1HB   TRP  28          2HB       TRP  28  -3.789  -8.919  -3.201
  137   2HB   TRP  28          3HB       TRP  28  -3.020 -10.353  -2.535
  138    HD1  TRP  28           HD1      TRP  28  -0.617 -10.910  -3.367
  139    HE1  TRP  28           HE1      TRP  28   1.070  -9.825  -4.952
  140    HE3  TRP  28           HE3      TRP  28  -3.645  -7.347  -5.468
  141    HZ2  TRP  28           HZ2      TRP  28   1.063  -7.811  -7.010
  142    HZ3  TRP  28           HZ3      TRP  28  -2.770  -5.855  -7.238
  143    HH2  TRP  28           HH2      TRP  28  -0.452  -6.106  -8.054
  144    H    LYS  29           H        LYS  29  -3.069 -10.702  -6.507
  145    HA   LYS  29           HA       LYS  29  -4.435  -8.491  -7.704
  146   1HB   LYS  29          2HB       LYS  29  -2.089  -9.475  -8.083
  147   2HB   LYS  29          3HB       LYS  29  -2.854 -10.597  -9.221
  148   1HG   LYS  29          2HG       LYS  29  -3.522  -8.686 -10.627
  149   2HG   LYS  29          3HG       LYS  29  -3.106  -7.555  -9.330
  150   1HD   LYS  29          2HD       LYS  29  -1.280  -7.401 -10.810
  151   2HD   LYS  29          3HD       LYS  29  -0.693  -8.349  -9.460
  152   1HE   LYS  29          2HE       LYS  29  -1.096 -10.448 -10.765
  153   2HE   LYS  29          3HE       LYS  29  -1.630  -9.451 -12.141
  154   1HZ   LYS  29          2HZ       LYS  29   1.025  -9.319 -10.912
  155   2HZ   LYS  29          3HZ       LYS  29   0.653 -10.140 -12.294
  156   3HZ   LYS  29          1HZ       LYS  29   0.508  -8.504 -12.249
  157    H    LEU  30           H        LEU  30  -4.726 -12.073  -8.017
  158    HA   LEU  30           HA       LEU  30  -6.791 -11.944  -9.946
  159   1HB   LEU  30          2HB       LEU  30  -5.339 -14.000  -8.948
  160   2HB   LEU  30          3HB       LEU  30  -6.730 -14.127  -7.885
  161    HG   LEU  30           HG       LEU  30  -6.380 -14.671 -10.802
  162   1HD1  LEU  30          1HD1      LEU  30  -6.365 -16.273  -8.854
  163   2HD1  LEU  30          2HD1      LEU  30  -8.105 -16.010  -8.689
  164   3HD1  LEU  30          3HD1      LEU  30  -7.466 -16.717 -10.194
  165   1HD2  LEU  30          3HD2      LEU  30  -8.355 -13.075 -10.892
  166   2HD2  LEU  30          1HD2      LEU  30  -8.718 -14.722 -11.353
  167   3HD2  LEU  30          2HD2      LEU  30  -9.170 -14.145  -9.734
  168    H    GLN  31           H        GLN  31  -6.813 -11.841  -6.354
  169    HA   GLN  31           HA       GLN  31  -9.657 -11.978  -6.011
  170   1HB   GLN  31          2HB       GLN  31  -7.644 -10.532  -4.250
  171   2HB   GLN  31          3HB       GLN  31  -9.320 -10.893  -3.888
  172   1HG   GLN  31          2HG       GLN  31  -6.928 -12.650  -3.745
  173   2HG   GLN  31          3HG       GLN  31  -8.350 -12.604  -2.730
  174   1HE2  GLN  31          1HE2      GLN  31  -8.155 -15.210  -5.880
  175   2HE2  GLN  31          2HE2      GLN  31  -6.915 -13.978  -5.613
  176    H    ALA  32           H        ALA  32  -7.400  -9.241  -6.392
  177    HA   ALA  32           HA       ALA  32  -9.280  -7.157  -6.201
  178   1HB   ALA  32          1HB       ALA  32  -6.777  -6.918  -6.261
  179   2HB   ALA  32          2HB       ALA  32  -6.809  -7.269  -7.998
  180   3HB   ALA  32          3HB       ALA  32  -7.609  -5.812  -7.381
  181    H    HIS  33           H        HIS  33  -8.216  -9.036  -9.118
  182    HA   HIS  33           HA       HIS  33 -10.071  -7.827 -10.898
  183   1HB   HIS  33          2HB       HIS  33  -8.360  -9.272 -11.752
  184   2HB   HIS  33          3HB       HIS  33  -8.967 -10.648 -10.837
  185    HD1  HIS  33           HD1      HIS  33  -9.469  -8.958 -14.136
  186    HD2  HIS  33           HD2      HIS  33 -11.399 -11.721 -11.618
  187    HE1  HIS  33           HE1      HIS  33 -11.403  -9.947 -15.476
  188    H    LEU  34           H        LEU  34 -10.496 -10.795  -8.891
  189    HA   LEU  34           HA       LEU  34 -13.126 -11.322  -9.624
  190   1HB   LEU  34          2HB       LEU  34 -11.722 -11.918  -7.023
  191   2HB   LEU  34          3HB       LEU  34 -13.335 -12.505  -7.389
  192    HG   LEU  34           HG       LEU  34 -11.042 -13.052  -9.279
  193   1HD1  LEU  34          3HD1      LEU  34 -11.954 -14.732  -6.899
  194   2HD1  LEU  34          1HD1      LEU  34 -10.836 -15.282  -8.165
  195   3HD1  LEU  34          2HD1      LEU  34 -10.370 -13.952  -7.094
  196   1HD2  LEU  34          3HD2      LEU  34 -13.689 -14.477  -8.786
  197   2HD2  LEU  34          1HD2      LEU  34 -13.309 -13.447 -10.185
  198   3HD2  LEU  34          2HD2      LEU  34 -12.446 -14.968  -9.950
  199    H    SER  35           H        SER  35 -12.021  -8.891  -7.281
  200    HA   SER  35           HA       SER  35 -14.423  -8.452  -5.967
  201   1HB   SER  35          2HB       SER  35 -13.733  -6.323  -5.361
  202   2HB   SER  35          3HB       SER  35 -12.226  -7.232  -5.492
  203    HG   SER  35           HG       SER  35 -11.940  -6.260  -7.554
  204    H    LYS  36           H        LYS  36 -13.670  -7.618  -9.344
  205    HA   LYS  36           HA       LYS  36 -15.782  -5.804  -9.885
  206   1HB   LYS  36          2HB       LYS  36 -14.649  -8.046 -11.619
  207   2HB   LYS  36          3HB       LYS  36 -15.688  -6.736 -12.192
  208   1HG   LYS  36          2HG       LYS  36 -13.963  -5.070 -11.577
  209   2HG   LYS  36          3HG       LYS  36 -12.909  -6.377 -11.007
  210   1HD   LYS  36          2HD       LYS  36 -13.008  -7.428 -13.285
  211   2HD   LYS  36          3HD       LYS  36 -14.027  -6.092 -13.841
  212   1HE   LYS  36          2HE       LYS  36 -11.759  -5.688 -14.569
  213   2HE   LYS  36          3HE       LYS  36 -12.168  -4.489 -13.329
  214   1HZ   LYS  36          3HZ       LYS  36 -10.660  -6.972 -12.864
  215   2HZ   LYS  36          1HZ       LYS  36  -9.992  -5.475 -13.039
  216   3HZ   LYS  36          2HZ       LYS  36 -10.969  -5.797 -11.749
  217    H    HIS  37           H        HIS  37 -15.743  -9.360  -9.690
  218    HA   HIS  37           HA       HIS  37 -18.577  -9.596 -10.501
  219   1HB   HIS  37          2HB       HIS  37 -16.553 -11.694  -9.689
  220   2HB   HIS  37          3HB       HIS  37 -18.134 -11.986 -10.404
  221    HD1  HIS  37           HD1      HIS  37 -18.324 -11.506 -13.076
  222    HD2  HIS  37           HD2      HIS  37 -14.541 -11.530 -11.271
  223    HE1  HIS  37           HE1      HIS  37 -16.639 -12.113 -14.898
  224    H    THR  38           H        THR  38 -16.466 -10.397  -7.696
  225    HA   THR  38           HA       THR  38 -18.760 -11.363  -6.150
  226    HB   THR  38           HB       THR  38 -17.093 -12.209  -4.669
  227    HG1  THR  38          1HG       THR  38 -14.899 -11.713  -5.002
  228   1HG2  THR  38          1HG2      THR  38 -17.399 -13.403  -6.870
  229   2HG2  THR  38          2HG2      THR  38 -15.950 -12.557  -7.472
  230   3HG2  THR  38          3HG2      THR  38 -15.819 -13.670  -6.107
  231    H    GLY  39           H        GLY  39 -16.852  -8.389  -6.253
  232   1HA   GLY  39          2HA       GLY  39 -16.970  -6.520  -4.928
  233   2HA   GLY  39          3HA       GLY  39 -18.363  -7.212  -4.085
  234    H    GLU  40           H        GLU  40 -15.575  -9.329  -4.139
  235    HA   GLU  40           HA       GLU  40 -15.278  -9.070  -1.255
  236   1HB   GLU  40          2HB       GLU  40 -13.742 -10.609  -3.377
  237   2HB   GLU  40          3HB       GLU  40 -13.403 -10.730  -1.650
  238   1HG   GLU  40          2HG       GLU  40 -15.566 -11.630  -1.141
  239   2HG   GLU  40          3HG       GLU  40 -16.175 -11.313  -2.764
  240    H    LYS  41           H        LYS  41 -13.688  -8.037  -0.132
  241    HA   LYS  41           HA       LYS  41 -11.406  -6.771  -1.579
  242   1HB   LYS  41          2HB       LYS  41 -12.961  -5.309   0.567
  243   2HB   LYS  41          3HB       LYS  41 -11.718  -4.721  -0.550
  244   1HG   LYS  41          2HG       LYS  41 -13.427  -5.427  -2.430
  245   2HG   LYS  41          3HG       LYS  41 -14.593  -5.532  -1.105
  246   1HD   LYS  41          2HD       LYS  41 -14.972  -3.366  -1.756
  247   2HD   LYS  41          3HD       LYS  41 -13.717  -3.118  -0.531
  248   1HE   LYS  41          2HE       LYS  41 -13.174  -1.791  -2.472
  249   2HE   LYS  41          3HE       LYS  41 -11.996  -3.111  -2.394
  250   1HZ   LYS  41          3HZ       LYS  41 -14.382  -3.037  -4.111
  251   2HZ   LYS  41          1HZ       LYS  41 -12.836  -2.749  -4.600
  252   3HZ   LYS  41          2HZ       LYS  41 -13.263  -4.247  -4.076
  253    HA   PRO  42           HA       PRO  42 -10.322  -9.933   1.610
  254   1HB   PRO  42          2HB       PRO  42  -7.741  -9.402   0.131
  255   2HB   PRO  42          3HB       PRO  42  -8.321 -10.955   0.803
  256   1HG   PRO  42          2HG       PRO  42  -8.609 -10.349  -1.810
  257   2HG   PRO  42          3HG       PRO  42  -9.986 -11.109  -0.935
  258   1HD   PRO  42          2HD       PRO  42  -9.572  -8.251  -1.743
  259   2HD   PRO  42          3HD       PRO  42 -11.070  -9.211  -1.691
  260    H    PHE  43           H        PHE  43  -8.721  -6.764   1.212
  261    HA   PHE  43           HA       PHE  43  -7.290  -7.164   3.819
  262   1HB   PHE  43          2HB       PHE  43  -6.697  -5.389   1.449
  263   2HB   PHE  43          3HB       PHE  43  -5.845  -5.371   2.974
  264    HD1  PHE  43           HD1      PHE  43  -4.406  -7.256   3.672
  265    HD2  PHE  43           HD2      PHE  43  -6.463  -7.355  -0.123
  266    HE1  PHE  43           HE1      PHE  43  -3.031  -9.188   2.960
  267    HE2  PHE  43           HE2      PHE  43  -5.063  -9.247  -0.834
  268    HZ   PHE  43           HZ       PHE  43  -3.338 -10.175   0.701
  269    HA   PRO  44           HA       PRO  44 -10.484  -3.952   4.682
  270   1HB   PRO  44          2HB       PRO  44 -11.441  -4.813   7.067
  271   2HB   PRO  44          3HB       PRO  44 -11.943  -5.564   5.525
  272   1HG   PRO  44          2HG       PRO  44  -9.758  -6.534   7.404
  273   2HG   PRO  44          3HG       PRO  44 -11.117  -7.482   6.732
  274   1HD   PRO  44          2HD       PRO  44  -8.644  -7.491   5.587
  275   2HD   PRO  44          3HD       PRO  44 -10.134  -7.529   4.593
  276    H    CYS  45           H        CYS  45 -10.207  -2.121   5.989
  277    HA   CYS  45           HA       CYS  45  -7.622  -1.850   7.384
  278   1HB   CYS  45          2HB       CYS  45  -8.405  -0.089   5.952
  279   2HB   CYS  45          3HB       CYS  45  -9.885   0.083   6.906
  280    H    LYS  46           H        LYS  46 -10.969  -2.395   8.227
  281    HA   LYS  46           HA       LYS  46 -12.043  -2.877  10.091
  282   1HB   LYS  46          2HB       LYS  46  -9.287  -3.510  11.165
  283   2HB   LYS  46          3HB       LYS  46 -10.776  -3.903  11.989
  284   1HG   LYS  46          2HG       LYS  46  -9.945  -4.900   9.239
  285   2HG   LYS  46          3HG       LYS  46  -9.869  -5.811  10.739
  286   1HD   LYS  46          2HD       LYS  46 -12.424  -4.925   9.300
  287   2HD   LYS  46          3HD       LYS  46 -11.758  -6.540   9.459
  288   1HE   LYS  46          2HE       LYS  46 -13.421  -6.584  11.053
  289   2HE   LYS  46          3HE       LYS  46 -12.006  -6.197  12.042
  290   1HZ   LYS  46          2HZ       LYS  46 -12.730  -3.872  11.925
  291   2HZ   LYS  46          3HZ       LYS  46 -14.036  -4.310  11.025
  292   3HZ   LYS  46          1HZ       LYS  46 -13.887  -4.842  12.572
  293    H    GLU  47           H        GLU  47  -9.549  -0.464  10.671
  294    HA   GLU  47           HA       GLU  47 -10.091   0.433  13.179
  295   1HB   GLU  47          2HB       GLU  47  -9.608   2.064  10.652
  296   2HB   GLU  47          3HB       GLU  47  -9.558   2.735  12.290
  297   1HG   GLU  47          2HG       GLU  47  -7.776   1.068  12.898
  298   2HG   GLU  47          3HG       GLU  47  -7.751   0.510  11.220
  299    H    GLU  48           H        GLU  48 -11.552   1.660  14.256
  300    HA   GLU  48           HA       GLU  48 -14.260   1.582  13.616
  301   1HB   GLU  48          2HB       GLU  48 -12.712   3.503  15.421
  302   2HB   GLU  48          3HB       GLU  48 -14.470   3.421  15.336
  303   1HG   GLU  48          2HG       GLU  48 -13.810   2.143  17.237
  304   2HG   GLU  48          3HG       GLU  48 -14.422   1.026  16.012
  305    H    GLY  49           H        GLY  49 -15.562   2.758  12.293
  306   1HA   GLY  49          2HA       GLY  49 -16.322   4.492  10.973
  307   2HA   GLY  49          3HA       GLY  49 -14.969   5.509  11.492
  308    H    CYS  50           H        CYS  50 -12.731   4.390  10.733
  309    HA   CYS  50           HA       CYS  50 -12.807   4.421   7.807
  310   1HB   CYS  50          2HB       CYS  50 -11.110   5.611   9.145
  311   2HB   CYS  50          3HB       CYS  50 -10.487   4.070   9.736
  312    H    GLU  51           H        GLU  51 -14.309   2.271   8.494
  313    HA   GLU  51           HA       GLU  51 -12.681  -0.168   8.465
  314   1HB   GLU  51          2HB       GLU  51 -14.753   0.028   9.779
  315   2HB   GLU  51          3HB       GLU  51 -15.689   0.187   8.277
  316   1HG   GLU  51          2HG       GLU  51 -15.081  -2.054   7.590
  317   2HG   GLU  51          3HG       GLU  51 -13.839  -2.159   8.846
  318    H    LYS  52           H        LYS  52 -11.659   0.954   6.509
  319    HA   LYS  52           HA       LYS  52 -13.014   0.890   3.952
  320   1HB   LYS  52          2HB       LYS  52 -10.071   0.677   4.592
  321   2HB   LYS  52          3HB       LYS  52 -10.728   1.156   3.025
  322   1HG   LYS  52          2HG       LYS  52 -11.062   2.762   5.598
  323   2HG   LYS  52          3HG       LYS  52  -9.755   2.991   4.436
  324   1HD   LYS  52          2HD       LYS  52 -11.379   3.555   2.663
  325   2HD   LYS  52          3HD       LYS  52 -12.733   3.206   3.752
  326   1HE   LYS  52          2HE       LYS  52 -12.350   5.625   3.566
  327   2HE   LYS  52          3HE       LYS  52 -12.104   5.060   5.225
  328   1HZ   LYS  52          3HZ       LYS  52  -9.965   5.549   3.268
  329   2HZ   LYS  52          1HZ       LYS  52 -10.402   6.581   4.481
  330   3HZ   LYS  52          2HZ       LYS  52  -9.761   5.108   4.845
  331    H    GLY  53           H        GLY  53 -12.368  -0.549   2.160
  332   1HA   GLY  53          2HA       GLY  53 -11.642  -3.358   2.930
  333   2HA   GLY  53          3HA       GLY  53 -12.956  -2.948   1.829
  334    H    PHE  54           H        PHE  54  -9.481  -3.325   2.133
  335    HA   PHE  54           HA       PHE  54  -9.026  -2.145  -0.547
  336   1HB   PHE  54          2HB       PHE  54  -7.088  -3.005   1.588
  337   2HB   PHE  54          3HB       PHE  54  -6.651  -2.496  -0.024
  338    HD1  PHE  54           HD2      PHE  54  -7.224  -0.184  -0.845
  339    HD2  PHE  54           HD1      PHE  54  -7.995  -1.363   3.218
  340    HE1  PHE  54           HE2      PHE  54  -7.345   2.204  -0.175
  341    HE2  PHE  54           HE1      PHE  54  -8.053   1.022   3.885
  342    HZ   PHE  54           HZ       PHE  54  -7.918   2.793   2.168
  343    H    THR  55           H        THR  55  -8.190  -3.380  -2.297
  344    HA   THR  55           HA       THR  55  -8.801  -6.245  -2.190
  345    HB   THR  55           HB       THR  55  -8.149  -5.783  -4.718
  346    HG1  THR  55          1HG       THR  55  -8.563  -3.573  -5.206
  347   1HG2  THR  55          2HG2      THR  55 -10.643  -4.643  -3.390
  348   2HG2  THR  55          3HG2      THR  55 -10.482  -4.991  -5.124
  349   3HG2  THR  55          1HG2      THR  55 -10.427  -6.312  -3.945
  350    H    SER  56           H        SER  56  -5.958  -4.402  -1.569
  351    HA   SER  56           HA       SER  56  -4.417  -6.882  -1.904
  352   1HB   SER  56          2HB       SER  56  -2.720  -5.979  -3.263
  353   2HB   SER  56          3HB       SER  56  -4.226  -5.549  -4.071
  354    HG   SER  56           HG       SER  56  -3.944  -3.491  -3.533
  355    H    LEU  57           H        LEU  57  -2.514  -6.961  -0.725
  356    HA   LEU  57           HA       LEU  57  -2.495  -5.660   1.776
  357   1HB   LEU  57          2HB       LEU  57  -1.353  -7.819   1.310
  358   2HB   LEU  57          3HB       LEU  57  -0.227  -7.000   0.227
  359    HG   LEU  57           HG       LEU  57   0.686  -5.716   2.130
  360   1HD1  LEU  57          1HD1      LEU  57  -1.287  -7.332   3.810
  361   2HD1  LEU  57          3HD1      LEU  57   0.070  -6.393   4.463
  362   3HD1  LEU  57          2HD1      LEU  57  -1.252  -5.562   3.642
  363   1HD2  LEU  57          3HD2      LEU  57   1.659  -7.890   1.494
  364   2HD2  LEU  57          1HD2      LEU  57   1.813  -7.592   3.234
  365   3HD2  LEU  57          2HD2      LEU  57   0.575  -8.716   2.634
  366    H    HIS  58           H        HIS  58  -0.839  -4.965  -1.323
  367    HA   HIS  58           HA       HIS  58   0.827  -2.859  -0.435
  368   1HB   HIS  58          2HB       HIS  58   1.081  -3.783  -2.682
  369   2HB   HIS  58          3HB       HIS  58  -0.552  -3.319  -3.102
  370    HD1  HIS  58           HD1      HIS  58   2.001  -0.906  -1.418
  371    HD2  HIS  58           HD2      HIS  58  -0.252  -1.529  -4.894
  372    HE1  HIS  58           HE1      HIS  58   2.272   1.196  -2.831
  373    H    HIS  59           H        HIS  59  -2.553  -2.769  -1.760
  374    HA   HIS  59           HA       HIS  59  -2.773   0.044  -1.537
  375   1HB   HIS  59          2HB       HIS  59  -4.978  -2.016  -1.491
  376   2HB   HIS  59          3HB       HIS  59  -5.177  -0.257  -1.667
  377    HD1  HIS  59           HD1      HIS  59  -2.194  -1.063  -3.543
  378    HD2  HIS  59           HD2      HIS  59  -6.355  -1.472  -4.113
  379    HE1  HIS  59           HE1      HIS  59  -2.544  -1.534  -6.030
  380    HE2  HIS  59           HE2      HIS  59  -5.047  -1.651  -6.413
  381    H    LEU  60           H        LEU  60  -3.489  -2.546   0.816
  382    HA   LEU  60           HA       LEU  60  -4.534  -0.829   2.826
  383   1HB   LEU  60          2HB       LEU  60  -4.522  -3.408   2.705
  384   2HB   LEU  60          3HB       LEU  60  -2.865  -3.332   3.304
  385    HG   LEU  60           HG       LEU  60  -3.743  -2.023   5.313
  386   1HD1  LEU  60          2HD1      LEU  60  -6.371  -2.764   3.958
  387   2HD1  LEU  60          3HD1      LEU  60  -6.263  -2.456   5.700
  388   3HD1  LEU  60          1HD1      LEU  60  -5.863  -1.169   4.559
  389   1HD2  LEU  60          2HD2      LEU  60  -3.228  -4.466   5.356
  390   2HD2  LEU  60          3HD2      LEU  60  -4.540  -4.007   6.459
  391   3HD2  LEU  60          1HD2      LEU  60  -4.918  -4.804   4.924
  392    H    THR  61           H        THR  61  -1.205  -1.908   2.139
  393    HA   THR  61           HA       THR  61   0.082  -0.663   4.326
  394    HB   THR  61           HB       THR  61   1.233  -1.286   1.586
  395    HG1  THR  61          1HG       THR  61   0.268  -3.092   2.612
  396   1HG2  THR  61          3HG2      THR  61   2.560  -0.979   4.315
  397   2HG2  THR  61          1HG2      THR  61   3.360  -1.533   2.832
  398   3HG2  THR  61          2HG2      THR  61   2.753   0.129   2.937
  399    H    ARG  62           H        ARG  62  -0.252   0.538   0.910
  400    HA   ARG  62           HA       ARG  62   0.985   3.024   1.502
  401   1HB   ARG  62          2HB       ARG  62   0.337   3.813  -0.603
  402   2HB   ARG  62          3HB       ARG  62   0.716   2.090  -0.780
  403   1HG   ARG  62          2HG       ARG  62  -1.748   1.652  -0.520
  404   2HG   ARG  62          3HG       ARG  62  -2.039   3.396  -0.636
  405   1HD   ARG  62          2HD       ARG  62  -1.007   3.381  -2.905
  406   2HD   ARG  62          3HD       ARG  62  -0.779   1.626  -2.765
  407    HE   ARG  62           HE       ARG  62  -3.471   2.253  -2.147
  408   1HH1  ARG  62          1HH1      ARG  62  -1.354   2.131  -4.999
  409   2HH1  ARG  62          2HH1      ARG  62  -2.703   1.989  -6.112
  410   1HH2  ARG  62          1HH2      ARG  62  -5.141   1.900  -3.551
  411   2HH2  ARG  62          2HH2      ARG  62  -4.896   1.713  -5.261
  412    H    HIS  63           H        HIS  63  -2.473   1.963   1.653
  413    HA   HIS  63           HA       HIS  63  -3.579   4.490   2.277
  414   1HB   HIS  63          2HB       HIS  63  -5.032   2.653   1.782
  415   2HB   HIS  63          3HB       HIS  63  -4.390   1.685   3.112
  416    HD1  HIS  63           HD1      HIS  63  -5.969   5.239   2.989
  417    HD2  HIS  63           HD2      HIS  63  -5.934   1.648   5.185
  418    HE1  HIS  63           HE1      HIS  63  -7.416   5.628   5.061
  419    H    SER  64           H        SER  64  -2.016   2.033   4.400
  420    HA   SER  64           HA       SER  64  -2.516   3.363   6.839
  421   1HB   SER  64          2HB       SER  64  -0.066   1.689   6.218
  422   2HB   SER  64          3HB       SER  64  -0.779   2.066   7.799
  423    HG   SER  64           HG       SER  64  -2.105   0.628   5.722
  424    H    LEU  65           H        LEU  65  -0.326   4.352   4.262
  425    HA   LEU  65           HA       LEU  65   1.451   5.934   5.862
  426   1HB   LEU  65          2HB       LEU  65   0.542   6.507   3.035
  427   2HB   LEU  65          3HB       LEU  65   1.952   7.165   3.851
  428    HG   LEU  65           HG       LEU  65   1.586   4.218   3.233
  429   1HD1  LEU  65          3HD1      LEU  65   1.789   5.584   1.191
  430   2HD1  LEU  65          1HD1      LEU  65   3.256   6.338   1.855
  431   3HD1  LEU  65          2HD1      LEU  65   3.244   4.602   1.454
  432   1HD2  LEU  65          2HD2      LEU  65   4.040   5.756   4.169
  433   2HD2  LEU  65          3HD2      LEU  65   3.113   4.595   5.154
  434   3HD2  LEU  65          1HD2      LEU  65   3.991   4.040   3.727
  435    H    THR  66           H        THR  66  -1.895   6.393   4.741
  436    HA   THR  66           HA       THR  66  -1.945   9.229   5.261
  437    HB   THR  66           HB       THR  66  -4.267   9.144   4.913
  438    HG1  THR  66          1HG       THR  66  -4.134   6.324   5.126
  439   1HG2  THR  66          3HG2      THR  66  -2.759   8.737   2.910
  440   2HG2  THR  66          1HG2      THR  66  -3.102   7.008   3.056
  441   3HG2  THR  66          2HG2      THR  66  -4.421   8.139   2.721
  442    H    HIS  67           H        HIS  67  -2.526   6.347   7.238
  443    HA   HIS  67           HA       HIS  67  -3.627   7.839   9.507
  444   1HB   HIS  67          2HB       HIS  67  -2.567   4.996   9.167
  445   2HB   HIS  67          3HB       HIS  67  -3.071   5.653  10.722
  446    HD1  HIS  67           HD1      HIS  67  -5.731   6.563  10.791
  447    HD2  HIS  67           HD2      HIS  67  -4.513   3.854   7.805
  448    HE1  HIS  67           HE1      HIS  67  -7.857   5.528   9.835
  449    H    THR  68           H        THR  68  -0.508   6.249   8.729
  450    HA   THR  68           HA       THR  68   0.783   7.179  11.142
  451    HB   THR  68           HB       THR  68   2.848   6.368  10.012
  452    HG1  THR  68          1HG       THR  68   1.084   5.573   7.928
  453   1HG2  THR  68          3HG2      THR  68   1.438   4.793  11.291
  454   2HG2  THR  68          1HG2      THR  68   0.479   4.445   9.837
  455   3HG2  THR  68          2HG2      THR  68   2.195   4.005   9.892
  456    H    GLY  69           H        GLY  69   0.315   8.612   7.955
  457   1HA   GLY  69          2HA       GLY  69   0.630  10.769   7.279
  458   2HA   GLY  69          3HA       GLY  69   1.376  11.180   8.833
  459    H    GLU  70           H        GLU  70   2.534   8.379   7.069
  460    HA   GLU  70           HA       GLU  70   5.189   9.565   6.874
  461   1HB   GLU  70          2HB       GLU  70   4.052   6.841   6.226
  462   2HB   GLU  70          3HB       GLU  70   5.763   7.211   6.026
  463   1HG   GLU  70          2HG       GLU  70   4.246   7.514   8.653
  464   2HG   GLU  70          3HG       GLU  70   5.179   6.084   8.197
  465    H    LYS  71           H        LYS  71   3.962  11.206   5.432
  466    HA   LYS  71           HA       LYS  71   3.717  10.632   2.582
  467   1HB   LYS  71          2HB       LYS  71   2.427  12.366   3.965
  468   2HB   LYS  71          3HB       LYS  71   3.938  13.223   4.151
  469   1HG   LYS  71          2HG       LYS  71   4.011  13.558   1.694
  470   2HG   LYS  71          3HG       LYS  71   2.480  12.676   1.512
  471   1HD   LYS  71          2HD       LYS  71   2.779  14.995   3.433
  472   2HD   LYS  71          3HD       LYS  71   2.455  15.294   1.710
  473   1HE   LYS  71          2HE       LYS  71   0.365  13.897   1.942
  474   2HE   LYS  71          3HE       LYS  71   0.682  13.751   3.678
  475   1HZ   LYS  71          3HZ       LYS  71   0.563  16.130   3.825
  476   2HZ   LYS  71          1HZ       LYS  71   0.250  16.249   2.211
  477   3HZ   LYS  71          2HZ       LYS  71  -0.832  15.506   3.209
  478    H    ASN  72           H        ASN  72   5.989   9.599   2.621
  479    HA   ASN  72           HA       ASN  72   8.203  11.593   2.704
  480   1HB   ASN  72          2HB       ASN  72   8.232   8.573   2.845
  481   2HB   ASN  72          3HB       ASN  72   9.673   9.586   2.867
  482   1HD2  ASN  72          1HD2      ASN  72   7.483   9.148   6.271
  483   2HD2  ASN  72          2HD2      ASN  72   6.916   8.515   4.727
  484    H    PHE  73           H        PHE  73   6.443  10.280   0.099
  485    HA   PHE  73           HA       PHE  73   8.818   9.624  -1.480
  486   1HB   PHE  73          2HB       PHE  73   5.928   9.960  -2.297
  487   2HB   PHE  73          3HB       PHE  73   7.240   9.462  -3.362
  488    HD1  PHE  73           HD1      PHE  73   8.750   7.483  -2.575
  489    HD2  PHE  73           HD2      PHE  73   4.937   8.346  -0.794
  490    HE1  PHE  73           HE1      PHE  73   8.751   5.262  -1.509
  491    HE2  PHE  73           HE2      PHE  73   4.867   6.073   0.175
  492    HZ   PHE  73           HZ       PHE  73   6.799   4.533  -0.130
  493    H    THR  74           H        THR  74  10.080  11.311  -1.234
  494    HA   THR  74           HA       THR  74   9.422  14.044  -1.761
  495    HB   THR  74           HB       THR  74  12.121  12.708  -1.479
  496    HG1  THR  74          1HG       THR  74  10.471  12.314   0.245
  497   1HG2  THR  74          2HG2      THR  74  11.176  15.554  -0.893
  498   2HG2  THR  74          3HG2      THR  74  12.784  14.901  -0.529
  499   3HG2  THR  74          1HG2      THR  74  12.265  15.062  -2.215
  500    H    CYS  75           H        CYS  75   9.224  14.982  -3.712
  501    HA   CYS  75           HA       CYS  75  10.040  13.837  -6.212
  502   1HB   CYS  75          2HB       CYS  75   8.306  15.425  -6.257
  503   2HB   CYS  75          3HB       CYS  75   9.209  16.601  -5.285
  504    H    ASP  76           H        ASP  76  12.132  13.528  -6.793
  505    HA   ASP  76           HA       ASP  76  14.313  14.920  -5.491
  506   1HB   ASP  76          2HB       ASP  76  14.524  12.602  -6.164
  507   2HB   ASP  76          3HB       ASP  76  14.239  13.024  -7.866
  508    H    SER  77           H        SER  77  13.435  17.073  -6.008
  509    HA   SER  77           HA       SER  77  14.698  18.188  -8.444
  510   1HB   SER  77          2HB       SER  77  12.293  17.638  -8.984
  511   2HB   SER  77          3HB       SER  77  11.801  18.743  -7.680
  512    HG   SER  77           HG       SER  77  11.848  19.689  -9.795
  513    H    ASP  78           H        ASP  78  16.080  19.610  -7.498
  514    HA   ASP  78           HA       ASP  78  16.114  20.460  -4.883
  515   1HB   ASP  78          2HB       ASP  78  17.105  21.984  -7.333
  516   2HB   ASP  78          3HB       ASP  78  17.598  22.295  -5.663
  517    H    GLY  79           H        GLY  79  15.017  21.931  -3.652
  518   1HA   GLY  79          2HA       GLY  79  13.792  23.837  -3.126
  519   2HA   GLY  79          3HA       GLY  79  13.668  24.278  -4.838
  520    H    CYS  80           H        CYS  80  12.562  22.191  -6.060
  521    HA   CYS  80           HA       CYS  80   9.793  22.075  -5.089
  522   1HB   CYS  80          2HB       CYS  80  10.292  22.453  -7.416
  523   2HB   CYS  80          3HB       CYS  80  11.276  21.002  -7.515
  524    H    ASP  81           H        ASP  81  11.431  20.935  -3.163
  525    HA   ASP  81           HA       ASP  81  11.484  18.009  -3.522
  526   1HB   ASP  81          2HB       ASP  81  12.246  19.745  -1.164
  527   2HB   ASP  81          3HB       ASP  81  12.491  18.001  -1.292
  528    H    LEU  82           H        LEU  82   8.965  18.711  -3.935
  529    HA   LEU  82           HA       LEU  82   7.337  18.819  -1.530
  530   1HB   LEU  82          2HB       LEU  82   6.758  18.137  -4.431
  531   2HB   LEU  82          3HB       LEU  82   5.500  18.093  -3.184
  532    HG   LEU  82           HG       LEU  82   7.118  20.559  -3.964
  533   1HD1  LEU  82          3HD1      LEU  82   5.611  19.759  -5.770
  534   2HD1  LEU  82          1HD1      LEU  82   4.251  19.733  -4.623
  535   3HD1  LEU  82          2HD1      LEU  82   5.018  21.272  -5.067
  536   1HD2  LEU  82          1HD2      LEU  82   4.681  20.198  -2.147
  537   2HD2  LEU  82          2HD2      LEU  82   6.294  20.759  -1.647
  538   3HD2  LEU  82          3HD2      LEU  82   5.303  21.762  -2.706
  539    H    ARG  83           H        ARG  83   6.475  17.160  -0.336
  540    HA   ARG  83           HA       ARG  83   7.457  14.423  -0.949
  541   1HB   ARG  83          2HB       ARG  83   6.342  15.292   1.707
  542   2HB   ARG  83          3HB       ARG  83   7.419  13.947   1.282
  543   1HG   ARG  83          2HG       ARG  83   9.127  15.798   0.576
  544   2HG   ARG  83          3HG       ARG  83   8.073  16.906   1.468
  545   1HD   ARG  83          2HD       ARG  83   9.710  16.241   3.032
  546   2HD   ARG  83          3HD       ARG  83   8.276  15.276   3.443
  547    HE   ARG  83           HE       ARG  83  10.354  14.177   1.588
  548   1HH1  ARG  83          2HH2      ARG  83   8.838  13.887   4.812
  549   2HH1  ARG  83          1HH2      ARG  83   9.539  12.304   5.071
  550   1HH2  ARG  83          1HH1      ARG  83  11.367  12.330   2.057
  551   2HH2  ARG  83          2HH1      ARG  83  11.119  11.478   3.578
  552    H    PHE  84           H        PHE  84   6.060  12.953  -1.636
  553    HA   PHE  84           HA       PHE  84   3.154  13.581  -1.595
  554   1HB   PHE  84          2HB       PHE  84   4.821  11.855  -3.439
  555   2HB   PHE  84          3HB       PHE  84   3.079  12.032  -3.548
  556    HD1  PHE  84           HD2      PHE  84   6.330  13.836  -3.964
  557    HD2  PHE  84           HD1      PHE  84   2.052  14.017  -4.504
  558    HE1  PHE  84           HE2      PHE  84   6.558  16.017  -5.043
  559    HE2  PHE  84           HE1      PHE  84   2.328  16.180  -5.681
  560    HZ   PHE  84           HZ       PHE  84   4.543  17.277  -5.772
  561    H    THR  85           H        THR  85   1.671  11.803  -1.524
  562    HA   THR  85           HA       THR  85   2.048  10.133   0.765
  563    HB   THR  85           HB       THR  85  -0.206   9.183  -0.346
  564    HG1  THR  85          1HG       THR  85  -0.336  11.763  -1.413
  565   1HG2  THR  85          2HG2      THR  85  -0.038  10.514   1.746
  566   2HG2  THR  85          3HG2      THR  85  -0.042  12.001   0.774
  567   3HG2  THR  85          1HG2      THR  85  -1.453  10.915   0.769
  568    H    THR  86           H        THR  86   1.990   9.411  -2.775
  569    HA   THR  86           HA       THR  86   3.156   6.735  -2.134
  570    HB   THR  86           HB       THR  86   1.785   5.735  -3.839
  571    HG1  THR  86          1HG       THR  86   0.037   7.195  -4.693
  572   1HG2  THR  86          1HG2      THR  86   0.824   5.994  -1.502
  573   2HG2  THR  86          2HG2      THR  86  -0.103   7.383  -2.109
  574   3HG2  THR  86          3HG2      THR  86  -0.370   5.770  -2.794
  575    H    LYS  87           H        LYS  87   4.341   5.786  -3.892
  576    HA   LYS  87           HA       LYS  87   6.141   7.572  -5.149
  577   1HB   LYS  87          2HB       LYS  87   5.440   4.675  -5.810
  578   2HB   LYS  87          3HB       LYS  87   6.793   5.590  -6.512
  579   1HG   LYS  87          2HG       LYS  87   7.800   5.947  -4.372
  580   2HG   LYS  87          3HG       LYS  87   6.474   5.139  -3.516
  581   1HD   LYS  87          2HD       LYS  87   8.184   3.787  -5.635
  582   2HD   LYS  87          3HD       LYS  87   8.668   3.815  -3.943
  583   1HE   LYS  87          2HE       LYS  87   5.981   2.676  -4.852
  584   2HE   LYS  87          3HE       LYS  87   7.448   1.713  -4.656
  585   1HZ   LYS  87          3HZ       LYS  87   7.551   2.353  -2.390
  586   2HZ   LYS  87          1HZ       LYS  87   6.194   3.279  -2.525
  587   3HZ   LYS  87          2HZ       LYS  87   6.100   1.643  -2.712
  588    H    ALA  88           H        ALA  88   3.188   5.886  -6.394
  589    HA   ALA  88           HA       ALA  88   3.559   6.923  -9.031
  590   1HB   ALA  88          2HB       ALA  88   2.261   4.973  -8.587
  591   2HB   ALA  88          3HB       ALA  88   0.974   5.949  -7.811
  592   3HB   ALA  88          1HB       ALA  88   1.369   6.177  -9.544
  593    H    ASN  89           H        ASN  89   1.928   8.325  -6.123
  594    HA   ASN  89           HA       ASN  89   0.802  10.547  -7.600
  595   1HB   ASN  89          2HB       ASN  89   1.554  10.230  -4.669
  596   2HB   ASN  89          3HB       ASN  89   0.819  11.690  -5.344
  597   1HD2  ASN  89          1HD2      ASN  89  -1.993   9.615  -4.057
  598   2HD2  ASN  89          2HD2      ASN  89  -0.584  10.347  -3.288
  599    H    MET  90           H        MET  90   3.931  10.027  -5.931
  600    HA   MET  90           HA       MET  90   5.093  12.563  -6.467
  601   1HB   MET  90          2HB       MET  90   6.091  10.877  -4.960
  602   2HB   MET  90          3HB       MET  90   6.359   9.804  -6.320
  603   1HG   MET  90          2HG       MET  90   7.911  11.508  -7.320
  604   2HG   MET  90          3HG       MET  90   7.702  12.464  -5.848
  605   1HE   MET  90          3HE       MET  90   8.968   9.076  -7.408
  606   2HE   MET  90          1HE       MET  90   9.827   8.335  -6.034
  607   3HE   MET  90          2HE       MET  90   8.067   8.397  -6.031
  608    H    LYS  91           H        LYS  91   5.057   9.559  -8.447
  609    HA   LYS  91           HA       LYS  91   6.503  10.646 -10.652
  610   1HB   LYS  91          2HB       LYS  91   4.481   8.396 -10.535
  611   2HB   LYS  91          3HB       LYS  91   5.439   8.786 -11.961
  612   1HG   LYS  91          2HG       LYS  91   6.615   7.916  -9.278
  613   2HG   LYS  91          3HG       LYS  91   6.356   6.896 -10.696
  614   1HD   LYS  91          2HD       LYS  91   7.884   8.540 -11.967
  615   2HD   LYS  91          3HD       LYS  91   8.284   9.229 -10.371
  616   1HE   LYS  91          2HE       LYS  91   9.002   6.965  -9.598
  617   2HE   LYS  91          3HE       LYS  91   8.646   6.317 -11.213
  618   1HZ   LYS  91          1HZ       LYS  91  10.287   7.796 -12.106
  619   2HZ   LYS  91          2HZ       LYS  91  10.625   8.398 -10.609
  620   3HZ   LYS  91          3HZ       LYS  91  10.946   6.819 -10.956
  621    H    LYS  92           H        LYS  92   2.923  10.494 -10.117
  622    HA   LYS  92           HA       LYS  92   2.150  11.698 -12.557
  623   1HB   LYS  92          2HB       LYS  92   0.942  11.889  -9.760
  624   2HB   LYS  92          3HB       LYS  92   0.267  12.714 -11.164
  625   1HG   LYS  92          2HG       LYS  92  -0.110  10.577 -12.317
  626   2HG   LYS  92          3HG       LYS  92   0.668   9.708 -10.987
  627   1HD   LYS  92          2HD       LYS  92  -1.714   9.500 -10.686
  628   2HD   LYS  92          3HD       LYS  92  -1.097  10.557  -9.423
  629   1HE   LYS  92          2HE       LYS  92  -1.858  12.547 -10.920
  630   2HE   LYS  92          3HE       LYS  92  -2.687  11.328 -11.908
  631   1HZ   LYS  92          1HZ       LYS  92  -3.881  10.702  -9.922
  632   2HZ   LYS  92          2HZ       LYS  92  -3.106  11.854  -9.043
  633   3HZ   LYS  92          3HZ       LYS  92  -4.104  12.303 -10.268
  634    H    HIS  93           H        HIS  93   2.990  13.278  -9.417
  635    HA   HIS  93           HA       HIS  93   2.771  15.954 -10.360
  636   1HB   HIS  93          2HB       HIS  93   2.979  15.678  -8.040
  637   2HB   HIS  93          3HB       HIS  93   4.407  14.650  -8.170
  638    HD1  HIS  93           HD1      HIS  93   3.509  18.387  -8.686
  639    HD2  HIS  93           HD2      HIS  93   6.787  15.771  -8.393
  640    HE1  HIS  93           HE1      HIS  93   5.606  19.838  -8.674
  641    H    PHE  94           H        PHE  94   5.668  13.856 -10.176
  642    HA   PHE  94           HA       PHE  94   7.494  15.643 -11.260
  643   1HB   PHE  94          2HB       PHE  94   7.817  13.293 -10.204
  644   2HB   PHE  94          3HB       PHE  94   7.615  12.660 -11.830
  645    HD1  PHE  94           HD2      PHE  94   9.269  13.557 -13.661
  646    HD2  PHE  94           HD1      PHE  94   9.867  14.151  -9.424
  647    HE1  PHE  94           HE2      PHE  94  11.631  14.172 -14.071
  648    HE2  PHE  94           HE1      PHE  94  12.238  14.747  -9.850
  649    HZ   PHE  94           HZ       PHE  94  13.116  14.777 -12.168
  650    H    ASN  95           H        ASN  95   5.367  13.357 -12.917
  651    HA   ASN  95           HA       ASN  95   6.238  13.804 -15.582
  652   1HB   ASN  95          2HB       ASN  95   3.730  12.708 -14.308
  653   2HB   ASN  95          3HB       ASN  95   3.708  13.106 -16.018
  654   1HD2  ASN  95          1HD2      ASN  95   5.697   9.780 -14.757
  655   2HD2  ASN  95          2HD2      ASN  95   4.996  10.917 -13.600
  656    H    ARG  96           H        ARG  96   3.330  14.997 -13.918
  657    HA   ARG  96           HA       ARG  96   2.392  16.809 -15.745
  658   1HB   ARG  96          2HB       ARG  96   1.284  15.959 -13.671
  659   2HB   ARG  96          3HB       ARG  96   2.259  17.083 -12.724
  660   1HG   ARG  96          2HG       ARG  96   1.239  18.947 -14.163
  661   2HG   ARG  96          3HG       ARG  96   0.163  17.724 -14.849
  662   1HD   ARG  96          2HD       ARG  96   0.360  18.550 -11.913
  663   2HD   ARG  96          3HD       ARG  96  -0.888  19.016 -13.043
  664    HE   ARG  96           HE       ARG  96  -1.784  16.841 -13.124
  665   1HH1  ARG  96          1HH1      ARG  96   0.799  16.978 -10.715
  666   2HH1  ARG  96          2HH1      ARG  96  -0.009  15.921  -9.596
  667   1HH2  ARG  96          1HH2      ARG  96  -2.882  15.535 -11.618
  668   2HH2  ARG  96          2HH2      ARG  96  -2.223  15.221 -10.038
  669    H    PHE  97           H        PHE  97   4.792  17.511 -13.166
  670    HA   PHE  97           HA       PHE  97   4.978  20.320 -14.005
  671   1HB   PHE  97          2HB       PHE  97   6.145  18.715 -11.722
  672   2HB   PHE  97          3HB       PHE  97   6.739  20.311 -12.129
  673    HD1  PHE  97           HD2      PHE  97   3.365  18.715 -11.628
  674    HD2  PHE  97           HD1      PHE  97   5.940  22.097 -10.902
  675    HE1  PHE  97           HE2      PHE  97   1.579  19.819 -10.339
  676    HE2  PHE  97           HE1      PHE  97   4.198  23.108  -9.468
  677    HZ   PHE  97           HZ       PHE  97   2.022  21.948  -9.143
  678    H    HIS  98           H        HIS  98   7.117  17.429 -14.227
  679    HA   HIS  98           HA       HIS  98   9.219  19.226 -15.395
  680   1HB   HIS  98          2HB       HIS  98   9.645  16.556 -14.068
  681   2HB   HIS  98          3HB       HIS  98  10.848  17.753 -14.542
  682    HD1  HIS  98           HD1      HIS  98   9.583  20.353 -13.250
  683    HD2  HIS  98           HD2      HIS  98   9.549  16.549 -11.480
  684    HE1  HIS  98           HE1      HIS  98   9.080  20.703 -10.773
  685    H    ASN  99           H        ASN  99   7.532  16.082 -15.933
  686    HA   ASN  99           HA       ASN  99   9.214  15.619 -18.287
  687   1HB   ASN  99          2HB       ASN  99   8.114  13.832 -16.841
  688   2HB   ASN  99          3HB       ASN  99   6.628  14.166 -17.761
  689   1HD2  ASN  99          1HD2      ASN  99   8.629  13.051 -20.838
  690   2HD2  ASN  99          2HD2      ASN  99   8.054  14.648 -20.407
  691    H    ILE 100           H        ILE 100   5.823  16.677 -17.745
  692    HA   ILE 100           HA       ILE 100   5.714  17.565 -20.617
  693    HB   ILE 100           HB       ILE 100   3.332  17.271 -20.540
  694   1HG1  ILE 100          2HG1      ILE 100   3.574  15.830 -17.881
  695   2HG1  ILE 100          3HG1      ILE 100   3.147  17.547 -17.969
  696   1HG2  ILE 100          2HG2      ILE 100   4.848  15.447 -21.306
  697   2HG2  ILE 100          3HG2      ILE 100   4.771  14.718 -19.689
  698   3HG2  ILE 100          1HG2      ILE 100   3.310  14.839 -20.687
  699   1HD1  ILE 100          2HD1      ILE 100   1.207  16.978 -19.415
  700   2HD1  ILE 100          3HD1      ILE 100   1.596  15.251 -19.237
  701   3HD1  ILE 100          1HD1      ILE 100   1.131  16.206 -17.820
  702    H    LYS 101           H        LYS 101   5.876  18.742 -17.432
  703    HA   LYS 101           HA       LYS 101   5.413  20.732 -16.486
  704   1HB   LYS 101          2HB       LYS 101   7.225  21.327 -18.041
  705   2HB   LYS 101          3HB       LYS 101   6.048  21.698 -19.304
  706   1HG   LYS 101          2HG       LYS 101   6.907  23.727 -18.295
  707   2HG   LYS 101          3HG       LYS 101   5.174  23.581 -18.000
  708   1HD   LYS 101          2HD       LYS 101   5.647  22.785 -15.668
  709   2HD   LYS 101          3HD       LYS 101   7.383  22.846 -16.011
  710   1HE   LYS 101          2HE       LYS 101   6.713  24.813 -14.748
  711   2HE   LYS 101          3HE       LYS 101   7.194  25.317 -16.377
  712   1HZ   LYS 101          3HZ       LYS 101   4.430  24.900 -15.455
  713   2HZ   LYS 101          1HZ       LYS 101   5.168  26.363 -15.635
  714   3HZ   LYS 101          2HZ       LYS 101   4.876  25.419 -16.953
  715   1H5*    T   1          1H5*        T   1  -4.117  23.644 -16.147
  716   2H5*    T   1          2H5*        T   1  -2.458  23.000 -16.173
  717    H4*    T   1           H4*        T   1  -3.287  23.908 -13.912
  718    H3*    T   1           H3*        T   1  -1.824  21.441 -14.405
  719   1H2*    T   1          1H2*        T   1  -3.482  20.120 -13.459
  720   2H2*    T   1          2H2*        T   1  -2.761  20.628 -11.910
  721    H1*    T   1           H1*        T   1  -4.259  22.553 -11.787
  722    H3     T   1           H3         T   1  -7.549  20.240  -9.594
  723   1H5M    T   1          1H5M        T   1  -7.438  18.319 -14.618
  724   2H5M    T   1          2H5M        T   1  -8.719  17.908 -13.465
  725   3H5M    T   1          3H5M        T   1  -8.844  19.393 -14.424
  726    H6     T   1           H6         T   1  -5.938  20.200 -14.118
  727    H5T    T   1           H5T        T   1  -4.760  21.462 -15.633
  728   1H5*    T   2          1H5*        T   2  -1.847  22.700 -10.013
  729   2H5*    T   2          2H5*        T   2  -0.240  22.498  -9.294
  730    H4*    T   2           H4*        T   2  -1.791  21.442  -7.829
  731    H3*    T   2           H3*        T   2  -0.359  19.389  -9.541
  732   1H2*    T   2          1H2*        T   2  -1.780  17.830  -8.951
  733   2H2*    T   2          2H2*        T   2  -1.718  18.258  -7.208
  734    H1*    T   2           H1*        T   2  -3.426  19.772  -7.390
  735    H3     T   2           H3         T   2  -7.037  17.131  -8.013
  736   1H5M    T   2          1H5M        T   2  -4.547  17.626 -12.817
  737   2H5M    T   2          2H5M        T   2  -4.850  15.944 -12.307
  738   3H5M    T   2          3H5M        T   2  -6.203  17.015 -12.656
  739    H6     T   2           H6         T   2  -3.396  18.423 -10.865
  740   1H5*    G   3          1H5*        G   3   0.059  19.376  -4.851
  741   2H5*    G   3          2H5*        G   3   1.469  18.437  -4.326
  742    H4*    G   3           H4*        G   3  -0.679  18.042  -3.090
  743    H3*    G   3           H3*        G   3   1.200  16.140  -3.494
  744   1H2*    G   3          1H2*        G   3   0.187  15.391  -5.621
  745   2H2*    G   3          2H2*        G   3  -0.458  14.181  -4.480
  746    H1*    G   3           H1*        G   3  -2.414  15.526  -4.049
  747    H8     G   3           H8         G   3  -0.889  15.405  -7.622
  748    H1     G   3           H1         G   3  -7.185  14.182  -7.164
  749   1H2     G   3           H21        G   3  -7.777  14.403  -4.927
  750   2H2     G   3           H22        G   3  -6.606  15.012  -3.782
  751   1H5*    G   4          1H5*        G   4  -2.266  15.835  -0.503
  752   2H5*    G   4          2H5*        G   4  -1.840  14.909   0.946
  753    H4*    G   4           H4*        G   4  -4.280  14.955   0.502
  754    H3*    G   4           H3*        G   4  -2.844  12.678   1.167
  755   1H2*    G   4          1H2*        G   4  -2.751  11.822  -1.072
  756   2H2*    G   4          2H2*        G   4  -4.254  11.028  -0.531
  757    H1*    G   4           H1*        G   4  -5.605  12.804  -1.421
  758    H8     G   4           H8         G   4  -2.220  13.048  -3.369
  759    H1     G   4           H1         G   4  -7.168  10.750  -6.759
  760   1H2     G   4           H21        G   4  -8.849  10.188  -5.261
  761   2H2     G   4           H22        G   4  -8.743  10.746  -3.602
  762   1H5*    A   5          1H5*        A   5  -7.442  11.352   0.649
  763   2H5*    A   5          2H5*        A   5  -7.754  10.162   1.930
  764    H4*    A   5           H4*        A   5  -8.558   9.336  -0.208
  765    H3*    A   5           H3*        A   5  -6.554   7.834   1.306
  766   1H2*    A   5          1H2*        A   5  -5.083   7.866  -0.476
  767   2H2*    A   5          2H2*        A   5  -6.059   6.493  -1.060
  768    H1*    A   5           H1*        A   5  -7.548   8.013  -2.278
  769    H8     A   5           H8         A   5  -3.844   9.248  -1.997
  770   1H6     A   5           H61        A   5  -3.709   8.530  -8.139
  771   2H6     A   5           H62        A   5  -2.767   8.946  -6.714
  772    H2     A   5           H2         A   5  -7.734   7.295  -6.709
  773   1H5*    T   6          1H5*        T   6  -9.939   5.889  -1.503
  774   2H5*    T   6          2H5*        T   6 -10.383   4.334  -0.767
  775    H4*    T   6           H4*        T   6 -10.572   4.272  -3.232
  776    H3*    T   6           H3*        T   6  -9.126   2.366  -1.666
  777   1H2*    T   6          1H2*        T   6  -7.076   2.962  -2.509
  778   2H2*    T   6          2H2*        T   6  -7.498   1.797  -3.779
  779    H1*    T   6           H1*        T   6  -8.565   3.559  -5.122
  780    H3     T   6           H3         T   6  -4.841   4.788  -7.428
  781   1H5M    T   6          1H5M        T   6  -2.797   6.444  -3.556
  782   2H5M    T   6          2H5M        T   6  -3.994   6.171  -2.274
  783   3H5M    T   6          3H5M        T   6  -2.897   4.870  -2.755
  784    H6     T   6           H6         T   6  -6.026   4.873  -2.765
  785   1H5*    G   7          1H5*        G   7 -11.720   1.009  -5.623
  786   2H5*    G   7          2H5*        G   7 -12.185  -0.670  -5.287
  787    H4*    G   7           H4*        G   7 -12.032  -0.295  -7.694
  788    H3*    G   7           H3*        G   7 -10.742  -2.450  -6.463
  789   1H2*    G   7          1H2*        G   7  -8.646  -1.462  -6.385
  790   2H2*    G   7          2H2*        G   7  -8.486  -2.293  -7.934
  791    H1*    G   7           H1*        G   7  -9.080  -0.334  -9.195
  792    H8     G   7           H8         G   7  -8.008   0.667  -5.606
  793    H1     G   7           H1         G   7  -3.592   2.016 -10.034
  794   1H2     G   7           H21        G   7  -4.357   1.457 -12.101
  795   2H2     G   7           H22        G   7  -5.941   0.724 -12.278
  796   1H5*    G   8          1H5*        G   8  -9.825  -1.897 -11.102
  797   2H5*    G   8          2H5*        G   8 -10.338  -3.453 -11.777
  798    H4*    G   8           H4*        G   8  -8.481  -2.714 -13.090
  799    H3*    G   8           H3*        G   8  -8.381  -5.186 -11.659
  800   1H2*    G   8          1H2*        G   8  -6.800  -4.420 -10.142
  801   2H2*    G   8          2H2*        G   8  -5.666  -5.014 -11.362
  802    H1*    G   8           H1*        G   8  -5.522  -2.814 -12.413
  803    H8     G   8           H8         G   8  -6.508  -2.668  -8.659
  804    H1     G   8           H1         G   8  -0.732  -0.159  -9.893
  805   1H2     G   8           H21        G   8  -0.255  -0.414 -12.119
  806   2H2     G   8           H22        G   8  -1.426  -1.158 -13.199
  807   1H5*    G   9          1H5*        G   9  -5.098  -4.086 -14.834
  808   2H5*    G   9          2H5*        G   9  -4.866  -5.523 -15.850
  809    H4*    G   9           H4*        G   9  -2.769  -4.348 -15.642
  810    H3*    G   9           H3*        G   9  -3.037  -7.104 -15.022
  811   1H2*    G   9          1H2*        G   9  -2.898  -6.641 -12.665
  812   2H2*    G   9          2H2*        G   9  -1.200  -7.011 -13.044
  813    H1*    G   9           H1*        G   9  -0.766  -4.633 -13.513
  814    H8     G   9           H8         G   9  -3.393  -5.266 -10.663
  815    H1     G   9           H1         G   9   1.966  -2.252  -8.815
  816   1H2     G   9           H21        G   9   3.396  -2.082 -10.606
  817   2H2     G   9           H22        G   9   2.878  -2.664 -12.183
  818   1H5*    A  10          1H5*        A  10   1.081  -4.736 -15.548
  819   2H5*    A  10          2H5*        A  10   1.936  -5.776 -16.701
  820    H4*    A  10           H4*        A  10   3.530  -4.423 -15.500
  821    H3*    A  10           H3*        A  10   3.672  -7.269 -15.632
  822   1H2*    A  10          1H2*        A  10   3.275  -7.565 -13.346
  823   2H2*    A  10          2H2*        A  10   5.040  -7.331 -13.241
  824    H1*    A  10           H1*        A  10   4.772  -4.961 -12.802
  825    H8     A  10           H8         A  10   1.430  -6.696 -11.878
  826   1H6     A  10           H61        A  10   2.597  -5.086  -6.060
  827   2H6     A  10           H62        A  10   1.470  -5.786  -7.206
  828    H2     A  10           H2         A  10   6.158  -3.932  -8.562
  829   1H5*    G  11          1H5*        G  11   7.279  -4.905 -13.987
  830   2H5*    G  11          2H5*        G  11   8.820  -5.540 -14.602
  831    H4*    G  11           H4*        G  11   8.964  -4.936 -12.225
  832    H3*    G  11           H3*        G  11   9.723  -7.522 -13.252
  833   1H2*    G  11          1H2*        G  11   8.006  -8.595 -11.983
  834   2H2*    G  11          2H2*        G  11   9.293  -8.587 -10.742
  835    H1*    G  11           H1*        G  11   8.533  -6.375  -9.957
  836    H8     G  11           H8         G  11   5.502  -8.516 -11.257
  837    H1     G  11           H1         G  11   5.528  -7.215  -4.964
  838   1H2     G  11           H21        G  11   7.615  -6.301  -4.446
  839   2H2     G  11           H22        G  11   8.697  -5.831  -5.740
  840   1H5*    A  12          1H5*        A  12  12.029  -5.091  -9.845
  841   2H5*    A  12          2H5*        A  12  13.745  -5.483 -10.074
  842    H4*    A  12           H4*        A  12  13.232  -4.792  -7.761
  843    H3*    A  12           H3*        A  12  14.825  -6.962  -8.394
  844   1H2*    A  12          1H2*        A  12  13.119  -8.597  -8.145
  845   2H2*    A  12          2H2*        A  12  13.790  -8.637  -6.502
  846    H1*    A  12           H1*        A  12  12.143  -7.124  -5.670
  847    H8     A  12           H8         A  12  10.839  -8.778  -8.978
  848   1H6     A  12           H61        A  12   6.041 -10.642  -5.616
  849   2H6     A  12           H62        A  12   6.817 -10.626  -7.202
  850    H2     A  12           H2         A  12   8.905  -8.587  -2.864
  851   1H5*    C  13          1H5*        C  13  13.997  -6.295  -3.751
  852   2H5*    C  13          2H5*        C  13  15.513  -6.545  -2.858
  853    H4*    C  13           H4*        C  13  13.587  -7.489  -1.652
  854    H3*    C  13           H3*        C  13  15.935  -9.063  -2.387
  855   1H2*    C  13          1H2*        C  13  14.683 -10.669  -3.458
  856   2H2*    C  13          2H2*        C  13  14.322 -11.259  -1.823
  857    H1*    C  13           H1*        C  13  12.334  -9.871  -1.672
  858   1H4     C  13           H41        C  13   9.748 -12.716  -7.188
  859   2H4     C  13           H42        C  13   8.641 -12.998  -5.864
  860    H5     C  13           H5         C  13  11.907 -11.563  -6.861
  861    H6     C  13           H6         C  13  13.286 -10.427  -5.241
  862   1H5*    C  14          1H5*        C  14  13.279 -10.442   1.098
  863   2H5*    C  14          2H5*        C  14  14.132 -11.314   2.389
  864    H4*    C  14           H4*        C  14  12.051 -12.450   1.569
  865    H3*    C  14           H3*        C  14  14.700 -13.844   1.372
  866   1H2*    C  14          1H2*        C  14  13.963 -15.082  -0.361
  867   2H2*    C  14          2H2*        C  14  12.595 -15.692   0.605
  868    H1*    C  14           H1*        C  14  11.148 -13.967  -0.032
  869   1H4     C  14           H41        C  14  12.541 -14.806  -6.535
  870   2H4     C  14           H42        C  14  10.933 -15.443  -6.234
  871    H5     C  14           H5         C  14  13.948 -13.907  -4.700
  872    H6     C  14           H6         C  14  13.979 -13.447  -2.290
  873   1H5*    G  15          1H5*        G  15  10.953 -16.032   2.805
  874   2H5*    G  15          2H5*        G  15  11.299 -17.293   4.007
  875    H4*    G  15           H4*        G  15   9.771 -18.119   2.275
  876    H3*    G  15           H3*        G  15  12.394 -19.426   2.716
  877   1H2*    G  15          1H2*        G  15  12.845 -19.472   0.460
  878   2H2*    G  15          2H2*        G  15  11.632 -20.786   0.399
  879    H1*    G  15           H1*        G  15   9.851 -19.203  -0.059
  880    H8     G  15           H8         G  15  13.312 -17.844  -1.290
  881    H1     G  15           H1         G  15   8.981 -18.872  -5.931
  882   1H2     G  15           H21        G  15   7.052 -19.704  -4.958
  883   2H2     G  15           H22        G  15   6.977 -19.943  -3.227
  884    H3T    G  15           H3T        G  15  10.416 -20.192   3.546
  885   1H5*    C  16          1H5*        C  16   4.077 -23.603 -11.368
  886   2H5*    C  16          2H5*        C  16   2.585 -22.712 -11.742
  887    H4*    C  16           H4*        C  16   3.471 -22.378  -9.379
  888    H3*    C  16           H3*        C  16   2.983 -20.089 -11.270
  889   1H2*    C  16          1H2*        C  16   4.485 -18.812 -10.226
  890   2H2*    C  16          2H2*        C  16   3.673 -19.018  -8.653
  891    H1*    C  16           H1*        C  16   4.919 -20.929  -8.104
  892   1H4     C  16           H41        C  16  10.602 -17.603  -9.429
  893   2H4     C  16           H42        C  16  10.433 -17.685  -7.687
  894    H5     C  16           H5         C  16   8.907 -18.525 -10.953
  895    H6     C  16           H6         C  16   6.781 -19.666 -11.067
  896    H5T    C  16           H5T        C  16   5.183 -21.707 -12.174
  897   1H5*    G  17          1H5*        G  17   1.880 -20.544  -7.043
  898   2H5*    G  17          2H5*        G  17   0.256 -19.952  -6.640
  899    H4*    G  17           H4*        G  17   1.781 -19.542  -4.776
  900    H3*    G  17           H3*        G  17   0.248 -17.475  -5.973
  901   1H2*    G  17          1H2*        G  17   2.176 -16.489  -6.995
  902   2H2*    G  17          2H2*        G  17   2.149 -15.584  -5.453
  903    H1*    G  17           H1*        G  17   3.560 -17.291  -4.386
  904    H8     G  17           H8         G  17   4.246 -16.695  -8.172
  905    H1     G  17           H1         G  17   9.227 -15.701  -4.232
  906   1H2     G  17           H21        G  17   8.504 -16.145  -2.052
  907   2H2     G  17           H22        G  17   6.858 -16.671  -1.773
  908   1H5*    G  18          1H5*        G  18   1.195 -17.840  -1.388
  909   2H5*    G  18          2H5*        G  18  -0.170 -17.165  -0.477
  910    H4*    G  18           H4*        G  18   1.909 -17.041   0.821
  911    H3*    G  18           H3*        G  18   0.217 -14.865   0.481
  912   1H2*    G  18          1H2*        G  18   1.485 -13.853  -1.214
  913   2H2*    G  18          2H2*        G  18   2.227 -13.039   0.182
  914    H1*    G  18           H1*        G  18   4.045 -14.597   0.254
  915    H8     G  18           H8         G  18   2.413 -14.699  -3.296
  916    H1     G  18           H1         G  18   8.472 -12.591  -3.274
  917   1H2     G  18           H21        G  18   9.141 -12.305  -1.092
  918   2H2     G  18           H22        G  18   8.144 -12.897   0.226
  919   1H5*    T  19          1H5*        T  19   4.082 -13.872   3.036
  920   2H5*    T  19          2H5*        T  19   3.623 -12.852   4.418
  921    H4*    T  19           H4*        T  19   5.733 -12.112   3.356
  922    H3*    T  19           H3*        T  19   3.449 -10.347   3.776
  923   1H2*    T  19          1H2*        T  19   3.361  -9.763   1.555
  924   2H2*    T  19          2H2*        T  19   4.714  -8.684   1.940
  925    H1*    T  19           H1*        T  19   6.355 -10.405   1.390
  926    H3     T  19           H3         T  19   6.678  -9.914  -3.172
  927   1H5M    T  19          1H5M        T  19   1.764 -11.841  -2.156
  928   2H5M    T  19          2H5M        T  19   1.682 -10.158  -2.698
  929   3H5M    T  19          3H5M        T  19   2.311 -11.423  -3.790
  930    H6     T  19           H6         T  19   3.086 -11.050  -0.213
  931   1H5*    C  20          1H5*        C  20   7.630  -8.529   3.206
  932   2H5*    C  20          2H5*        C  20   7.911  -7.008   4.081
  933    H4*    C  20           H4*        C  20   8.581  -6.931   1.680
  934    H3*    C  20           H3*        C  20   6.693  -4.992   2.869
  935   1H2*    C  20          1H2*        C  20   5.242  -5.185   1.115
  936   2H2*    C  20          2H2*        C  20   6.442  -4.272   0.163
  937    H1*    C  20           H1*        C  20   7.560  -6.297  -0.524
  938   1H4     C  20           H41        C  20   1.741  -7.910  -3.524
  939   2H4     C  20           H42        C  20   3.009  -7.829  -4.739
  940    H5     C  20           H5         C  20   2.274  -7.655  -1.097
  941    H6     C  20           H6         C  20   4.020  -7.070   0.463
  942   1H5*    T  21          1H5*        T  21  10.171  -3.909  -0.266
  943   2H5*    T  21          2H5*        T  21  10.645  -2.208  -0.085
  944    H4*    T  21           H4*        T  21  10.684  -3.058  -2.444
  945    H3*    T  21           H3*        T  21   9.446  -0.573  -1.609
  946   1H2*    T  21          1H2*        T  21   7.356  -1.172  -2.326
  947   2H2*    T  21          2H2*        T  21   7.954  -0.704  -3.935
  948    H1*    T  21           H1*        T  21   8.704  -2.960  -4.413
  949    H3     T  21           H3         T  21   4.722  -4.473  -6.011
  950   1H5M    T  21          1H5M        T  21   2.977  -2.879  -1.730
  951   2H5M    T  21          2H5M        T  21   2.948  -4.636  -1.608
  952   3H5M    T  21          3H5M        T  21   4.117  -3.705  -0.646
  953    H6     T  21           H6         T  21   6.182  -3.030  -1.675
  954   1H5*    C  22          1H5*        C  22  10.406  -1.062  -6.341
  955   2H5*    C  22          2H5*        C  22  10.967   0.535  -6.885
  956    H4*    C  22           H4*        C  22   9.398  -0.403  -8.514
  957    H3*    C  22           H3*        C  22   8.628   2.048  -6.987
  958   1H2*    C  22          1H2*        C  22   6.456   1.557  -7.056
  959   2H2*    C  22          2H2*        C  22   6.475   1.581  -8.837
  960    H1*    C  22           H1*        C  22   6.964  -0.739  -8.995
  961   1H4     C  22           H41        C  22   2.151  -2.810  -4.977
  962   2H4     C  22           H42        C  22   1.466  -2.816  -6.582
  963    H5     C  22           H5         C  22   4.057  -1.267  -4.430
  964    H6     C  22           H6         C  22   6.102  -0.415  -5.407
  965   1H5*    C  23          1H5*        C  23   7.730   1.926 -11.517
  966   2H5*    C  23          2H5*        C  23   7.618   3.561 -12.214
  967    H4*    C  23           H4*        C  23   5.712   2.155 -12.863
  968    H3*    C  23           H3*        C  23   5.090   4.461 -10.991
  969   1H2*    C  23          1H2*        C  23   2.953   3.763 -10.854
  970   2H2*    C  23          2H2*        C  23   2.871   3.205 -12.549
  971    H1*    C  23           H1*        C  23   3.556   1.116 -12.127
  972   1H4     C  23           H41        C  23   0.796   0.406  -6.053
  973   2H4     C  23           H42        C  23  -0.336  -0.222  -7.242
  974    H5     C  23           H5         C  23   2.785   1.710  -6.772
  975    H6     C  23           H6         C  23   4.117   2.352  -8.694
  976   1H5*    C  24          1H5*        C  24   3.413   3.487 -14.936
  977   2H5*    C  24          2H5*        C  24   3.142   4.892 -15.986
  978    H4*    C  24           H4*        C  24   1.404   3.176 -16.311
  979    H3*    C  24           H3*        C  24   0.913   5.946 -15.656
  980   1H2*    C  24          1H2*        C  24  -0.226   5.550 -13.757
  981   2H2*    C  24          2H2*        C  24  -1.606   5.153 -14.818
  982    H1*    C  24           H1*        C  24  -1.162   2.815 -14.708
  983   1H4     C  24           H41        C  24  -0.450   2.872  -8.038
  984   2H4     C  24           H42        C  24  -1.920   1.984  -8.341
  985    H5     C  24           H5         C  24   0.835   3.911  -9.770
  986    H6     C  24           H6         C  24   0.994   4.363 -12.129
  987   1H5*    A  25          1H5*        A  25  -2.566   3.520 -17.039
  988   2H5*    A  25          2H5*        A  25  -3.484   4.277 -18.360
  989    H4*    A  25           H4*        A  25  -4.991   3.334 -16.658
  990    H3*    A  25           H3*        A  25  -5.043   6.097 -17.527
  991   1H2*    A  25          1H2*        A  25  -4.649   6.962 -15.437
  992   2H2*    A  25          2H2*        A  25  -6.382   6.671 -15.162
  993    H1*    A  25           H1*        A  25  -5.949   4.530 -14.141
  994    H8     A  25           H8         A  25  -2.835   6.892 -13.954
  995   1H6     A  25           H61        A  25  -2.004   6.527  -9.254
  996   2H6     A  25           H62        A  25  -2.834   5.802  -7.881
  997    H2     A  25           H2         A  25  -6.517   3.924  -9.629
  998   1H5*    T  26          1H5*        T  26  -8.528   4.155 -15.442
  999   2H5*    T  26          2H5*        T  26 -10.149   4.720 -15.900
 1000    H4*    T  26           H4*        T  26  -9.820   4.556 -13.441
 1001    H3*    T  26           H3*        T  26 -10.399   7.224 -14.717
 1002   1H2*    T  26          1H2*        T  26  -9.457   8.330 -12.996
 1003   2H2*    T  26          2H2*        T  26 -10.494   7.473 -11.824
 1004    H1*    T  26           H1*        T  26  -9.010   5.725 -11.502
 1005    H3     T  26           H3         T  26  -6.080   7.767  -8.708
 1006   1H5M    T  26          1H5M        T  26  -4.895  10.482 -12.662
 1007   2H5M    T  26          2H5M        T  26  -3.626   9.263 -12.420
 1008   3H5M    T  26          3H5M        T  26  -4.747   9.114 -13.787
 1009    H6     T  26           H6         T  26  -6.895   8.123 -13.419
 1010   1H5*    C  27          1H5*        C  27 -12.428   5.526 -11.080
 1011   2H5*    C  27          2H5*        C  27 -14.143   5.956 -10.903
 1012    H4*    C  27           H4*        C  27 -12.910   6.087  -8.756
 1013    H3*    C  27           H3*        C  27 -14.480   8.249  -9.878
 1014   1H2*    C  27          1H2*        C  27 -12.709   9.731  -9.916
 1015   2H2*    C  27          2H2*        C  27 -13.059   9.936  -8.184
 1016    H1*    C  27           H1*        C  27 -11.507   8.180  -7.577
 1017   1H4     C  27           H41        C  27  -6.524  11.552 -10.594
 1018   2H4     C  27           H42        C  27  -6.096  11.362  -8.910
 1019    H5     C  27           H5         C  27  -8.612  10.632 -11.532
 1020    H6     C  27           H6         C  27 -10.681   9.530 -10.977
 1021   1H5*    C  28          1H5*        C  28 -13.603   8.642  -5.326
 1022   2H5*    C  28          2H5*        C  28 -14.972   9.409  -4.490
 1023    H4*    C  28           H4*        C  28 -12.890  10.548  -3.921
 1024    H3*    C  28           H3*        C  28 -14.750  12.120  -5.733
 1025   1H2*    C  28          1H2*        C  28 -13.142  13.637  -6.113
 1026   2H2*    C  28          2H2*        C  28 -12.598  13.664  -4.407
 1027    H1*    C  28           H1*        C  28 -11.084  12.015  -4.650
 1028   1H4     C  28           H41        C  28  -8.816  13.744 -10.706
 1029   2H4     C  28           H42        C  28  -7.568  14.149  -9.552
 1030    H5     C  28           H5         C  28 -11.013  12.838 -10.037
 1031    H6     C  28           H6         C  28 -12.358  12.161  -8.126
 1032   1H5*    A  29          1H5*        A  29 -13.275  13.407  -1.635
 1033   2H5*    A  29          2H5*        A  29 -14.442  14.409  -0.750
 1034    H4*    A  29           H4*        A  29 -12.048  15.069  -0.455
 1035    H3*    A  29           H3*        A  29 -14.185  16.834  -0.752
 1036   1H2*    A  29          1H2*        A  29 -13.798  17.253  -3.034
 1037   2H2*    A  29          2H2*        A  29 -12.818  18.573  -2.358
 1038    H1*    A  29           H1*        A  29 -10.806  17.268  -2.448
 1039    H8     A  29           H8         A  29 -13.542  16.370  -5.088
 1040   1H6     A  29           H61        A  29  -8.974  16.553  -9.255
 1041   2H6     A  29           H62        A  29 -10.694  16.317  -8.963
 1042    H2     A  29           H2         A  29  -7.242  17.547  -5.237
 1043   1H5*    A  30          1H5*        A  30  -9.784  18.378   0.191
 1044   2H5*    A  30          2H5*        A  30  -9.854  19.785   1.270
 1045    H4*    A  30           H4*        A  30  -7.995  19.949  -0.347
 1046    H3*    A  30           H3*        A  30  -9.958  22.031   0.046
 1047   1H2*    A  30          1H2*        A  30 -10.762  21.873  -2.154
 1048   2H2*    A  30          2H2*        A  30  -9.370  22.949  -2.486
 1049    H1*    A  30           H1*        A  30  -7.938  21.030  -2.961
 1050    H8     A  30           H8         A  30 -11.691  20.163  -3.690
 1051   1H6     A  30           H61        A  30  -9.913  19.458  -9.539
 1052   2H6     A  30           H62        A  30 -11.246  19.453  -8.387
 1053    H2     A  30           H2         A  30  -6.349  20.828  -7.186
 1054    H3T    A  30           H3T        A  30  -8.146  23.306  -0.420
   
  No H/Q in entry =        1054
  Start of MODEL    9
    1    H    MET   1           H        MET   1   3.977 -19.136 -10.491
    2    HA   MET   1           HA       MET   1   4.654 -19.878 -12.621
    3   1HB   MET   1          2HB       MET   1   4.365 -22.709 -11.508
    4   2HB   MET   1          3HB       MET   1   4.848 -22.276 -13.145
    5   1HG   MET   1          2HG       MET   1   6.364 -21.668 -10.574
    6   2HG   MET   1          3HG       MET   1   6.792 -22.874 -11.781
    7   1HE   MET   1          2HE       MET   1   7.698 -22.304 -14.203
    8   2HE   MET   1          3HE       MET   1   6.349 -21.187 -14.550
    9   3HE   MET   1          1HE       MET   1   8.027 -20.649 -14.768
   10    H    LYS  11           H        LYS  11   2.244 -21.713 -10.739
   11    HA   LYS  11           HA       LYS  11   0.291 -21.912 -12.843
   12   1HB   LYS  11          2HB       LYS  11   0.434 -23.409 -10.854
   13   2HB   LYS  11          3HB       LYS  11   0.029 -22.025  -9.823
   14   1HG   LYS  11          2HG       LYS  11  -2.211 -21.869 -10.957
   15   2HG   LYS  11          3HG       LYS  11  -1.762 -23.248 -11.972
   16   1HD   LYS  11          2HD       LYS  11  -3.194 -23.969 -10.150
   17   2HD   LYS  11          3HD       LYS  11  -1.582 -24.672  -9.932
   18   1HE   LYS  11          2HE       LYS  11  -1.045 -23.036  -8.191
   19   2HE   LYS  11          3HE       LYS  11  -2.525 -22.116  -8.535
   20   1HZ   LYS  11          1HZ       LYS  11  -2.393 -24.844  -7.463
   21   2HZ   LYS  11          2HZ       LYS  11  -2.724 -23.469  -6.614
   22   3HZ   LYS  11          3HZ       LYS  11  -3.775 -23.995  -7.771
   23    H    ARG  12           H        ARG  12  -1.520 -20.573 -13.271
   24    HA   ARG  12           HA       ARG  12  -1.541 -17.907 -11.942
   25   1HB   ARG  12          2HB       ARG  12  -2.642 -18.754 -14.624
   26   2HB   ARG  12          3HB       ARG  12  -2.969 -17.228 -13.815
   27   1HG   ARG  12          2HG       ARG  12  -1.294 -16.726 -15.373
   28   2HG   ARG  12          3HG       ARG  12  -0.535 -16.681 -13.778
   29   1HD   ARG  12          2HD       ARG  12   0.899 -17.814 -15.454
   30   2HD   ARG  12          3HD       ARG  12   0.418 -18.879 -14.137
   31    HE   ARG  12           HE       ARG  12  -1.302 -18.892 -16.538
   32   1HH1  ARG  12          1HH1      ARG  12   1.440 -20.506 -14.932
   33   2HH1  ARG  12          2HH1      ARG  12   1.284 -21.954 -15.885
   34   1HH2  ARG  12          2HH2      ARG  12  -1.507 -20.794 -17.730
   35   2HH2  ARG  12          1HH2      ARG  12  -0.419 -22.131 -17.481
   36    H    TYR  13           H        TYR  13  -3.371 -17.263 -10.847
   37    HA   TYR  13           HA       TYR  13  -5.618 -19.164 -10.501
   38   1HB   TYR  13          2HB       TYR  13  -5.157 -16.318  -9.486
   39   2HB   TYR  13          3HB       TYR  13  -6.553 -17.335  -9.129
   40    HD1  TYR  13           HD2      TYR  13  -2.893 -16.921  -8.596
   41    HD2  TYR  13           HD1      TYR  13  -6.515 -18.901  -7.345
   42    HE1  TYR  13           HE2      TYR  13  -1.825 -17.523  -6.455
   43    HE2  TYR  13           HE1      TYR  13  -5.449 -19.475  -5.185
   44    HH   TYR  13           HH       TYR  13  -2.068 -18.874  -4.510
   45    H    ILE  14           H        ILE  14  -7.534 -18.869 -11.716
   46    HA   ILE  14           HA       ILE  14  -7.450 -16.773 -13.832
   47    HB   ILE  14           HB       ILE  14  -8.799 -19.489 -13.887
   48   1HG1  ILE  14          2HG1      ILE  14  -6.116 -18.454 -14.864
   49   2HG1  ILE  14          3HG1      ILE  14  -6.445 -19.880 -13.870
   50   1HG2  ILE  14          2HG2      ILE  14  -9.884 -17.753 -15.327
   51   2HG2  ILE  14          3HG2      ILE  14  -8.308 -17.432 -16.083
   52   3HG2  ILE  14          1HG2      ILE  14  -9.112 -19.005 -16.277
   53   1HD1  ILE  14          1HD1      ILE  14  -7.558 -20.915 -15.897
   54   2HD1  ILE  14          2HD1      ILE  14  -6.944 -19.522 -16.839
   55   3HD1  ILE  14          3HD1      ILE  14  -5.811 -20.619 -16.041
   56    H    CYS  15           H        CYS  15  -9.177 -15.529 -14.244
   57    HA   CYS  15           HA       CYS  15 -11.006 -14.938 -12.126
   58   1HB   CYS  15          2HB       CYS  15 -10.237 -13.207 -13.510
   59   2HB   CYS  15          3HB       CYS  15 -10.680 -14.061 -14.988
   60    H    SER  16           H        SER  16 -12.698 -16.159 -11.574
   61    HA   SER  16           HA       SER  16 -13.673 -18.379 -12.731
   62   1HB   SER  16          2HB       SER  16 -15.388 -16.438 -11.145
   63   2HB   SER  16          3HB       SER  16 -15.374 -18.210 -11.072
   64    HG   SER  16           HG       SER  16 -13.214 -18.026 -10.222
   65    H    PHE  17           H        PHE  17 -14.696 -15.085 -13.526
   66    HA   PHE  17           HA       PHE  17 -17.137 -15.833 -14.871
   67   1HB   PHE  17          2HB       PHE  17 -15.540 -13.262 -14.966
   68   2HB   PHE  17          3HB       PHE  17 -17.197 -13.474 -15.514
   69    HD1  PHE  17           HD1      PHE  17 -19.031 -13.982 -13.867
   70    HD2  PHE  17           HD2      PHE  17 -15.037 -12.970 -12.578
   71    HE1  PHE  17           HE1      PHE  17 -19.841 -13.702 -11.543
   72    HE2  PHE  17           HE2      PHE  17 -15.830 -12.833 -10.246
   73    HZ   PHE  17           HZ       PHE  17 -18.242 -13.160  -9.723
   74    H    ALA  18           H        ALA  18 -15.594 -17.526 -16.006
   75    HA   ALA  18           HA       ALA  18 -14.128 -18.037 -17.797
   76   1HB   ALA  18          2HB       ALA  18 -16.231 -19.222 -17.777
   77   2HB   ALA  18          3HB       ALA  18 -17.028 -17.934 -18.700
   78   3HB   ALA  18          1HB       ALA  18 -15.745 -18.908 -19.454
   79    H    ASP  19           H        ASP  19 -16.544 -16.055 -19.539
   80    HA   ASP  19           HA       ASP  19 -15.054 -15.459 -21.776
   81   1HB   ASP  19          2HB       ASP  19 -17.077 -13.648 -20.381
   82   2HB   ASP  19          3HB       ASP  19 -16.566 -13.526 -22.070
   83    H    CYS  20           H        CYS  20 -15.011 -13.744 -18.665
   84    HA   CYS  20           HA       CYS  20 -13.082 -11.692 -19.555
   85   1HB   CYS  20          2HB       CYS  20 -14.917 -11.195 -18.131
   86   2HB   CYS  20          3HB       CYS  20 -14.374 -12.406 -16.941
   87    H    GLY  21           H        GLY  21 -11.999 -13.529 -20.202
   88   1HA   GLY  21          2HA       GLY  21 -10.675 -15.510 -18.602
   89   2HA   GLY  21          3HA       GLY  21 -10.212 -15.062 -20.248
   90    H    ALA  22           H        ALA  22 -10.152 -13.358 -17.094
   91    HA   ALA  22           HA       ALA  22  -7.396 -12.377 -17.599
   92   1HB   ALA  22          3HB       ALA  22  -9.074 -10.822 -16.678
   93   2HB   ALA  22          1HB       ALA  22  -9.316 -11.891 -15.280
   94   3HB   ALA  22          2HB       ALA  22  -7.749 -11.096 -15.527
   95    H    ALA  23           H        ALA  23  -5.592 -13.035 -16.247
   96    HA   ALA  23           HA       ALA  23  -6.055 -15.038 -14.191
   97   1HB   ALA  23          2HB       ALA  23  -6.082 -16.394 -16.276
   98   2HB   ALA  23          3HB       ALA  23  -4.527 -15.686 -16.757
   99   3HB   ALA  23          1HB       ALA  23  -4.622 -16.732 -15.326
  100    H    TYR  24           H        TYR  24  -4.295 -15.118 -12.727
  101    HA   TYR  24           HA       TYR  24  -1.807 -13.697 -13.437
  102   1HB   TYR  24          2HB       TYR  24  -3.316 -12.802 -10.972
  103   2HB   TYR  24          3HB       TYR  24  -1.895 -12.094 -11.718
  104    HD1  TYR  24           HD2      TYR  24  -5.552 -12.502 -11.894
  105    HD2  TYR  24           HD1      TYR  24  -2.182 -10.488 -13.639
  106    HE1  TYR  24           HE2      TYR  24  -7.081 -10.838 -12.901
  107    HE2  TYR  24           HE1      TYR  24  -3.692  -8.763 -14.567
  108    HH   TYR  24           HH       TYR  24  -5.873  -7.983 -14.682
  109    H    ASN  25           H        ASN  25  -0.068 -14.269 -12.083
  110    HA   ASN  25           HA       ASN  25  -0.308 -16.776 -10.652
  111   1HB   ASN  25          2HB       ASN  25   1.694 -15.902 -11.956
  112   2HB   ASN  25          3HB       ASN  25   2.028 -14.848 -10.578
  113   1HD2  ASN  25          1HD2      ASN  25   2.516 -18.160  -8.645
  114   2HD2  ASN  25          2HD2      ASN  25   1.187 -17.035  -8.525
  115    H    LYS  26           H        LYS  26  -0.059 -13.354  -9.675
  116    HA   LYS  26           HA       LYS  26   0.181 -14.071  -6.879
  117   1HB   LYS  26          2HB       LYS  26  -0.103 -11.457  -8.363
  118   2HB   LYS  26          3HB       LYS  26  -0.159 -11.531  -6.601
  119   1HG   LYS  26          2HG       LYS  26   2.148 -12.685  -8.238
  120   2HG   LYS  26          3HG       LYS  26   2.113 -11.046  -7.572
  121   1HD   LYS  26          2HD       LYS  26   1.793 -11.998  -5.274
  122   2HD   LYS  26          3HD       LYS  26   2.015 -13.631  -5.905
  123   1HE   LYS  26          2HE       LYS  26   4.079 -11.444  -6.273
  124   2HE   LYS  26          3HE       LYS  26   4.014 -12.518  -4.873
  125   1HZ   LYS  26          3HZ       LYS  26   4.257 -14.394  -6.295
  126   2HZ   LYS  26          1HZ       LYS  26   4.305 -13.434  -7.640
  127   3HZ   LYS  26          2HZ       LYS  26   5.501 -13.346  -6.506
  128    H    ASN  27           H        ASN  27  -1.344 -14.908  -5.811
  129    HA   ASN  27           HA       ASN  27  -4.041 -15.147  -6.143
  130   1HB   ASN  27          2HB       ASN  27  -2.603 -16.168  -4.343
  131   2HB   ASN  27          3HB       ASN  27  -2.560 -14.613  -3.525
  132   1HD2  ASN  27          1HD2      ASN  27  -5.608 -17.074  -2.729
  133   2HD2  ASN  27          2HD2      ASN  27  -4.137 -17.594  -3.538
  134    H    TRP  28           H        TRP  28  -2.517 -12.524  -4.197
  135    HA   TRP  28           HA       TRP  28  -4.811 -11.059  -3.588
  136   1HB   TRP  28          2HB       TRP  28  -3.410  -9.272  -3.046
  137   2HB   TRP  28          3HB       TRP  28  -2.636 -10.760  -2.538
  138    HD1  TRP  28           HD1      TRP  28  -0.226 -11.179  -3.371
  139    HE1  TRP  28           HE1      TRP  28   1.497  -9.840  -4.709
  140    HE3  TRP  28           HE3      TRP  28  -3.322  -7.571  -5.293
  141    HZ2  TRP  28           HZ2      TRP  28   1.513  -7.539  -6.474
  142    HZ3  TRP  28           HZ3      TRP  28  -2.438  -5.874  -6.839
  143    HH2  TRP  28           HH2      TRP  28  -0.024  -5.782  -7.367
  144    H    LYS  29           H        LYS  29  -2.798 -10.871  -6.571
  145    HA   LYS  29           HA       LYS  29  -4.085  -8.510  -7.581
  146   1HB   LYS  29          2HB       LYS  29  -1.847  -9.335  -8.240
  147   2HB   LYS  29          3HB       LYS  29  -2.593 -10.705  -9.085
  148   1HG   LYS  29          2HG       LYS  29  -3.821  -9.163 -10.557
  149   2HG   LYS  29          3HG       LYS  29  -3.130  -7.772  -9.720
  150   1HD   LYS  29          2HD       LYS  29  -1.587  -9.921 -11.262
  151   2HD   LYS  29          3HD       LYS  29  -1.963  -8.312 -11.863
  152   1HE   LYS  29          2HE       LYS  29  -0.063  -9.079  -9.597
  153   2HE   LYS  29          3HE       LYS  29   0.332  -8.338 -11.147
  154   1HZ   LYS  29          1HZ       LYS  29  -0.896  -6.398 -10.446
  155   2HZ   LYS  29          2HZ       LYS  29  -1.231  -7.099  -8.994
  156   3HZ   LYS  29          3HZ       LYS  29   0.326  -6.737  -9.395
  157    H    LEU  30           H        LEU  30  -4.533 -12.035  -8.083
  158    HA   LEU  30           HA       LEU  30  -6.765 -11.672  -9.849
  159   1HB   LEU  30          2HB       LEU  30  -5.508 -13.649  -9.928
  160   2HB   LEU  30          3HB       LEU  30  -5.841 -14.066  -8.244
  161    HG   LEU  30           HG       LEU  30  -6.964 -15.318 -10.175
  162   1HD1  LEU  30          2HD1      LEU  30  -7.603 -15.562  -7.872
  163   2HD1  LEU  30          3HD1      LEU  30  -8.778 -14.231  -8.020
  164   3HD1  LEU  30          1HD1      LEU  30  -8.990 -15.725  -8.971
  165   1HD2  LEU  30          2HD2      LEU  30  -7.485 -13.464 -11.561
  166   2HD2  LEU  30          3HD2      LEU  30  -8.892 -14.486 -11.243
  167   3HD2  LEU  30          1HD2      LEU  30  -8.750 -12.913 -10.445
  168    H    GLN  31           H        GLN  31  -6.545 -11.870  -6.261
  169    HA   GLN  31           HA       GLN  31  -9.385 -11.949  -5.819
  170   1HB   GLN  31          2HB       GLN  31  -7.329 -10.540  -4.072
  171   2HB   GLN  31          3HB       GLN  31  -8.971 -10.983  -3.653
  172   1HG   GLN  31          2HG       GLN  31  -6.520 -12.673  -3.797
  173   2HG   GLN  31          3HG       GLN  31  -7.785 -12.662  -2.602
  174   1HE2  GLN  31          1HE2      GLN  31  -7.957 -15.270  -5.726
  175   2HE2  GLN  31          2HE2      GLN  31  -6.661 -14.077  -5.568
  176    H    ALA  32           H        ALA  32  -7.081  -9.226  -6.106
  177    HA   ALA  32           HA       ALA  32  -8.961  -7.122  -5.864
  178   1HB   ALA  32          3HB       ALA  32  -6.444  -6.900  -5.763
  179   2HB   ALA  32          1HB       ALA  32  -6.391  -7.185  -7.514
  180   3HB   ALA  32          2HB       ALA  32  -7.206  -5.741  -6.881
  181    H    HIS  33           H        HIS  33  -7.943  -8.957  -8.758
  182    HA   HIS  33           HA       HIS  33  -9.585  -7.487 -10.565
  183   1HB   HIS  33          2HB       HIS  33  -7.789  -9.027 -11.239
  184   2HB   HIS  33          3HB       HIS  33  -8.757 -10.401 -10.698
  185    HD1  HIS  33           HD1      HIS  33  -8.197  -8.287 -13.701
  186    HD2  HIS  33           HD2      HIS  33 -11.258 -10.677 -12.049
  187    HE1  HIS  33           HE1      HIS  33  -9.962  -8.603 -15.524
  188    H    LEU  34           H        LEU  34 -10.274 -10.644  -8.906
  189    HA   LEU  34           HA       LEU  34 -12.921 -10.939  -9.747
  190   1HB   LEU  34          2HB       LEU  34 -11.681 -11.752  -7.107
  191   2HB   LEU  34          3HB       LEU  34 -13.288 -12.231  -7.629
  192    HG   LEU  34           HG       LEU  34 -10.746 -12.948  -9.112
  193   1HD1  LEU  34          1HD1      LEU  34 -10.972 -14.068  -6.909
  194   2HD1  LEU  34          2HD1      LEU  34 -12.616 -14.585  -7.336
  195   3HD1  LEU  34          3HD1      LEU  34 -11.227 -15.226  -8.231
  196   1HD2  LEU  34          3HD2      LEU  34 -13.663 -13.676  -9.581
  197   2HD2  LEU  34          1HD2      LEU  34 -12.541 -12.883 -10.723
  198   3HD2  LEU  34          2HD2      LEU  34 -12.302 -14.574 -10.265
  199    H    SER  35           H        SER  35 -11.697  -8.963  -7.040
  200    HA   SER  35           HA       SER  35 -14.143  -8.467  -5.787
  201   1HB   SER  35          2HB       SER  35 -13.166  -6.747  -4.653
  202   2HB   SER  35          3HB       SER  35 -11.801  -7.823  -5.026
  203    HG   SER  35           HG       SER  35 -11.396  -6.369  -6.839
  204    H    LYS  36           H        LYS  36 -12.933  -7.121  -8.838
  205    HA   LYS  36           HA       LYS  36 -14.635  -4.863  -9.059
  206   1HB   LYS  36          2HB       LYS  36 -13.663  -6.764 -11.236
  207   2HB   LYS  36          3HB       LYS  36 -14.333  -5.150 -11.487
  208   1HG   LYS  36          2HG       LYS  36 -12.451  -4.101 -10.358
  209   2HG   LYS  36          3HG       LYS  36 -11.819  -5.657  -9.831
  210   1HD   LYS  36          2HD       LYS  36 -10.518  -4.880 -11.725
  211   2HD   LYS  36          3HD       LYS  36 -11.373  -6.376 -12.106
  212   1HE   LYS  36          2HE       LYS  36 -11.423  -4.765 -13.983
  213   2HE   LYS  36          3HE       LYS  36 -13.047  -5.165 -13.419
  214   1HZ   LYS  36          1HZ       LYS  36 -11.534  -2.745 -12.701
  215   2HZ   LYS  36          2HZ       LYS  36 -12.767  -2.824 -13.793
  216   3HZ   LYS  36          3HZ       LYS  36 -13.063  -3.110 -12.199
  217    H    HIS  37           H        HIS  37 -15.190  -8.322  -9.616
  218    HA   HIS  37           HA       HIS  37 -17.923  -7.879 -10.672
  219   1HB   HIS  37          2HB       HIS  37 -16.405 -10.441 -10.143
  220   2HB   HIS  37          3HB       HIS  37 -17.904 -10.265 -11.048
  221    HD1  HIS  37           HD1      HIS  37 -17.608  -9.990 -13.594
  222    HD2  HIS  37           HD2      HIS  37 -14.109  -9.752 -11.304
  223    HE1  HIS  37           HE1      HIS  37 -15.672 -10.442 -15.177
  224    H    THR  38           H        THR  38 -16.292  -9.652  -8.055
  225    HA   THR  38           HA       THR  38 -18.737 -10.542  -6.810
  226    HB   THR  38           HB       THR  38 -17.222 -11.571  -5.198
  227    HG1  THR  38          1HG       THR  38 -15.129 -10.261  -6.596
  228   1HG2  THR  38          3HG2      THR  38 -17.472 -12.731  -7.363
  229   2HG2  THR  38          1HG2      THR  38 -16.068 -11.849  -8.010
  230   3HG2  THR  38          2HG2      THR  38 -15.859 -12.969  -6.659
  231    H    GLY  39           H        GLY  39 -16.529  -7.815  -6.165
  232   1HA   GLY  39          2HA       GLY  39 -16.737  -6.108  -4.646
  233   2HA   GLY  39          3HA       GLY  39 -18.264  -6.782  -4.063
  234    H    GLU  40           H        GLU  40 -15.820  -9.234  -4.093
  235    HA   GLU  40           HA       GLU  40 -15.698  -9.208  -1.168
  236   1HB   GLU  40          2HB       GLU  40 -14.451 -10.986  -3.302
  237   2HB   GLU  40          3HB       GLU  40 -14.239 -11.226  -1.561
  238   1HG   GLU  40          2HG       GLU  40 -16.650 -11.504  -1.238
  239   2HG   GLU  40          3HG       GLU  40 -16.958 -11.172  -2.945
  240    H    LYS  41           H        LYS  41 -14.120  -8.240   0.033
  241    HA   LYS  41           HA       LYS  41 -11.532  -7.477  -1.263
  242   1HB   LYS  41          2HB       LYS  41 -13.027  -5.722   0.690
  243   2HB   LYS  41          3HB       LYS  41 -11.593  -5.356  -0.276
  244   1HG   LYS  41          2HG       LYS  41 -13.145  -5.907  -2.339
  245   2HG   LYS  41          3HG       LYS  41 -14.453  -5.746  -1.157
  246   1HD   LYS  41          2HD       LYS  41 -14.373  -3.605  -1.999
  247   2HD   LYS  41          3HD       LYS  41 -13.366  -3.496  -0.552
  248   1HE   LYS  41          2HE       LYS  41 -12.281  -2.314  -2.374
  249   2HE   LYS  41          3HE       LYS  41 -11.319  -3.746  -2.024
  250   1HZ   LYS  41          2HZ       LYS  41 -13.288  -3.496  -4.200
  251   2HZ   LYS  41          3HZ       LYS  41 -11.655  -3.401  -4.374
  252   3HZ   LYS  41          1HZ       LYS  41 -12.344  -4.816  -3.917
  253    HA   PRO  42           HA       PRO  42 -10.891 -10.540   2.093
  254   1HB   PRO  42          2HB       PRO  42  -8.233 -10.559   0.664
  255   2HB   PRO  42          3HB       PRO  42  -9.137 -11.933   1.353
  256   1HG   PRO  42          2HG       PRO  42  -9.224 -11.391  -1.309
  257   2HG   PRO  42          3HG       PRO  42 -10.724 -11.861  -0.442
  258   1HD   PRO  42          2HD       PRO  42  -9.793  -9.136  -1.301
  259   2HD   PRO  42          3HD       PRO  42 -11.423  -9.855  -1.337
  260    H    PHE  43           H        PHE  43  -8.963  -7.605   1.548
  261    HA   PHE  43           HA       PHE  43  -7.566  -8.012   4.171
  262   1HB   PHE  43          2HB       PHE  43  -6.816  -6.354   1.759
  263   2HB   PHE  43          3HB       PHE  43  -6.019  -6.308   3.314
  264    HD1  PHE  43           HD2      PHE  43  -6.772  -8.572   0.397
  265    HD2  PHE  43           HD1      PHE  43  -4.456  -8.011   4.000
  266    HE1  PHE  43           HE2      PHE  43  -5.324 -10.449  -0.245
  267    HE2  PHE  43           HE1      PHE  43  -3.052  -9.953   3.379
  268    HZ   PHE  43           HZ       PHE  43  -3.454 -11.154   1.241
  269    HA   PRO  44           HA       PRO  44 -10.633  -4.608   4.825
  270   1HB   PRO  44          2HB       PRO  44 -11.644  -5.328   7.234
  271   2HB   PRO  44          3HB       PRO  44 -12.187  -6.097   5.715
  272   1HG   PRO  44          2HG       PRO  44 -10.070  -7.137   7.633
  273   2HG   PRO  44          3HG       PRO  44 -11.483  -8.022   6.986
  274   1HD   PRO  44          2HD       PRO  44  -9.029  -8.235   5.847
  275   2HD   PRO  44          3HD       PRO  44 -10.514  -8.171   4.845
  276    H    CYS  45           H        CYS  45 -10.240  -2.761   6.023
  277    HA   CYS  45           HA       CYS  45  -7.699  -2.587   7.560
  278   1HB   CYS  45          2HB       CYS  45  -8.260  -0.942   5.771
  279   2HB   CYS  45          3HB       CYS  45  -9.753  -0.572   6.626
  280    H    LYS  46           H        LYS  46  -8.385  -3.821   9.434
  281    HA   LYS  46           HA       LYS  46 -10.915  -3.277  10.735
  282   1HB   LYS  46          2HB       LYS  46  -8.493  -4.825  11.671
  283   2HB   LYS  46          3HB       LYS  46 -10.063  -4.844  12.465
  284   1HG   LYS  46          2HG       LYS  46  -9.457  -5.812   9.636
  285   2HG   LYS  46          3HG       LYS  46  -9.760  -6.819  11.049
  286   1HD   LYS  46          2HD       LYS  46 -11.780  -5.003   9.646
  287   2HD   LYS  46          3HD       LYS  46 -11.724  -6.764   9.635
  288   1HE   LYS  46          2HE       LYS  46 -12.098  -6.772  12.118
  289   2HE   LYS  46          3HE       LYS  46 -12.295  -5.009  12.070
  290   1HZ   LYS  46          1HZ       LYS  46 -13.954  -6.921  10.595
  291   2HZ   LYS  46          2HZ       LYS  46 -14.371  -6.162  11.996
  292   3HZ   LYS  46          3HZ       LYS  46 -14.149  -5.281  10.627
  293    H    GLU  47           H        GLU  47  -9.843  -0.832  10.506
  294    HA   GLU  47           HA       GLU  47  -8.853   0.033  13.170
  295   1HB   GLU  47          2HB       GLU  47  -9.043   1.248  10.394
  296   2HB   GLU  47          3HB       GLU  47  -8.877   2.274  11.821
  297   1HG   GLU  47          2HG       GLU  47  -6.702   1.682  10.641
  298   2HG   GLU  47          3HG       GLU  47  -6.760   1.445  12.390
  299    H    GLU  48           H        GLU  48 -10.211   1.205  14.513
  300    HA   GLU  48           HA       GLU  48 -13.005   0.874  14.308
  301   1HB   GLU  48          2HB       GLU  48 -11.410   2.966  15.858
  302   2HB   GLU  48          3HB       GLU  48 -13.122   2.592  16.104
  303   1HG   GLU  48          2HG       GLU  48 -12.535   0.239  16.673
  304   2HG   GLU  48          3HG       GLU  48 -10.817   0.623  16.501
  305    H    GLY  49           H        GLY  49 -14.559   1.963  13.175
  306   1HA   GLY  49          2HA       GLY  49 -15.619   3.644  12.010
  307   2HA   GLY  49          3HA       GLY  49 -14.290   4.753  12.372
  308    H    CYS  50           H        CYS  50 -12.105   3.676  11.264
  309    HA   CYS  50           HA       CYS  50 -12.519   4.028   8.402
  310   1HB   CYS  50          2HB       CYS  50 -10.675   5.040   9.623
  311   2HB   CYS  50          3HB       CYS  50 -10.068   3.459  10.106
  312    H    GLU  51           H        GLU  51 -14.018   1.876   8.902
  313    HA   GLU  51           HA       GLU  51 -12.536  -0.604   8.563
  314   1HB   GLU  51          2HB       GLU  51 -14.629  -0.353   9.913
  315   2HB   GLU  51          3HB       GLU  51 -15.527  -0.211   8.386
  316   1HG   GLU  51          2HG       GLU  51 -14.731  -2.441   7.702
  317   2HG   GLU  51          3HG       GLU  51 -13.651  -2.513   9.106
  318    H    LYS  52           H        LYS  52 -11.441   0.472   6.675
  319    HA   LYS  52           HA       LYS  52 -12.868   0.545   4.127
  320   1HB   LYS  52          2HB       LYS  52  -9.875   0.256   4.549
  321   2HB   LYS  52          3HB       LYS  52 -10.685   0.842   3.108
  322   1HG   LYS  52          2HG       LYS  52 -10.690   2.259   5.819
  323   2HG   LYS  52          3HG       LYS  52  -9.592   2.601   4.495
  324   1HD   LYS  52          2HD       LYS  52 -11.449   3.255   3.031
  325   2HD   LYS  52          3HD       LYS  52 -12.631   2.852   4.297
  326   1HE   LYS  52          2HE       LYS  52 -11.757   4.579   5.768
  327   2HE   LYS  52          3HE       LYS  52 -10.427   4.929   4.652
  328   1HZ   LYS  52          2HZ       LYS  52 -13.275   5.313   4.061
  329   2HZ   LYS  52          1HZ       LYS  52 -12.200   6.499   4.455
  330   3HZ   LYS  52          3HZ       LYS  52 -12.016   5.659   3.051
  331    H    GLY  53           H        GLY  53 -12.216  -0.906   2.282
  332   1HA   GLY  53          2HA       GLY  53 -11.746  -3.755   3.099
  333   2HA   GLY  53          3HA       GLY  53 -12.971  -3.247   1.935
  334    H    PHE  54           H        PHE  54  -9.602  -3.995   2.365
  335    HA   PHE  54           HA       PHE  54  -9.003  -3.017  -0.398
  336   1HB   PHE  54          2HB       PHE  54  -7.223  -3.482   1.990
  337   2HB   PHE  54          3HB       PHE  54  -6.616  -3.394   0.353
  338    HD1  PHE  54           HD2      PHE  54  -7.083  -1.343  -1.077
  339    HD2  PHE  54           HD1      PHE  54  -8.034  -1.430   3.119
  340    HE1  PHE  54           HE2      PHE  54  -7.066   1.122  -1.034
  341    HE2  PHE  54           HE1      PHE  54  -8.107   1.048   3.141
  342    HZ   PHE  54           HZ       PHE  54  -7.658   2.329   1.061
  343    H    THR  55           H        THR  55  -7.829  -4.446  -1.805
  344    HA   THR  55           HA       THR  55  -8.537  -7.297  -1.414
  345    HB   THR  55           HB       THR  55  -8.020  -7.206  -3.922
  346    HG1  THR  55          1HG       THR  55  -8.524  -4.912  -4.630
  347   1HG2  THR  55          1HG2      THR  55 -10.337  -5.763  -2.566
  348   2HG2  THR  55          2HG2      THR  55 -10.295  -6.064  -4.301
  349   3HG2  THR  55          3HG2      THR  55 -10.272  -7.433  -3.179
  350    H    SER  56           H        SER  56  -5.787  -5.402  -0.843
  351    HA   SER  56           HA       SER  56  -4.210  -7.840  -0.904
  352   1HB   SER  56          2HB       SER  56  -2.531  -7.195  -2.410
  353   2HB   SER  56          3HB       SER  56  -4.026  -6.812  -3.238
  354    HG   SER  56           HG       SER  56  -3.750  -4.675  -2.692
  355    H    LEU  57           H        LEU  57  -2.414  -7.737   0.376
  356    HA   LEU  57           HA       LEU  57  -2.479  -5.982   2.598
  357   1HB   LEU  57          2HB       LEU  57  -1.451  -8.217   2.660
  358   2HB   LEU  57          3HB       LEU  57  -0.227  -7.720   1.487
  359    HG   LEU  57           HG       LEU  57   0.754  -6.178   3.107
  360   1HD1  LEU  57          1HD1      LEU  57  -1.502  -7.073   4.963
  361   2HD1  LEU  57          2HD1      LEU  57  -0.052  -6.193   5.491
  362   3HD1  LEU  57          3HD1      LEU  57  -1.190  -5.418   4.389
  363   1HD2  LEU  57          3HD2      LEU  57   1.400  -8.592   3.105
  364   2HD2  LEU  57          1HD2      LEU  57   1.595  -7.828   4.696
  365   3HD2  LEU  57          2HD2      LEU  57   0.205  -8.887   4.384
  366    H    HIS  58           H        HIS  58  -0.734  -5.894  -0.523
  367    HA   HIS  58           HA       HIS  58   1.002  -3.767   0.174
  368   1HB   HIS  58          2HB       HIS  58   1.824  -3.918  -1.869
  369   2HB   HIS  58          3HB       HIS  58   0.928  -5.421  -1.941
  370    HD1  HIS  58           HD1      HIS  58  -0.518  -5.542  -4.163
  371    HD2  HIS  58           HD2      HIS  58   0.396  -1.653  -2.841
  372    HE1  HIS  58           HE1      HIS  58  -1.445  -3.919  -5.903
  373    H    HIS  59           H        HIS  59  -2.301  -3.706  -1.355
  374    HA   HIS  59           HA       HIS  59  -2.425  -0.870  -1.617
  375   1HB   HIS  59          2HB       HIS  59  -4.763  -2.587  -0.762
  376   2HB   HIS  59          3HB       HIS  59  -4.792  -0.973  -1.480
  377    HD1  HIS  59           HD1      HIS  59  -2.636  -2.295  -3.913
  378    HD2  HIS  59           HD2      HIS  59  -6.537  -3.243  -2.610
  379    HE1  HIS  59           HE1      HIS  59  -3.745  -3.671  -5.784
  380    HE2  HIS  59           HE2      HIS  59  -6.116  -4.248  -4.962
  381    H    LEU  60           H        LEU  60  -3.365  -3.064   1.058
  382    HA   LEU  60           HA       LEU  60  -4.290  -1.125   2.836
  383   1HB   LEU  60          2HB       LEU  60  -4.436  -3.699   2.950
  384   2HB   LEU  60          3HB       LEU  60  -2.821  -3.650   3.663
  385    HG   LEU  60           HG       LEU  60  -3.766  -2.151   5.486
  386   1HD1  LEU  60          1HD1      LEU  60  -6.410  -2.952   4.162
  387   2HD1  LEU  60          2HD1      LEU  60  -6.249  -2.259   5.787
  388   3HD1  LEU  60          3HD1      LEU  60  -5.804  -1.295   4.383
  389   1HD2  LEU  60          1HD2      LEU  60  -3.423  -4.583   5.795
  390   2HD2  LEU  60          2HD2      LEU  60  -4.858  -4.022   6.669
  391   3HD2  LEU  60          3HD2      LEU  60  -5.045  -4.898   5.137
  392    H    THR  61           H        THR  61  -0.973  -2.273   2.269
  393    HA   THR  61           HA       THR  61   0.295  -0.896   4.401
  394    HB   THR  61           HB       THR  61   1.463  -1.611   1.690
  395    HG1  THR  61          1HG       THR  61   0.539  -3.375   2.908
  396   1HG2  THR  61          1HG2      THR  61   2.783  -1.091   4.385
  397   2HG2  THR  61          2HG2      THR  61   3.600  -1.688   2.929
  398   3HG2  THR  61          3HG2      THR  61   2.915  -0.054   2.946
  399    H    ARG  62           H        ARG  62  -0.194   0.150   0.922
  400    HA   ARG  62           HA       ARG  62   0.941   2.720   1.490
  401   1HB   ARG  62          2HB       ARG  62   0.054   3.578  -0.524
  402   2HB   ARG  62          3HB       ARG  62   0.864   2.031  -0.788
  403   1HG   ARG  62          2HG       ARG  62  -1.173   0.904  -1.166
  404   2HG   ARG  62          3HG       ARG  62  -2.168   2.223  -0.511
  405   1HD   ARG  62          2HD       ARG  62  -1.650   3.693  -2.302
  406   2HD   ARG  62          3HD       ARG  62  -0.480   2.584  -3.007
  407    HE   ARG  62           HE       ARG  62  -3.397   2.512  -3.203
  408   1HH1  ARG  62          1HH2      ARG  62  -0.464   0.572  -3.424
  409   2HH1  ARG  62          2HH2      ARG  62  -1.132  -0.566  -4.577
  410   1HH2  ARG  62          1HH1      ARG  62  -4.331   0.986  -4.517
  411   2HH2  ARG  62          2HH1      ARG  62  -3.425  -0.311  -5.258
  412    H    HIS  63           H        HIS  63  -2.423   1.521   1.693
  413    HA   HIS  63           HA       HIS  63  -3.693   3.994   2.231
  414   1HB   HIS  63          2HB       HIS  63  -4.928   1.936   1.790
  415   2HB   HIS  63          3HB       HIS  63  -4.292   1.187   3.255
  416    HD1  HIS  63           HD1      HIS  63  -6.377   4.384   2.480
  417    HD2  HIS  63           HD2      HIS  63  -5.720   1.432   5.412
  418    HE1  HIS  63           HE1      HIS  63  -7.907   4.933   4.433
  419    H    SER  64           H        SER  64  -2.042   1.713   4.454
  420    HA   SER  64           HA       SER  64  -2.570   3.117   6.844
  421   1HB   SER  64          2HB       SER  64  -0.109   1.443   6.233
  422   2HB   SER  64          3HB       SER  64  -0.770   1.868   7.828
  423    HG   SER  64           HG       SER  64  -2.090   0.320   5.833
  424    H    LEU  65           H        LEU  65  -0.476   4.145   4.214
  425    HA   LEU  65           HA       LEU  65   1.367   5.717   5.740
  426   1HB   LEU  65          2HB       LEU  65   0.212   6.312   3.005
  427   2HB   LEU  65          3HB       LEU  65   1.624   7.071   3.727
  428    HG   LEU  65           HG       LEU  65   1.471   4.102   3.118
  429   1HD1  LEU  65          2HD1      LEU  65   2.743   6.400   1.614
  430   2HD1  LEU  65          3HD1      LEU  65   2.918   4.680   1.179
  431   3HD1  LEU  65          1HD1      LEU  65   1.333   5.474   1.064
  432   1HD2  LEU  65          2HD2      LEU  65   3.830   5.888   3.821
  433   2HD2  LEU  65          3HD2      LEU  65   3.132   4.627   4.871
  434   3HD2  LEU  65          1HD2      LEU  65   3.923   4.180   3.357
  435    H    THR  66           H        THR  66  -2.049   6.175   4.801
  436    HA   THR  66           HA       THR  66  -2.146   8.980   5.423
  437    HB   THR  66           HB       THR  66  -4.534   8.744   5.417
  438    HG1  THR  66          1HG       THR  66  -4.207   5.933   5.273
  439   1HG2  THR  66          1HG2      THR  66  -3.379   8.649   3.205
  440   2HG2  THR  66          2HG2      THR  66  -3.415   6.872   3.265
  441   3HG2  THR  66          3HG2      THR  66  -4.929   7.787   3.219
  442    H    HIS  67           H        HIS  67  -2.412   6.040   7.369
  443    HA   HIS  67           HA       HIS  67  -3.440   7.383   9.747
  444   1HB   HIS  67          2HB       HIS  67  -2.226   4.605   9.392
  445   2HB   HIS  67          3HB       HIS  67  -3.126   5.188  10.791
  446    HD1  HIS  67           HD1      HIS  67  -4.985   6.480   7.940
  447    HD2  HIS  67           HD2      HIS  67  -4.335   2.673   9.606
  448    HE1  HIS  67           HE1      HIS  67  -6.880   5.055   7.154
  449    H    THR  68           H        THR  68  -0.370   5.865   8.757
  450    HA   THR  68           HA       THR  68   1.069   6.653  11.132
  451    HB   THR  68           HB       THR  68   3.048   5.894   9.814
  452    HG1  THR  68          1HG       THR  68   1.139   5.248   7.809
  453   1HG2  THR  68          1HG2      THR  68   1.711   4.253  11.085
  454   2HG2  THR  68          2HG2      THR  68   0.645   4.010   9.686
  455   3HG2  THR  68          3HG2      THR  68   2.353   3.548   9.588
  456    H    GLY  69           H        GLY  69   0.418   8.228   8.039
  457   1HA   GLY  69          2HA       GLY  69   0.673  10.422   7.465
  458   2HA   GLY  69          3HA       GLY  69   1.509  10.760   8.990
  459    H    GLU  70           H        GLU  70   2.621   8.053   7.058
  460    HA   GLU  70           HA       GLU  70   5.215   9.339   6.709
  461   1HB   GLU  70          2HB       GLU  70   4.151   6.589   6.027
  462   2HB   GLU  70          3HB       GLU  70   5.837   7.047   5.801
  463   1HG   GLU  70          2HG       GLU  70   4.352   7.115   8.461
  464   2HG   GLU  70          3HG       GLU  70   5.415   5.810   7.926
  465    H    LYS  71           H        LYS  71   3.697  10.908   5.407
  466    HA   LYS  71           HA       LYS  71   3.367  10.413   2.545
  467   1HB   LYS  71          2HB       LYS  71   1.874  11.727   4.002
  468   2HB   LYS  71          3HB       LYS  71   3.192  12.842   4.365
  469   1HG   LYS  71          2HG       LYS  71   3.174  13.653   2.037
  470   2HG   LYS  71          3HG       LYS  71   1.910  12.472   1.628
  471   1HD   LYS  71          2HD       LYS  71   0.420  13.448   3.362
  472   2HD   LYS  71          3HD       LYS  71   1.666  14.626   3.796
  473   1HE   LYS  71          2HE       LYS  71   0.348  14.412   1.057
  474   2HE   LYS  71          3HE       LYS  71  -0.148  15.534   2.334
  475   1HZ   LYS  71          1HZ       LYS  71   2.053  16.494   2.259
  476   2HZ   LYS  71          2HZ       LYS  71   2.467  15.511   0.995
  477   3HZ   LYS  71          3HZ       LYS  71   1.269  16.607   0.809
  478    H    ASN  72           H        ASN  72   5.789   9.689   2.653
  479    HA   ASN  72           HA       ASN  72   7.705  11.972   2.630
  480   1HB   ASN  72          2HB       ASN  72   8.194   8.978   2.677
  481   2HB   ASN  72          3HB       ASN  72   9.436  10.221   2.810
  482   1HD2  ASN  72          1HD2      ASN  72   7.414   9.081   6.127
  483   2HD2  ASN  72          2HD2      ASN  72   7.029   8.423   4.542
  484    H    PHE  73           H        PHE  73   6.014  10.542   0.111
  485    HA   PHE  73           HA       PHE  73   8.349  10.058  -1.574
  486   1HB   PHE  73          2HB       PHE  73   5.417  10.245  -2.303
  487   2HB   PHE  73          3HB       PHE  73   6.736   9.773  -3.373
  488    HD1  PHE  73           HD2      PHE  73   8.321   7.879  -2.569
  489    HD2  PHE  73           HD1      PHE  73   4.520   8.643  -0.717
  490    HE1  PHE  73           HE2      PHE  73   8.502   5.760  -1.325
  491    HE2  PHE  73           HE1      PHE  73   4.623   6.447   0.405
  492    HZ   PHE  73           HZ       PHE  73   6.628   5.010   0.149
  493    H    THR  74           H        THR  74   9.454  11.851  -1.246
  494    HA   THR  74           HA       THR  74   8.612  14.521  -1.896
  495    HB   THR  74           HB       THR  74  11.365  13.366  -1.381
  496    HG1  THR  74          1HG       THR  74   9.850  12.932   0.304
  497   1HG2  THR  74          1HG2      THR  74  10.276  16.208  -1.141
  498   2HG2  THR  74          2HG2      THR  74  11.869  15.665  -0.575
  499   3HG2  THR  74          3HG2      THR  74  11.498  15.634  -2.304
  500    H    CYS  75           H        CYS  75   8.493  15.370  -3.903
  501    HA   CYS  75           HA       CYS  75   9.622  14.175  -6.287
  502   1HB   CYS  75          2HB       CYS  75   7.763  15.643  -6.552
  503   2HB   CYS  75          3HB       CYS  75   8.509  16.912  -5.567
  504    H    ASP  76           H        ASP  76  11.837  13.914  -6.324
  505    HA   ASP  76           HA       ASP  76  13.621  15.629  -4.837
  506   1HB   ASP  76          2HB       ASP  76  14.240  13.543  -6.955
  507   2HB   ASP  76          3HB       ASP  76  15.392  14.291  -5.836
  508    H    SER  77           H        SER  77  12.707  17.620  -5.802
  509    HA   SER  77           HA       SER  77  14.358  18.573  -8.086
  510   1HB   SER  77          2HB       SER  77  12.065  17.921  -8.895
  511   2HB   SER  77          3HB       SER  77  11.368  19.065  -7.729
  512    HG   SER  77           HG       SER  77  11.646  19.949  -9.844
  513    H    ASP  78           H        ASP  78  15.544  20.170  -7.148
  514    HA   ASP  78           HA       ASP  78  15.286  21.188  -4.612
  515   1HB   ASP  78          2HB       ASP  78  16.410  22.610  -7.063
  516   2HB   ASP  78          3HB       ASP  78  16.726  23.061  -5.382
  517    H    GLY  79           H        GLY  79  13.982  22.641  -3.584
  518   1HA   GLY  79          2HA       GLY  79  12.606  24.493  -3.291
  519   2HA   GLY  79          3HA       GLY  79  12.629  24.833  -5.029
  520    H    CYS  80           H        CYS  80  11.759  22.624  -6.228
  521    HA   CYS  80           HA       CYS  80   8.919  22.400  -5.515
  522   1HB   CYS  80          2HB       CYS  80   9.640  22.690  -7.801
  523   2HB   CYS  80          3HB       CYS  80  10.673  21.273  -7.727
  524    H    ASP  81           H        ASP  81  10.431  21.455  -3.390
  525    HA   ASP  81           HA       ASP  81  10.676  18.526  -3.564
  526   1HB   ASP  81          2HB       ASP  81  11.121  20.431  -1.258
  527   2HB   ASP  81          3HB       ASP  81  11.461  18.698  -1.254
  528    H    LEU  82           H        LEU  82   8.194  18.979  -4.254
  529    HA   LEU  82           HA       LEU  82   6.329  19.167  -2.036
  530   1HB   LEU  82          2HB       LEU  82   6.079  18.286  -4.924
  531   2HB   LEU  82          3HB       LEU  82   4.700  18.250  -3.809
  532    HG   LEU  82           HG       LEU  82   6.308  20.750  -4.483
  533   1HD1  LEU  82          3HD1      LEU  82   5.176  19.843  -6.472
  534   2HD1  LEU  82          1HD1      LEU  82   3.635  19.769  -5.585
  535   3HD1  LEU  82          2HD1      LEU  82   4.393  21.338  -5.934
  536   1HD2  LEU  82          2HD2      LEU  82   3.613  20.343  -3.084
  537   2HD2  LEU  82          3HD2      LEU  82   5.098  20.971  -2.333
  538   3HD2  LEU  82          1HD2      LEU  82   4.276  21.914  -3.576
  539    H    ARG  83           H        ARG  83   5.604  17.617  -0.718
  540    HA   ARG  83           HA       ARG  83   6.685  14.861  -0.946
  541   1HB   ARG  83          2HB       ARG  83   5.421  16.435   1.321
  542   2HB   ARG  83          3HB       ARG  83   5.980  14.763   1.439
  543   1HG   ARG  83          2HG       ARG  83   8.261  15.382   0.887
  544   2HG   ARG  83          3HG       ARG  83   7.804  17.070   0.642
  545   1HD   ARG  83          2HD       ARG  83   8.827  16.785   2.853
  546   2HD   ARG  83          3HD       ARG  83   7.143  17.308   2.954
  547    HE   ARG  83           HE       ARG  83   6.567  15.405   4.042
  548   1HH1  ARG  83          1HH2      ARG  83   9.604  14.661   2.362
  549   2HH1  ARG  83          2HH2      ARG  83   9.993  13.327   3.412
  550   1HH2  ARG  83          1HH1      ARG  83   7.017  13.616   5.311
  551   2HH2  ARG  83          2HH1      ARG  83   8.440  12.642   5.054
  552    H    PHE  84           H        PHE  84   5.394  13.287  -1.685
  553    HA   PHE  84           HA       PHE  84   2.447  13.753  -1.731
  554   1HB   PHE  84          2HB       PHE  84   4.190  12.063  -3.547
  555   2HB   PHE  84          3HB       PHE  84   2.443  12.195  -3.653
  556    HD1  PHE  84           HD2      PHE  84   5.640  14.096  -4.076
  557    HD2  PHE  84           HD1      PHE  84   1.382  14.052  -4.817
  558    HE1  PHE  84           HE2      PHE  84   5.847  16.127  -5.417
  559    HE2  PHE  84           HE1      PHE  84   1.637  16.065  -6.221
  560    HZ   PHE  84           HZ       PHE  84   3.813  17.246  -6.319
  561    H    THR  85           H        THR  85   1.064  11.865  -1.580
  562    HA   THR  85           HA       THR  85   1.653  10.245   0.716
  563    HB   THR  85           HB       THR  85  -0.621   9.250  -0.091
  564    HG1  THR  85          1HG       THR  85  -1.638  10.736  -1.578
  565   1HG2  THR  85          2HG2      THR  85  -0.368  10.993   1.694
  566   2HG2  THR  85          3HG2      THR  85  -0.485  12.249   0.440
  567   3HG2  THR  85          1HG2      THR  85  -1.851  11.153   0.749
  568    H    THR  86           H        THR  86   1.784   9.606  -2.816
  569    HA   THR  86           HA       THR  86   2.914   6.930  -2.143
  570    HB   THR  86           HB       THR  86   1.627   5.918  -3.946
  571    HG1  THR  86          1HG       THR  86  -0.085   8.111  -4.110
  572   1HG2  THR  86          2HG2      THR  86   0.681   5.840  -1.637
  573   2HG2  THR  86          3HG2      THR  86  -0.279   7.288  -1.997
  574   3HG2  THR  86          1HG2      THR  86  -0.559   5.795  -2.905
  575    H    LYS  87           H        LYS  87   4.219   6.032  -3.780
  576    HA   LYS  87           HA       LYS  87   5.970   7.806  -5.089
  577   1HB   LYS  87          2HB       LYS  87   5.285   4.901  -5.752
  578   2HB   LYS  87          3HB       LYS  87   6.656   5.809  -6.414
  579   1HG   LYS  87          2HG       LYS  87   7.601   6.094  -4.175
  580   2HG   LYS  87          3HG       LYS  87   6.242   5.186  -3.461
  581   1HD   LYS  87          2HD       LYS  87   6.877   3.254  -4.981
  582   2HD   LYS  87          3HD       LYS  87   8.272   4.219  -5.518
  583   1HE   LYS  87          2HE       LYS  87   8.956   2.577  -3.861
  584   2HE   LYS  87          3HE       LYS  87   9.165   4.205  -3.200
  585   1HZ   LYS  87          3HZ       LYS  87   6.922   2.374  -2.658
  586   2HZ   LYS  87          1HZ       LYS  87   8.172   2.698  -1.636
  587   3HZ   LYS  87          2HZ       LYS  87   7.093   3.883  -2.018
  588    H    ALA  88           H        ALA  88   3.060   6.045  -6.247
  589    HA   ALA  88           HA       ALA  88   3.367   6.876  -8.955
  590   1HB   ALA  88          3HB       ALA  88   2.118   4.958  -8.256
  591   2HB   ALA  88          1HB       ALA  88   0.831   5.987  -7.560
  592   3HB   ALA  88          2HB       ALA  88   1.172   6.026  -9.318
  593    H    ASN  89           H        ASN  89   1.580   8.403  -6.174
  594    HA   ASN  89           HA       ASN  89   0.481  10.521  -7.794
  595   1HB   ASN  89          2HB       ASN  89   1.196  10.388  -4.839
  596   2HB   ASN  89          3HB       ASN  89   0.476  11.813  -5.602
  597   1HD2  ASN  89          1HD2      ASN  89  -2.295   9.732  -4.147
  598   2HD2  ASN  89          2HD2      ASN  89  -0.817  10.394  -3.441
  599    H    MET  90           H        MET  90   3.577  10.206  -6.009
  600    HA   MET  90           HA       MET  90   4.682  12.732  -6.648
  601   1HB   MET  90          2HB       MET  90   5.679  11.201  -5.018
  602   2HB   MET  90          3HB       MET  90   6.000  10.018  -6.273
  603   1HG   MET  90          2HG       MET  90   7.565  11.684  -7.362
  604   2HG   MET  90          3HG       MET  90   7.304  12.719  -5.954
  605   1HE   MET  90          2HE       MET  90   8.809   9.339  -7.340
  606   2HE   MET  90          3HE       MET  90   9.538   8.637  -5.875
  607   3HE   MET  90          1HE       MET  90   7.788   8.663  -6.050
  608    H    LYS  91           H        LYS  91   4.844   9.642  -8.484
  609    HA   LYS  91           HA       LYS  91   6.327  10.689 -10.698
  610   1HB   LYS  91          2HB       LYS  91   4.413   8.352 -10.457
  611   2HB   LYS  91          3HB       LYS  91   5.319   8.709 -11.929
  612   1HG   LYS  91          2HG       LYS  91   6.554   8.008  -9.229
  613   2HG   LYS  91          3HG       LYS  91   6.376   6.951 -10.631
  614   1HD   LYS  91          2HD       LYS  91   7.774   8.725 -11.921
  615   2HD   LYS  91          3HD       LYS  91   8.158   9.400 -10.315
  616   1HE   LYS  91          2HE       LYS  91   9.011   7.171  -9.603
  617   2HE   LYS  91          3HE       LYS  91   8.657   6.535 -11.229
  618   1HZ   LYS  91          2HZ       LYS  91  10.206   8.115 -12.114
  619   2HZ   LYS  91          3HZ       LYS  91  10.540   8.703 -10.611
  620   3HZ   LYS  91          1HZ       LYS  91  10.936   7.150 -10.996
  621    H    LYS  92           H        LYS  92   2.755  10.394 -10.266
  622    HA   LYS  92           HA       LYS  92   2.075  11.428 -12.811
  623   1HB   LYS  92          2HB       LYS  92   0.635  11.585 -10.130
  624   2HB   LYS  92          3HB       LYS  92  -0.020  12.263 -11.625
  625   1HG   LYS  92          2HG       LYS  92   0.159  10.037 -12.721
  626   2HG   LYS  92          3HG       LYS  92   0.769   9.345 -11.210
  627   1HD   LYS  92          2HD       LYS  92  -1.518   8.769 -11.195
  628   2HD   LYS  92          3HD       LYS  92  -1.470  10.203 -10.167
  629   1HE   LYS  92          2HE       LYS  92  -3.305  10.529 -11.643
  630   2HE   LYS  92          3HE       LYS  92  -2.010  11.569 -12.267
  631   1HZ   LYS  92          2HZ       LYS  92  -2.663   8.904 -13.310
  632   2HZ   LYS  92          3HZ       LYS  92  -3.115  10.333 -13.993
  633   3HZ   LYS  92          1HZ       LYS  92  -1.523   9.929 -13.908
  634    H    HIS  93           H        HIS  93   2.690  13.197  -9.721
  635    HA   HIS  93           HA       HIS  93   2.382  15.813 -10.822
  636   1HB   HIS  93          2HB       HIS  93   2.536  15.688  -8.481
  637   2HB   HIS  93          3HB       HIS  93   3.992  14.699  -8.512
  638    HD1  HIS  93           HD1      HIS  93   3.010  18.406  -9.159
  639    HD2  HIS  93           HD2      HIS  93   6.346  15.868  -8.722
  640    HE1  HIS  93           HE1      HIS  93   5.071  19.891  -9.177
  641    H    PHE  94           H        PHE  94   5.359  13.843 -10.427
  642    HA   PHE  94           HA       PHE  94   7.164  15.616 -11.575
  643   1HB   PHE  94          2HB       PHE  94   7.517  13.327 -10.407
  644   2HB   PHE  94          3HB       PHE  94   7.336  12.610 -12.000
  645    HD1  PHE  94           HD2      PHE  94   8.983  13.428 -13.867
  646    HD2  PHE  94           HD1      PHE  94   9.564  14.226  -9.661
  647    HE1  PHE  94           HE2      PHE  94  11.349  14.014 -14.296
  648    HE2  PHE  94           HE1      PHE  94  11.935  14.789 -10.102
  649    HZ   PHE  94           HZ       PHE  94  12.826  14.705 -12.418
  650    H    ASN  95           H        ASN  95   5.095  13.224 -13.159
  651    HA   ASN  95           HA       ASN  95   6.044  13.592 -15.811
  652   1HB   ASN  95          2HB       ASN  95   3.559  12.418 -14.571
  653   2HB   ASN  95          3HB       ASN  95   3.583  12.730 -16.310
  654   1HD2  ASN  95          1HD2      ASN  95   5.697   9.594 -14.781
  655   2HD2  ASN  95          2HD2      ASN  95   4.884  10.748 -13.720
  656    H    ARG  96           H        ARG  96   3.047  14.782 -14.276
  657    HA   ARG  96           HA       ARG  96   2.150  16.523 -16.247
  658   1HB   ARG  96          2HB       ARG  96   1.935  16.546 -13.227
  659   2HB   ARG  96          3HB       ARG  96   1.080  17.727 -14.232
  660   1HG   ARG  96          2HG       ARG  96  -0.246  16.024 -15.263
  661   2HG   ARG  96          3HG       ARG  96   0.743  14.717 -14.582
  662   1HD   ARG  96          2HD       ARG  96   0.076  15.300 -12.316
  663   2HD   ARG  96          3HD       ARG  96  -0.839  16.711 -12.899
  664    HE   ARG  96           HE       ARG  96  -1.930  14.564 -14.259
  665   1HH1  ARG  96          1HH2      ARG  96  -1.503  15.415 -10.853
  666   2HH1  ARG  96          2HH2      ARG  96  -3.014  14.702 -10.326
  667   1HH2  ARG  96          1HH1      ARG  96  -3.914  13.617 -13.574
  668   2HH2  ARG  96          2HH1      ARG  96  -4.368  13.659 -11.888
  669    H    PHE  97           H        PHE  97   4.522  17.277 -13.662
  670    HA   PHE  97           HA       PHE  97   4.648  20.107 -14.558
  671   1HB   PHE  97          2HB       PHE  97   5.652  18.662 -12.098
  672   2HB   PHE  97          3HB       PHE  97   6.057  20.322 -12.488
  673    HD1  PHE  97           HD2      PHE  97   2.921  18.239 -12.263
  674    HD2  PHE  97           HD1      PHE  97   4.861  21.982 -11.380
  675    HE1  PHE  97           HE2      PHE  97   0.836  19.087 -11.300
  676    HE2  PHE  97           HE1      PHE  97   2.841  22.721 -10.156
  677    HZ   PHE  97           HZ       PHE  97   0.825  21.257 -10.075
  678    H    HIS  98           H        HIS  98   6.677  17.213 -14.892
  679    HA   HIS  98           HA       HIS  98   8.910  19.005 -15.772
  680   1HB   HIS  98          2HB       HIS  98   9.313  16.434 -14.238
  681   2HB   HIS  98          3HB       HIS  98  10.516  17.618 -14.733
  682    HD1  HIS  98           HD1      HIS  98   8.857  20.216 -13.671
  683    HD2  HIS  98           HD2      HIS  98   9.304  16.576 -11.649
  684    HE1  HIS  98           HE1      HIS  98   8.358  20.685 -11.219
  685    H    ASN  99           H        ASN  99   7.526  15.657 -16.000
  686    HA   ASN  99           HA       ASN  99   9.048  15.323 -18.495
  687   1HB   ASN  99          2HB       ASN  99   8.468  13.449 -16.799
  688   2HB   ASN  99          3HB       ASN  99   6.942  13.345 -17.704
  689   1HD2  ASN  99          1HD2      ASN  99   8.665  12.498 -20.837
  690   2HD2  ASN  99          2HD2      ASN  99   7.450  13.646 -20.261
  691    H    ILE 100           H        ILE 100   7.733  17.487 -18.853
  692    HA   ILE 100           HA       ILE 100   5.756  16.902 -21.005
  693    HB   ILE 100           HB       ILE 100   4.698  19.179 -20.353
  694   1HG1  ILE 100          2HG1      ILE 100   4.658  19.745 -18.012
  695   2HG1  ILE 100          3HG1      ILE 100   5.789  18.455 -17.597
  696   1HG2  ILE 100          3HG2      ILE 100   4.245  16.704 -18.668
  697   2HG2  ILE 100          1HG2      ILE 100   3.121  18.065 -18.841
  698   3HG2  ILE 100          2HG2      ILE 100   3.527  17.066 -20.246
  699   1HD1  ILE 100          3HD1      ILE 100   6.417  20.855 -19.383
  700   2HD1  ILE 100          1HD1      ILE 100   6.815  20.730 -17.657
  701   3HD1  ILE 100          2HD1      ILE 100   7.581  19.633 -18.812
  702    H    LYS 101           H        LYS 101   8.753  17.411 -20.820
  703    HA   LYS 101           HA       LYS 101   9.249  19.982 -22.036
  704   1HB   LYS 101          2HB       LYS 101  10.793  17.360 -22.167
  705   2HB   LYS 101          3HB       LYS 101  11.413  18.923 -22.697
  706   1HG   LYS 101          2HG       LYS 101  10.645  18.221 -19.817
  707   2HG   LYS 101          3HG       LYS 101  12.258  18.204 -20.505
  708   1HD   LYS 101          2HD       LYS 101  12.416  20.283 -19.652
  709   2HD   LYS 101          3HD       LYS 101  11.655  20.739 -21.171
  710   1HE   LYS 101          2HE       LYS 101  10.556  21.901 -19.365
  711   2HE   LYS 101          3HE       LYS 101   9.407  20.695 -19.952
  712   1HZ   LYS 101          2HZ       LYS 101  11.144  20.393 -17.600
  713   2HZ   LYS 101          3HZ       LYS 101   9.542  20.779 -17.571
  714   3HZ   LYS 101          1HZ       LYS 101  10.016  19.301 -18.114
  715   1H5*    T   1          1H5*        T   1  -5.782  22.023 -17.454
  716   2H5*    T   1          2H5*        T   1  -4.286  21.081 -17.666
  717    H4*    T   1           H4*        T   1  -4.679  22.117 -15.329
  718    H3*    T   1           H3*        T   1  -3.878  19.327 -15.925
  719   1H2*    T   1          1H2*        T   1  -5.301  18.448 -14.383
  720   2H2*    T   1          2H2*        T   1  -4.295  19.193 -13.116
  721    H1*    T   1           H1*        T   1  -5.603  21.199 -13.109
  722    H3     T   1           H3         T   1  -8.930  19.706 -10.342
  723   1H5M    T   1          1H5M        T   1 -10.679  18.260 -14.922
  724   2H5M    T   1          2H5M        T   1  -9.474  16.951 -14.904
  725   3H5M    T   1          3H5M        T   1 -10.745  17.001 -13.673
  726    H6     T   1           H6         T   1  -7.760  18.760 -14.906
  727    H5T    T   1           H5T        T   1  -6.734  19.976 -16.809
  728   1H5*    T   2          1H5*        T   2  -2.586  21.433 -12.091
  729   2H5*    T   2          2H5*        T   2  -0.915  21.068 -11.635
  730    H4*    T   2           H4*        T   2  -2.378  20.960  -9.652
  731    H3*    T   2           H3*        T   2  -1.193  18.396 -10.665
  732   1H2*    T   2          1H2*        T   2  -2.832  17.153  -9.850
  733   2H2*    T   2          2H2*        T   2  -2.613  17.825  -8.201
  734    H1*    T   2           H1*        T   2  -4.154  19.484  -8.526
  735    H3     T   2           H3         T   2  -8.136  17.274  -8.510
  736   1H5M    T   2          1H5M        T   2  -6.559  14.874 -12.384
  737   2H5M    T   2          2H5M        T   2  -7.398  16.237 -13.139
  738   3H5M    T   2          3H5M        T   2  -5.626  16.139 -13.214
  739    H6     T   2           H6         T   2  -4.469  17.394 -11.602
  740   1H5*    G   3          1H5*        G   3  -0.873  19.255  -6.029
  741   2H5*    G   3          2H5*        G   3   0.577  18.457  -5.389
  742    H4*    G   3           H4*        G   3  -1.476  18.177  -4.000
  743    H3*    G   3           H3*        G   3   0.387  16.266  -4.275
  744   1H2*    G   3          1H2*        G   3  -0.696  15.247  -6.259
  745   2H2*    G   3          2H2*        G   3  -1.267  14.178  -4.952
  746    H1*    G   3           H1*        G   3  -3.218  15.542  -4.569
  747    H8     G   3           H8         G   3  -1.938  14.933  -8.181
  748    H1     G   3           H1         G   3  -8.265  14.285  -7.253
  749   1H2     G   3           H21        G   3  -8.690  14.724  -5.009
  750   2H2     G   3           H22        G   3  -7.403  15.322  -3.991
  751   1H5*    G   4          1H5*        G   4  -2.782  16.279  -0.910
  752   2H5*    G   4          2H5*        G   4  -2.117  15.544   0.561
  753    H4*    G   4           H4*        G   4  -4.573  15.389   0.512
  754    H3*    G   4           H3*        G   4  -2.925  13.223   1.051
  755   1H2*    G   4          1H2*        G   4  -3.080  12.276  -1.127
  756   2H2*    G   4          2H2*        G   4  -4.443  11.414  -0.373
  757    H1*    G   4           H1*        G   4  -6.022  13.025  -1.170
  758    H8     G   4           H8         G   4  -2.808  13.224  -3.406
  759    H1     G   4           H1         G   4  -8.036  10.980  -6.384
  760   1H2     G   4           H21        G   4  -9.633  10.535  -4.773
  761   2H2     G   4           H22        G   4  -9.421  11.160  -3.149
  762   1H5*    A   5          1H5*        A   5  -7.424  11.961   0.960
  763   2H5*    A   5          2H5*        A   5  -7.776  10.828   2.283
  764    H4*    A   5           H4*        A   5  -8.741  10.018   0.190
  765    H3*    A   5           H3*        A   5  -6.843   8.438   1.721
  766   1H2*    A   5          1H2*        A   5  -5.350   8.337  -0.084
  767   2H2*    A   5          2H2*        A   5  -6.402   6.989  -0.603
  768    H1*    A   5           H1*        A   5  -7.839   8.529  -1.844
  769    H8     A   5           H8         A   5  -4.060   9.559  -1.755
  770   1H6     A   5           H61        A   5  -4.405   8.881  -7.925
  771   2H6     A   5           H62        A   5  -3.302   9.254  -6.605
  772    H2     A   5           H2         A   5  -8.296   7.714  -6.196
  773   1H5*    T   6          1H5*        T   6 -10.797   6.432  -0.331
  774   2H5*    T   6          2H5*        T   6 -11.129   4.979   0.640
  775    H4*    T   6           H4*        T   6 -11.785   4.703  -1.763
  776    H3*    T   6           H3*        T   6 -10.089   2.898  -0.271
  777   1H2*    T   6          1H2*        T   6  -8.290   3.048  -1.640
  778   2H2*    T   6          2H2*        T   6  -9.189   2.013  -2.765
  779    H1*    T   6           H1*        T   6 -10.071   3.848  -3.980
  780    H3     T   6           H3         T   6  -6.501   5.036  -6.628
  781   1H5M    T   6          1H5M        T   6  -4.262   6.547  -2.575
  782   2H5M    T   6          2H5M        T   6  -4.911   5.358  -1.415
  783   3H5M    T   6          3H5M        T   6  -3.826   4.844  -2.716
  784    H6     T   6           H6         T   6  -7.181   4.928  -1.866
  785   1H5*    G   7          1H5*        G   7 -12.086   1.233  -4.122
  786   2H5*    G   7          2H5*        G   7 -12.409  -0.509  -4.066
  787    H4*    G   7           H4*        G   7 -11.362   0.272  -6.182
  788    H3*    G   7           H3*        G   7 -10.138  -1.905  -4.569
  789   1H2*    G   7          1H2*        G   7  -8.072  -1.030  -4.767
  790   2H2*    G   7          2H2*        G   7  -8.129  -1.545  -6.470
  791    H1*    G   7           H1*        G   7  -8.993   0.590  -7.183
  792    H8     G   7           H8         G   7  -7.327   1.312  -3.737
  793    H1     G   7           H1         G   7  -3.601   2.610  -8.782
  794   1H2     G   7           H21        G   7  -4.569   1.878 -10.681
  795   2H2     G   7           H22        G   7  -6.143   1.105 -10.614
  796   1H5*    G   8          1H5*        G   8  -9.718  -1.479  -9.267
  797   2H5*    G   8          2H5*        G   8 -10.123  -3.079  -9.921
  798    H4*    G   8           H4*        G   8  -8.390  -2.156 -11.296
  799    H3*    G   8           H3*        G   8  -8.092  -4.655  -9.942
  800   1H2*    G   8          1H2*        G   8  -6.474  -3.774  -8.472
  801   2H2*    G   8          2H2*        G   8  -5.370  -4.317  -9.747
  802    H1*    G   8           H1*        G   8  -5.474  -2.117 -10.842
  803    H8     G   8           H8         G   8  -6.036  -1.927  -6.997
  804    H1     G   8           H1         G   8  -0.250   0.101  -8.890
  805   1H2     G   8           H21        G   8  -0.133  -0.043 -11.200
  806   2H2     G   8           H22        G   8  -1.527  -0.577 -12.129
  807   1H5*    G   9          1H5*        G   9  -5.177  -3.277 -13.398
  808   2H5*    G   9          2H5*        G   9  -5.148  -4.654 -14.515
  809    H4*    G   9           H4*        G   9  -3.066  -3.472 -14.710
  810    H3*    G   9           H3*        G   9  -3.174  -6.230 -14.184
  811   1H2*    G   9          1H2*        G   9  -2.656  -5.896 -11.857
  812   2H2*    G   9          2H2*        G   9  -1.048  -6.243 -12.539
  813    H1*    G   9           H1*        G   9  -0.629  -3.869 -12.883
  814    H8     G   9           H8         G   9  -2.974  -4.538  -9.817
  815    H1     G   9           H1         G   9   2.692  -1.906  -8.374
  816   1H2     G   9           H21        G   9   3.945  -1.716 -10.324
  817   2H2     G   9           H22        G   9   3.232  -2.159 -11.875
  818   1H5*    A  10          1H5*        A  10   1.043  -3.978 -14.982
  819   2H5*    A  10          2H5*        A  10   1.769  -5.008 -16.229
  820    H4*    A  10           H4*        A  10   3.521  -3.920 -14.990
  821    H3*    A  10           H3*        A  10   3.318  -6.800 -15.191
  822   1H2*    A  10          1H2*        A  10   3.230  -7.110 -12.902
  823   2H2*    A  10          2H2*        A  10   4.998  -6.920 -12.981
  824    H1*    A  10           H1*        A  10   4.843  -4.549 -12.490
  825    H8     A  10           H8         A  10   1.540  -6.172 -11.311
  826   1H6     A  10           H61        A  10   3.188  -4.644  -5.580
  827   2H6     A  10           H62        A  10   1.969  -5.337  -6.629
  828    H2     A  10           H2         A  10   6.581  -3.584  -8.340
  829   1H5*    G  11          1H5*        G  11   7.282  -4.812 -14.070
  830   2H5*    G  11          2H5*        G  11   8.710  -5.614 -14.760
  831    H4*    G  11           H4*        G  11   9.013  -4.991 -12.386
  832    H3*    G  11           H3*        G  11   9.399  -7.718 -13.387
  833   1H2*    G  11          1H2*        G  11   7.925  -8.588 -11.802
  834   2H2*    G  11          2H2*        G  11   9.314  -8.433 -10.694
  835    H1*    G  11           H1*        G  11   8.620  -6.173 -10.079
  836    H8     G  11           H8         G  11   5.433  -8.250 -11.070
  837    H1     G  11           H1         G  11   5.956  -6.758  -4.845
  838   1H2     G  11           H21        G  11   8.099  -5.886  -4.498
  839   2H2     G  11           H22        G  11   9.109  -5.506  -5.881
  840   1H5*    A  12          1H5*        A  12  11.844  -5.538  -9.900
  841   2H5*    A  12          2H5*        A  12  13.526  -6.040 -10.154
  842    H4*    A  12           H4*        A  12  13.127  -5.510  -7.807
  843    H3*    A  12           H3*        A  12  14.332  -7.901  -8.708
  844   1H2*    A  12          1H2*        A  12  12.479  -9.253  -8.203
  845   2H2*    A  12          2H2*        A  12  13.298  -9.352  -6.625
  846    H1*    A  12           H1*        A  12  11.985  -7.526  -5.738
  847    H8     A  12           H8         A  12  10.130  -9.257  -8.718
  848   1H6     A  12           H61        A  12   5.545 -10.282  -4.754
  849   2H6     A  12           H62        A  12   6.179 -10.483  -6.386
  850    H2     A  12           H2         A  12   8.899  -8.323  -2.489
  851   1H5*    C  13          1H5*        C  13  14.301  -6.914  -4.107
  852   2H5*    C  13          2H5*        C  13  15.836  -7.390  -3.350
  853    H4*    C  13           H4*        C  13  13.865  -7.859  -1.916
  854    H3*    C  13           H3*        C  13  15.846  -9.885  -2.670
  855   1H2*    C  13          1H2*        C  13  14.250 -11.370  -3.385
  856   2H2*    C  13          2H2*        C  13  13.929 -11.662  -1.660
  857    H1*    C  13           H1*        C  13  12.234  -9.934  -1.598
  858   1H4     C  13           H41        C  13   8.764 -12.902  -6.527
  859   2H4     C  13           H42        C  13   7.813 -13.011  -5.057
  860    H5     C  13           H5         C  13  11.090 -12.052  -6.513
  861    H6     C  13           H6         C  13  12.765 -10.976  -5.145
  862   1H5*    C  14          1H5*        C  14  13.362 -10.254   1.210
  863   2H5*    C  14          2H5*        C  14  14.248 -11.026   2.544
  864    H4*    C  14           H4*        C  14  11.934 -11.910   2.275
  865    H3*    C  14           H3*        C  14  14.273 -13.753   1.880
  866   1H2*    C  14          1H2*        C  14  13.046 -15.121   0.609
  867   2H2*    C  14          2H2*        C  14  11.792 -15.277   1.878
  868    H1*    C  14           H1*        C  14  10.527 -13.493   1.080
  869   1H4     C  14           H41        C  14  10.758 -15.312  -5.343
  870   2H4     C  14           H42        C  14   9.118 -15.554  -4.772
  871    H5     C  14           H5         C  14  12.561 -14.515  -3.855
  872    H6     C  14           H6         C  14  13.034 -13.787  -1.557
  873   1H5*    G  15          1H5*        G  15  10.695 -15.066   4.467
  874   2H5*    G  15          2H5*        G  15  11.217 -16.082   5.827
  875    H4*    G  15           H4*        G  15   9.226 -17.005   4.684
  876    H3*    G  15           H3*        G  15  11.649 -18.545   5.146
  877   1H2*    G  15          1H2*        G  15  11.956 -18.985   2.884
  878   2H2*    G  15          2H2*        G  15  10.723 -20.250   3.168
  879    H1*    G  15           H1*        G  15   8.928 -18.734   2.536
  880    H8     G  15           H8         G  15  12.364 -17.971   0.845
  881    H1     G  15           H1         G  15   7.511 -18.879  -3.259
  882   1H2     G  15           H21        G  15   5.633 -19.490  -2.051
  883   2H2     G  15           H22        G  15   5.702 -19.586  -0.303
  884    H3T    G  15           H3T        G  15  10.088 -20.138   5.513
  885   1H5*    C  16          1H5*        C  16   3.227 -24.307  -8.123
  886   2H5*    C  16          2H5*        C  16   1.544 -23.793  -8.394
  887    H4*    C  16           H4*        C  16   2.440 -23.213  -6.092
  888    H3*    C  16           H3*        C  16   1.341 -21.192  -8.000
  889   1H2*    C  16          1H2*        C  16   2.757 -19.601  -7.305
  890   2H2*    C  16          2H2*        C  16   2.047 -19.675  -5.672
  891    H1*    C  16           H1*        C  16   3.621 -21.319  -4.961
  892   1H4     C  16           H41        C  16   8.946 -17.817  -7.007
  893   2H4     C  16           H42        C  16   8.976 -17.877  -5.254
  894    H5     C  16           H5         C  16   7.117 -18.816  -8.317
  895    H6     C  16           H6         C  16   5.077 -20.086  -8.159
  896    H5T    C  16           H5T        C  16   3.799 -22.210  -9.036
  897   1H5*    G  17          1H5*        G  17   0.414 -21.124  -3.574
  898   2H5*    G  17          2H5*        G  17  -1.158 -20.461  -3.096
  899    H4*    G  17           H4*        G  17   0.741 -19.674  -1.708
  900    H3*    G  17           H3*        G  17  -1.195 -17.869  -2.849
  901   1H2*    G  17          1H2*        G  17   0.483 -16.857  -4.203
  902   2H2*    G  17          2H2*        G  17   0.697 -15.866  -2.728
  903    H1*    G  17           H1*        G  17   2.332 -17.473  -1.857
  904    H8     G  17           H8         G  17   2.377 -17.086  -5.743
  905    H1     G  17           H1         G  17   7.812 -15.524  -2.675
  906   1H2     G  17           H21        G  17   7.435 -15.753  -0.396
  907   2H2     G  17           H22        G  17   5.906 -16.386   0.167
  908   1H5*    G  18          1H5*        G  18   1.152 -17.220   1.360
  909   2H5*    G  18          2H5*        G  18  -0.031 -16.370   2.375
  910    H4*    G  18           H4*        G  18   2.243 -15.824   3.073
  911    H3*    G  18           H3*        G  18   0.271 -13.884   2.515
  912   1H2*    G  18          1H2*        G  18   1.247 -13.220   0.482
  913   2H2*    G  18          2H2*        G  18   2.108 -12.091   1.558
  914    H1*    G  18           H1*        G  18   3.983 -13.613   1.782
  915    H8     G  18           H8         G  18   2.031 -14.275  -1.542
  916    H1     G  18           H1         G  18   8.034 -12.175  -2.387
  917   1H2     G  18           H21        G  18   8.924 -11.636  -0.315
  918   2H2     G  18           H22        G  18   8.042 -12.031   1.154
  919   1H5*    T  19          1H5*        T  19   4.385 -12.413   4.344
  920   2H5*    T  19          2H5*        T  19   4.065 -11.162   5.565
  921    H4*    T  19           H4*        T  19   6.087 -10.672   4.219
  922    H3*    T  19           H3*        T  19   3.854  -8.817   4.522
  923   1H2*    T  19          1H2*        T  19   3.606  -8.537   2.261
  924   2H2*    T  19          2H2*        T  19   5.032  -7.498   2.359
  925    H1*    T  19           H1*        T  19   6.538  -9.344   1.907
  926    H3     T  19           H3         T  19   6.289  -9.445  -2.673
  927   1H5M    T  19          1H5M        T  19   1.480 -11.022  -0.704
  928   2H5M    T  19          2H5M        T  19   1.411  -9.680  -1.865
  929   3H5M    T  19          3H5M        T  19   1.964 -11.290  -2.389
  930    H6     T  19           H6         T  19   3.106 -10.172   0.836
  931   1H5*    C  20          1H5*        C  20   8.100  -7.170   3.581
  932   2H5*    C  20          2H5*        C  20   8.383  -5.502   4.123
  933    H4*    C  20           H4*        C  20   9.027  -5.965   1.730
  934    H3*    C  20           H3*        C  20   6.862  -3.922   2.274
  935   1H2*    C  20          1H2*        C  20   6.352  -3.849   0.081
  936   2H2*    C  20          2H2*        C  20   8.060  -3.912  -0.450
  937    H1*    C  20           H1*        C  20   8.155  -6.172  -0.540
  938   1H4     C  20           H41        C  20   2.137  -7.317  -3.205
  939   2H4     C  20           H42        C  20   3.341  -7.325  -4.485
  940    H5     C  20           H5         C  20   2.769  -6.753  -0.854
  941    H6     C  20           H6         C  20   4.623  -6.173   0.578
  942   1H5*    T  21          1H5*        T  21  10.701  -3.116  -0.096
  943   2H5*    T  21          2H5*        T  21  11.251  -1.430  -0.032
  944    H4*    T  21           H4*        T  21  11.457  -2.517  -2.284
  945    H3*    T  21           H3*        T  21  10.488   0.100  -1.803
  946   1H2*    T  21          1H2*        T  21   8.269  -0.418  -2.302
  947   2H2*    T  21          2H2*        T  21   8.791  -0.042  -3.961
  948    H1*    T  21           H1*        T  21   9.371  -2.347  -4.404
  949    H3     T  21           H3         T  21   5.294  -3.901  -5.709
  950   1H5M    T  21          1H5M        T  21   3.453  -2.141  -1.700
  951   2H5M    T  21          2H5M        T  21   4.017  -3.648  -0.964
  952   3H5M    T  21          3H5M        T  21   4.819  -2.110  -0.578
  953    H6     T  21           H6         T  21   6.939  -2.071  -1.587
  954   1H5*    C  22          1H5*        C  22  10.960  -0.670  -6.590
  955   2H5*    C  22          2H5*        C  22  11.462   0.890  -7.276
  956    H4*    C  22           H4*        C  22   9.599  -0.039  -8.538
  957    H3*    C  22           H3*        C  22   9.061   2.456  -6.954
  958   1H2*    C  22          1H2*        C  22   6.875   2.008  -6.867
  959   2H2*    C  22          2H2*        C  22   6.763   1.870  -8.643
  960    H1*    C  22           H1*        C  22   7.235  -0.426  -8.648
  961   1H4     C  22           H41        C  22   2.401  -1.305  -4.072
  962   2H4     C  22           H42        C  22   1.751  -1.785  -5.627
  963    H5     C  22           H5         C  22   4.628  -0.269  -3.851
  964    H6     C  22           H6         C  22   6.661   0.264  -5.042
  965   1H5*    C  23          1H5*        C  23   7.834   2.477 -11.608
  966   2H5*    C  23          2H5*        C  23   7.460   4.143 -12.118
  967    H4*    C  23           H4*        C  23   5.717   2.429 -12.702
  968    H3*    C  23           H3*        C  23   4.977   4.736 -10.904
  969   1H2*    C  23          1H2*        C  23   2.924   3.857 -10.595
  970   2H2*    C  23          2H2*        C  23   2.825   3.132 -12.231
  971    H1*    C  23           H1*        C  23   3.657   1.152 -11.605
  972   1H4     C  23           H41        C  23   1.479   1.661  -5.259
  973   2H4     C  23           H42        C  23   0.298   0.719  -6.151
  974    H5     C  23           H5         C  23   3.474   2.606  -6.354
  975    H6     C  23           H6         C  23   4.581   2.885  -8.489
  976   1H5*    C  24          1H5*        C  24   2.627   3.541 -14.727
  977   2H5*    C  24          2H5*        C  24   2.330   5.035 -15.634
  978    H4*    C  24           H4*        C  24   0.479   3.486 -15.921
  979    H3*    C  24           H3*        C  24   0.159   6.183 -15.255
  980   1H2*    C  24          1H2*        C  24  -0.279   5.734 -12.964
  981   2H2*    C  24          2H2*        C  24  -1.934   5.771 -13.579
  982    H1*    C  24           H1*        C  24  -1.974   3.354 -13.870
  983   1H4     C  24           H41        C  24  -0.192   2.777  -7.412
  984   2H4     C  24           H42        C  24  -1.917   2.594  -7.401
  985    H5     C  24           H5         C  24   1.035   3.522  -9.345
  986    H6     C  24           H6         C  24   0.900   4.045 -11.694
  987   1H5*    A  25          1H5*        A  25  -3.517   3.334 -16.013
  988   2H5*    A  25          2H5*        A  25  -4.381   4.122 -17.347
  989    H4*    A  25           H4*        A  25  -5.892   2.736 -16.037
  990    H3*    A  25           H3*        A  25  -6.426   5.362 -16.793
  991   1H2*    A  25          1H2*        A  25  -5.932   6.318 -14.700
  992   2H2*    A  25          2H2*        A  25  -7.662   6.032 -14.449
  993    H1*    A  25           H1*        A  25  -7.267   3.966 -13.302
  994    H8     A  25           H8         A  25  -4.046   6.139 -13.298
  995   1H6     A  25           H61        A  25  -4.227   5.877  -7.168
  996   2H6     A  25           H62        A  25  -3.374   6.410  -8.608
  997    H2     A  25           H2         A  25  -7.939   3.865  -8.735
  998   1H5*    T  26          1H5*        T  26  -9.673   3.488 -14.231
  999   2H5*    T  26          2H5*        T  26 -11.333   3.944 -14.664
 1000    H4*    T  26           H4*        T  26 -10.874   4.200 -12.249
 1001    H3*    T  26           H3*        T  26 -11.497   6.669 -13.871
 1002   1H2*    T  26          1H2*        T  26 -10.536   7.995 -12.321
 1003   2H2*    T  26          2H2*        T  26 -11.491   7.253 -11.011
 1004    H1*    T  26           H1*        T  26  -9.949   5.607 -10.547
 1005    H3     T  26           H3         T  26  -6.862   8.035  -8.262
 1006   1H5M    T  26          1H5M        T  26  -4.666   8.716 -12.389
 1007   2H5M    T  26          2H5M        T  26  -5.984   8.745 -13.581
 1008   3H5M    T  26          3H5M        T  26  -5.733  10.129 -12.491
 1009    H6     T  26           H6         T  26  -7.989   7.672 -12.906
 1010   1H5*    C  27          1H5*        C  27 -13.371   5.312 -10.026
 1011   2H5*    C  27          2H5*        C  27 -15.084   5.728  -9.812
 1012    H4*    C  27           H4*        C  27 -13.763   5.997  -7.726
 1013    H3*    C  27           H3*        C  27 -15.457   8.034  -8.879
 1014   1H2*    C  27          1H2*        C  27 -13.730   9.555  -9.138
 1015   2H2*    C  27          2H2*        C  27 -14.007   9.884  -7.412
 1016    H1*    C  27           H1*        C  27 -12.366   8.232  -6.747
 1017   1H4     C  27           H41        C  27  -7.626  11.472 -10.269
 1018   2H4     C  27           H42        C  27  -7.078  11.360  -8.618
 1019    H5     C  27           H5         C  27  -9.746  10.443 -11.022
 1020    H6     C  27           H6         C  27 -11.755   9.343 -10.275
 1021   1H5*    C  28          1H5*        C  28 -14.295   8.744  -4.442
 1022   2H5*    C  28          2H5*        C  28 -15.610   9.532  -3.542
 1023    H4*    C  28           H4*        C  28 -13.479  10.723  -3.239
 1024    H3*    C  28           H3*        C  28 -15.619  12.158  -4.829
 1025   1H2*    C  28          1H2*        C  28 -14.127  13.649  -5.590
 1026   2H2*    C  28          2H2*        C  28 -13.376  13.877  -3.982
 1027    H1*    C  28           H1*        C  28 -11.839  12.220  -4.240
 1028   1H4     C  28           H41        C  28 -10.168  13.492 -10.583
 1029   2H4     C  28           H42        C  28  -8.844  14.030  -9.578
 1030    H5     C  28           H5         C  28 -12.295  12.649  -9.650
 1031    H6     C  28           H6         C  28 -13.450  12.105  -7.580
 1032   1H5*    A  29          1H5*        A  29 -13.550  13.831  -1.144
 1033   2H5*    A  29          2H5*        A  29 -14.585  14.890  -0.168
 1034    H4*    A  29           H4*        A  29 -12.218  15.659  -0.386
 1035    H3*    A  29           H3*        A  29 -14.489  17.316  -0.564
 1036   1H2*    A  29          1H2*        A  29 -14.364  17.542  -2.895
 1037   2H2*    A  29          2H2*        A  29 -13.335  18.928  -2.461
 1038    H1*    A  29           H1*        A  29 -11.323  17.602  -2.629
 1039    H8     A  29           H8         A  29 -14.307  16.516  -4.905
 1040   1H6     A  29           H61        A  29 -10.199  16.475  -9.528
 1041   2H6     A  29           H62        A  29 -11.877  16.238  -9.047
 1042    H2     A  29           H2         A  29  -8.085  17.787  -5.801
 1043   1H5*    A  30          1H5*        A  30 -10.068  19.000  -0.320
 1044   2H5*    A  30          2H5*        A  30 -10.031  20.496   0.635
 1045    H4*    A  30           H4*        A  30  -8.396  20.536  -1.214
 1046    H3*    A  30           H3*        A  30 -10.346  22.630  -0.762
 1047   1H2*    A  30          1H2*        A  30 -11.405  22.269  -2.822
 1048   2H2*    A  30          2H2*        A  30 -10.081  23.326  -3.406
 1049    H1*    A  30           H1*        A  30  -8.681  21.387  -3.893
 1050    H8     A  30           H8         A  30 -12.479  20.432  -4.082
 1051   1H6     A  30           H61        A  30 -11.417  19.233 -10.018
 1052   2H6     A  30           H62        A  30 -12.603  19.346  -8.717
 1053    H2     A  30           H2         A  30  -7.598  20.774  -8.240
 1054    H3T    A  30           H3T        A  30  -8.078  22.875  -0.651
   
  No H/Q in entry =        1054
  Start of MODEL   10
    1    H    MET   1           H        MET   1   2.626 -22.305 -16.889
    2    HA   MET   1           HA       MET   1   3.392 -23.443 -14.485
    3   1HB   MET   1          2HB       MET   1   3.789 -20.417 -14.570
    4   2HB   MET   1          3HB       MET   1   3.745 -21.384 -13.092
    5   1HG   MET   1          2HG       MET   1   5.678 -22.719 -13.925
    6   2HG   MET   1          3HG       MET   1   5.786 -21.663 -15.337
    7   1HE   MET   1          2HE       MET   1   6.438 -19.114 -15.232
    8   2HE   MET   1          3HE       MET   1   5.235 -18.734 -13.972
    9   3HE   MET   1          1HE       MET   1   6.934 -18.273 -13.746
   10    H    LYS  11           H        LYS  11   1.706 -23.038 -12.823
   11    HA   LYS  11           HA       LYS  11  -0.883 -22.643 -14.084
   12   1HB   LYS  11          2HB       LYS  11  -0.453 -24.343 -12.321
   13   2HB   LYS  11          3HB       LYS  11  -0.142 -23.032 -11.174
   14   1HG   LYS  11          2HG       LYS  11  -2.341 -23.897 -10.828
   15   2HG   LYS  11          3HG       LYS  11  -2.436 -22.226 -11.389
   16   1HD   LYS  11          2HD       LYS  11  -3.114 -22.977 -13.638
   17   2HD   LYS  11          3HD       LYS  11  -2.778 -24.661 -13.210
   18   1HE   LYS  11          2HE       LYS  11  -5.200 -24.114 -13.184
   19   2HE   LYS  11          3HE       LYS  11  -4.620 -24.679 -11.610
   20   1HZ   LYS  11          3HZ       LYS  11  -4.957 -21.845 -12.329
   21   2HZ   LYS  11          1HZ       LYS  11  -6.062 -22.745 -11.491
   22   3HZ   LYS  11          2HZ       LYS  11  -4.573 -22.453 -10.850
   23    H    ARG  12           H        ARG  12  -2.341 -20.965 -13.704
   24    HA   ARG  12           HA       ARG  12  -1.488 -18.581 -12.169
   25   1HB   ARG  12          2HB       ARG  12  -2.687 -18.771 -14.962
   26   2HB   ARG  12          3HB       ARG  12  -2.964 -17.386 -13.908
   27   1HG   ARG  12          2HG       ARG  12  -1.244 -16.745 -15.321
   28   2HG   ARG  12          3HG       ARG  12  -0.509 -17.018 -13.732
   29   1HD   ARG  12          2HD       ARG  12   0.497 -19.075 -14.480
   30   2HD   ARG  12          3HD       ARG  12  -0.423 -19.045 -16.003
   31    HE   ARG  12           HE       ARG  12   1.081 -16.643 -15.761
   32   1HH1  ARG  12          2HH2      ARG  12   1.613 -20.115 -16.261
   33   2HH1  ARG  12          1HH2      ARG  12   3.095 -19.893 -17.144
   34   1HH2  ARG  12          2HH1      ARG  12   3.009 -16.351 -16.929
   35   2HH2  ARG  12          1HH1      ARG  12   3.888 -17.719 -17.557
   36    H    TYR  13           H        TYR  13  -3.326 -17.736 -10.985
   37    HA   TYR  13           HA       TYR  13  -5.607 -19.589 -10.708
   38   1HB   TYR  13          2HB       TYR  13  -5.111 -16.823  -9.526
   39   2HB   TYR  13          3HB       TYR  13  -6.443 -17.907  -9.137
   40    HD1  TYR  13           HD1      TYR  13  -6.021 -20.035  -7.893
   41    HD2  TYR  13           HD2      TYR  13  -2.986 -17.027  -8.465
   42    HE1  TYR  13           HE1      TYR  13  -4.995 -20.662  -5.736
   43    HE2  TYR  13           HE2      TYR  13  -1.943 -17.673  -6.332
   44    HH   TYR  13           HH       TYR  13  -3.314 -20.186  -4.204
   45    H    ILE  14           H        ILE  14  -7.528 -19.255 -11.835
   46    HA   ILE  14           HA       ILE  14  -7.567 -17.035 -13.816
   47    HB   ILE  14           HB       ILE  14  -8.923 -19.744 -13.957
   48   1HG1  ILE  14          2HG1      ILE  14  -6.281 -18.659 -14.982
   49   2HG1  ILE  14          3HG1      ILE  14  -6.586 -20.154 -14.084
   50   1HG2  ILE  14          3HG2      ILE  14 -10.070 -17.925 -15.240
   51   2HG2  ILE  14          1HG2      ILE  14  -8.528 -17.561 -16.048
   52   3HG2  ILE  14          2HG2      ILE  14  -9.348 -19.119 -16.298
   53   1HD1  ILE  14          2HD1      ILE  14  -7.779 -21.028 -16.138
   54   2HD1  ILE  14          3HD1      ILE  14  -7.199 -19.566 -16.993
   55   3HD1  ILE  14          1HD1      ILE  14  -6.038 -20.723 -16.331
   56    H    CYS  15           H        CYS  15  -9.312 -15.784 -14.053
   57    HA   CYS  15           HA       CYS  15 -10.971 -15.242 -11.819
   58   1HB   CYS  15          2HB       CYS  15 -10.336 -13.543 -13.305
   59   2HB   CYS  15          3HB       CYS  15 -10.935 -14.415 -14.715
   60    H    SER  16           H        SER  16 -12.655 -16.384 -11.076
   61    HA   SER  16           HA       SER  16 -13.729 -18.649 -11.904
   62   1HB   SER  16          2HB       SER  16 -15.481 -16.502 -10.664
   63   2HB   SER  16          3HB       SER  16 -15.377 -18.231 -10.276
   64    HG   SER  16           HG       SER  16 -14.249 -16.968  -8.726
   65    H    PHE  17           H        PHE  17 -14.847 -15.449 -12.931
   66    HA   PHE  17           HA       PHE  17 -17.097 -16.395 -14.506
   67   1HB   PHE  17          2HB       PHE  17 -15.713 -13.695 -14.524
   68   2HB   PHE  17          3HB       PHE  17 -17.333 -14.061 -15.095
   69    HD1  PHE  17           HD2      PHE  17 -19.132 -14.703 -13.414
   70    HD2  PHE  17           HD1      PHE  17 -15.237 -13.329 -12.162
   71    HE1  PHE  17           HE2      PHE  17 -19.925 -14.561 -11.070
   72    HE2  PHE  17           HE1      PHE  17 -15.982 -13.375  -9.809
   73    HZ   PHE  17           HZ       PHE  17 -18.346 -13.933  -9.257
   74    H    ALA  18           H        ALA  18 -15.426 -17.990 -15.432
   75    HA   ALA  18           HA       ALA  18 -13.416 -18.087 -16.921
   76   1HB   ALA  18          1HB       ALA  18 -15.056 -19.881 -16.882
   77   2HB   ALA  18          2HB       ALA  18 -16.088 -19.018 -18.040
   78   3HB   ALA  18          3HB       ALA  18 -14.489 -19.609 -18.541
   79    H    ASP  19           H        ASP  19 -16.259 -16.881 -18.740
   80    HA   ASP  19           HA       ASP  19 -15.160 -16.212 -21.139
   81   1HB   ASP  19          2HB       ASP  19 -17.216 -14.573 -19.594
   82   2HB   ASP  19          3HB       ASP  19 -16.951 -14.530 -21.342
   83    H    CYS  20           H        CYS  20 -14.902 -14.291 -18.174
   84    HA   CYS  20           HA       CYS  20 -13.945 -11.856 -19.154
   85   1HB   CYS  20          2HB       CYS  20 -14.703 -12.468 -16.827
   86   2HB   CYS  20          3HB       CYS  20 -13.149 -13.286 -16.603
   87    H    GLY  21           H        GLY  21 -12.228 -14.937 -18.645
   88   1HA   GLY  21          2HA       GLY  21 -10.183 -15.667 -19.276
   89   2HA   GLY  21          3HA       GLY  21 -10.140 -14.332 -20.432
   90    H    ALA  22           H        ALA  22 -10.358 -13.371 -17.078
   91    HA   ALA  22           HA       ALA  22  -7.631 -12.279 -17.195
   92   1HB   ALA  22          1HB       ALA  22  -9.779 -12.136 -15.045
   93   2HB   ALA  22          2HB       ALA  22  -8.225 -11.278 -15.017
   94   3HB   ALA  22          3HB       ALA  22  -9.423 -10.907 -16.273
   95    H    ALA  23           H        ALA  23  -5.834 -13.144 -16.084
   96    HA   ALA  23           HA       ALA  23  -6.228 -15.241 -14.099
   97   1HB   ALA  23          3HB       ALA  23  -6.348 -16.491 -16.236
   98   2HB   ALA  23          1HB       ALA  23  -4.818 -15.758 -16.756
   99   3HB   ALA  23          2HB       ALA  23  -4.842 -16.869 -15.371
  100    H    TYR  24           H        TYR  24  -4.408 -15.402 -12.713
  101    HA   TYR  24           HA       TYR  24  -1.896 -14.068 -13.449
  102   1HB   TYR  24          2HB       TYR  24  -3.251 -13.130 -10.914
  103   2HB   TYR  24          3HB       TYR  24  -1.869 -12.441 -11.744
  104    HD1  TYR  24           HD2      TYR  24  -5.536 -12.850 -11.764
  105    HD2  TYR  24           HD1      TYR  24  -2.246 -10.708 -13.520
  106    HE1  TYR  24           HE2      TYR  24  -7.124 -11.209 -12.727
  107    HE2  TYR  24           HE1      TYR  24  -3.814  -9.049 -14.439
  108    HH   TYR  24           HH       TYR  24  -6.018  -8.396 -14.637
  109    H    ASN  25           H        ASN  25  -0.138 -14.763 -12.063
  110    HA   ASN  25           HA       ASN  25  -0.607 -17.273 -10.640
  111   1HB   ASN  25          2HB       ASN  25   1.778 -17.266 -10.253
  112   2HB   ASN  25          3HB       ASN  25   1.456 -16.896 -11.950
  113   1HD2  ASN  25          1HD2      ASN  25   3.801 -14.349 -10.039
  114   2HD2  ASN  25          2HD2      ASN  25   3.637 -16.017  -9.569
  115    H    LYS  26           H        LYS  26  -0.267 -13.876  -9.815
  116    HA   LYS  26           HA       LYS  26   0.228 -14.369  -6.995
  117   1HB   LYS  26          2HB       LYS  26  -0.441 -11.903  -8.637
  118   2HB   LYS  26          3HB       LYS  26  -0.180 -11.865  -6.892
  119   1HG   LYS  26          2HG       LYS  26   1.863 -12.780  -8.980
  120   2HG   LYS  26          3HG       LYS  26   1.844 -11.228  -8.130
  121   1HD   LYS  26          2HD       LYS  26   1.939 -12.569  -5.936
  122   2HD   LYS  26          3HD       LYS  26   2.350 -13.989  -6.914
  123   1HE   LYS  26          2HE       LYS  26   3.921 -11.384  -6.964
  124   2HE   LYS  26          3HE       LYS  26   4.265 -12.785  -5.944
  125   1HZ   LYS  26          2HZ       LYS  26   4.474 -14.118  -7.922
  126   2HZ   LYS  26          3HZ       LYS  26   4.297 -12.764  -8.863
  127   3HZ   LYS  26          1HZ       LYS  26   5.586 -12.913  -7.836
  128    H    ASN  27           H        ASN  27  -1.235 -15.210  -5.738
  129    HA   ASN  27           HA       ASN  27  -3.990 -15.407  -6.077
  130   1HB   ASN  27          2HB       ASN  27  -2.532 -16.570  -4.341
  131   2HB   ASN  27          3HB       ASN  27  -2.543 -15.068  -3.410
  132   1HD2  ASN  27          1HD2      ASN  27  -5.597 -17.608  -2.979
  133   2HD2  ASN  27          2HD2      ASN  27  -4.068 -18.033  -3.745
  134    H    TRP  28           H        TRP  28  -2.212 -12.891  -4.200
  135    HA   TRP  28           HA       TRP  28  -4.407 -11.346  -3.342
  136   1HB   TRP  28          2HB       TRP  28  -2.889  -9.601  -2.986
  137   2HB   TRP  28          3HB       TRP  28  -2.050 -11.096  -2.607
  138    HD1  TRP  28           HD1      TRP  28   0.234 -11.481  -3.848
  139    HE1  TRP  28           HE1      TRP  28   1.631 -10.149  -5.539
  140    HE3  TRP  28           HE3      TRP  28  -3.195  -7.879  -5.083
  141    HZ2  TRP  28           HZ2      TRP  28   1.271  -7.863  -7.278
  142    HZ3  TRP  28           HZ3      TRP  28  -2.638  -6.144  -6.740
  143    HH2  TRP  28           HH2      TRP  28  -0.425  -6.118  -7.843
  144    H    LYS  29           H        LYS  29  -2.654 -11.277  -6.481
  145    HA   LYS  29           HA       LYS  29  -4.042  -8.977  -7.474
  146   1HB   LYS  29          2HB       LYS  29  -1.765  -9.831  -8.147
  147   2HB   LYS  29          3HB       LYS  29  -2.591 -11.082  -9.104
  148   1HG   LYS  29          2HG       LYS  29  -3.815  -9.276 -10.313
  149   2HG   LYS  29          3HG       LYS  29  -2.898  -8.056  -9.421
  150   1HD   LYS  29          2HD       LYS  29  -1.572 -10.213 -11.144
  151   2HD   LYS  29          3HD       LYS  29  -2.158  -8.683 -11.784
  152   1HE   LYS  29          2HE       LYS  29   0.094  -8.289 -11.479
  153   2HE   LYS  29          3HE       LYS  29  -0.634  -7.514 -10.059
  154   1HZ   LYS  29          2HZ       LYS  29   0.626 -10.172 -10.141
  155   2HZ   LYS  29          3HZ       LYS  29   1.318  -8.795  -9.557
  156   3HZ   LYS  29          1HZ       LYS  29   0.011  -9.440  -8.797
  157    H    LEU  30           H        LEU  30  -4.437 -12.529  -8.010
  158    HA   LEU  30           HA       LEU  30  -6.628 -12.176  -9.819
  159   1HB   LEU  30          2HB       LEU  30  -5.414 -14.177  -9.840
  160   2HB   LEU  30          3HB       LEU  30  -5.772 -14.549  -8.145
  161    HG   LEU  30           HG       LEU  30  -6.915 -15.813 -10.075
  162   1HD1  LEU  30          2HD1      LEU  30  -7.539 -16.117  -7.834
  163   2HD1  LEU  30          3HD1      LEU  30  -8.620 -14.708  -7.847
  164   3HD1  LEU  30          1HD1      LEU  30  -8.983 -16.125  -8.867
  165   1HD2  LEU  30          3HD2      LEU  30  -7.374 -14.020 -11.502
  166   2HD2  LEU  30          1HD2      LEU  30  -8.836 -14.936 -11.131
  167   3HD2  LEU  30          2HD2      LEU  30  -8.590 -13.338 -10.406
  168    H    GLN  31           H        GLN  31  -6.558 -12.593  -6.247
  169    HA   GLN  31           HA       GLN  31  -9.390 -12.399  -5.849
  170   1HB   GLN  31          2HB       GLN  31  -6.927 -11.899  -4.189
  171   2HB   GLN  31          3HB       GLN  31  -8.470 -11.278  -3.618
  172   1HG   GLN  31          2HG       GLN  31  -7.732 -13.625  -2.820
  173   2HG   GLN  31          3HG       GLN  31  -9.413 -13.335  -3.282
  174   1HE2  GLN  31          1HE2      GLN  31  -7.137 -15.733  -5.761
  175   2HE2  GLN  31          2HE2      GLN  31  -6.333 -14.484  -4.809
  176    H    ALA  32           H        ALA  32  -6.841  -9.858  -6.040
  177    HA   ALA  32           HA       ALA  32  -8.544  -7.648  -5.681
  178   1HB   ALA  32          2HB       ALA  32  -6.008  -7.532  -5.729
  179   2HB   ALA  32          3HB       ALA  32  -6.084  -7.746  -7.490
  180   3HB   ALA  32          1HB       ALA  32  -6.801  -6.316  -6.749
  181    H    HIS  33           H        HIS  33  -7.962  -9.635  -8.581
  182    HA   HIS  33           HA       HIS  33  -9.473  -7.854 -10.305
  183   1HB   HIS  33          2HB       HIS  33  -7.805  -9.404 -11.179
  184   2HB   HIS  33          3HB       HIS  33  -8.764 -10.779 -10.638
  185    HD1  HIS  33           HD1      HIS  33  -8.835  -7.982 -13.239
  186    HD2  HIS  33           HD2      HIS  33 -11.073 -11.299 -11.937
  187    HE1  HIS  33           HE1      HIS  33 -10.735  -8.314 -14.942
  188    H    LEU  34           H        LEU  34 -10.252 -10.997  -8.714
  189    HA   LEU  34           HA       LEU  34 -12.923 -11.262  -9.391
  190   1HB   LEU  34          2HB       LEU  34 -11.339 -12.084  -6.988
  191   2HB   LEU  34          3HB       LEU  34 -13.086 -12.097  -6.821
  192    HG   LEU  34           HG       LEU  34 -13.348 -13.534  -8.724
  193   1HD1  LEU  34          3HD1      LEU  34 -10.321 -13.590  -8.848
  194   2HD1  LEU  34          1HD1      LEU  34 -11.385 -14.715  -9.702
  195   3HD1  LEU  34          2HD1      LEU  34 -11.409 -12.987 -10.118
  196   1HD2  LEU  34          3HD2      LEU  34 -13.080 -14.491  -6.460
  197   2HD2  LEU  34          1HD2      LEU  34 -12.403 -15.582  -7.682
  198   3HD2  LEU  34          2HD2      LEU  34 -11.323 -14.575  -6.697
  199    H    SER  35           H        SER  35 -11.615  -9.150  -6.867
  200    HA   SER  35           HA       SER  35 -13.848  -8.395  -5.487
  201   1HB   SER  35          2HB       SER  35 -12.854  -6.294  -5.013
  202   2HB   SER  35          3HB       SER  35 -11.514  -7.443  -5.174
  203    HG   SER  35           HG       SER  35 -11.150  -6.617  -7.249
  204    H    LYS  36           H        LYS  36 -13.054  -7.308  -8.784
  205    HA   LYS  36           HA       LYS  36 -14.940  -5.258  -9.151
  206   1HB   LYS  36          2HB       LYS  36 -13.972  -7.404 -11.089
  207   2HB   LYS  36          3HB       LYS  36 -14.847  -5.942 -11.565
  208   1HG   LYS  36          2HG       LYS  36 -13.055  -4.514 -10.785
  209   2HG   LYS  36          3HG       LYS  36 -12.160  -5.897 -10.121
  210   1HD   LYS  36          2HD       LYS  36 -12.017  -6.931 -12.354
  211   2HD   LYS  36          3HD       LYS  36 -12.886  -5.567 -13.079
  212   1HE   LYS  36          2HE       LYS  36 -10.240  -5.368 -11.583
  213   2HE   LYS  36          3HE       LYS  36 -10.380  -5.465 -13.347
  214   1HZ   LYS  36          3HZ       LYS  36 -11.634  -3.438 -13.310
  215   2HZ   LYS  36          1HZ       LYS  36 -11.490  -3.326 -11.674
  216   3HZ   LYS  36          2HZ       LYS  36 -10.151  -3.220 -12.628
  217    H    HIS  37           H        HIS  37 -15.329  -8.777  -9.518
  218    HA   HIS  37           HA       HIS  37 -18.149  -8.509 -10.375
  219   1HB   HIS  37          2HB       HIS  37 -16.445 -10.964  -9.925
  220   2HB   HIS  37          3HB       HIS  37 -17.993 -10.892 -10.764
  221    HD1  HIS  37           HD1      HIS  37 -17.898 -10.110 -13.319
  222    HD2  HIS  37           HD2      HIS  37 -14.266 -10.531 -11.262
  223    HE1  HIS  37           HE1      HIS  37 -16.094 -10.501 -15.084
  224    H    THR  38           H        THR  38 -16.233 -10.014  -7.801
  225    HA   THR  38           HA       THR  38 -18.527 -11.109  -6.405
  226    HB   THR  38           HB       THR  38 -16.854 -11.948  -4.862
  227    HG1  THR  38          1HG       THR  38 -14.997 -10.403  -6.367
  228   1HG2  THR  38          1HG2      THR  38 -17.092 -13.146  -7.020
  229   2HG2  THR  38          2HG2      THR  38 -15.769 -12.176  -7.706
  230   3HG2  THR  38          3HG2      THR  38 -15.453 -13.265  -6.348
  231    H    GLY  39           H        GLY  39 -16.571  -8.156  -6.003
  232   1HA   GLY  39          2HA       GLY  39 -16.896  -6.406  -4.544
  233   2HA   GLY  39          3HA       GLY  39 -18.247  -7.251  -3.776
  234    H    GLU  40           H        GLU  40 -15.421  -9.276  -4.089
  235    HA   GLU  40           HA       GLU  40 -15.041  -9.319  -1.208
  236   1HB   GLU  40          2HB       GLU  40 -13.561 -10.573  -3.555
  237   2HB   GLU  40          3HB       GLU  40 -13.113 -10.849  -1.871
  238   1HG   GLU  40          2HG       GLU  40 -15.203 -11.906  -1.348
  239   2HG   GLU  40          3HG       GLU  40 -15.927 -11.408  -2.877
  240    H    LYS  41           H        LYS  41 -13.590  -8.151  -0.038
  241    HA   LYS  41           HA       LYS  41 -11.241  -6.869  -1.378
  242   1HB   LYS  41          2HB       LYS  41 -13.022  -5.463   0.638
  243   2HB   LYS  41          3HB       LYS  41 -11.606  -4.847  -0.244
  244   1HG   LYS  41          2HG       LYS  41 -12.880  -5.322  -2.399
  245   2HG   LYS  41          3HG       LYS  41 -14.304  -5.676  -1.404
  246   1HD   LYS  41          2HD       LYS  41 -14.859  -3.518  -1.411
  247   2HD   LYS  41          3HD       LYS  41 -13.407  -3.176  -0.481
  248   1HE   LYS  41          2HE       LYS  41 -13.284  -1.777  -2.392
  249   2HE   LYS  41          3HE       LYS  41 -12.118  -3.080  -2.681
  250   1HZ   LYS  41          1HZ       LYS  41 -14.857  -2.946  -3.761
  251   2HZ   LYS  41          2HZ       LYS  41 -13.475  -2.631  -4.600
  252   3HZ   LYS  41          3HZ       LYS  41 -13.772  -4.152  -4.048
  253    HA   PRO  42           HA       PRO  42 -10.334  -9.915   1.950
  254   1HB   PRO  42          2HB       PRO  42  -7.676  -9.728   0.544
  255   2HB   PRO  42          3HB       PRO  42  -8.483 -11.170   1.213
  256   1HG   PRO  42          2HG       PRO  42  -8.555 -10.608  -1.444
  257   2HG   PRO  42          3HG       PRO  42 -10.028 -11.217  -0.615
  258   1HD   PRO  42          2HD       PRO  42  -9.330  -8.410  -1.432
  259   2HD   PRO  42          3HD       PRO  42 -10.890  -9.261  -1.502
  260    H    PHE  43           H        PHE  43  -8.524  -6.882   1.304
  261    HA   PHE  43           HA       PHE  43  -7.285  -7.098   4.027
  262   1HB   PHE  43          2HB       PHE  43  -6.290  -5.826   1.473
  263   2HB   PHE  43          3HB       PHE  43  -5.596  -5.557   3.055
  264    HD1  PHE  43           HD2      PHE  43  -4.445  -7.312   4.302
  265    HD2  PHE  43           HD1      PHE  43  -5.969  -8.109   0.325
  266    HE1  PHE  43           HE2      PHE  43  -3.076  -9.368   4.163
  267    HE2  PHE  43           HE1      PHE  43  -4.587 -10.119   0.204
  268    HZ   PHE  43           HZ       PHE  43  -3.123 -10.764   2.109
  269    HA   PRO  44           HA       PRO  44 -10.024  -3.372   4.272
  270   1HB   PRO  44          2HB       PRO  44 -11.542  -4.022   6.431
  271   2HB   PRO  44          3HB       PRO  44 -11.925  -4.637   4.799
  272   1HG   PRO  44          2HG       PRO  44 -10.411  -6.054   6.999
  273   2HG   PRO  44          3HG       PRO  44 -11.753  -6.694   6.014
  274   1HD   PRO  44          2HD       PRO  44  -9.101  -7.186   5.457
  275   2HD   PRO  44          3HD       PRO  44 -10.349  -7.038   4.185
  276    H    CYS  45           H        CYS  45  -9.987  -1.807   6.019
  277    HA   CYS  45           HA       CYS  45  -7.396  -1.744   7.380
  278   1HB   CYS  45          2HB       CYS  45  -8.164   0.157   6.094
  279   2HB   CYS  45          3HB       CYS  45  -9.641   0.252   7.045
  280    H    LYS  46           H        LYS  46 -10.524  -2.753   8.275
  281    HA   LYS  46           HA       LYS  46 -11.299  -3.633  10.164
  282   1HB   LYS  46          2HB       LYS  46  -8.707  -3.082  11.596
  283   2HB   LYS  46          3HB       LYS  46  -9.975  -4.228  12.007
  284   1HG   LYS  46          2HG       LYS  46  -8.274  -4.348   9.501
  285   2HG   LYS  46          3HG       LYS  46  -7.972  -5.268  10.984
  286   1HD   LYS  46          2HD       LYS  46 -10.252  -6.333  10.711
  287   2HD   LYS  46          3HD       LYS  46 -10.393  -5.508   9.154
  288   1HE   LYS  46          2HE       LYS  46  -8.371  -7.641   9.975
  289   2HE   LYS  46          3HE       LYS  46  -9.616  -7.756   8.722
  290   1HZ   LYS  46          2HZ       LYS  46  -8.365  -5.977   7.545
  291   2HZ   LYS  46          3HZ       LYS  46  -7.190  -6.102   8.680
  292   3HZ   LYS  46          1HZ       LYS  46  -7.531  -7.392   7.719
  293    H    GLU  47           H        GLU  47  -9.443  -0.678  10.900
  294    HA   GLU  47           HA       GLU  47 -10.445   0.146  13.270
  295   1HB   GLU  47          2HB       GLU  47  -9.890   1.869  10.823
  296   2HB   GLU  47          3HB       GLU  47 -10.109   2.497  12.462
  297   1HG   GLU  47          2HG       GLU  47  -8.165   1.162  13.243
  298   2HG   GLU  47          3HG       GLU  47  -7.925   0.534  11.605
  299    H    GLU  48           H        GLU  48 -12.163   1.197  14.149
  300    HA   GLU  48           HA       GLU  48 -14.746   0.780  13.131
  301   1HB   GLU  48          2HB       GLU  48 -13.724   2.811  15.179
  302   2HB   GLU  48          3HB       GLU  48 -15.424   2.490  14.847
  303   1HG   GLU  48          2HG       GLU  48 -14.869   1.239  16.793
  304   2HG   GLU  48          3HG       GLU  48 -15.115   0.094  15.472
  305    H    GLY  49           H        GLY  49 -15.979   1.872  11.665
  306   1HA   GLY  49          2HA       GLY  49 -16.722   3.565  10.279
  307   2HA   GLY  49          3HA       GLY  49 -15.578   4.698  11.017
  308    H    CYS  50           H        CYS  50 -13.153   3.930  10.572
  309    HA   CYS  50           HA       CYS  50 -12.822   3.899   7.653
  310   1HB   CYS  50          2HB       CYS  50 -11.499   5.380   9.080
  311   2HB   CYS  50          3HB       CYS  50 -10.764   3.992   9.885
  312    H    GLU  51           H        GLU  51 -14.077   1.676   7.983
  313    HA   GLU  51           HA       GLU  51 -12.360  -0.606   8.582
  314   1HB   GLU  51          2HB       GLU  51 -14.786  -0.565   9.037
  315   2HB   GLU  51          3HB       GLU  51 -15.106  -0.459   7.292
  316   1HG   GLU  51          2HG       GLU  51 -14.043  -2.651   6.945
  317   2HG   GLU  51          3HG       GLU  51 -13.575  -2.713   8.656
  318    H    LYS  52           H        LYS  52 -13.313   1.274   5.792
  319    HA   LYS  52           HA       LYS  52 -13.020   1.115   3.545
  320   1HB   LYS  52          2HB       LYS  52 -10.353   0.424   4.708
  321   2HB   LYS  52          3HB       LYS  52 -10.562   1.119   3.069
  322   1HG   LYS  52          2HG       LYS  52 -11.218   2.475   5.718
  323   2HG   LYS  52          3HG       LYS  52  -9.760   2.733   4.774
  324   1HD   LYS  52          2HD       LYS  52 -11.020   3.677   2.915
  325   2HD   LYS  52          3HD       LYS  52 -12.569   3.288   3.691
  326   1HE   LYS  52          2HE       LYS  52 -12.069   4.790   5.564
  327   2HE   LYS  52          3HE       LYS  52 -10.491   5.186   4.856
  328   1HZ   LYS  52          1HZ       LYS  52 -13.082   5.702   3.571
  329   2HZ   LYS  52          2HZ       LYS  52 -12.200   6.812   4.411
  330   3HZ   LYS  52          3HZ       LYS  52 -11.588   6.163   3.031
  331    H    GLY  53           H        GLY  53 -10.848  -0.622   2.324
  332   1HA   GLY  53          2HA       GLY  53 -11.424  -3.377   2.575
  333   2HA   GLY  53          3HA       GLY  53 -12.608  -2.685   1.472
  334    H    PHE  54           H        PHE  54  -9.070  -3.043   2.066
  335    HA   PHE  54           HA       PHE  54  -8.542  -2.277  -0.750
  336   1HB   PHE  54          2HB       PHE  54  -6.714  -2.646   1.619
  337   2HB   PHE  54          3HB       PHE  54  -6.167  -2.438  -0.028
  338    HD1  PHE  54           HD1      PHE  54  -7.956  -0.764   2.773
  339    HD2  PHE  54           HD2      PHE  54  -6.443  -0.311  -1.240
  340    HE1  PHE  54           HE1      PHE  54  -8.322   1.684   2.894
  341    HE2  PHE  54           HE2      PHE  54  -6.752   2.123  -1.087
  342    HZ   PHE  54           HZ       PHE  54  -7.811   3.122   0.941
  343    H    THR  55           H        THR  55  -7.379  -3.729  -2.154
  344    HA   THR  55           HA       THR  55  -8.243  -6.500  -1.783
  345    HB   THR  55           HB       THR  55  -7.370  -6.431  -4.239
  346    HG1  THR  55          1HG       THR  55  -7.579  -4.183  -4.976
  347   1HG2  THR  55          3HG2      THR  55  -9.766  -6.540  -3.576
  348   2HG2  THR  55          1HG2      THR  55  -9.786  -4.782  -3.342
  349   3HG2  THR  55          2HG2      THR  55  -9.534  -5.468  -4.962
  350    H    SER  56           H        SER  56  -5.284  -4.879  -1.100
  351    HA   SER  56           HA       SER  56  -3.984  -7.496  -0.963
  352   1HB   SER  56          2HB       SER  56  -2.215  -7.137  -2.360
  353   2HB   SER  56          3HB       SER  56  -3.500  -6.358  -3.277
  354    HG   SER  56           HG       SER  56  -1.727  -4.999  -3.164
  355    H    LEU  57           H        LEU  57  -1.977  -7.354   0.317
  356    HA   LEU  57           HA       LEU  57  -2.416  -5.789   2.645
  357   1HB   LEU  57          2HB       LEU  57  -1.240  -7.969   2.653
  358   2HB   LEU  57          3HB       LEU  57   0.074  -7.279   1.698
  359    HG   LEU  57           HG       LEU  57   0.653  -5.767   3.553
  360   1HD1  LEU  57          2HD1      LEU  57  -1.670  -7.105   5.015
  361   2HD1  LEU  57          3HD1      LEU  57  -0.419  -6.121   5.801
  362   3HD1  LEU  57          1HD1      LEU  57  -1.511  -5.374   4.637
  363   1HD2  LEU  57          3HD2      LEU  57   1.656  -8.018   3.428
  364   2HD2  LEU  57          1HD2      LEU  57   1.483  -7.478   5.107
  365   3HD2  LEU  57          2HD2      LEU  57   0.343  -8.665   4.437
  366    H    HIS  58           H        HIS  58  -0.271  -5.451  -0.205
  367    HA   HIS  58           HA       HIS  58   1.053  -3.133   0.864
  368   1HB   HIS  58          2HB       HIS  58   1.993  -2.857  -1.377
  369   2HB   HIS  58          3HB       HIS  58   2.232  -4.429  -0.569
  370    HD1  HIS  58           HD1      HIS  58   1.741  -6.502  -1.937
  371    HD2  HIS  58           HD2      HIS  58   0.050  -2.967  -3.433
  372    HE1  HIS  58           HE1      HIS  58   0.611  -7.119  -4.113
  373    H    HIS  59           H        HIS  59  -1.842  -3.569  -1.245
  374    HA   HIS  59           HA       HIS  59  -2.239  -0.797  -1.806
  375   1HB   HIS  59          2HB       HIS  59  -4.324  -2.938  -1.266
  376   2HB   HIS  59          3HB       HIS  59  -4.615  -1.356  -2.003
  377    HD1  HIS  59           HD1      HIS  59  -5.459  -3.923  -3.608
  378    HD2  HIS  59           HD2      HIS  59  -1.791  -1.847  -3.920
  379    HE1  HIS  59           HE1      HIS  59  -4.435  -4.573  -5.847
  380    HE2  HIS  59           HE2      HIS  59  -2.226  -3.324  -6.051
  381    H    LEU  60           H        LEU  60  -3.237  -2.879   0.954
  382    HA   LEU  60           HA       LEU  60  -4.450  -0.790   2.425
  383   1HB   LEU  60          2HB       LEU  60  -4.777  -3.236   2.828
  384   2HB   LEU  60          3HB       LEU  60  -3.136  -3.335   3.468
  385    HG   LEU  60           HG       LEU  60  -3.759  -1.740   5.286
  386   1HD1  LEU  60          2HD1      LEU  60  -6.580  -2.051   4.151
  387   2HD1  LEU  60          3HD1      LEU  60  -6.139  -1.267   5.682
  388   3HD1  LEU  60          1HD1      LEU  60  -5.644  -0.541   4.169
  389   1HD2  LEU  60          3HD2      LEU  60  -3.875  -4.198   5.597
  390   2HD2  LEU  60          1HD2      LEU  60  -5.104  -3.347   6.554
  391   3HD2  LEU  60          2HD2      LEU  60  -5.569  -4.178   5.059
  392    H    THR  61           H        THR  61  -1.069  -1.919   2.294
  393    HA   THR  61           HA       THR  61  -0.094  -0.408   4.490
  394    HB   THR  61           HB       THR  61   1.436  -1.200   1.996
  395    HG1  THR  61          1HG       THR  61   0.356  -2.916   3.257
  396   1HG2  THR  61          1HG2      THR  61   2.371  -0.521   4.813
  397   2HG2  THR  61          2HG2      THR  61   3.388  -1.170   3.513
  398   3HG2  THR  61          3HG2      THR  61   2.675   0.443   3.349
  399    H    ARG  62           H        ARG  62  -0.292   0.470   0.952
  400    HA   ARG  62           HA       ARG  62   0.805   3.066   1.444
  401   1HB   ARG  62          2HB       ARG  62  -0.073   3.817  -0.673
  402   2HB   ARG  62          3HB       ARG  62   0.877   2.327  -0.767
  403   1HG   ARG  62          2HG       ARG  62  -1.124   0.999  -0.975
  404   2HG   ARG  62          3HG       ARG  62  -2.167   2.428  -0.784
  405   1HD   ARG  62          2HD       ARG  62  -1.360   3.345  -2.903
  406   2HD   ARG  62          3HD       ARG  62  -0.106   2.103  -3.000
  407    HE   ARG  62           HE       ARG  62  -1.601   0.656  -3.920
  408   1HH1  ARG  62          2HH1      ARG  62  -3.506   3.232  -2.354
  409   2HH1  ARG  62          1HH1      ARG  62  -4.997   2.612  -3.059
  410   1HH2  ARG  62          2HH2      ARG  62  -3.603  -0.174  -4.560
  411   2HH2  ARG  62          1HH2      ARG  62  -5.063   0.680  -4.129
  412    H    HIS  63           H        HIS  63  -2.601   1.872   1.572
  413    HA   HIS  63           HA       HIS  63  -3.784   4.408   2.140
  414   1HB   HIS  63          2HB       HIS  63  -5.201   2.553   1.717
  415   2HB   HIS  63          3HB       HIS  63  -4.527   1.600   3.031
  416    HD1  HIS  63           HD1      HIS  63  -6.290   5.078   2.905
  417    HD2  HIS  63           HD2      HIS  63  -5.882   1.608   5.248
  418    HE1  HIS  63           HE1      HIS  63  -7.617   5.473   5.038
  419    H    SER  64           H        SER  64  -2.205   2.035   4.305
  420    HA   SER  64           HA       SER  64  -2.677   3.354   6.737
  421   1HB   SER  64          2HB       SER  64  -0.222   1.695   6.088
  422   2HB   SER  64          3HB       SER  64  -0.909   2.052   7.675
  423    HG   SER  64           HG       SER  64  -2.266   0.636   5.600
  424    H    LEU  65           H        LEU  65  -0.541   4.406   4.154
  425    HA   LEU  65           HA       LEU  65   1.287   5.944   5.729
  426   1HB   LEU  65          2HB       LEU  65   0.210   6.564   2.973
  427   2HB   LEU  65          3HB       LEU  65   1.622   7.294   3.728
  428    HG   LEU  65           HG       LEU  65   1.409   4.322   3.148
  429   1HD1  LEU  65          3HD1      LEU  65   1.374   5.742   1.071
  430   2HD1  LEU  65          1HD1      LEU  65   2.855   6.531   1.649
  431   3HD1  LEU  65          2HD1      LEU  65   2.878   4.807   1.215
  432   1HD2  LEU  65          3HD2      LEU  65   3.799   6.054   3.868
  433   2HD2  LEU  65          1HD2      LEU  65   3.047   4.824   4.921
  434   3HD2  LEU  65          2HD2      LEU  65   3.856   4.339   3.429
  435    H    THR  66           H        THR  66  -2.112   6.456   4.775
  436    HA   THR  66           HA       THR  66  -2.151   9.259   5.405
  437    HB   THR  66           HB       THR  66  -4.539   9.103   5.339
  438    HG1  THR  66          1HG       THR  66  -4.252   6.282   5.197
  439   1HG2  THR  66          2HG2      THR  66  -3.274   9.011   3.173
  440   2HG2  THR  66          3HG2      THR  66  -3.404   7.243   3.189
  441   3HG2  THR  66          1HG2      THR  66  -4.867   8.236   3.098
  442    H    HIS  67           H        HIS  67  -2.594   6.327   7.372
  443    HA   HIS  67           HA       HIS  67  -3.468   7.808   9.743
  444   1HB   HIS  67          2HB       HIS  67  -2.565   4.929   9.297
  445   2HB   HIS  67          3HB       HIS  67  -3.051   5.582  10.861
  446    HD1  HIS  67           HD1      HIS  67  -5.680   6.530  10.972
  447    HD2  HIS  67           HD2      HIS  67  -4.538   3.940   7.855
  448    HE1  HIS  67           HE1      HIS  67  -7.827   5.541  10.013
  449    H    THR  68           H        THR  68  -0.504   6.064   8.731
  450    HA   THR  68           HA       THR  68   0.985   6.797  11.083
  451    HB   THR  68           HB       THR  68   2.939   5.969   9.774
  452    HG1  THR  68          1HG       THR  68   1.012   5.421   7.761
  453   1HG2  THR  68          1HG2      THR  68   1.531   4.376  11.036
  454   2HG2  THR  68          2HG2      THR  68   0.473   4.171   9.623
  455   3HG2  THR  68          3HG2      THR  68   2.166   3.651   9.546
  456    H    GLY  69           H        GLY  69   0.424   8.438   8.004
  457   1HA   GLY  69          2HA       GLY  69   0.820  10.609   7.432
  458   2HA   GLY  69          3HA       GLY  69   1.584  10.906   9.001
  459    H    GLU  70           H        GLU  70   2.670   8.202   7.030
  460    HA   GLU  70           HA       GLU  70   5.340   9.365   6.858
  461   1HB   GLU  70          2HB       GLU  70   4.159   6.706   6.032
  462   2HB   GLU  70          3HB       GLU  70   5.872   7.077   5.848
  463   1HG   GLU  70          2HG       GLU  70   4.355   7.156   8.488
  464   2HG   GLU  70          3HG       GLU  70   5.316   5.788   7.921
  465    H    LYS  71           H        LYS  71   4.021  11.075   5.594
  466    HA   LYS  71           HA       LYS  71   3.702  10.782   2.714
  467   1HB   LYS  71          2HB       LYS  71   2.335  12.143   4.275
  468   2HB   LYS  71          3HB       LYS  71   3.761  13.096   4.683
  469   1HG   LYS  71          2HG       LYS  71   3.785  13.991   2.337
  470   2HG   LYS  71          3HG       LYS  71   2.298  13.065   2.015
  471   1HD   LYS  71          2HD       LYS  71   1.247  14.182   4.041
  472   2HD   LYS  71          3HD       LYS  71   2.700  15.173   4.213
  473   1HE   LYS  71          2HE       LYS  71   0.813  15.156   1.827
  474   2HE   LYS  71          3HE       LYS  71   0.833  16.364   3.115
  475   1HZ   LYS  71          1HZ       LYS  71   3.081  16.921   2.495
  476   2HZ   LYS  71          2HZ       LYS  71   3.031  15.862   1.228
  477   3HZ   LYS  71          3HZ       LYS  71   2.023  17.155   1.252
  478    H    ASN  72           H        ASN  72   6.036   9.845   2.720
  479    HA   ASN  72           HA       ASN  72   8.151  11.956   2.833
  480   1HB   ASN  72          2HB       ASN  72   8.372   8.932   2.806
  481   2HB   ASN  72          3HB       ASN  72   9.720  10.054   2.964
  482   1HD2  ASN  72          1HD2      ASN  72   7.572   9.045   6.256
  483   2HD2  ASN  72          2HD2      ASN  72   7.123   8.477   4.652
  484    H    PHE  73           H        PHE  73   6.398  10.596   0.264
  485    HA   PHE  73           HA       PHE  73   8.738  10.057  -1.386
  486   1HB   PHE  73          2HB       PHE  73   5.818  10.332  -2.127
  487   2HB   PHE  73          3HB       PHE  73   7.116   9.859  -3.220
  488    HD1  PHE  73           HD1      PHE  73   8.672   7.901  -2.464
  489    HD2  PHE  73           HD2      PHE  73   4.874   8.708  -0.626
  490    HE1  PHE  73           HE1      PHE  73   8.750   5.704  -1.359
  491    HE2  PHE  73           HE2      PHE  73   4.901   6.472   0.430
  492    HZ   PHE  73           HZ       PHE  73   6.856   4.965   0.099
  493    H    THR  74           H        THR  74   9.929  11.806  -1.111
  494    HA   THR  74           HA       THR  74   9.162  14.497  -1.745
  495    HB   THR  74           HB       THR  74  11.892  13.264  -1.314
  496    HG1  THR  74          1HG       THR  74  10.368  12.875   0.412
  497   1HG2  THR  74          1HG2      THR  74  10.875  16.125  -0.999
  498   2HG2  THR  74          2HG2      THR  74  12.480  15.541  -0.515
  499   3HG2  THR  74          3HG2      THR  74  12.028  15.547  -2.227
  500    H    CYS  75           H        CYS  75   8.995  15.346  -3.748
  501    HA   CYS  75           HA       CYS  75   9.867  14.073  -6.163
  502   1HB   CYS  75          2HB       CYS  75   8.115  15.630  -6.336
  503   2HB   CYS  75          3HB       CYS  75   8.987  16.878  -5.427
  504    H    ASP  76           H        ASP  76  11.934  13.839  -6.844
  505    HA   ASP  76           HA       ASP  76  14.125  15.238  -5.556
  506   1HB   ASP  76          2HB       ASP  76  15.523  13.858  -6.990
  507   2HB   ASP  76          3HB       ASP  76  14.314  12.905  -6.120
  508    H    SER  77           H        SER  77  13.082  17.353  -6.188
  509    HA   SER  77           HA       SER  77  14.426  18.403  -8.622
  510   1HB   SER  77          2HB       SER  77  12.044  17.828  -9.195
  511   2HB   SER  77          3HB       SER  77  11.517  18.951  -7.921
  512    HG   SER  77           HG       SER  77  11.596  19.870 -10.048
  513    H    ASP  78           H        ASP  78  15.742  19.942  -7.795
  514    HA   ASP  78           HA       ASP  78  15.768  20.889  -5.196
  515   1HB   ASP  78          2HB       ASP  78  16.724  22.317  -7.716
  516   2HB   ASP  78          3HB       ASP  78  17.207  22.724  -6.064
  517    H    GLY  79           H        GLY  79  14.657  22.418  -4.041
  518   1HA   GLY  79          2HA       GLY  79  13.375  24.314  -3.621
  519   2HA   GLY  79          3HA       GLY  79  13.224  24.643  -5.356
  520    H    CYS  80           H        CYS  80  12.167  22.470  -6.447
  521    HA   CYS  80           HA       CYS  80   9.423  22.305  -5.413
  522   1HB   CYS  80          2HB       CYS  80   9.846  22.590  -7.763
  523   2HB   CYS  80          3HB       CYS  80  10.884  21.175  -7.824
  524    H    ASP  81           H        ASP  81  11.118  21.327  -3.467
  525    HA   ASP  81           HA       ASP  81  11.278  18.389  -3.660
  526   1HB   ASP  81          2HB       ASP  81  11.972  20.298  -1.413
  527   2HB   ASP  81          3HB       ASP  81  12.277  18.556  -1.426
  528    H    LEU  82           H        LEU  82   8.741  18.966  -4.110
  529    HA   LEU  82           HA       LEU  82   7.115  19.207  -1.719
  530   1HB   LEU  82          2HB       LEU  82   6.549  18.397  -4.583
  531   2HB   LEU  82          3HB       LEU  82   5.280  18.404  -3.345
  532    HG   LEU  82           HG       LEU  82   6.932  20.836  -4.162
  533   1HD1  LEU  82          1HD1      LEU  82   5.517  19.992  -6.014
  534   2HD1  LEU  82          2HD1      LEU  82   4.102  20.000  -4.936
  535   3HD1  LEU  82          3HD1      LEU  82   4.894  21.526  -5.384
  536   1HD2  LEU  82          2HD2      LEU  82   4.402  20.544  -2.463
  537   2HD2  LEU  82          3HD2      LEU  82   5.991  21.097  -1.887
  538   3HD2  LEU  82          1HD2      LEU  82   5.075  22.086  -3.024
  539    H    ARG  83           H        ARG  83   6.284  17.663  -0.431
  540    HA   ARG  83           HA       ARG  83   7.274  14.878  -0.716
  541   1HB   ARG  83          2HB       ARG  83   6.112  16.453   1.600
  542   2HB   ARG  83          3HB       ARG  83   6.630  14.766   1.680
  543   1HG   ARG  83          2HG       ARG  83   8.910  15.326   1.082
  544   2HG   ARG  83          3HG       ARG  83   8.501  17.029   0.865
  545   1HD   ARG  83          2HD       ARG  83   9.572  16.680   3.046
  546   2HD   ARG  83          3HD       ARG  83   7.911  17.266   3.193
  547    HE   ARG  83           HE       ARG  83   7.283  15.373   4.269
  548   1HH1  ARG  83          1HH1      ARG  83  10.262  14.540   2.533
  549   2HH1  ARG  83          2HH1      ARG  83  10.607  13.168   3.547
  550   1HH2  ARG  83          1HH2      ARG  83   7.673  13.554   5.498
  551   2HH2  ARG  83          2HH2      ARG  83   9.040  12.515   5.207
  552    H    PHE  84           H        PHE  84   5.916  13.379  -1.481
  553    HA   PHE  84           HA       PHE  84   3.002  13.962  -1.500
  554   1HB   PHE  84          2HB       PHE  84   4.696  12.198  -3.281
  555   2HB   PHE  84          3HB       PHE  84   2.952  12.339  -3.401
  556    HD1  PHE  84           HD2      PHE  84   6.174  14.164  -3.897
  557    HD2  PHE  84           HD1      PHE  84   1.899  14.258  -4.489
  558    HE1  PHE  84           HE2      PHE  84   6.389  16.269  -5.112
  559    HE2  PHE  84           HE1      PHE  84   2.159  16.365  -5.764
  560    HZ   PHE  84           HZ       PHE  84   4.363  17.480  -5.895
  561    H    THR  85           H        THR  85   1.528  12.177  -1.347
  562    HA   THR  85           HA       THR  85   1.977  10.524   0.970
  563    HB   THR  85           HB       THR  85  -0.334   9.625  -0.014
  564    HG1  THR  85          1HG       THR  85  -0.542  12.164  -1.118
  565   1HG2  THR  85          2HG2      THR  85  -0.041  11.005   2.034
  566   2HG2  THR  85          3HG2      THR  85  -0.075  12.475   1.037
  567   3HG2  THR  85          1HG2      THR  85  -1.495  11.397   1.118
  568    H    THR  86           H        THR  86   1.502   9.697  -2.526
  569    HA   THR  86           HA       THR  86   2.741   7.038  -1.898
  570    HB   THR  86           HB       THR  86   1.339   6.078  -3.596
  571    HG1  THR  86          1HG       THR  86  -0.373   7.628  -4.422
  572   1HG2  THR  86          3HG2      THR  86   0.350   6.341  -1.298
  573   2HG2  THR  86          1HG2      THR  86  -0.475   7.812  -1.864
  574   3HG2  THR  86          2HG2      THR  86  -0.852   6.240  -2.594
  575    H    LYS  87           H        LYS  87   3.996   6.085  -3.582
  576    HA   LYS  87           HA       LYS  87   5.754   7.858  -4.937
  577   1HB   LYS  87          2HB       LYS  87   5.104   4.905  -5.387
  578   2HB   LYS  87          3HB       LYS  87   6.376   5.793  -6.257
  579   1HG   LYS  87          2HG       LYS  87   7.506   6.368  -4.228
  580   2HG   LYS  87          3HG       LYS  87   6.261   5.606  -3.224
  581   1HD   LYS  87          2HD       LYS  87   7.948   4.080  -5.263
  582   2HD   LYS  87          3HD       LYS  87   8.448   4.331  -3.587
  583   1HE   LYS  87          2HE       LYS  87   6.341   3.248  -2.790
  584   2HE   LYS  87          3HE       LYS  87   5.931   2.858  -4.472
  585   1HZ   LYS  87          3HZ       LYS  87   8.354   1.990  -3.046
  586   2HZ   LYS  87          1HZ       LYS  87   7.026   1.061  -3.329
  587   3HZ   LYS  87          2HZ       LYS  87   7.959   1.582  -4.586
  588    H    ALA  88           H        ALA  88   2.749   6.178  -5.955
  589    HA   ALA  88           HA       ALA  88   2.969   7.001  -8.683
  590   1HB   ALA  88          2HB       ALA  88   1.680   5.141  -7.930
  591   2HB   ALA  88          1HB       ALA  88   0.472   6.216  -7.166
  592   3HB   ALA  88          3HB       ALA  88   0.717   6.248  -8.938
  593    H    ASN  89           H        ASN  89   1.464   8.606  -5.798
  594    HA   ASN  89           HA       ASN  89   0.341  10.774  -7.346
  595   1HB   ASN  89          2HB       ASN  89   1.188  10.602  -4.426
  596   2HB   ASN  89          3HB       ASN  89   0.431  12.024  -5.154
  597   1HD2  ASN  89          1HD2      ASN  89  -2.321   9.994  -3.639
  598   2HD2  ASN  89          2HD2      ASN  89  -0.870  10.742  -2.964
  599    H    MET  90           H        MET  90   3.515  10.267  -5.759
  600    HA   MET  90           HA       MET  90   4.700  12.759  -6.442
  601   1HB   MET  90          2HB       MET  90   5.727  11.100  -4.905
  602   2HB   MET  90          3HB       MET  90   5.951   9.996  -6.249
  603   1HG   MET  90          2HG       MET  90   7.456  11.692  -7.344
  604   2HG   MET  90          3HG       MET  90   7.306  12.670  -5.881
  605   1HE   MET  90          1HE       MET  90   8.491   9.254  -7.446
  606   2HE   MET  90          2HE       MET  90   9.430   8.546  -6.106
  607   3HE   MET  90          3HE       MET  90   7.672   8.607  -6.003
  608    H    LYS  91           H        LYS  91   4.530   9.669  -8.294
  609    HA   LYS  91           HA       LYS  91   5.919  10.630 -10.590
  610   1HB   LYS  91          2HB       LYS  91   3.856   8.428 -10.300
  611   2HB   LYS  91          3HB       LYS  91   4.735   8.752 -11.789
  612   1HG   LYS  91          2HG       LYS  91   6.065   7.974  -9.150
  613   2HG   LYS  91          3HG       LYS  91   5.690   6.895 -10.498
  614   1HD   LYS  91          2HD       LYS  91   7.162   8.470 -11.936
  615   2HD   LYS  91          3HD       LYS  91   7.689   9.190 -10.390
  616   1HE   LYS  91          2HE       LYS  91   8.396   6.944  -9.595
  617   2HE   LYS  91          3HE       LYS  91   7.892   6.242 -11.151
  618   1HZ   LYS  91          1HZ       LYS  91   9.511   7.621 -12.227
  619   2HZ   LYS  91          2HZ       LYS  91   9.984   8.268 -10.787
  620   3HZ   LYS  91          3HZ       LYS  91  10.222   6.666 -11.088
  621    H    LYS  92           H        LYS  92   2.357  10.583  -9.937
  622    HA   LYS  92           HA       LYS  92   1.541  11.724 -12.395
  623   1HB   LYS  92          2HB       LYS  92   0.412  12.076  -9.575
  624   2HB   LYS  92          3HB       LYS  92  -0.292  12.810 -11.021
  625   1HG   LYS  92          2HG       LYS  92  -0.707  10.622 -12.019
  626   2HG   LYS  92          3HG       LYS  92   0.105   9.818 -10.669
  627   1HD   LYS  92          2HD       LYS  92  -2.327   9.673 -10.412
  628   2HD   LYS  92          3HD       LYS  92  -1.629  10.609  -9.101
  629   1HE   LYS  92          2HE       LYS  92  -2.324  12.737 -10.290
  630   2HE   LYS  92          3HE       LYS  92  -3.084  11.725 -11.540
  631   1HZ   LYS  92          1HZ       LYS  92  -4.458  10.822  -9.770
  632   2HZ   LYS  92          2HZ       LYS  92  -3.763  11.832  -8.679
  633   3HZ   LYS  92          3HZ       LYS  92  -4.636  12.460  -9.918
  634    H    HIS  93           H        HIS  93   2.517  13.386  -9.343
  635    HA   HIS  93           HA       HIS  93   2.341  16.036 -10.364
  636   1HB   HIS  93          2HB       HIS  93   2.602  15.857  -8.056
  637   2HB   HIS  93          3HB       HIS  93   3.966  14.743  -8.167
  638    HD1  HIS  93           HD1      HIS  93   3.293  18.503  -8.872
  639    HD2  HIS  93           HD2      HIS  93   6.398  15.704  -8.404
  640    HE1  HIS  93           HE1      HIS  93   5.479  19.816  -8.908
  641    H    PHE  94           H        PHE  94   5.194  13.869 -10.211
  642    HA   PHE  94           HA       PHE  94   7.019  15.593 -11.418
  643   1HB   PHE  94          2HB       PHE  94   7.359  13.304 -10.265
  644   2HB   PHE  94          3HB       PHE  94   7.054  12.582 -11.839
  645    HD1  PHE  94           HD1      PHE  94   8.625  13.310 -13.806
  646    HD2  PHE  94           HD2      PHE  94   9.481  14.127  -9.650
  647    HE1  PHE  94           HE1      PHE  94  10.983  13.798 -14.377
  648    HE2  PHE  94           HE2      PHE  94  11.842  14.591 -10.234
  649    HZ   PHE  94           HZ       PHE  94  12.592  14.448 -12.594
  650    H    ASN  95           H        ASN  95   4.762  13.310 -12.898
  651    HA   ASN  95           HA       ASN  95   5.576  13.611 -15.600
  652   1HB   ASN  95          2HB       ASN  95   3.075  12.638 -14.223
  653   2HB   ASN  95          3HB       ASN  95   3.013  12.981 -15.946
  654   1HD2  ASN  95          1HD2      ASN  95   4.972   9.656 -14.628
  655   2HD2  ASN  95          2HD2      ASN  95   4.333  10.847 -13.492
  656    H    ARG  96           H        ARG  96   2.852  15.050 -13.829
  657    HA   ARG  96           HA       ARG  96   1.951  16.817 -15.770
  658   1HB   ARG  96          2HB       ARG  96   0.803  16.036 -13.679
  659   2HB   ARG  96          3HB       ARG  96   1.800  17.159 -12.755
  660   1HG   ARG  96          2HG       ARG  96   0.828  19.012 -14.244
  661   2HG   ARG  96          3HG       ARG  96  -0.270  17.795 -14.907
  662   1HD   ARG  96          2HD       ARG  96  -0.071  18.692 -11.992
  663   2HD   ARG  96          3HD       ARG  96  -1.311  19.145 -13.136
  664    HE   ARG  96           HE       ARG  96  -2.253  16.998 -13.138
  665   1HH1  ARG  96          1HH1      ARG  96   0.400  17.109 -10.805
  666   2HH1  ARG  96          2HH1      ARG  96  -0.390  16.068  -9.658
  667   1HH2  ARG  96          2HH2      ARG  96  -3.331  15.726 -11.593
  668   2HH2  ARG  96          1HH2      ARG  96  -2.641  15.417 -10.026
  669    H    PHE  97           H        PHE  97   4.433  17.436 -13.260
  670    HA   PHE  97           HA       PHE  97   4.707  20.257 -14.107
  671   1HB   PHE  97          2HB       PHE  97   5.763  18.633 -11.788
  672   2HB   PHE  97          3HB       PHE  97   6.441  20.189 -12.215
  673    HD1  PHE  97           HD2      PHE  97   2.972  18.802 -11.771
  674    HD2  PHE  97           HD1      PHE  97   5.736  22.020 -11.005
  675    HE1  PHE  97           HE2      PHE  97   1.213  20.056 -10.588
  676    HE2  PHE  97           HE1      PHE  97   4.019  23.164  -9.640
  677    HZ   PHE  97           HZ       PHE  97   1.755  22.161  -9.394
  678    H    HIS  98           H        HIS  98   6.599  17.243 -14.475
  679    HA   HIS  98           HA       HIS  98   8.812  18.917 -15.637
  680   1HB   HIS  98          2HB       HIS  98   9.148  16.338 -14.108
  681   2HB   HIS  98          3HB       HIS  98  10.397  17.445 -14.675
  682    HD1  HIS  98           HD1      HIS  98   9.228  20.179 -13.553
  683    HD2  HIS  98           HD2      HIS  98   9.094  16.507 -11.527
  684    HE1  HIS  98           HE1      HIS  98   8.847  20.717 -11.087
  685    H    ASN  99           H        ASN  99   7.220  15.663 -15.829
  686    HA   ASN  99           HA       ASN  99   8.908  15.019 -18.086
  687   1HB   ASN  99          2HB       ASN  99   7.681  13.393 -16.497
  688   2HB   ASN  99          3HB       ASN  99   6.311  13.582 -17.623
  689   1HD2  ASN  99          1HD2      ASN  99   8.565  12.175 -20.332
  690   2HD2  ASN  99          2HD2      ASN  99   7.869  13.772 -20.132
  691    H    ILE 100           H        ILE 100   5.444  16.117 -17.915
  692    HA   ILE 100           HA       ILE 100   5.300  16.063 -20.851
  693    HB   ILE 100           HB       ILE 100   3.132  16.937 -20.703
  694   1HG1  ILE 100          2HG1      ILE 100   3.597  17.503 -17.753
  695   2HG1  ILE 100          3HG1      ILE 100   3.367  18.691 -19.038
  696   1HG2  ILE 100          3HG2      ILE 100   3.595  14.532 -20.123
  697   2HG2  ILE 100          1HG2      ILE 100   3.427  14.958 -18.410
  698   3HG2  ILE 100          2HG2      ILE 100   2.057  15.146 -19.521
  699   1HD1  ILE 100          3HD1      ILE 100   1.090  17.806 -19.468
  700   2HD1  ILE 100          1HD1      ILE 100   1.274  16.712 -18.077
  701   3HD1  ILE 100          2HD1      ILE 100   1.302  18.462 -17.833
  702    H    LYS 101           H        LYS 101   6.026  18.438 -18.340
  703    HA   LYS 101           HA       LYS 101   6.066  20.726 -20.141
  704   1HB   LYS 101          2HB       LYS 101   7.346  20.295 -17.411
  705   2HB   LYS 101          3HB       LYS 101   7.172  21.850 -18.227
  706   1HG   LYS 101          2HG       LYS 101   4.862  20.088 -17.270
  707   2HG   LYS 101          3HG       LYS 101   5.494  21.526 -16.463
  708   1HD   LYS 101          2HD       LYS 101   4.950  22.874 -18.524
  709   2HD   LYS 101          3HD       LYS 101   4.124  21.455 -19.193
  710   1HE   LYS 101          2HE       LYS 101   3.421  22.816 -16.546
  711   2HE   LYS 101          3HE       LYS 101   2.575  23.062 -18.082
  712   1HZ   LYS 101          3HZ       LYS 101   2.017  20.742 -18.088
  713   2HZ   LYS 101          1HZ       LYS 101   2.781  20.504 -16.647
  714   3HZ   LYS 101          2HZ       LYS 101   1.458  21.479 -16.725
  715   1H5*    T   1          1H5*        T   1  -4.618  23.576 -16.327
  716   2H5*    T   1          2H5*        T   1  -2.963  22.924 -16.356
  717    H4*    T   1           H4*        T   1  -3.713  23.975 -14.136
  718    H3*    T   1           H3*        T   1  -2.307  21.453 -14.510
  719   1H2*    T   1          1H2*        T   1  -3.957  20.229 -13.431
  720   2H2*    T   1          2H2*        T   1  -3.177  20.824 -11.942
  721    H1*    T   1           H1*        T   1  -4.637  22.786 -11.906
  722    H3     T   1           H3         T   1  -7.795  20.610  -9.408
  723   1H5M    T   1          1H5M        T   1  -8.063  18.525 -14.364
  724   2H5M    T   1          2H5M        T   1  -9.250  18.153 -13.103
  725   3H5M    T   1          3H5M        T   1  -9.444  19.613 -14.090
  726    H6     T   1           H6         T   1  -6.486  20.365 -14.022
  727    H5T    T   1           H5T        T   1  -5.253  21.431 -15.662
  728   1H5*    T   2          1H5*        T   2  -2.133  22.899 -10.175
  729   2H5*    T   2          2H5*        T   2  -0.495  22.701  -9.533
  730    H4*    T   2           H4*        T   2  -1.977  21.700  -7.963
  731    H3*    T   2           H3*        T   2  -0.645  19.590  -9.682
  732   1H2*    T   2          1H2*        T   2  -2.070  18.065  -9.016
  733   2H2*    T   2          2H2*        T   2  -1.919  18.505  -7.285
  734    H1*    T   2           H1*        T   2  -3.601  20.055  -7.399
  735    H3     T   2           H3         T   2  -7.313  17.519  -7.792
  736   1H5M    T   2          1H5M        T   2  -5.029  17.811 -12.714
  737   2H5M    T   2          2H5M        T   2  -5.360  16.153 -12.145
  738   3H5M    T   2          3H5M        T   2  -6.695  17.257 -12.466
  739    H6     T   2           H6         T   2  -3.774  18.628 -10.841
  740   1H5*    G   3          1H5*        G   3  -0.135  19.658  -5.051
  741   2H5*    G   3          2H5*        G   3   1.289  18.753  -4.505
  742    H4*    G   3           H4*        G   3  -0.831  18.344  -3.230
  743    H3*    G   3           H3*        G   3   1.046  16.453  -3.685
  744   1H2*    G   3          1H2*        G   3  -0.044  15.664  -5.766
  745   2H2*    G   3          2H2*        G   3  -0.648  14.474  -4.579
  746    H1*    G   3           H1*        G   3  -2.570  15.853  -4.074
  747    H8     G   3           H8         G   3  -1.249  15.588  -7.716
  748    H1     G   3           H1         G   3  -7.553  14.630  -6.868
  749   1H2     G   3           H21        G   3  -8.015  14.993  -4.620
  750   2H2     G   3           H22        G   3  -6.751  15.574  -3.563
  751   1H5*    G   4          1H5*        G   4  -2.070  16.309  -0.412
  752   2H5*    G   4          2H5*        G   4  -1.591  15.388   1.022
  753    H4*    G   4           H4*        G   4  -4.058  15.573   0.738
  754    H3*    G   4           H3*        G   4  -2.707  13.245   1.384
  755   1H2*    G   4          1H2*        G   4  -2.804  12.309  -0.822
  756   2H2*    G   4          2H2*        G   4  -4.317  11.627  -0.169
  757    H1*    G   4           H1*        G   4  -5.614  13.437  -1.049
  758    H8     G   4           H8         G   4  -2.329  13.447  -3.178
  759    H1     G   4           H1         G   4  -7.558  11.288  -6.228
  760   1H2     G   4           H21        G   4  -9.201  10.912  -4.642
  761   2H2     G   4           H22        G   4  -8.978  11.519  -3.012
  762   1H5*    A   5          1H5*        A   5  -7.382  12.317   1.090
  763   2H5*    A   5          2H5*        A   5  -7.786  11.244   2.447
  764    H4*    A   5           H4*        A   5  -8.797  10.398   0.407
  765    H3*    A   5           H3*        A   5  -6.969   8.787   1.970
  766   1H2*    A   5          1H2*        A   5  -5.439   8.638   0.192
  767   2H2*    A   5          2H2*        A   5  -6.501   7.284  -0.298
  768    H1*    A   5           H1*        A   5  -7.901   8.793  -1.613
  769    H8     A   5           H8         A   5  -4.101   9.759  -1.482
  770   1H6     A   5           H61        A   5  -4.281   8.867  -7.607
  771   2H6     A   5           H62        A   5  -3.242   9.271  -6.245
  772    H2     A   5           H2         A   5  -8.294   7.918  -5.972
  773   1H5*    T   6          1H5*        T   6 -10.963   6.946  -0.009
  774   2H5*    T   6          2H5*        T   6 -11.393   5.508   0.946
  775    H4*    T   6           H4*        T   6 -12.063   5.314  -1.469
  776    H3*    T   6           H3*        T   6 -10.446   3.380  -0.004
  777   1H2*    T   6          1H2*        T   6  -8.742   3.315  -1.467
  778   2H2*    T   6          2H2*        T   6  -9.810   2.466  -2.588
  779    H1*    T   6           H1*        T   6 -10.449   4.420  -3.726
  780    H3     T   6           H3         T   6  -6.692   5.157  -6.290
  781   1H5M    T   6          1H5M        T   6  -5.090   5.076  -1.148
  782   2H5M    T   6          2H5M        T   6  -3.982   5.346  -2.508
  783   3H5M    T   6          3H5M        T   6  -4.847   6.708  -1.814
  784    H6     T   6           H6         T   6  -7.526   5.201  -1.550
  785   1H5*    G   7          1H5*        G   7 -12.729   1.999  -3.747
  786   2H5*    G   7          2H5*        G   7 -13.291   0.319  -3.684
  787    H4*    G   7           H4*        G   7 -12.251   0.942  -5.861
  788    H3*    G   7           H3*        G   7 -11.336  -1.355  -4.264
  789   1H2*    G   7          1H2*        G   7  -9.155  -0.777  -4.388
  790   2H2*    G   7          2H2*        G   7  -9.226  -1.320  -6.088
  791    H1*    G   7           H1*        G   7  -9.756   0.891  -6.870
  792    H8     G   7           H8         G   7  -8.103   1.384  -3.363
  793    H1     G   7           H1         G   7  -4.196   2.447  -8.325
  794   1H2     G   7           H21        G   7  -5.184   1.749 -10.246
  795   2H2     G   7           H22        G   7  -6.834   1.155 -10.207
  796   1H5*    G   8          1H5*        G   8 -10.757  -1.586  -9.042
  797   2H5*    G   8          2H5*        G   8 -11.069  -3.276  -9.489
  798    H4*    G   8           H4*        G   8  -9.141  -2.416 -10.698
  799    H3*    G   8           H3*        G   8  -9.016  -4.815  -9.112
  800   1H2*    G   8          1H2*        G   8  -7.494  -3.818  -7.626
  801   2H2*    G   8          2H2*        G   8  -6.296  -4.428  -8.789
  802    H1*    G   8           H1*        G   8  -6.410  -2.319 -10.067
  803    H8     G   8           H8         G   8  -7.055  -1.884  -6.251
  804    H1     G   8           H1         G   8  -1.218  -0.010  -8.186
  805   1H2     G   8           H21        G   8  -1.075  -0.259 -10.482
  806   2H2     G   8           H22        G   8  -2.461  -0.853 -11.386
  807   1H5*    G   9          1H5*        G   9  -6.133  -3.597 -12.645
  808   2H5*    G   9          2H5*        G   9  -6.037  -5.051 -13.659
  809    H4*    G   9           H4*        G   9  -4.069  -3.660 -13.970
  810    H3*    G   9           H3*        G   9  -3.930  -6.431 -13.472
  811   1H2*    G   9          1H2*        G   9  -3.396  -6.050 -11.142
  812   2H2*    G   9          2H2*        G   9  -1.797  -6.298 -11.856
  813    H1*    G   9           H1*        G   9  -1.544  -3.884 -12.224
  814    H8     G   9           H8         G   9  -3.850  -4.491  -9.123
  815    H1     G   9           H1         G   9   1.967  -2.120  -7.769
  816   1H2     G   9           H21        G   9   3.154  -1.886  -9.775
  817   2H2     G   9           H22        G   9   2.380  -2.348 -11.289
  818   1H5*    A  10          1H5*        A  10  -0.051  -3.622 -14.219
  819   2H5*    A  10          2H5*        A  10   0.427  -4.397 -15.738
  820    H4*    A  10           H4*        A  10   2.343  -3.295 -14.885
  821    H3*    A  10           H3*        A  10   2.313  -6.056 -15.465
  822   1H2*    A  10          1H2*        A  10   2.372  -6.728 -13.226
  823   2H2*    A  10          2H2*        A  10   4.125  -6.642 -13.485
  824    H1*    A  10           H1*        A  10   4.231  -4.388 -12.591
  825    H8     A  10           H8         A  10   1.003  -6.120 -11.372
  826   1H6     A  10           H61        A  10   2.968  -5.020  -5.640
  827   2H6     A  10           H62        A  10   1.677  -5.637  -6.651
  828    H2     A  10           H2         A  10   6.201  -3.756  -8.495
  829   1H5*    G  11          1H5*        G  11   6.329  -4.442 -14.212
  830   2H5*    G  11          2H5*        G  11   7.705  -5.131 -15.098
  831    H4*    G  11           H4*        G  11   8.091  -5.175 -12.693
  832    H3*    G  11           H3*        G  11   8.121  -7.639 -14.291
  833   1H2*    G  11          1H2*        G  11   6.557  -8.638 -12.820
  834   2H2*    G  11          2H2*        G  11   8.014  -8.920 -11.819
  835    H1*    G  11           H1*        G  11   7.719  -6.725 -10.759
  836    H8     G  11           H8         G  11   4.291  -8.499 -11.566
  837    H1     G  11           H1         G  11   5.638  -7.441  -5.355
  838   1H2     G  11           H21        G  11   7.747  -6.489  -5.258
  839   2H2     G  11           H22        G  11   8.534  -5.966  -6.729
  840   1H5*    A  12          1H5*        A  12  11.513  -5.780 -11.790
  841   2H5*    A  12          2H5*        A  12  13.085  -6.414 -12.308
  842    H4*    A  12           H4*        A  12  13.112  -5.560  -9.988
  843    H3*    A  12           H3*        A  12  14.210  -7.994 -10.770
  844   1H2*    A  12          1H2*        A  12  12.431  -9.336  -9.999
  845   2H2*    A  12          2H2*        A  12  13.410  -9.323  -8.515
  846    H1*    A  12           H1*        A  12  12.143  -7.548  -7.557
  847    H8     A  12           H8         A  12   9.974  -9.109 -10.422
  848   1H6     A  12           H61        A  12   6.034 -10.767  -6.016
  849   2H6     A  12           H62        A  12   6.437 -10.767  -7.734
  850    H2     A  12           H2         A  12   9.529  -8.775  -4.028
  851   1H5*    C  13          1H5*        C  13  14.504  -7.198  -6.218
  852   2H5*    C  13          2H5*        C  13  16.089  -7.660  -5.559
  853    H4*    C  13           H4*        C  13  14.220  -8.430  -4.139
  854    H3*    C  13           H3*        C  13  16.215 -10.285  -5.272
  855   1H2*    C  13          1H2*        C  13  14.597 -11.745  -5.990
  856   2H2*    C  13          2H2*        C  13  14.405 -12.196  -4.280
  857    H1*    C  13           H1*        C  13  12.715 -10.493  -3.939
  858   1H4     C  13           H41        C  13   8.772 -13.086  -8.703
  859   2H4     C  13           H42        C  13   8.001 -13.345  -7.148
  860    H5     C  13           H5         C  13  11.094 -12.212  -8.867
  861    H6     C  13           H6         C  13  12.912 -11.264  -7.592
  862   1H5*    C  14          1H5*        C  14  14.053 -11.228  -1.326
  863   2H5*    C  14          2H5*        C  14  15.089 -12.067  -0.150
  864    H4*    C  14           H4*        C  14  12.859 -13.118  -0.334
  865    H3*    C  14           H3*        C  14  15.277 -14.686  -1.174
  866   1H2*    C  14          1H2*        C  14  14.044 -15.936  -2.564
  867   2H2*    C  14          2H2*        C  14  12.969 -16.434  -1.223
  868    H1*    C  14           H1*        C  14  11.470 -14.673  -1.565
  869   1H4     C  14           H41        C  14  10.948 -15.437  -8.174
  870   2H4     C  14           H42        C  14   9.413 -15.895  -7.468
  871    H5     C  14           H5         C  14  12.879 -14.748  -6.811
  872    H6     C  14           H6         C  14  13.617 -14.354  -4.503
  873   1H5*    G  15          1H5*        G  15  12.099 -16.731   1.486
  874   2H5*    G  15          2H5*        G  15  12.855 -17.902   2.587
  875    H4*    G  15           H4*        G  15  10.880 -18.855   1.455
  876    H3*    G  15           H3*        G  15  13.526 -20.114   1.303
  877   1H2*    G  15          1H2*        G  15  13.473 -20.196  -1.008
  878   2H2*    G  15          2H2*        G  15  12.376 -21.587  -0.762
  879    H1*    G  15           H1*        G  15  10.423 -20.144  -0.840
  880    H8     G  15           H8         G  15  13.467 -18.810  -2.892
  881    H1     G  15           H1         G  15   8.044 -19.500  -6.261
  882   1H2     G  15           H21        G  15   6.420 -20.382  -4.845
  883   2H2     G  15           H22        G  15   6.815 -20.766  -3.182
  884    H3T    G  15           H3T        G  15  12.220 -21.925   1.646
  885   1H5*    C  16          1H5*        C  16   3.188 -24.658  -9.928
  886   2H5*    C  16          2H5*        C  16   1.503 -24.231 -10.271
  887    H4*    C  16           H4*        C  16   2.477 -23.161  -8.181
  888    H3*    C  16           H3*        C  16   1.392 -21.451 -10.400
  889   1H2*    C  16          1H2*        C  16   2.650 -19.713  -9.827
  890   2H2*    C  16          2H2*        C  16   2.085 -19.748  -8.148
  891    H1*    C  16           H1*        C  16   3.689 -21.258  -7.436
  892   1H4     C  16           H41        C  16   8.850 -17.866 -10.082
  893   2H4     C  16           H42        C  16   9.207 -18.200  -8.396
  894    H5     C  16           H5         C  16   6.748 -18.615 -11.133
  895    H6     C  16           H6         C  16   4.710 -19.845 -10.769
  896    H5T    C  16           H5T        C  16   3.741 -22.822 -11.267
  897   1H5*    G  17          1H5*        G  17   0.620 -21.538  -6.026
  898   2H5*    G  17          2H5*        G  17  -0.822 -20.792  -5.321
  899    H4*    G  17           H4*        G  17   1.302 -20.430  -4.046
  900    H3*    G  17           H3*        G  17  -0.597 -18.373  -4.607
  901   1H2*    G  17          1H2*        G  17   0.929 -17.313  -6.099
  902   2H2*    G  17          2H2*        G  17   1.414 -16.488  -4.593
  903    H1*    G  17           H1*        G  17   3.044 -18.270  -4.116
  904    H8     G  17           H8         G  17   2.537 -17.289  -7.852
  905    H1     G  17           H1         G  17   8.398 -16.241  -5.397
  906   1H2     G  17           H21        G  17   8.354 -16.879  -3.177
  907   2H2     G  17           H22        G  17   6.929 -17.658  -2.530
  908   1H5*    G  18          1H5*        G  18   2.198 -18.665  -0.723
  909   2H5*    G  18          2H5*        G  18   1.220 -17.952   0.577
  910    H4*    G  18           H4*        G  18   3.619 -17.825   1.089
  911    H3*    G  18           H3*        G  18   1.860 -15.671   1.324
  912   1H2*    G  18          1H2*        G  18   2.533 -14.630  -0.695
  913   2H2*    G  18          2H2*        G  18   3.655 -13.816   0.421
  914    H1*    G  18           H1*        G  18   5.406 -15.405  -0.030
  915    H8     G  18           H8         G  18   2.899 -15.512  -3.026
  916    H1     G  18           H1         G  18   8.607 -12.941  -4.433
  917   1H2     G  18           H21        G  18   9.787 -12.667  -2.452
  918   2H2     G  18           H22        G  18   9.186 -13.397  -0.969
  919   1H5*    T  19          1H5*        T  19   6.369 -14.706   2.468
  920   2H5*    T  19          2H5*        T  19   6.352 -13.809   4.001
  921    H4*    T  19           H4*        T  19   8.054 -12.918   2.481
  922    H3*    T  19           H3*        T  19   5.938 -11.270   3.616
  923   1H2*    T  19          1H2*        T  19   5.215 -10.591   1.533
  924   2H2*    T  19          2H2*        T  19   6.569  -9.451   1.619
  925    H1*    T  19           H1*        T  19   8.078 -11.047   0.539
  926    H3     T  19           H3         T  19   7.154 -10.146  -3.871
  927   1H5M    T  19          1H5M        T  19   2.738 -12.409  -1.678
  928   2H5M    T  19          2H5M        T  19   2.451 -10.841  -2.459
  929   3H5M    T  19          3H5M        T  19   2.962 -12.237  -3.429
  930    H6     T  19           H6         T  19   4.550 -11.830  -0.214
  931   1H5*    C  20          1H5*        C  20   9.823  -9.305   2.113
  932   2H5*    C  20          2H5*        C  20  10.288  -7.803   2.940
  933    H4*    C  20           H4*        C  20  10.308  -7.690   0.423
  934    H3*    C  20           H3*        C  20   8.502  -5.852   1.992
  935   1H2*    C  20          1H2*        C  20   7.288  -5.401   0.164
  936   2H2*    C  20          2H2*        C  20   8.734  -5.108  -0.850
  937    H1*    C  20           H1*        C  20   8.941  -7.303  -1.501
  938   1H4     C  20           H41        C  20   2.610  -8.537  -3.107
  939   2H4     C  20           H42        C  20   3.463  -8.103  -4.570
  940    H5     C  20           H5         C  20   3.637  -8.252  -0.860
  941    H6     C  20           H6         C  20   5.718  -7.802   0.278
  942   1H5*    T  21          1H5*        T  21  11.649  -4.290  -1.138
  943   2H5*    T  21          2H5*        T  21  12.124  -2.612  -0.807
  944    H4*    T  21           H4*        T  21  11.712  -3.089  -3.225
  945    H3*    T  21           H3*        T  21  10.536  -0.857  -1.776
  946   1H2*    T  21          1H2*        T  21   8.390  -1.480  -2.234
  947   2H2*    T  21          2H2*        T  21   8.666  -0.761  -3.833
  948    H1*    T  21           H1*        T  21   9.431  -2.857  -4.763
  949    H3     T  21           H3         T  21   5.259  -4.367  -5.903
  950   1H5M    T  21          1H5M        T  21   4.245  -5.081  -1.333
  951   2H5M    T  21          2H5M        T  21   5.531  -4.221  -0.468
  952   3H5M    T  21          3H5M        T  21   4.227  -3.303  -1.217
  953    H6     T  21           H6         T  21   7.378  -3.411  -1.704
  954   1H5*    C  22          1H5*        C  22  10.611  -0.806  -6.444
  955   2H5*    C  22          2H5*        C  22  10.957   0.825  -7.060
  956    H4*    C  22           H4*        C  22   9.158  -0.241  -8.345
  957    H3*    C  22           H3*        C  22   8.489   2.167  -6.671
  958   1H2*    C  22          1H2*        C  22   6.346   1.584  -6.536
  959   2H2*    C  22          2H2*        C  22   6.191   1.502  -8.311
  960    H1*    C  22           H1*        C  22   6.773  -0.776  -8.403
  961   1H4     C  22           H41        C  22   2.234  -2.019  -3.624
  962   2H4     C  22           H42        C  22   1.423  -2.220  -5.168
  963    H5     C  22           H5         C  22   4.534  -1.171  -3.459
  964    H6     C  22           H6         C  22   6.474  -0.516  -4.742
  965   1H5*    C  23          1H5*        C  23   7.080   1.949 -11.053
  966   2H5*    C  23          2H5*        C  23   6.807   3.562 -11.757
  967    H4*    C  23           H4*        C  23   4.938   2.010 -12.171
  968    H3*    C  23           H3*        C  23   4.395   4.405 -10.402
  969   1H2*    C  23          1H2*        C  23   2.322   3.638 -10.000
  970   2H2*    C  23          2H2*        C  23   2.100   2.947 -11.647
  971    H1*    C  23           H1*        C  23   2.862   0.918 -11.110
  972   1H4     C  23           H41        C  23   0.891   0.676  -4.721
  973   2H4     C  23           H42        C  23  -0.394  -0.017  -5.694
  974    H5     C  23           H5         C  23   2.773   1.904  -5.772
  975    H6     C  23           H6         C  23   3.839   2.399  -7.893
  976   1H5*    C  24          1H5*        C  24   2.326   3.087 -14.056
  977   2H5*    C  24          2H5*        C  24   1.938   4.400 -15.182
  978    H4*    C  24           H4*        C  24   0.230   2.617 -15.205
  979    H3*    C  24           H3*        C  24  -0.275   5.416 -14.884
  980   1H2*    C  24          1H2*        C  24  -1.225   5.279 -12.797
  981   2H2*    C  24          2H2*        C  24  -2.681   4.738 -13.680
  982    H1*    C  24           H1*        C  24  -2.221   2.455 -13.310
  983   1H4     C  24           H41        C  24  -0.800   2.939  -6.818
  984   2H4     C  24           H42        C  24  -2.467   2.462  -6.848
  985    H5     C  24           H5         C  24   0.375   3.734  -8.746
  986    H6     C  24           H6         C  24   0.289   4.058 -11.138
  987   1H5*    A  25          1H5*        A  25  -3.950   2.758 -15.599
  988   2H5*    A  25          2H5*        A  25  -4.798   3.361 -17.040
  989    H4*    A  25           H4*        A  25  -6.437   2.680 -15.393
  990    H3*    A  25           H3*        A  25  -6.331   5.312 -16.509
  991   1H2*    A  25          1H2*        A  25  -5.760   6.336 -14.497
  992   2H2*    A  25          2H2*        A  25  -7.521   6.344 -14.255
  993    H1*    A  25           H1*        A  25  -7.434   4.273 -13.007
  994    H8     A  25           H8         A  25  -4.053   6.227 -12.888
  995   1H6     A  25           H61        A  25  -4.372   5.782  -6.781
  996   2H6     A  25           H62        A  25  -3.449   6.272  -8.194
  997    H2     A  25           H2         A  25  -8.227   4.170  -8.467
  998   1H5*    T  26          1H5*        T  26  -9.960   4.095 -14.128
  999   2H5*    T  26          2H5*        T  26 -11.506   4.810 -14.632
 1000    H4*    T  26           H4*        T  26 -11.098   4.989 -12.196
 1001    H3*    T  26           H3*        T  26 -11.276   7.525 -13.833
 1002   1H2*    T  26          1H2*        T  26 -10.234   8.697 -12.216
 1003   2H2*    T  26          2H2*        T  26 -11.331   8.065 -10.961
 1004    H1*    T  26           H1*        T  26 -10.041   6.231 -10.464
 1005    H3     T  26           H3         T  26  -6.784   8.236  -8.022
 1006   1H5M    T  26          1H5M        T  26  -5.365   8.673 -13.194
 1007   2H5M    T  26          2H5M        T  26  -5.622  10.275 -12.464
 1008   3H5M    T  26          3H5M        T  26  -4.337   9.218 -11.853
 1009    H6     T  26           H6         T  26  -7.741   8.062 -12.718
 1010   1H5*    C  27          1H5*        C  27 -13.437   6.340 -10.139
 1011   2H5*    C  27          2H5*        C  27 -15.094   6.946  -9.941
 1012    H4*    C  27           H4*        C  27 -13.790   6.956  -7.819
 1013    H3*    C  27           H3*        C  27 -15.218   9.221  -8.907
 1014   1H2*    C  27          1H2*        C  27 -13.346  10.569  -9.027
 1015   2H2*    C  27          2H2*        C  27 -13.619  10.810  -7.286
 1016    H1*    C  27           H1*        C  27 -12.159   8.974  -6.710
 1017   1H4     C  27           H41        C  27  -7.090  11.852 -10.074
 1018   2H4     C  27           H42        C  27  -6.585  11.678  -8.411
 1019    H5     C  27           H5         C  27  -9.280  11.062 -10.877
 1020    H6     C  27           H6         C  27 -11.401  10.151 -10.186
 1021   1H5*    C  28          1H5*        C  28 -14.217   9.708  -4.386
 1022   2H5*    C  28          2H5*        C  28 -15.519  10.600  -3.568
 1023    H4*    C  28           H4*        C  28 -13.358  11.654  -3.124
 1024    H3*    C  28           H3*        C  28 -15.187  13.211  -4.982
 1025   1H2*    C  28          1H2*        C  28 -13.516  14.614  -5.503
 1026   2H2*    C  28          2H2*        C  28 -12.912  14.710  -3.820
 1027    H1*    C  28           H1*        C  28 -11.498  12.972  -4.014
 1028   1H4     C  28           H41        C  28  -9.398  14.140 -10.271
 1029   2H4     C  28           H42        C  28  -8.062  14.492  -9.202
 1030    H5     C  28           H5         C  28 -11.627  13.469  -9.449
 1031    H6     C  28           H6         C  28 -12.927  13.020  -7.446
 1032   1H5*    A  29          1H5*        A  29 -13.519  14.667  -1.009
 1033   2H5*    A  29          2H5*        A  29 -14.607  15.784  -0.163
 1034    H4*    A  29           H4*        A  29 -12.177  16.333   0.035
 1035    H3*    A  29           H3*        A  29 -14.217  18.190  -0.305
 1036   1H2*    A  29          1H2*        A  29 -13.911  18.400  -2.636
 1037   2H2*    A  29          2H2*        A  29 -12.865  19.730  -2.100
 1038    H1*    A  29           H1*        A  29 -10.900  18.347  -2.148
 1039    H8     A  29           H8         A  29 -13.751  17.421  -4.639
 1040   1H6     A  29           H61        A  29  -9.311  17.004  -8.926
 1041   2H6     A  29           H62        A  29 -11.034  16.923  -8.575
 1042    H2     A  29           H2         A  29  -7.385  18.082  -5.018
 1043   1H5*    A  30          1H5*        A  30  -9.695  19.544   0.495
 1044   2H5*    A  30          2H5*        A  30  -9.699  21.011   1.495
 1045    H4*    A  30           H4*        A  30  -7.804  20.971  -0.085
 1046    H3*    A  30           H3*        A  30  -9.586  23.199   0.199
 1047   1H2*    A  30          1H2*        A  30 -10.530  22.912  -1.939
 1048   2H2*    A  30          2H2*        A  30  -9.126  23.928  -2.396
 1049    H1*    A  30           H1*        A  30  -7.771  21.957  -2.849
 1050    H8     A  30           H8         A  30 -11.593  21.264  -3.337
 1051   1H6     A  30           H61        A  30 -10.153  19.931  -9.170
 1052   2H6     A  30           H62        A  30 -11.425  20.115  -7.964
 1053    H2     A  30           H2         A  30  -6.389  21.211  -7.093
 1054    H3T    A  30           H3T        A  30  -7.317  23.266   0.456
   
  No H/Q in entry =        1054
  Start of MODEL   11
    1    H    MET   1           H        MET   1   3.139 -25.522 -13.130
    2    HA   MET   1           HA       MET   1   1.762 -24.285 -15.198
    3   1HB   MET   1          2HB       MET   1  -0.551 -24.283 -14.310
    4   2HB   MET   1          3HB       MET   1  -0.019 -25.899 -14.789
    5   1HG   MET   1          2HG       MET   1   0.405 -26.487 -12.429
    6   2HG   MET   1          3HG       MET   1  -0.017 -24.847 -11.927
    7   1HE   MET   1          3HE       MET   1  -1.341 -28.240 -13.349
    8   2HE   MET   1          1HE       MET   1  -3.087 -27.925 -13.482
    9   3HE   MET   1          2HE       MET   1  -1.961 -27.124 -14.595
   10    H    LYS  11           H        LYS  11   0.473 -22.295 -14.121
   11    HA   LYS  11           HA       LYS  11   1.244 -21.352 -11.551
   12   1HB   LYS  11          2HB       LYS  11   3.429 -21.089 -12.744
   13   2HB   LYS  11          3HB       LYS  11   2.627 -20.111 -13.978
   14   1HG   LYS  11          2HG       LYS  11   2.276 -18.288 -12.375
   15   2HG   LYS  11          3HG       LYS  11   2.596 -19.338 -11.031
   16   1HD   LYS  11          2HD       LYS  11   4.518 -17.890 -11.444
   17   2HD   LYS  11          3HD       LYS  11   4.951 -19.590 -11.663
   18   1HE   LYS  11          2HE       LYS  11   4.859 -19.340 -14.105
   19   2HE   LYS  11          3HE       LYS  11   4.239 -17.687 -13.947
   20   1HZ   LYS  11          1HZ       LYS  11   6.867 -18.615 -13.039
   21   2HZ   LYS  11          2HZ       LYS  11   6.564 -17.722 -14.391
   22   3HZ   LYS  11          3HZ       LYS  11   6.283 -17.078 -12.901
   23    H    ARG  12           H        ARG  12   0.441 -19.078 -11.410
   24    HA   ARG  12           HA       ARG  12  -0.910 -17.387 -11.776
   25   1HB   ARG  12          2HB       ARG  12  -1.609 -18.514 -14.509
   26   2HB   ARG  12          3HB       ARG  12  -2.455 -17.193 -13.750
   27   1HG   ARG  12          2HG       ARG  12  -0.915 -16.171 -15.168
   28   2HG   ARG  12          3HG       ARG  12  -0.360 -15.912 -13.523
   29   1HD   ARG  12          2HD       ARG  12   1.013 -18.161 -14.102
   30   2HD   ARG  12          3HD       ARG  12   0.876 -17.543 -15.725
   31    HE   ARG  12           HE       ARG  12   2.438 -16.495 -13.465
   32   1HH1  ARG  12          2HH1      ARG  12   1.025 -15.577 -16.567
   33   2HH1  ARG  12          1HH1      ARG  12   2.151 -14.273 -16.838
   34   1HH2  ARG  12          2HH2      ARG  12   3.816 -14.824 -13.730
   35   2HH2  ARG  12          1HH2      ARG  12   3.818 -13.838 -15.182
   36    H    TYR  13           H        TYR  13  -2.804 -16.957 -10.927
   37    HA   TYR  13           HA       TYR  13  -4.716 -19.170 -10.316
   38   1HB   TYR  13          2HB       TYR  13  -4.705 -16.254  -9.427
   39   2HB   TYR  13          3HB       TYR  13  -5.871 -17.486  -8.952
   40    HD1  TYR  13           HD2      TYR  13  -2.378 -16.317  -8.616
   41    HD2  TYR  13           HD1      TYR  13  -5.349 -19.126  -7.247
   42    HE1  TYR  13           HE2      TYR  13  -1.022 -16.773  -6.627
   43    HE2  TYR  13           HE1      TYR  13  -4.000 -19.570  -5.224
   44    HH   TYR  13           HH       TYR  13  -2.150 -18.976  -4.004
   45    H    ILE  14           H        ILE  14  -6.703 -19.244 -11.377
   46    HA   ILE  14           HA       ILE  14  -7.087 -17.390 -13.673
   47    HB   ILE  14           HB       ILE  14  -8.023 -20.235 -13.176
   48   1HG1  ILE  14          2HG1      ILE  14  -6.855 -20.776 -15.235
   49   2HG1  ILE  14          3HG1      ILE  14  -6.366 -19.099 -15.481
   50   1HG2  ILE  14          2HG2      ILE  14  -8.726 -18.275 -15.397
   51   2HG2  ILE  14          3HG2      ILE  14  -9.011 -20.026 -15.502
   52   3HG2  ILE  14          1HG2      ILE  14  -9.859 -19.087 -14.283
   53   1HD1  ILE  14          2HD1      ILE  14  -5.455 -20.760 -13.099
   54   2HD1  ILE  14          3HD1      ILE  14  -4.593 -20.705 -14.649
   55   3HD1  ILE  14          1HD1      ILE  14  -4.773 -19.224 -13.714
   56    H    CYS  15           H        CYS  15  -9.066 -16.464 -14.026
   57    HA   CYS  15           HA       CYS  15 -10.691 -15.735 -11.740
   58   1HB   CYS  15          2HB       CYS  15 -10.140 -14.167 -13.494
   59   2HB   CYS  15          3HB       CYS  15 -10.832 -15.241 -14.717
   60    H    SER  16           H        SER  16 -12.116 -17.178 -10.898
   61    HA   SER  16           HA       SER  16 -13.024 -19.519 -11.733
   62   1HB   SER  16          2HB       SER  16 -14.871 -17.584 -10.307
   63   2HB   SER  16          3HB       SER  16 -14.576 -19.304  -9.979
   64    HG   SER  16           HG       SER  16 -13.466 -17.971  -8.471
   65    H    PHE  17           H        PHE  17 -14.354 -16.415 -12.759
   66    HA   PHE  17           HA       PHE  17 -16.751 -17.423 -13.989
   67   1HB   PHE  17          2HB       PHE  17 -15.251 -14.819 -14.376
   68   2HB   PHE  17          3HB       PHE  17 -16.847 -15.180 -15.010
   69    HD1  PHE  17           HD2      PHE  17 -18.810 -15.367 -13.528
   70    HD2  PHE  17           HD1      PHE  17 -14.911 -14.443 -11.921
   71    HE1  PHE  17           HE2      PHE  17 -19.821 -14.907 -11.315
   72    HE2  PHE  17           HE1      PHE  17 -15.918 -14.114  -9.688
   73    HZ   PHE  17           HZ       PHE  17 -18.376 -14.316  -9.382
   74    H    ALA  18           H        ALA  18 -15.856 -19.224 -15.069
   75    HA   ALA  18           HA       ALA  18 -14.028 -19.186 -17.260
   76   1HB   ALA  18          1HB       ALA  18 -14.598 -21.195 -15.951
   77   2HB   ALA  18          2HB       ALA  18 -16.270 -21.122 -16.560
   78   3HB   ALA  18          3HB       ALA  18 -14.929 -21.444 -17.681
   79    H    ASP  19           H        ASP  19 -15.054 -17.197 -18.020
   80    HA   ASP  19           HA       ASP  19 -16.479 -17.432 -20.534
   81   1HB   ASP  19          2HB       ASP  19 -17.740 -16.091 -18.086
   82   2HB   ASP  19          3HB       ASP  19 -18.156 -15.628 -19.748
   83    H    CYS  20           H        CYS  20 -15.517 -15.383 -17.763
   84    HA   CYS  20           HA       CYS  20 -14.390 -13.206 -19.335
   85   1HB   CYS  20          2HB       CYS  20 -15.246 -12.838 -17.060
   86   2HB   CYS  20          3HB       CYS  20 -14.163 -14.085 -16.435
   87    H    GLY  21           H        GLY  21 -13.197 -15.956 -17.363
   88   1HA   GLY  21          2HA       GLY  21 -11.245 -17.142 -17.361
   89   2HA   GLY  21          3HA       GLY  21 -11.281 -16.933 -19.117
   90    H    ALA  22           H        ALA  22 -10.758 -14.454 -16.575
   91    HA   ALA  22           HA       ALA  22  -8.242 -13.578 -17.832
   92   1HB   ALA  22          3HB       ALA  22  -9.861 -11.926 -16.875
   93   2HB   ALA  22          1HB       ALA  22  -9.620 -12.656 -15.268
   94   3HB   ALA  22          2HB       ALA  22  -8.271 -11.854 -16.093
   95    H    ALA  23           H        ALA  23  -6.246 -13.398 -16.227
   96    HA   ALA  23           HA       ALA  23  -6.282 -15.257 -14.022
   97   1HB   ALA  23          3HB       ALA  23  -6.133 -16.787 -15.977
   98   2HB   ALA  23          1HB       ALA  23  -4.675 -15.939 -16.526
   99   3HB   ALA  23          2HB       ALA  23  -4.653 -16.840 -14.987
  100    H    TYR  24           H        TYR  24  -4.329 -14.992 -12.718
  101    HA   TYR  24           HA       TYR  24  -2.278 -13.109 -13.684
  102   1HB   TYR  24          2HB       TYR  24  -3.848 -12.462 -11.164
  103   2HB   TYR  24          3HB       TYR  24  -2.501 -11.575 -11.837
  104    HD1  TYR  24           HD2      TYR  24  -6.039 -12.459 -12.305
  105    HD2  TYR  24           HD1      TYR  24  -2.836  -9.960 -13.687
  106    HE1  TYR  24           HE2      TYR  24  -7.619 -11.267 -13.771
  107    HE2  TYR  24           HE1      TYR  24  -4.453  -8.608 -14.987
  108    HH   TYR  24           HH       TYR  24  -6.705  -8.270 -15.499
  109    H    ASN  25           H        ASN  25  -0.396 -13.073 -12.339
  110    HA   ASN  25           HA       ASN  25   0.206 -15.676 -11.322
  111   1HB   ASN  25          2HB       ASN  25   1.714 -13.972 -12.516
  112   2HB   ASN  25          3HB       ASN  25   1.968 -13.293 -10.909
  113   1HD2  ASN  25          1HD2      ASN  25   3.405 -16.724  -9.955
  114   2HD2  ASN  25          2HD2      ASN  25   1.930 -15.946  -9.440
  115    H    LYS  26           H        LYS  26  -0.223 -12.533  -9.639
  116    HA   LYS  26           HA       LYS  26   0.377 -13.838  -7.063
  117   1HB   LYS  26          2HB       LYS  26  -0.467 -10.972  -7.426
  118   2HB   LYS  26          3HB       LYS  26   0.472 -11.720  -6.130
  119   1HG   LYS  26          2HG       LYS  26   1.381 -11.202  -8.996
  120   2HG   LYS  26          3HG       LYS  26   1.878 -10.308  -7.577
  121   1HD   LYS  26          2HD       LYS  26   2.485 -13.285  -7.981
  122   2HD   LYS  26          3HD       LYS  26   3.556 -11.942  -8.418
  123   1HE   LYS  26          2HE       LYS  26   3.521 -11.207  -6.015
  124   2HE   LYS  26          3HE       LYS  26   2.662 -12.712  -5.631
  125   1HZ   LYS  26          2HZ       LYS  26   4.534 -13.885  -6.656
  126   2HZ   LYS  26          3HZ       LYS  26   5.329 -12.451  -6.844
  127   3HZ   LYS  26          1HZ       LYS  26   4.950 -12.998  -5.335
  128    H    ASN  27           H        ASN  27  -1.116 -14.323  -5.485
  129    HA   ASN  27           HA       ASN  27  -3.789 -14.796  -6.214
  130   1HB   ASN  27          2HB       ASN  27  -2.661 -15.869  -4.285
  131   2HB   ASN  27          3HB       ASN  27  -2.697 -14.326  -3.410
  132   1HD2  ASN  27          1HD2      ASN  27  -6.170 -16.488  -3.883
  133   2HD2  ASN  27          2HD2      ASN  27  -4.778 -16.873  -4.882
  134    H    TRP  28           H        TRP  28  -2.442 -12.055  -4.313
  135    HA   TRP  28           HA       TRP  28  -4.814 -10.663  -3.793
  136   1HB   TRP  28          2HB       TRP  28  -3.474  -8.713  -3.483
  137   2HB   TRP  28          3HB       TRP  28  -2.663 -10.108  -2.791
  138    HD1  TRP  28           HD1      TRP  28  -0.276 -10.672  -3.686
  139    HE1  TRP  28           HE1      TRP  28   1.397  -9.503  -5.220
  140    HE3  TRP  28           HE3      TRP  28  -3.383  -7.159  -5.756
  141    HZ2  TRP  28           HZ2      TRP  28   1.385  -7.362  -7.181
  142    HZ3  TRP  28           HZ3      TRP  28  -2.510  -5.544  -7.407
  143    HH2  TRP  28           HH2      TRP  28  -0.141  -5.653  -8.146
  144    H    LYS  29           H        LYS  29  -2.768 -10.582  -6.721
  145    HA   LYS  29           HA       LYS  29  -4.151  -8.440  -7.998
  146   1HB   LYS  29          2HB       LYS  29  -1.838  -9.334  -8.416
  147   2HB   LYS  29          3HB       LYS  29  -2.562 -10.676  -9.318
  148   1HG   LYS  29          2HG       LYS  29  -3.599  -9.032 -10.868
  149   2HG   LYS  29          3HG       LYS  29  -2.874  -7.697  -9.957
  150   1HD   LYS  29          2HD       LYS  29  -1.239  -9.934 -11.247
  151   2HD   LYS  29          3HD       LYS  29  -1.629  -8.419 -12.059
  152   1HE   LYS  29          2HE       LYS  29  -0.398  -7.162 -10.304
  153   2HE   LYS  29          3HE       LYS  29  -0.039  -8.671  -9.451
  154   1HZ   LYS  29          1HZ       LYS  29   0.824  -8.057 -12.174
  155   2HZ   LYS  29          2HZ       LYS  29   1.755  -7.984 -10.810
  156   3HZ   LYS  29          3HZ       LYS  29   1.164  -9.432 -11.330
  157    H    LEU  30           H        LEU  30  -4.418 -12.030  -8.282
  158    HA   LEU  30           HA       LEU  30  -6.627 -11.876 -10.106
  159   1HB   LEU  30          2HB       LEU  30  -5.306 -13.798 -10.093
  160   2HB   LEU  30          3HB       LEU  30  -5.576 -14.119  -8.372
  161    HG   LEU  30           HG       LEU  30  -6.638 -15.589 -10.151
  162   1HD1  LEU  30          1HD1      LEU  30  -7.277 -15.711  -7.889
  163   2HD1  LEU  30          2HD1      LEU  30  -8.518 -14.442  -8.106
  164   3HD1  LEU  30          3HD1      LEU  30  -8.658 -15.999  -8.963
  165   1HD2  LEU  30          2HD2      LEU  30  -8.418 -13.236 -10.735
  166   2HD2  LEU  30          3HD2      LEU  30  -7.255 -14.095 -11.772
  167   3HD2  LEU  30          1HD2      LEU  30  -8.698 -14.922 -11.198
  168    H    GLN  31           H        GLN  31  -6.481 -11.819  -6.520
  169    HA   GLN  31           HA       GLN  31  -9.325 -12.085  -6.150
  170   1HB   GLN  31          2HB       GLN  31  -7.406 -10.496  -4.405
  171   2HB   GLN  31          3HB       GLN  31  -9.059 -10.982  -4.067
  172   1HG   GLN  31          2HG       GLN  31  -6.550 -12.566  -3.869
  173   2HG   GLN  31          3HG       GLN  31  -7.955 -12.549  -2.832
  174   1HE2  GLN  31          1HE2      GLN  31  -7.703 -15.248  -5.898
  175   2HE2  GLN  31          2HE2      GLN  31  -6.526 -13.940  -5.721
  176    H    ALA  32           H        ALA  32  -7.170  -9.248  -6.526
  177    HA   ALA  32           HA       ALA  32  -9.159  -7.260  -6.346
  178   1HB   ALA  32          3HB       ALA  32  -6.715  -6.828  -6.314
  179   2HB   ALA  32          1HB       ALA  32  -6.607  -7.262  -8.033
  180   3HB   ALA  32          2HB       ALA  32  -7.531  -5.828  -7.539
  181    H    HIS  33           H        HIS  33  -8.001  -9.133  -9.212
  182    HA   HIS  33           HA       HIS  33  -9.826  -7.912 -11.033
  183   1HB   HIS  33          2HB       HIS  33  -8.005  -9.365 -11.770
  184   2HB   HIS  33          3HB       HIS  33  -8.793 -10.762 -11.030
  185    HD1  HIS  33           HD1      HIS  33  -8.799  -8.827 -14.232
  186    HD2  HIS  33           HD2      HIS  33 -11.280 -11.478 -12.095
  187    HE1  HIS  33           HE1      HIS  33 -10.647  -9.552 -15.828
  188    H    LEU  34           H        LEU  34 -10.239 -10.921  -9.036
  189    HA   LEU  34           HA       LEU  34 -12.889 -11.441  -9.786
  190   1HB   LEU  34          2HB       LEU  34 -11.504 -11.987  -7.150
  191   2HB   LEU  34          3HB       LEU  34 -13.118 -12.561  -7.531
  192    HG   LEU  34           HG       LEU  34 -10.653 -13.319  -9.130
  193   1HD1  LEU  34          2HD1      LEU  34 -10.633 -14.229  -6.821
  194   2HD1  LEU  34          3HD1      LEU  34 -12.275 -14.861  -7.054
  195   3HD1  LEU  34          1HD1      LEU  34 -10.930 -15.512  -8.008
  196   1HD2  LEU  34          1HD2      LEU  34 -13.549 -14.262  -9.239
  197   2HD2  LEU  34          2HD2      LEU  34 -12.628 -13.482 -10.548
  198   3HD2  LEU  34          3HD2      LEU  34 -12.198 -15.105 -10.009
  199    H    SER  35           H        SER  35 -11.768  -8.983  -7.451
  200    HA   SER  35           HA       SER  35 -14.246  -8.552  -6.205
  201   1HB   SER  35          2HB       SER  35 -13.559  -6.462  -5.499
  202   2HB   SER  35          3HB       SER  35 -12.076  -7.421  -5.544
  203    HG   SER  35           HG       SER  35 -11.684  -6.392  -7.620
  204    H    LYS  36           H        LYS  36 -13.266  -7.681  -9.498
  205    HA   LYS  36           HA       LYS  36 -15.199  -5.766 -10.211
  206   1HB   LYS  36          2HB       LYS  36 -14.128  -8.165 -11.762
  207   2HB   LYS  36          3HB       LYS  36 -15.061  -6.846 -12.485
  208   1HG   LYS  36          2HG       LYS  36 -13.340  -5.246 -12.100
  209   2HG   LYS  36          3HG       LYS  36 -12.463  -6.330 -11.019
  210   1HD   LYS  36          2HD       LYS  36 -11.406  -6.106 -13.237
  211   2HD   LYS  36          3HD       LYS  36 -11.757  -7.769 -12.776
  212   1HE   LYS  36          2HE       LYS  36 -13.674  -6.226 -14.561
  213   2HE   LYS  36          3HE       LYS  36 -12.226  -7.006 -15.212
  214   1HZ   LYS  36          2HZ       LYS  36 -12.970  -9.088 -14.304
  215   2HZ   LYS  36          3HZ       LYS  36 -14.360  -8.395 -13.769
  216   3HZ   LYS  36          1HZ       LYS  36 -14.048  -8.464 -15.380
  217    H    HIS  37           H        HIS  37 -15.428  -9.314 -10.055
  218    HA   HIS  37           HA       HIS  37 -18.244  -9.314 -10.953
  219   1HB   HIS  37          2HB       HIS  37 -16.409 -11.597 -10.202
  220   2HB   HIS  37          3HB       HIS  37 -17.951 -11.706 -11.054
  221    HD1  HIS  37           HD1      HIS  37 -17.885 -10.548 -13.628
  222    HD2  HIS  37           HD2      HIS  37 -14.317 -11.648 -11.702
  223    HE1  HIS  37           HE1      HIS  37 -16.149 -10.953 -15.462
  224    H    THR  38           H        THR  38 -16.303 -10.354  -8.161
  225    HA   THR  38           HA       THR  38 -18.615 -11.336  -6.688
  226    HB   THR  38           HB       THR  38 -16.975 -12.003  -5.051
  227    HG1  THR  38          1HG       THR  38 -15.048 -10.673  -6.664
  228   1HG2  THR  38          3HG2      THR  38 -17.174 -13.421  -7.074
  229   2HG2  THR  38          1HG2      THR  38 -15.836 -12.528  -7.832
  230   3HG2  THR  38          2HG2      THR  38 -15.550 -13.470  -6.361
  231    H    GLY  39           H        GLY  39 -16.700  -8.331  -6.614
  232   1HA   GLY  39          2HA       GLY  39 -16.981  -6.451  -5.338
  233   2HA   GLY  39          3HA       GLY  39 -18.438  -7.145  -4.615
  234    H    GLU  40           H        GLU  40 -15.664  -9.270  -4.410
  235    HA   GLU  40           HA       GLU  40 -15.603  -8.961  -1.516
  236   1HB   GLU  40          2HB       GLU  40 -13.987 -10.610  -3.498
  237   2HB   GLU  40          3HB       GLU  40 -13.711 -10.652  -1.753
  238   1HG   GLU  40          2HG       GLU  40 -15.963 -11.439  -1.313
  239   2HG   GLU  40          3HG       GLU  40 -16.422 -11.247  -3.006
  240    H    LYS  41           H        LYS  41 -13.957  -8.131  -0.248
  241    HA   LYS  41           HA       LYS  41 -11.690  -6.708  -1.575
  242   1HB   LYS  41          2HB       LYS  41 -13.247  -5.507   0.729
  243   2HB   LYS  41          3HB       LYS  41 -12.055  -4.763  -0.348
  244   1HG   LYS  41          2HG       LYS  41 -13.800  -5.287  -2.252
  245   2HG   LYS  41          3HG       LYS  41 -14.917  -5.619  -0.912
  246   1HD   LYS  41          2HD       LYS  41 -15.406  -3.417  -1.267
  247   2HD   LYS  41          3HD       LYS  41 -14.115  -3.255  -0.059
  248   1HE   LYS  41          2HE       LYS  41 -12.479  -3.009  -2.010
  249   2HE   LYS  41          3HE       LYS  41 -13.875  -2.982  -3.100
  250   1HZ   LYS  41          1HZ       LYS  41 -14.671  -1.059  -1.858
  251   2HZ   LYS  41          2HZ       LYS  41 -13.320  -1.123  -0.900
  252   3HZ   LYS  41          3HZ       LYS  41 -13.169  -0.786  -2.499
  253    HA   PRO  42           HA       PRO  42 -10.504 -10.029   1.447
  254   1HB   PRO  42          2HB       PRO  42  -7.975  -9.458  -0.100
  255   2HB   PRO  42          3HB       PRO  42  -8.546 -11.032   0.530
  256   1HG   PRO  42          2HG       PRO  42  -8.888 -10.321  -2.042
  257   2HG   PRO  42          3HG       PRO  42 -10.253 -11.112  -1.176
  258   1HD   PRO  42          2HD       PRO  42  -9.839  -8.219  -1.866
  259   2HD   PRO  42          3HD       PRO  42 -11.339  -9.178  -1.842
  260    H    PHE  43           H        PHE  43  -8.889  -6.851   1.021
  261    HA   PHE  43           HA       PHE  43  -7.367  -7.309   3.569
  262   1HB   PHE  43          2HB       PHE  43  -6.846  -5.474   1.226
  263   2HB   PHE  43          3HB       PHE  43  -5.929  -5.525   2.713
  264    HD1  PHE  43           HD1      PHE  43  -4.516  -7.484   3.292
  265    HD2  PHE  43           HD2      PHE  43  -6.702  -7.359  -0.422
  266    HE1  PHE  43           HE1      PHE  43  -3.221  -9.420   2.453
  267    HE2  PHE  43           HE2      PHE  43  -5.370  -9.252  -1.273
  268    HZ   PHE  43           HZ       PHE  43  -3.627 -10.296   0.163
  269    HA   PRO  44           HA       PRO  44 -10.440  -4.052   4.616
  270   1HB   PRO  44          2HB       PRO  44 -11.349  -4.907   6.993
  271   2HB   PRO  44          3HB       PRO  44 -11.914  -5.656   5.474
  272   1HG   PRO  44          2HG       PRO  44  -9.677  -6.663   7.273
  273   2HG   PRO  44          3HG       PRO  44 -11.077  -7.594   6.662
  274   1HD   PRO  44          2HD       PRO  44  -8.659  -7.645   5.400
  275   2HD   PRO  44          3HD       PRO  44 -10.193  -7.652   4.475
  276    H    CYS  45           H        CYS  45 -10.224  -2.378   6.195
  277    HA   CYS  45           HA       CYS  45  -7.473  -2.122   7.273
  278   1HB   CYS  45          2HB       CYS  45  -8.370  -0.389   5.892
  279   2HB   CYS  45          3HB       CYS  45  -9.753  -0.173   6.984
  280    H    LYS  46           H        LYS  46 -10.835  -2.305   8.493
  281    HA   LYS  46           HA       LYS  46 -11.673  -2.402  10.583
  282   1HB   LYS  46          2HB       LYS  46  -9.143  -4.017  10.953
  283   2HB   LYS  46          3HB       LYS  46 -10.450  -3.984  12.131
  284   1HG   LYS  46          2HG       LYS  46 -10.912  -4.797   9.246
  285   2HG   LYS  46          3HG       LYS  46 -10.422  -5.934  10.507
  286   1HD   LYS  46          2HD       LYS  46 -12.393  -5.311  11.881
  287   2HD   LYS  46          3HD       LYS  46 -12.969  -4.243  10.601
  288   1HE   LYS  46          2HE       LYS  46 -12.564  -7.257  10.346
  289   2HE   LYS  46          3HE       LYS  46 -14.111  -6.435  10.596
  290   1HZ   LYS  46          2HZ       LYS  46 -13.788  -5.312   8.501
  291   2HZ   LYS  46          3HZ       LYS  46 -12.373  -6.126   8.261
  292   3HZ   LYS  46          1HZ       LYS  46 -13.796  -6.949   8.319
  293    H    GLU  47           H        GLU  47 -10.162   0.052  10.099
  294    HA   GLU  47           HA       GLU  47  -9.045   0.643  12.790
  295   1HB   GLU  47          2HB       GLU  47  -9.099   2.064  10.131
  296   2HB   GLU  47          3HB       GLU  47  -8.813   2.987  11.610
  297   1HG   GLU  47          2HG       GLU  47  -7.224   0.467  11.047
  298   2HG   GLU  47          3HG       GLU  47  -6.756   2.020  10.345
  299    H    GLU  48           H        GLU  48  -9.760   2.583  13.850
  300    HA   GLU  48           HA       GLU  48 -12.469   2.443  14.636
  301   1HB   GLU  48          2HB       GLU  48 -10.469   4.744  14.921
  302   2HB   GLU  48          3HB       GLU  48 -12.021   4.620  15.744
  303   1HG   GLU  48          2HG       GLU  48 -10.429   3.913  17.328
  304   2HG   GLU  48          3HG       GLU  48 -11.260   2.450  16.793
  305    H    GLY  49           H        GLY  49 -14.132   2.809  13.211
  306   1HA   GLY  49          2HA       GLY  49 -15.580   4.070  11.914
  307   2HA   GLY  49          3HA       GLY  49 -14.455   5.437  11.951
  308    H    CYS  50           H        CYS  50 -12.158   4.371  10.926
  309    HA   CYS  50           HA       CYS  50 -12.665   4.245   8.077
  310   1HB   CYS  50          2HB       CYS  50 -10.861   5.522   9.063
  311   2HB   CYS  50          3HB       CYS  50 -10.173   4.087   9.808
  312    H    GLU  51           H        GLU  51 -14.065   2.159   8.752
  313    HA   GLU  51           HA       GLU  51 -12.474  -0.299   8.769
  314   1HB   GLU  51          2HB       GLU  51 -14.817   0.216   9.888
  315   2HB   GLU  51          3HB       GLU  51 -15.459  -0.247   8.314
  316   1HG   GLU  51          2HG       GLU  51 -13.800  -1.847  10.277
  317   2HG   GLU  51          3HG       GLU  51 -15.440  -2.181   9.736
  318    H    LYS  52           H        LYS  52 -11.487   0.849   6.713
  319    HA   LYS  52           HA       LYS  52 -12.944   0.805   4.233
  320   1HB   LYS  52          2HB       LYS  52  -9.983   0.505   4.703
  321   2HB   LYS  52          3HB       LYS  52 -10.710   1.004   3.178
  322   1HG   LYS  52          2HG       LYS  52 -11.004   2.633   5.733
  323   2HG   LYS  52          3HG       LYS  52  -9.604   2.786   4.664
  324   1HD   LYS  52          2HD       LYS  52 -11.071   3.383   2.779
  325   2HD   LYS  52          3HD       LYS  52 -12.514   3.187   3.798
  326   1HE   LYS  52          2HE       LYS  52 -11.804   5.017   5.257
  327   2HE   LYS  52          3HE       LYS  52 -10.251   5.149   4.405
  328   1HZ   LYS  52          1HZ       LYS  52 -12.873   5.649   3.191
  329   2HZ   LYS  52          2HZ       LYS  52 -11.807   6.801   3.695
  330   3HZ   LYS  52          3HZ       LYS  52 -11.400   5.796   2.454
  331    H    GLY  53           H        GLY  53 -12.433  -0.595   2.387
  332   1HA   GLY  53          2HA       GLY  53 -11.724  -3.443   3.003
  333   2HA   GLY  53          3HA       GLY  53 -13.088  -2.976   1.992
  334    H    PHE  54           H        PHE  54  -9.634  -3.457   2.058
  335    HA   PHE  54           HA       PHE  54  -9.316  -2.156  -0.597
  336   1HB   PHE  54          2HB       PHE  54  -7.254  -2.998   1.424
  337   2HB   PHE  54          3HB       PHE  54  -6.917  -2.447  -0.200
  338    HD1  PHE  54           HD2      PHE  54  -7.583  -0.127  -0.947
  339    HD2  PHE  54           HD1      PHE  54  -8.025  -1.393   3.145
  340    HE1  PHE  54           HE2      PHE  54  -7.667   2.243  -0.222
  341    HE2  PHE  54           HE1      PHE  54  -8.011   0.978   3.864
  342    HZ   PHE  54           HZ       PHE  54  -8.019   2.788   2.172
  343    H    THR  55           H        THR  55  -8.461  -3.335  -2.380
  344    HA   THR  55           HA       THR  55  -9.038  -6.215  -2.308
  345    HB   THR  55           HB       THR  55  -8.663  -5.736  -4.848
  346    HG1  THR  55          1HG       THR  55  -8.953  -3.545  -5.345
  347   1HG2  THR  55          3HG2      THR  55 -10.949  -4.423  -3.306
  348   2HG2  THR  55          1HG2      THR  55 -10.964  -4.808  -5.037
  349   3HG2  THR  55          2HG2      THR  55 -10.888  -6.114  -3.842
  350    H    SER  56           H        SER  56  -6.212  -4.455  -1.665
  351    HA   SER  56           HA       SER  56  -4.690  -6.881  -2.264
  352   1HB   SER  56          2HB       SER  56  -2.986  -5.845  -3.566
  353   2HB   SER  56          3HB       SER  56  -4.531  -5.534  -4.377
  354    HG   SER  56           HG       SER  56  -4.452  -3.446  -3.689
  355    H    LEU  57           H        LEU  57  -2.720  -7.031  -1.160
  356    HA   LEU  57           HA       LEU  57  -2.632  -5.758   1.372
  357   1HB   LEU  57          2HB       LEU  57  -1.599  -7.966   0.866
  358   2HB   LEU  57          3HB       LEU  57  -0.430  -7.180  -0.195
  359    HG   LEU  57           HG       LEU  57   0.547  -5.992   1.719
  360   1HD1  LEU  57          3HD1      LEU  57  -1.575  -7.430   3.380
  361   2HD1  LEU  57          1HD1      LEU  57  -0.147  -6.621   4.052
  362   3HD1  LEU  57          2HD1      LEU  57  -1.375  -5.671   3.218
  363   1HD2  LEU  57          2HD2      LEU  57   1.323  -8.268   1.105
  364   2HD2  LEU  57          3HD2      LEU  57   1.519  -7.938   2.839
  365   3HD2  LEU  57          1HD2      LEU  57   0.184  -8.964   2.275
  366    H    HIS  58           H        HIS  58  -1.076  -5.085  -1.784
  367    HA   HIS  58           HA       HIS  58   0.683  -3.076  -0.849
  368   1HB   HIS  58          2HB       HIS  58   1.292  -2.748  -2.957
  369   2HB   HIS  58          3HB       HIS  58   0.482  -4.283  -3.227
  370    HD1  HIS  58           HD1      HIS  58  -1.378  -4.122  -5.148
  371    HD2  HIS  58           HD2      HIS  58  -0.116  -0.440  -3.542
  372    HE1  HIS  58           HE1      HIS  58  -2.439  -2.301  -6.571
  373    H    HIS  59           H        HIS  59  -2.712  -2.864  -2.089
  374    HA   HIS  59           HA       HIS  59  -3.023  -0.065  -1.814
  375   1HB   HIS  59          2HB       HIS  59  -5.008  -2.342  -1.504
  376   2HB   HIS  59          3HB       HIS  59  -5.432  -0.639  -1.320
  377    HD1  HIS  59           HD1      HIS  59  -3.113  -0.326  -3.996
  378    HD2  HIS  59           HD2      HIS  59  -7.031  -1.849  -3.535
  379    HE1  HIS  59           HE1      HIS  59  -4.232  -0.104  -6.234
  380    HE2  HIS  59           HE2      HIS  59  -6.567  -1.133  -6.025
  381    H    LEU  60           H        LEU  60  -3.573  -2.692   0.580
  382    HA   LEU  60           HA       LEU  60  -4.405  -0.971   2.650
  383   1HB   LEU  60          2HB       LEU  60  -4.447  -3.572   2.476
  384   2HB   LEU  60          3HB       LEU  60  -2.801  -3.511   3.106
  385    HG   LEU  60           HG       LEU  60  -3.707  -2.202   5.098
  386   1HD1  LEU  60          3HD1      LEU  60  -6.327  -2.845   3.670
  387   2HD1  LEU  60          1HD1      LEU  60  -6.254  -2.571   5.418
  388   3HD1  LEU  60          2HD1      LEU  60  -5.786  -1.278   4.318
  389   1HD2  LEU  60          3HD2      LEU  60  -3.268  -4.659   5.140
  390   2HD2  LEU  60          1HD2      LEU  60  -4.601  -4.174   6.207
  391   3HD2  LEU  60          2HD2      LEU  60  -4.951  -4.947   4.653
  392    H    THR  61           H        THR  61  -1.152  -2.095   1.762
  393    HA   THR  61           HA       THR  61   0.293  -0.934   3.895
  394    HB   THR  61           HB       THR  61   1.253  -1.429   1.055
  395    HG1  THR  61          1HG       THR  61   0.349  -3.284   2.059
  396   1HG2  THR  61          3HG2      THR  61   2.758  -1.260   3.701
  397   2HG2  THR  61          1HG2      THR  61   3.456  -1.731   2.140
  398   3HG2  THR  61          2HG2      THR  61   2.858  -0.079   2.375
  399    H    ARG  62           H        ARG  62  -0.240   0.402   0.545
  400    HA   ARG  62           HA       ARG  62   1.001   2.881   1.199
  401   1HB   ARG  62          2HB       ARG  62   0.152   3.792  -0.813
  402   2HB   ARG  62          3HB       ARG  62   0.676   2.126  -1.117
  403   1HG   ARG  62          2HG       ARG  62  -1.673   1.390  -0.918
  404   2HG   ARG  62          3HG       ARG  62  -2.200   3.070  -0.692
  405   1HD   ARG  62          2HD       ARG  62  -1.276   3.615  -2.943
  406   2HD   ARG  62          3HD       ARG  62  -0.935   1.888  -3.179
  407    HE   ARG  62           HE       ARG  62  -3.624   2.214  -2.292
  408   1HH1  ARG  62          1HH2      ARG  62  -1.672   2.762  -5.194
  409   2HH1  ARG  62          2HH2      ARG  62  -3.056   2.774  -6.262
  410   1HH2  ARG  62          1HH1      ARG  62  -5.384   2.167  -3.666
  411   2HH2  ARG  62          2HH1      ARG  62  -5.213   2.307  -5.389
  412    H    HIS  63           H        HIS  63  -2.426   1.797   1.468
  413    HA   HIS  63           HA       HIS  63  -3.534   4.293   2.176
  414   1HB   HIS  63          2HB       HIS  63  -4.971   2.420   1.686
  415   2HB   HIS  63          3HB       HIS  63  -4.296   1.475   3.019
  416    HD1  HIS  63           HD1      HIS  63  -6.014   4.966   2.795
  417    HD2  HIS  63           HD2      HIS  63  -5.742   1.495   5.168
  418    HE1  HIS  63           HE1      HIS  63  -7.395   5.401   4.900
  419    H    SER  64           H        SER  64  -1.925   1.807   4.218
  420    HA   SER  64           HA       SER  64  -2.366   3.072   6.694
  421   1HB   SER  64          2HB       SER  64   0.067   1.422   5.960
  422   2HB   SER  64          3HB       SER  64  -0.599   1.765   7.576
  423    HG   SER  64           HG       SER  64  -1.946   0.345   5.502
  424    H    LEU  65           H        LEU  65  -0.264   4.174   4.101
  425    HA   LEU  65           HA       LEU  65   1.586   5.673   5.673
  426   1HB   LEU  65          2HB       LEU  65   0.463   6.398   2.961
  427   2HB   LEU  65          3HB       LEU  65   1.912   7.055   3.710
  428    HG   LEU  65           HG       LEU  65   1.592   4.129   2.956
  429   1HD1  LEU  65          1HD1      LEU  65   1.576   5.629   0.988
  430   2HD1  LEU  65          2HD1      LEU  65   3.063   6.396   1.591
  431   3HD1  LEU  65          3HD1      LEU  65   3.081   4.689   1.072
  432   1HD2  LEU  65          1HD2      LEU  65   4.064   5.707   3.767
  433   2HD2  LEU  65          2HD2      LEU  65   3.260   4.469   4.767
  434   3HD2  LEU  65          3HD2      LEU  65   4.027   4.015   3.242
  435    H    THR  66           H        THR  66  -1.814   6.209   4.746
  436    HA   THR  66           HA       THR  66  -1.852   8.994   5.467
  437    HB   THR  66           HB       THR  66  -4.208   8.896   5.248
  438    HG1  THR  66          1HG       THR  66  -4.002   6.069   5.150
  439   1HG2  THR  66          3HG2      THR  66  -2.800   8.734   3.152
  440   2HG2  THR  66          1HG2      THR  66  -3.070   6.984   3.148
  441   3HG2  THR  66          2HG2      THR  66  -4.445   8.088   2.983
  442    H    HIS  67           H        HIS  67  -2.334   5.993   7.303
  443    HA   HIS  67           HA       HIS  67  -3.364   7.357   9.683
  444   1HB   HIS  67          2HB       HIS  67  -2.299   4.546   9.159
  445   2HB   HIS  67          3HB       HIS  67  -2.752   5.118  10.763
  446    HD1  HIS  67           HD1      HIS  67  -5.387   5.820  11.107
  447    HD2  HIS  67           HD2      HIS  67  -4.304   3.663   7.656
  448    HE1  HIS  67           HE1      HIS  67  -7.551   4.905  10.114
  449    H    THR  68           H        THR  68  -0.257   5.885   8.672
  450    HA   THR  68           HA       THR  68   1.143   6.699  11.071
  451    HB   THR  68           HB       THR  68   3.169   6.082   9.719
  452    HG1  THR  68          1HG       THR  68   1.265   5.268   7.771
  453   1HG2  THR  68          3HG2      THR  68   1.974   4.376  11.054
  454   2HG2  THR  68          1HG2      THR  68   0.890   4.044   9.684
  455   3HG2  THR  68          2HG2      THR  68   2.623   3.688   9.552
  456    H    GLY  69           H        GLY  69   0.386   8.326   8.049
  457   1HA   GLY  69          2HA       GLY  69   0.595  10.537   7.493
  458   2HA   GLY  69          3HA       GLY  69   1.467  10.868   9.001
  459    H    GLU  70           H        GLU  70   2.368   8.222   6.856
  460    HA   GLU  70           HA       GLU  70   5.055   9.351   6.570
  461   1HB   GLU  70          2HB       GLU  70   3.777   6.710   5.887
  462   2HB   GLU  70          3HB       GLU  70   5.422   7.080   5.366
  463   1HG   GLU  70          2HG       GLU  70   4.621   7.390   8.280
  464   2HG   GLU  70          3HG       GLU  70   5.076   5.822   7.606
  465    H    LYS  71           H        LYS  71   3.924  11.181   5.469
  466    HA   LYS  71           HA       LYS  71   3.472  10.923   2.573
  467   1HB   LYS  71          2HB       LYS  71   2.346  12.587   4.169
  468   2HB   LYS  71          3HB       LYS  71   3.905  13.369   4.329
  469   1HG   LYS  71          2HG       LYS  71   3.883  13.901   1.933
  470   2HG   LYS  71          3HG       LYS  71   2.364  13.008   1.703
  471   1HD   LYS  71          2HD       LYS  71   2.642  15.222   3.748
  472   2HD   LYS  71          3HD       LYS  71   2.258  15.585   2.049
  473   1HE   LYS  71          2HE       LYS  71   0.237  14.028   2.306
  474   2HE   LYS  71          3HE       LYS  71   0.592  13.958   4.039
  475   1HZ   LYS  71          3HZ       LYS  71   0.356  16.332   4.112
  476   2HZ   LYS  71          1HZ       LYS  71   0.005  16.379   2.501
  477   3HZ   LYS  71          2HZ       LYS  71  -1.016  15.614   3.545
  478    H    ASN  72           H        ASN  72   5.640   9.689   2.571
  479    HA   ASN  72           HA       ASN  72   8.053  11.391   2.894
  480   1HB   ASN  72          2HB       ASN  72   7.891   8.434   2.270
  481   2HB   ASN  72          3HB       ASN  72   9.293   9.322   2.863
  482   1HD2  ASN  72          1HD2      ASN  72   7.389   9.545   6.191
  483   2HD2  ASN  72          2HD2      ASN  72   7.671  10.813   4.994
  484    H    PHE  73           H        PHE  73   6.191  10.317   0.146
  485    HA   PHE  73           HA       PHE  73   8.523   9.871  -1.516
  486   1HB   PHE  73          2HB       PHE  73   5.603  10.231  -2.237
  487   2HB   PHE  73          3HB       PHE  73   6.883   9.838  -3.379
  488    HD1  PHE  73           HD1      PHE  73   8.438   7.834  -2.814
  489    HD2  PHE  73           HD2      PHE  73   4.693   8.498  -0.810
  490    HE1  PHE  73           HE1      PHE  73   8.596   5.608  -1.774
  491    HE2  PHE  73           HE2      PHE  73   4.762   6.198   0.084
  492    HZ   PHE  73           HZ       PHE  73   6.730   4.750  -0.356
  493    H    THR  74           H        THR  74   9.783  11.544  -1.239
  494    HA   THR  74           HA       THR  74   9.110  14.297  -1.668
  495    HB   THR  74           HB       THR  74  11.769  12.880  -1.432
  496    HG1  THR  74          1HG       THR  74  10.265  12.555   0.335
  497   1HG2  THR  74          3HG2      THR  74  10.998  15.796  -0.961
  498   2HG2  THR  74          1HG2      THR  74  12.584  15.067  -0.627
  499   3HG2  THR  74          2HG2      THR  74  12.013  15.189  -2.293
  500    H    CYS  75           H        CYS  75   9.005  15.391  -3.512
  501    HA   CYS  75           HA       CYS  75   9.604  14.323  -6.110
  502   1HB   CYS  75          2HB       CYS  75   7.976  16.031  -5.960
  503   2HB   CYS  75          3HB       CYS  75   9.014  17.076  -4.979
  504    H    ASP  76           H        ASP  76  11.628  13.983  -6.880
  505    HA   ASP  76           HA       ASP  76  13.966  15.106  -5.579
  506   1HB   ASP  76          2HB       ASP  76  13.983  12.848  -6.463
  507   2HB   ASP  76          3HB       ASP  76  13.637  13.442  -8.103
  508    H    SER  77           H        SER  77  13.155  17.345  -5.868
  509    HA   SER  77           HA       SER  77  14.387  18.603  -8.247
  510   1HB   SER  77          2HB       SER  77  11.940  18.204  -8.743
  511   2HB   SER  77          3HB       SER  77  11.547  19.230  -7.344
  512    HG   SER  77           HG       SER  77  11.569  20.328  -9.382
  513    H    ASP  78           H        ASP  78  15.853  19.898  -7.245
  514    HA   ASP  78           HA       ASP  78  15.970  20.529  -4.556
  515   1HB   ASP  78          2HB       ASP  78  17.030  22.163  -6.903
  516   2HB   ASP  78          3HB       ASP  78  17.553  22.327  -5.222
  517    H    GLY  79           H        GLY  79  15.012  22.009  -3.211
  518   1HA   GLY  79          2HA       GLY  79  13.897  23.941  -2.556
  519   2HA   GLY  79          3HA       GLY  79  13.748  24.472  -4.241
  520    H    CYS  80           H        CYS  80  12.501  22.518  -5.536
  521    HA   CYS  80           HA       CYS  80   9.766  22.468  -4.464
  522   1HB   CYS  80          2HB       CYS  80  10.182  22.961  -6.787
  523   2HB   CYS  80          3HB       CYS  80  11.085  21.471  -7.013
  524    H    ASP  81           H        ASP  81  11.350  21.166  -2.654
  525    HA   ASP  81           HA       ASP  81  11.327  18.261  -3.167
  526   1HB   ASP  81          2HB       ASP  81  12.132  19.886  -0.740
  527   2HB   ASP  81          3HB       ASP  81  12.308  18.134  -0.910
  528    H    LEU  82           H        LEU  82   8.820  19.068  -3.540
  529    HA   LEU  82           HA       LEU  82   7.180  19.088  -1.140
  530   1HB   LEU  82          2HB       LEU  82   6.605  18.541  -4.076
  531   2HB   LEU  82          3HB       LEU  82   5.340  18.498  -2.839
  532    HG   LEU  82           HG       LEU  82   7.046  20.936  -3.502
  533   1HD1  LEU  82          2HD1      LEU  82   5.571  20.260  -5.371
  534   2HD1  LEU  82          3HD1      LEU  82   4.174  20.223  -4.271
  535   3HD1  LEU  82          1HD1      LEU  82   4.996  21.759  -4.622
  536   1HD2  LEU  82          2HD2      LEU  82   4.552  20.586  -1.760
  537   2HD2  LEU  82          3HD2      LEU  82   6.174  21.060  -1.196
  538   3HD2  LEU  82          1HD2      LEU  82   5.250  22.148  -2.232
  539    H    ARG  83           H        ARG  83   6.334  17.360  -0.007
  540    HA   ARG  83           HA       ARG  83   7.179  14.648  -0.886
  541   1HB   ARG  83          2HB       ARG  83   6.229  15.379   1.876
  542   2HB   ARG  83          3HB       ARG  83   7.110  13.948   1.294
  543   1HG   ARG  83          2HG       ARG  83   9.037  15.538   0.682
  544   2HG   ARG  83          3HG       ARG  83   8.170  16.776   1.607
  545   1HD   ARG  83          2HD       ARG  83   8.108  15.057   3.532
  546   2HD   ARG  83          3HD       ARG  83   9.297  14.127   2.618
  547    HE   ARG  83           HE       ARG  83   9.649  16.632   4.083
  548   1HH1  ARG  83          1HH1      ARG  83  11.078  14.626   1.482
  549   2HH1  ARG  83          2HH1      ARG  83  12.671  15.269   1.739
  550   1HH2  ARG  83          2HH2      ARG  83  11.723  17.485   4.322
  551   2HH2  ARG  83          1HH2      ARG  83  13.042  16.932   3.327
  552    H    PHE  84           H        PHE  84   5.744  13.089  -1.298
  553    HA   PHE  84           HA       PHE  84   2.852  13.839  -1.257
  554   1HB   PHE  84          2HB       PHE  84   4.415  12.186  -3.257
  555   2HB   PHE  84          3HB       PHE  84   2.680  12.413  -3.291
  556    HD1  PHE  84           HD2      PHE  84   5.946  14.244  -3.642
  557    HD2  PHE  84           HD1      PHE  84   1.679  14.357  -4.283
  558    HE1  PHE  84           HE2      PHE  84   6.162  16.437  -4.701
  559    HE2  PHE  84           HE1      PHE  84   1.941  16.538  -5.426
  560    HZ   PHE  84           HZ       PHE  84   4.139  17.680  -5.438
  561    H    THR  85           H        THR  85   1.356  12.070  -1.272
  562    HA   THR  85           HA       THR  85   1.738  10.259   0.898
  563    HB   THR  85           HB       THR  85  -0.510   9.384  -0.300
  564    HG1  THR  85          1HG       THR  85  -0.689  12.021  -1.157
  565   1HG2  THR  85          2HG2      THR  85  -0.350  10.552   1.890
  566   2HG2  THR  85          3HG2      THR  85  -0.355  12.111   1.039
  567   3HG2  THR  85          1HG2      THR  85  -1.761  11.018   0.942
  568    H    THR  86           H        THR  86   1.645   9.718  -2.680
  569    HA   THR  86           HA       THR  86   2.854   7.028  -2.163
  570    HB   THR  86           HB       THR  86   1.511   6.127  -3.960
  571    HG1  THR  86          1HG       THR  86  -0.272   7.617  -4.681
  572   1HG2  THR  86          2HG2      THR  86   0.566   6.162  -1.611
  573   2HG2  THR  86          3HG2      THR  86  -0.383   7.591  -2.078
  574   3HG2  THR  86          1HG2      THR  86  -0.640   6.043  -2.904
  575    H    LYS  87           H        LYS  87   4.053   6.171  -3.930
  576    HA   LYS  87           HA       LYS  87   5.909   7.930  -5.104
  577   1HB   LYS  87          2HB       LYS  87   4.968   5.136  -5.911
  578   2HB   LYS  87          3HB       LYS  87   6.311   5.986  -6.696
  579   1HG   LYS  87          2HG       LYS  87   7.516   6.149  -4.588
  580   2HG   LYS  87          3HG       LYS  87   6.194   5.309  -3.727
  581   1HD   LYS  87          2HD       LYS  87   6.481   3.355  -5.227
  582   2HD   LYS  87          3HD       LYS  87   7.780   4.221  -6.078
  583   1HE   LYS  87          2HE       LYS  87   7.882   3.517  -3.106
  584   2HE   LYS  87          3HE       LYS  87   8.532   2.487  -4.384
  585   1HZ   LYS  87          3HZ       LYS  87   9.940   4.295  -5.064
  586   2HZ   LYS  87          1HZ       LYS  87   9.395   5.234  -3.823
  587   3HZ   LYS  87          2HZ       LYS  87  10.230   3.840  -3.511
  588    H    ALA  88           H        ALA  88   2.983   6.342  -6.512
  589    HA   ALA  88           HA       ALA  88   3.321   7.567  -9.038
  590   1HB   ALA  88          1HB       ALA  88   2.060   5.587  -8.720
  591   2HB   ALA  88          2HB       ALA  88   0.763   6.475  -7.861
  592   3HB   ALA  88          3HB       ALA  88   1.115   6.820  -9.582
  593    H    ASN  89           H        ASN  89   1.647   8.819  -6.075
  594    HA   ASN  89           HA       ASN  89   0.537  11.104  -7.463
  595   1HB   ASN  89          2HB       ASN  89   1.287  10.671  -4.546
  596   2HB   ASN  89          3HB       ASN  89   0.560  12.160  -5.164
  597   1HD2  ASN  89          1HD2      ASN  89  -2.258  10.035  -3.950
  598   2HD2  ASN  89          2HD2      ASN  89  -0.843  10.723  -3.152
  599    H    MET  90           H        MET  90   3.682  10.501  -5.847
  600    HA   MET  90           HA       MET  90   4.808  13.078  -6.348
  601   1HB   MET  90          2HB       MET  90   5.895  11.750  -4.794
  602   2HB   MET  90          3HB       MET  90   5.973  10.333  -5.812
  603   1HG   MET  90          2HG       MET  90   7.472  12.865  -6.508
  604   2HG   MET  90          3HG       MET  90   8.108  11.720  -5.333
  605   1HE   MET  90          2HE       MET  90   8.897   9.240  -5.829
  606   2HE   MET  90          3HE       MET  90   7.394   8.764  -6.644
  607   3HE   MET  90          1HE       MET  90   8.935   8.544  -7.463
  608    H    LYS  91           H        LYS  91   4.712  10.122  -8.386
  609    HA   LYS  91           HA       LYS  91   6.211  11.220 -10.560
  610   1HB   LYS  91          2HB       LYS  91   4.044   9.095 -10.596
  611   2HB   LYS  91          3HB       LYS  91   5.085   9.490 -11.954
  612   1HG   LYS  91          2HG       LYS  91   6.074   8.389  -9.289
  613   2HG   LYS  91          3HG       LYS  91   5.812   7.473 -10.773
  614   1HD   LYS  91          2HD       LYS  91   7.497   9.062 -11.894
  615   2HD   LYS  91          3HD       LYS  91   7.880   9.642 -10.253
  616   1HE   LYS  91          2HE       LYS  91   8.402   7.299  -9.572
  617   2HE   LYS  91          3HE       LYS  91   8.071   6.755 -11.229
  618   1HZ   LYS  91          3HZ       LYS  91   9.851   8.155 -11.978
  619   2HZ   LYS  91          1HZ       LYS  91  10.167   8.650 -10.438
  620   3HZ   LYS  91          2HZ       LYS  91  10.386   7.071 -10.859
  621    H    LYS  92           H        LYS  92   2.640  11.140 -10.025
  622    HA   LYS  92           HA       LYS  92   1.878  12.495 -12.376
  623   1HB   LYS  92          2HB       LYS  92   0.675  12.709  -9.569
  624   2HB   LYS  92          3HB       LYS  92  -0.034  13.406 -11.033
  625   1HG   LYS  92          2HG       LYS  92   0.126  10.935 -11.943
  626   2HG   LYS  92          3HG       LYS  92   0.139  10.506 -10.230
  627   1HD   LYS  92          2HD       LYS  92  -1.999  12.193 -11.626
  628   2HD   LYS  92          3HD       LYS  92  -2.103  10.471 -11.267
  629   1HE   LYS  92          2HE       LYS  92  -3.398  11.609  -9.641
  630   2HE   LYS  92          3HE       LYS  92  -1.973  10.946  -8.824
  631   1HZ   LYS  92          2HZ       LYS  92  -2.279  13.736  -9.715
  632   2HZ   LYS  92          3HZ       LYS  92  -2.576  13.204  -8.189
  633   3HZ   LYS  92          1HZ       LYS  92  -1.051  13.129  -8.799
  634    H    HIS  93           H        HIS  93   2.742  13.937  -9.161
  635    HA   HIS  93           HA       HIS  93   2.568  16.639 -10.035
  636   1HB   HIS  93          2HB       HIS  93   2.770  16.295  -7.730
  637   2HB   HIS  93          3HB       HIS  93   4.212  15.282  -7.888
  638    HD1  HIS  93           HD1      HIS  93   3.249  19.033  -8.132
  639    HD2  HIS  93           HD2      HIS  93   6.582  16.461  -8.139
  640    HE1  HIS  93           HE1      HIS  93   5.312  20.514  -8.138
  641    H    PHE  94           H        PHE  94   5.447  14.486  -9.918
  642    HA   PHE  94           HA       PHE  94   7.300  16.275 -10.961
  643   1HB   PHE  94          2HB       PHE  94   7.688  13.968  -9.978
  644   2HB   PHE  94          3HB       PHE  94   7.258  13.289 -11.542
  645    HD1  PHE  94           HD1      PHE  94   8.739  13.747 -13.546
  646    HD2  PHE  94           HD2      PHE  94   9.823  14.998  -9.560
  647    HE1  PHE  94           HE1      PHE  94  11.060  14.186 -14.307
  648    HE2  PHE  94           HE2      PHE  94  12.145  15.418 -10.327
  649    HZ   PHE  94           HZ       PHE  94  12.759  15.035 -12.700
  650    H    ASN  95           H        ASN  95   5.107  14.112 -12.716
  651    HA   ASN  95           HA       ASN  95   5.999  14.721 -15.364
  652   1HB   ASN  95          2HB       ASN  95   3.509  13.514 -14.131
  653   2HB   ASN  95          3HB       ASN  95   3.482  13.951 -15.826
  654   1HD2  ASN  95          1HD2      ASN  95   5.521  10.631 -14.614
  655   2HD2  ASN  95          2HD2      ASN  95   4.797  11.737 -13.446
  656    H    ARG  96           H        ARG  96   3.195  15.826 -13.519
  657    HA   ARG  96           HA       ARG  96   2.126  17.696 -15.285
  658   1HB   ARG  96          2HB       ARG  96   0.999  16.650 -13.412
  659   2HB   ARG  96          3HB       ARG  96   2.070  17.449 -12.264
  660   1HG   ARG  96          2HG       ARG  96   1.100  19.646 -12.900
  661   2HG   ARG  96          3HG       ARG  96   0.000  18.830 -14.024
  662   1HD   ARG  96          2HD       ARG  96   0.213  18.234 -11.039
  663   2HD   ARG  96          3HD       ARG  96  -0.992  19.327 -11.743
  664    HE   ARG  96           HE       ARG  96  -1.498  17.141 -13.174
  665   1HH1  ARG  96          1HH1      ARG  96  -0.927  17.288  -9.651
  666   2HH1  ARG  96          2HH1      ARG  96  -2.253  16.205  -9.287
  667   1HH2  ARG  96          1HH2      ARG  96  -3.086  15.600 -12.656
  668   2HH2  ARG  96          2HH2      ARG  96  -3.412  15.187 -10.992
  669    H    PHE  97           H        PHE  97   4.731  18.164 -12.888
  670    HA   PHE  97           HA       PHE  97   4.822  21.088 -13.534
  671   1HB   PHE  97          2HB       PHE  97   5.812  19.444 -11.189
  672   2HB   PHE  97          3HB       PHE  97   6.324  21.090 -11.487
  673    HD1  PHE  97           HD2      PHE  97   3.077  19.187 -11.200
  674    HD2  PHE  97           HD1      PHE  97   5.260  22.812 -10.370
  675    HE1  PHE  97           HE2      PHE  97   1.127  20.097  -9.962
  676    HE2  PHE  97           HE1      PHE  97   3.382  23.617  -8.979
  677    HZ   PHE  97           HZ       PHE  97   1.338  22.232  -8.721
  678    H    HIS  98           H        HIS  98   6.781  18.174 -14.059
  679    HA   HIS  98           HA       HIS  98   8.987  19.980 -14.988
  680   1HB   HIS  98          2HB       HIS  98   9.436  17.348 -13.553
  681   2HB   HIS  98          3HB       HIS  98  10.623  18.550 -14.046
  682    HD1  HIS  98           HD1      HIS  98   9.158  21.129 -12.811
  683    HD2  HIS  98           HD2      HIS  98   9.365  17.361 -10.984
  684    HE1  HIS  98           HE1      HIS  98   8.710  21.498 -10.329
  685    H    ASN  99           H        ASN  99   7.956  16.519 -15.090
  686    HA   ASN  99           HA       ASN  99   9.133  16.339 -17.773
  687   1HB   ASN  99          2HB       ASN  99   9.038  14.490 -15.902
  688   2HB   ASN  99          3HB       ASN  99   7.499  14.081 -16.635
  689   1HD2  ASN  99          1HD2      ASN  99   8.915  13.345 -19.900
  690   2HD2  ASN  99          2HD2      ASN  99   7.610  14.307 -19.176
  691    H    ILE 100           H        ILE 100   7.463  18.245 -18.058
  692    HA   ILE 100           HA       ILE 100   4.757  17.483 -18.878
  693    HB   ILE 100           HB       ILE 100   4.565  19.902 -19.490
  694   1HG1  ILE 100          2HG1      ILE 100   7.145  20.384 -17.972
  695   2HG1  ILE 100          3HG1      ILE 100   7.192  20.137 -19.731
  696   1HG2  ILE 100          3HG2      ILE 100   3.856  18.997 -17.312
  697   2HG2  ILE 100          1HG2      ILE 100   5.466  19.340 -16.641
  698   3HG2  ILE 100          2HG2      ILE 100   4.421  20.666 -17.179
  699   1HD1  ILE 100          1HD1      ILE 100   5.607  22.015 -20.038
  700   2HD1  ILE 100          2HD1      ILE 100   5.601  22.295 -18.281
  701   3HD1  ILE 100          3HD1      ILE 100   7.094  22.513 -19.209
  702    H    LYS 101           H        LYS 101   6.612  16.073 -20.199
  703    HA   LYS 101           HA       LYS 101   7.474  15.468 -22.268
  704   1HB   LYS 101          2HB       LYS 101   4.678  16.267 -23.144
  705   2HB   LYS 101          3HB       LYS 101   5.682  14.968 -23.798
  706   1HG   LYS 101          2HG       LYS 101   4.401  15.082 -21.028
  707   2HG   LYS 101          3HG       LYS 101   3.871  14.093 -22.386
  708   1HD   LYS 101          2HD       LYS 101   5.944  12.791 -22.353
  709   2HD   LYS 101          3HD       LYS 101   6.604  13.794 -21.059
  710   1HE   LYS 101          2HE       LYS 101   4.173  11.975 -20.820
  711   2HE   LYS 101          3HE       LYS 101   5.790  11.701 -20.150
  712   1HZ   LYS 101          2HZ       LYS 101   5.453  13.803 -18.901
  713   2HZ   LYS 101          3HZ       LYS 101   3.875  13.764 -19.357
  714   3HZ   LYS 101          1HZ       LYS 101   4.503  12.545 -18.437
  715   1H5*    T   1          1H5*        T   1  -4.859  25.047 -15.092
  716   2H5*    T   1          2H5*        T   1  -3.222  24.369 -15.266
  717    H4*    T   1           H4*        T   1  -4.003  24.873 -12.860
  718    H3*    T   1           H3*        T   1  -2.654  22.458 -13.826
  719   1H2*    T   1          1H2*        T   1  -4.255  21.055 -12.943
  720   2H2*    T   1          2H2*        T   1  -3.499  21.397 -11.367
  721    H1*    T   1           H1*        T   1  -4.978  23.287 -10.990
  722    H3     T   1           H3         T   1  -8.307  20.791  -9.073
  723   1H5M    T   1          1H5M        T   1  -9.452  20.409 -14.058
  724   2H5M    T   1          2H5M        T   1  -8.112  19.245 -14.186
  725   3H5M    T   1          3H5M        T   1  -9.503  18.885 -13.153
  726    H6     T   1           H6         T   1  -6.676  21.209 -13.570
  727    H5T    T   1           H5T        T   1  -5.554  22.814 -14.957
  728   1H5*    T   2          1H5*        T   2  -2.424  23.300  -9.334
  729   2H5*    T   2          2H5*        T   2  -0.798  22.994  -8.704
  730    H4*    T   2           H4*        T   2  -2.282  21.913  -7.198
  731    H3*    T   2           H3*        T   2  -1.205  19.857  -9.172
  732   1H2*    T   2          1H2*        T   2  -2.630  18.351  -8.364
  733   2H2*    T   2          2H2*        T   2  -2.417  18.856  -6.656
  734    H1*    T   2           H1*        T   2  -4.101  20.337  -6.766
  735    H3     T   2           H3         T   2  -7.706  17.672  -7.493
  736   1H5M    T   2          1H5M        T   2  -6.960  17.709 -12.127
  737   2H5M    T   2          2H5M        T   2  -5.467  18.651 -12.311
  738   3H5M    T   2          3H5M        T   2  -5.390  16.922 -11.904
  739    H6     T   2           H6         T   2  -4.161  19.238 -10.326
  740   1H5*    G   3          1H5*        G   3  -0.217  19.711  -4.568
  741   2H5*    G   3          2H5*        G   3   1.195  18.688  -4.248
  742    H4*    G   3           H4*        G   3  -0.755  18.497  -2.656
  743    H3*    G   3           H3*        G   3   0.932  16.494  -3.154
  744   1H2*    G   3          1H2*        G   3  -0.230  15.777  -5.199
  745   2H2*    G   3          2H2*        G   3  -0.836  14.591  -4.032
  746    H1*    G   3           H1*        G   3  -2.758  15.917  -3.510
  747    H8     G   3           H8         G   3  -1.326  16.083  -7.119
  748    H1     G   3           H1         G   3  -7.595  14.751  -6.648
  749   1H2     G   3           H21        G   3  -8.167  14.822  -4.400
  750   2H2     G   3           H22        G   3  -6.984  15.351  -3.225
  751   1H5*    G   4          1H5*        G   4  -2.583  16.077  -0.152
  752   2H5*    G   4          2H5*        G   4  -2.114  15.100   1.251
  753    H4*    G   4           H4*        G   4  -4.555  15.091   0.847
  754    H3*    G   4           H3*        G   4  -3.038  12.834   1.373
  755   1H2*    G   4          1H2*        G   4  -2.964  12.080  -0.899
  756   2H2*    G   4          2H2*        G   4  -4.436  11.222  -0.376
  757    H1*    G   4           H1*        G   4  -5.848  12.991  -1.170
  758    H8     G   4           H8         G   4  -2.479  13.377  -3.115
  759    H1     G   4           H1         G   4  -7.426  11.244  -6.608
  760   1H2     G   4           H21        G   4  -9.081  10.559  -5.109
  761   2H2     G   4           H22        G   4  -8.956  11.027  -3.425
  762   1H5*    A   5          1H5*        A   5  -7.613  11.500   0.830
  763   2H5*    A   5          2H5*        A   5  -7.931  10.277   2.078
  764    H4*    A   5           H4*        A   5  -8.787   9.517  -0.059
  765    H3*    A   5           H3*        A   5  -6.790   7.966   1.393
  766   1H2*    A   5          1H2*        A   5  -5.308   8.059  -0.392
  767   2H2*    A   5          2H2*        A   5  -6.274   6.690  -1.002
  768    H1*    A   5           H1*        A   5  -7.769   8.224  -2.197
  769    H8     A   5           H8         A   5  -4.075   9.482  -1.882
  770   1H6     A   5           H61        A   5  -4.015   9.151  -8.072
  771   2H6     A   5           H62        A   5  -3.056   9.510  -6.639
  772    H2     A   5           H2         A   5  -7.980   7.737  -6.660
  773   1H5*    T   6          1H5*        T   6 -10.211   6.081  -1.408
  774   2H5*    T   6          2H5*        T   6 -10.631   4.485  -0.752
  775    H4*    T   6           H4*        T   6 -10.829   4.560  -3.222
  776    H3*    T   6           H3*        T   6  -9.353   2.589  -1.768
  777   1H2*    T   6          1H2*        T   6  -7.321   3.242  -2.591
  778   2H2*    T   6          2H2*        T   6  -7.742   2.150  -3.923
  779    H1*    T   6           H1*        T   6  -8.842   3.991  -5.152
  780    H3     T   6           H3         T   6  -5.127   5.297  -7.422
  781   1H5M    T   6          1H5M        T   6  -3.155   5.116  -2.787
  782   2H5M    T   6          2H5M        T   6  -3.037   6.745  -3.476
  783   3H5M    T   6          3H5M        T   6  -4.219   6.401  -2.200
  784    H6     T   6           H6         T   6  -6.273   5.154  -2.755
  785   1H5*    G   7          1H5*        G   7 -11.957   1.158  -5.854
  786   2H5*    G   7          2H5*        G   7 -12.304  -0.531  -5.425
  787    H4*    G   7           H4*        G   7 -12.166  -0.297  -7.847
  788    H3*    G   7           H3*        G   7 -10.755  -2.269  -6.474
  789   1H2*    G   7          1H2*        G   7  -8.721  -1.133  -6.435
  790   2H2*    G   7          2H2*        G   7  -8.489  -2.048  -7.931
  791    H1*    G   7           H1*        G   7  -9.175  -0.215  -9.315
  792    H8     G   7           H8         G   7  -8.305   1.146  -5.793
  793    H1     G   7           H1         G   7  -3.818   2.425 -10.163
  794   1H2     G   7           H21        G   7  -4.516   1.771 -12.221
  795   2H2     G   7           H22        G   7  -6.048   0.934 -12.406
  796   1H5*    G   8          1H5*        G   8  -9.973  -2.120 -11.202
  797   2H5*    G   8          2H5*        G   8 -10.228  -3.795 -11.731
  798    H4*    G   8           H4*        G   8  -8.503  -2.780 -13.092
  799    H3*    G   8           H3*        G   8  -8.138  -5.224 -11.694
  800   1H2*    G   8          1H2*        G   8  -6.668  -4.274 -10.138
  801   2H2*    G   8          2H2*        G   8  -5.450  -4.755 -11.328
  802    H1*    G   8           H1*        G   8  -5.543  -2.560 -12.416
  803    H8     G   8           H8         G   8  -6.554  -2.488  -8.672
  804    H1     G   8           H1         G   8  -0.907   0.316  -9.824
  805   1H2     G   8           H21        G   8  -0.377   0.041 -12.048
  806   2H2     G   8           H22        G   8  -1.523  -0.716 -13.146
  807   1H5*    G   9          1H5*        G   9  -4.791  -3.688 -14.659
  808   2H5*    G   9          2H5*        G   9  -4.385  -5.077 -15.689
  809    H4*    G   9           H4*        G   9  -2.374  -3.853 -15.346
  810    H3*    G   9           H3*        G   9  -2.572  -6.592 -14.573
  811   1H2*    G   9          1H2*        G   9  -2.588  -5.921 -12.244
  812   2H2*    G   9          2H2*        G   9  -0.866  -6.266 -12.492
  813    H1*    G   9           H1*        G   9  -0.511  -3.902 -13.221
  814    H8     G   9           H8         G   9  -3.089  -4.384 -10.307
  815    H1     G   9           H1         G   9   2.501  -1.689  -8.639
  816   1H2     G   9           H21        G   9   3.816  -1.476 -10.552
  817   2H2     G   9           H22        G   9   3.178  -1.968 -12.115
  818   1H5*    A  10          1H5*        A  10   1.467  -4.196 -15.459
  819   2H5*    A  10          2H5*        A  10   2.230  -5.336 -16.586
  820    H4*    A  10           H4*        A  10   3.889  -3.818 -15.667
  821    H3*    A  10           H3*        A  10   4.150  -6.618 -15.697
  822   1H2*    A  10          1H2*        A  10   3.795  -6.906 -13.399
  823   2H2*    A  10          2H2*        A  10   5.556  -6.653 -13.333
  824    H1*    A  10           H1*        A  10   5.302  -4.317 -12.842
  825    H8     A  10           H8         A  10   1.934  -6.042 -12.015
  826   1H6     A  10           H61        A  10   2.960  -4.406  -6.147
  827   2H6     A  10           H62        A  10   1.872  -5.175  -7.285
  828    H2     A  10           H2         A  10   6.538  -3.225  -8.607
  829   1H5*    G  11          1H5*        G  11   7.774  -4.224 -14.121
  830   2H5*    G  11          2H5*        G  11   9.312  -4.873 -14.729
  831    H4*    G  11           H4*        G  11   9.454  -4.275 -12.355
  832    H3*    G  11           H3*        G  11  10.147  -6.905 -13.358
  833   1H2*    G  11          1H2*        G  11   8.461  -7.914 -12.020
  834   2H2*    G  11          2H2*        G  11   9.757  -7.868 -10.794
  835    H1*    G  11           H1*        G  11   9.019  -5.625 -10.083
  836    H8     G  11           H8         G  11   5.958  -7.772 -11.293
  837    H1     G  11           H1         G  11   6.094  -6.379  -5.022
  838   1H2     G  11           H21        G  11   8.197  -5.455  -4.548
  839   2H2     G  11           H22        G  11   9.265  -5.028  -5.869
  840   1H5*    A  12          1H5*        A  12  12.333  -4.530  -9.831
  841   2H5*    A  12          2H5*        A  12  14.051  -4.930 -10.015
  842    H4*    A  12           H4*        A  12  13.486  -4.273  -7.711
  843    H3*    A  12           H3*        A  12  15.061  -6.466  -8.360
  844   1H2*    A  12          1H2*        A  12  13.331  -8.070  -8.115
  845   2H2*    A  12          2H2*        A  12  13.992  -8.121  -6.467
  846    H1*    A  12           H1*        A  12  12.371  -6.559  -5.655
  847    H8     A  12           H8         A  12  11.055  -8.260  -8.931
  848   1H6     A  12           H61        A  12   6.210  -9.974  -5.526
  849   2H6     A  12           H62        A  12   6.982 -10.013  -7.113
  850    H2     A  12           H2         A  12   9.105  -7.893  -2.831
  851   1H5*    C  13          1H5*        C  13  14.261  -5.587  -3.753
  852   2H5*    C  13          2H5*        C  13  15.774  -5.820  -2.853
  853    H4*    C  13           H4*        C  13  13.810  -6.594  -1.575
  854    H3*    C  13           H3*        C  13  16.126  -8.267  -2.143
  855   1H2*    C  13          1H2*        C  13  14.861  -9.926  -3.126
  856   2H2*    C  13          2H2*        C  13  14.470 -10.398  -1.456
  857    H1*    C  13           H1*        C  13  12.503  -8.978  -1.431
  858   1H4     C  13           H41        C  13   9.935 -12.131  -6.783
  859   2H4     C  13           H42        C  13   8.835 -12.350  -5.439
  860    H5     C  13           H5         C  13  12.104 -10.968  -6.516
  861    H6     C  13           H6         C  13  13.478  -9.738  -4.955
  862   1H5*    C  14          1H5*        C  14  13.362  -9.316   1.409
  863   2H5*    C  14          2H5*        C  14  14.211 -10.062   2.781
  864    H4*    C  14           H4*        C  14  12.127 -11.269   2.119
  865    H3*    C  14           H3*        C  14  14.771 -12.684   1.952
  866   1H2*    C  14          1H2*        C  14  13.964 -14.099   0.408
  867   2H2*    C  14          2H2*        C  14  12.609 -14.571   1.469
  868    H1*    C  14           H1*        C  14  11.172 -12.918   0.666
  869   1H4     C  14           H41        C  14  12.489 -14.296  -5.756
  870   2H4     C  14           H42        C  14  10.880 -14.897  -5.402
  871    H5     C  14           H5         C  14  13.915 -13.270  -4.019
  872    H6     C  14           H6         C  14  13.982 -12.626  -1.652
  873   1H5*    G  15          1H5*        G  15  11.120 -14.751   3.834
  874   2H5*    G  15          2H5*        G  15  11.583 -15.876   5.128
  875    H4*    G  15           H4*        G  15   9.957 -16.898   3.596
  876    H3*    G  15           H3*        G  15  12.625 -18.111   4.011
  877   1H2*    G  15          1H2*        G  15  12.959 -18.378   1.751
  878   2H2*    G  15          2H2*        G  15  11.774 -19.711   1.887
  879    H1*    G  15           H1*        G  15   9.937 -18.220   1.362
  880    H8     G  15           H8         G  15  13.313 -16.940  -0.154
  881    H1     G  15           H1         G  15   8.769 -18.361  -4.470
  882   1H2     G  15           H21        G  15   6.911 -19.155  -3.345
  883   2H2     G  15           H22        G  15   6.935 -19.297  -1.599
  884    H3T    G  15           H3T        G  15  10.713 -18.827   5.020
  885   1H5*    C  16          1H5*        C  16   4.553 -24.103  -9.077
  886   2H5*    C  16          2H5*        C  16   2.949 -23.563  -9.615
  887    H4*    C  16           H4*        C  16   3.492 -22.697  -7.352
  888    H3*    C  16           H3*        C  16   2.926 -20.932  -9.666
  889   1H2*    C  16          1H2*        C  16   4.359 -19.340  -8.999
  890   2H2*    C  16          2H2*        C  16   3.421 -19.077  -7.523
  891    H1*    C  16           H1*        C  16   4.657 -20.677  -6.285
  892   1H4     C  16           H41        C  16  10.318 -17.539  -8.160
  893   2H4     C  16           H42        C  16  10.183 -17.373  -6.423
  894    H5     C  16           H5         C  16   8.673 -18.781  -9.494
  895    H6     C  16           H6         C  16   6.591 -19.996  -9.403
  896    H5T    C  16           H5T        C  16   4.124 -23.056 -11.304
  897   1H5*    G  17          1H5*        G  17   1.852 -20.477  -5.539
  898   2H5*    G  17          2H5*        G  17   0.273 -19.817  -5.103
  899    H4*    G  17           H4*        G  17   2.021 -19.046  -3.580
  900    H3*    G  17           H3*        G  17   0.385 -17.167  -5.063
  901   1H2*    G  17          1H2*        G  17   2.267 -16.223  -6.094
  902   2H2*    G  17          2H2*        G  17   2.327 -15.276  -4.576
  903    H1*    G  17           H1*        G  17   3.714 -17.014  -3.523
  904    H8     G  17           H8         G  17   4.379 -16.716  -7.371
  905    H1     G  17           H1         G  17   9.207 -14.921  -3.514
  906   1H2     G  17           H21        G  17   8.507 -15.215  -1.313
  907   2H2     G  17           H22        G  17   6.907 -15.840  -0.985
  908   1H5*    G  18          1H5*        G  18   1.446 -16.924  -0.480
  909   2H5*    G  18          2H5*        G  18   0.070 -16.118   0.297
  910    H4*    G  18           H4*        G  18   2.137 -15.877   1.608
  911    H3*    G  18           H3*        G  18   0.411 -13.779   1.016
  912   1H2*    G  18          1H2*        G  18   1.697 -12.899  -0.737
  913   2H2*    G  18          2H2*        G  18   2.405 -11.955   0.593
  914    H1*    G  18           H1*        G  18   4.240 -13.471   0.833
  915    H8     G  18           H8         G  18   2.653 -13.884  -2.752
  916    H1     G  18           H1         G  18   8.700 -11.768  -2.809
  917   1H2     G  18           H21        G  18   9.347 -11.314  -0.639
  918   2H2     G  18           H22        G  18   8.349 -11.828   0.710
  919   1H5*    T  19          1H5*        T  19   4.199 -12.596   3.422
  920   2H5*    T  19          2H5*        T  19   3.825 -11.443   4.721
  921    H4*    T  19           H4*        T  19   5.903 -10.861   3.497
  922    H3*    T  19           H3*        T  19   3.635  -9.010   3.777
  923   1H2*    T  19          1H2*        T  19   3.630  -8.534   1.538
  924   2H2*    T  19          2H2*        T  19   5.070  -7.559   1.855
  925    H1*    T  19           H1*        T  19   6.550  -9.431   1.413
  926    H3     T  19           H3         T  19   6.816  -9.153  -3.157
  927   1H5M    T  19          1H5M        T  19   2.487 -10.846  -3.593
  928   2H5M    T  19          2H5M        T  19   1.866 -10.913  -1.930
  929   3H5M    T  19          3H5M        T  19   1.855  -9.372  -2.811
  930    H6     T  19           H6         T  19   3.237 -10.025  -0.096
  931   1H5*    C  20          1H5*        C  20   7.902  -7.487   3.236
  932   2H5*    C  20          2H5*        C  20   8.273  -5.948   4.041
  933    H4*    C  20           H4*        C  20   9.045  -6.068   1.666
  934    H3*    C  20           H3*        C  20   7.301  -3.916   2.690
  935   1H2*    C  20          1H2*        C  20   5.882  -4.078   0.911
  936   2H2*    C  20          2H2*        C  20   7.173  -3.314  -0.053
  937    H1*    C  20           H1*        C  20   8.122  -5.461  -0.629
  938   1H4     C  20           H41        C  20   2.271  -7.094  -3.539
  939   2H4     C  20           H42        C  20   3.532  -7.070  -4.763
  940    H5     C  20           H5         C  20   2.786  -6.602  -1.151
  941    H6     C  20           H6         C  20   4.538  -5.950   0.371
  942   1H5*    T  21          1H5*        T  21  10.647  -3.407  -0.575
  943   2H5*    T  21          2H5*        T  21  11.386  -1.793  -0.511
  944    H4*    T  21           H4*        T  21  11.106  -2.690  -2.824
  945    H3*    T  21           H3*        T  21  10.247  -0.055  -1.968
  946   1H2*    T  21          1H2*        T  21   8.044  -0.422  -2.545
  947   2H2*    T  21          2H2*        T  21   8.597  -0.049  -4.200
  948    H1*    T  21           H1*        T  21   9.093  -2.386  -4.636
  949    H3     T  21           H3         T  21   5.016  -3.658  -6.110
  950   1H5M    T  21          1H5M        T  21   3.286  -3.605  -1.712
  951   2H5M    T  21          2H5M        T  21   4.583  -2.866  -0.760
  952   3H5M    T  21          3H5M        T  21   3.495  -1.844  -1.717
  953    H6     T  21           H6         T  21   6.613  -2.116  -1.863
  954   1H5*    C  22          1H5*        C  22  10.835  -0.538  -6.743
  955   2H5*    C  22          2H5*        C  22  11.321   1.039  -7.399
  956    H4*    C  22           H4*        C  22   9.468   0.040  -8.675
  957    H3*    C  22           H3*        C  22   8.833   2.535  -7.116
  958   1H2*    C  22          1H2*        C  22   6.614   2.179  -7.368
  959   2H2*    C  22          2H2*        C  22   6.763   1.776  -9.099
  960    H1*    C  22           H1*        C  22   7.145  -0.449  -8.780
  961   1H4     C  22           H41        C  22   2.145  -1.044  -4.386
  962   2H4     C  22           H42        C  22   1.528  -1.494  -5.968
  963    H5     C  22           H5         C  22   4.389  -0.044  -4.106
  964    H6     C  22           H6         C  22   6.472   0.417  -5.242
  965   1H5*    C  23          1H5*        C  23   7.572   2.383 -11.527
  966   2H5*    C  23          2H5*        C  23   7.384   4.016 -12.209
  967    H4*    C  23           H4*        C  23   5.481   2.584 -12.725
  968    H3*    C  23           H3*        C  23   4.887   4.864 -10.816
  969   1H2*    C  23          1H2*        C  23   2.738   4.149 -10.730
  970   2H2*    C  23          2H2*        C  23   2.706   3.573 -12.426
  971    H1*    C  23           H1*        C  23   3.407   1.500 -11.947
  972   1H4     C  23           H41        C  23   0.580   0.975  -5.900
  973   2H4     C  23           H42        C  23  -0.595   0.357  -7.027
  974    H5     C  23           H5         C  23   2.565   2.245  -6.623
  975    H6     C  23           H6         C  23   3.949   2.786  -8.535
  976   1H5*    C  24          1H5*        C  24   3.274   3.952 -14.819
  977   2H5*    C  24          2H5*        C  24   3.011   5.375 -15.845
  978    H4*    C  24           H4*        C  24   1.333   3.610 -16.260
  979    H3*    C  24           H3*        C  24   0.764   6.360 -15.698
  980   1H2*    C  24          1H2*        C  24  -0.361   5.991 -13.756
  981   2H2*    C  24          2H2*        C  24  -1.741   5.597 -14.813
  982    H1*    C  24           H1*        C  24  -1.313   3.256 -14.697
  983   1H4     C  24           H41        C  24  -0.688   3.321  -8.017
  984   2H4     C  24           H42        C  24  -2.164   2.448  -8.349
  985    H5     C  24           H5         C  24   0.602   4.401  -9.727
  986    H6     C  24           H6         C  24   0.813   4.814 -12.090
  987   1H5*    A  25          1H5*        A  25  -2.749   3.876 -17.038
  988   2H5*    A  25          2H5*        A  25  -3.675   4.630 -18.354
  989    H4*    A  25           H4*        A  25  -5.161   3.711 -16.615
  990    H3*    A  25           H3*        A  25  -5.229   6.467 -17.521
  991   1H2*    A  25          1H2*        A  25  -4.818   7.349 -15.436
  992   2H2*    A  25          2H2*        A  25  -6.548   7.057 -15.146
  993    H1*    A  25           H1*        A  25  -6.103   4.910 -14.134
  994    H8     A  25           H8         A  25  -3.004   7.296 -13.937
  995   1H6     A  25           H61        A  25  -2.309   7.084  -9.211
  996   2H6     A  25           H62        A  25  -3.142   6.350  -7.845
  997    H2     A  25           H2         A  25  -6.735   4.343  -9.640
  998   1H5*    T  26          1H5*        T  26  -8.630   4.473 -15.344
  999   2H5*    T  26          2H5*        T  26 -10.272   4.970 -15.805
 1000    H4*    T  26           H4*        T  26  -9.937   4.806 -13.344
 1001    H3*    T  26           H3*        T  26 -10.696   7.413 -14.634
 1002   1H2*    T  26          1H2*        T  26  -9.703   8.603 -12.996
 1003   2H2*    T  26          2H2*        T  26 -10.726   7.803 -11.776
 1004    H1*    T  26           H1*        T  26  -9.202   6.065 -11.397
 1005    H3     T  26           H3         T  26  -6.326   8.268  -8.653
 1006   1H5M    T  26          1H5M        T  26  -3.936   9.630 -12.548
 1007   2H5M    T  26          2H5M        T  26  -5.201   9.695 -13.787
 1008   3H5M    T  26          3H5M        T  26  -5.124  10.943 -12.525
 1009    H6     T  26           H6         T  26  -7.156   8.461 -13.370
 1010   1H5*    C  27          1H5*        C  27 -12.470   5.691 -10.897
 1011   2H5*    C  27          2H5*        C  27 -14.191   6.029 -10.615
 1012    H4*    C  27           H4*        C  27 -12.802   6.278  -8.567
 1013    H3*    C  27           H3*        C  27 -14.572   8.351  -9.609
 1014   1H2*    C  27          1H2*        C  27 -12.902   9.948  -9.650
 1015   2H2*    C  27          2H2*        C  27 -13.166  10.048  -7.890
 1016    H1*    C  27           H1*        C  27 -11.488   8.350  -7.470
 1017   1H4     C  27           H41        C  27  -6.757  12.047 -10.480
 1018   2H4     C  27           H42        C  27  -6.344  11.907  -8.786
 1019    H5     C  27           H5         C  27  -8.837  11.066 -11.411
 1020    H6     C  27           H6         C  27 -10.833   9.829 -10.853
 1021   1H5*    C  28          1H5*        C  28 -13.523   8.619  -5.049
 1022   2H5*    C  28          2H5*        C  28 -14.933   9.219  -4.146
 1023    H4*    C  28           H4*        C  28 -12.943  10.484  -3.519
 1024    H3*    C  28           H3*        C  28 -14.985  11.988  -5.179
 1025   1H2*    C  28          1H2*        C  28 -13.518  13.625  -5.597
 1026   2H2*    C  28          2H2*        C  28 -12.952  13.697  -3.900
 1027    H1*    C  28           H1*        C  28 -11.294  12.182  -4.183
 1028   1H4     C  28           H41        C  28  -9.176  14.179 -10.202
 1029   2H4     C  28           H42        C  28  -7.971  14.676  -9.040
 1030    H5     C  28           H5         C  28 -11.285  13.086  -9.549
 1031    H6     C  28           H6         C  28 -12.582  12.293  -7.649
 1032   1H5*    A  29          1H5*        A  29 -13.475  13.341  -1.088
 1033   2H5*    A  29          2H5*        A  29 -14.729  14.179  -0.153
 1034    H4*    A  29           H4*        A  29 -12.461  15.185   0.075
 1035    H3*    A  29           H3*        A  29 -14.849  16.619  -0.308
 1036   1H2*    A  29          1H2*        A  29 -14.450  17.142  -2.534
 1037   2H2*    A  29          2H2*        A  29 -13.606  18.543  -1.836
 1038    H1*    A  29           H1*        A  29 -11.478  17.440  -1.911
 1039    H8     A  29           H8         A  29 -14.109  16.323  -4.562
 1040   1H6     A  29           H61        A  29  -9.601  16.946  -8.734
 1041   2H6     A  29           H62        A  29 -11.298  16.582  -8.433
 1042    H2     A  29           H2         A  29  -7.900  17.923  -4.696
 1043   1H5*    A  30          1H5*        A  30 -10.830  19.009   0.955
 1044   2H5*    A  30          2H5*        A  30 -11.280  20.511   1.789
 1045    H4*    A  30           H4*        A  30  -9.414  20.921   0.254
 1046    H3*    A  30           H3*        A  30 -12.045  22.066  -0.811
 1047   1H2*    A  30          1H2*        A  30 -10.783  22.992  -2.554
 1048   2H2*    A  30          2H2*        A  30  -9.277  22.969  -1.596
 1049    H1*    A  30           H1*        A  30  -8.730  20.937  -2.396
 1050    H8     A  30           H8         A  30 -12.458  20.205  -3.193
 1051   1H6     A  30           H61        A  30 -10.633  19.847  -9.076
 1052   2H6     A  30           H62        A  30 -11.963  19.687  -7.929
 1053    H2     A  30           H2         A  30  -7.164  21.319  -6.649
 1054    H3T    A  30           H3T        A  30 -11.321  22.941   1.174
   
  No H/Q in entry =        1054
  Start of MODEL   12
    1    H    MET   1           H        MET   1   3.803 -21.706 -13.719
    2    HA   MET   1           HA       MET   1   3.460 -22.253 -16.630
    3   1HB   MET   1          2HB       MET   1   4.743 -24.039 -15.520
    4   2HB   MET   1          3HB       MET   1   3.462 -24.243 -14.316
    5   1HG   MET   1          2HG       MET   1   1.895 -24.962 -16.103
    6   2HG   MET   1          3HG       MET   1   3.134 -24.635 -17.320
    7   1HE   MET   1          2HE       MET   1   2.022 -26.931 -14.349
    8   2HE   MET   1          3HE       MET   1   3.321 -28.144 -14.317
    9   3HE   MET   1          1HE       MET   1   3.659 -26.481 -13.800
   10    H    LYS  11           H        LYS  11   1.911 -22.887 -13.452
   11    HA   LYS  11           HA       LYS  11  -0.770 -22.418 -14.672
   12   1HB   LYS  11          2HB       LYS  11  -0.440 -24.584 -13.511
   13   2HB   LYS  11          3HB       LYS  11  -0.001 -23.717 -12.027
   14   1HG   LYS  11          2HG       LYS  11  -2.246 -22.638 -12.006
   15   2HG   LYS  11          3HG       LYS  11  -2.688 -23.542 -13.470
   16   1HD   LYS  11          2HD       LYS  11  -2.332 -25.671 -12.193
   17   2HD   LYS  11          3HD       LYS  11  -1.944 -24.721 -10.748
   18   1HE   LYS  11          2HE       LYS  11  -4.603 -24.709 -12.263
   19   2HE   LYS  11          3HE       LYS  11  -4.289 -25.473 -10.697
   20   1HZ   LYS  11          1HZ       LYS  11  -3.809 -23.283  -9.818
   21   2HZ   LYS  11          2HZ       LYS  11  -4.188 -22.590 -11.266
   22   3HZ   LYS  11          3HZ       LYS  11  -5.344 -23.387 -10.407
   23    H    ARG  12           H        ARG  12  -2.075 -20.841 -13.911
   24    HA   ARG  12           HA       ARG  12  -1.116 -18.911 -11.844
   25   1HB   ARG  12          2HB       ARG  12  -2.284 -18.606 -14.623
   26   2HB   ARG  12          3HB       ARG  12  -2.711 -17.425 -13.376
   27   1HG   ARG  12          2HG       ARG  12  -0.948 -16.605 -14.769
   28   2HG   ARG  12          3HG       ARG  12  -0.382 -16.817 -13.113
   29   1HD   ARG  12          2HD       ARG  12   1.307 -17.532 -14.799
   30   2HD   ARG  12          3HD       ARG  12   0.829 -18.781 -13.651
   31    HE   ARG  12           HE       ARG  12   0.262 -20.109 -15.359
   32   1HH1  ARG  12          2HH1      ARG  12  -0.047 -16.819 -16.602
   33   2HH1  ARG  12          1HH1      ARG  12  -0.216 -17.334 -18.259
   34   1HH2  ARG  12          1HH2      ARG  12   0.209 -20.769 -17.408
   35   2HH2  ARG  12          2HH2      ARG  12  -0.138 -19.678 -18.741
   36    H    TYR  13           H        TYR  13  -3.073 -17.867 -10.796
   37    HA   TYR  13           HA       TYR  13  -5.257 -19.818 -10.396
   38   1HB   TYR  13          2HB       TYR  13  -4.968 -16.965  -9.392
   39   2HB   TYR  13          3HB       TYR  13  -6.128 -18.186  -8.854
   40    HD1  TYR  13           HD1      TYR  13  -5.193 -20.328  -7.727
   41    HD2  TYR  13           HD2      TYR  13  -3.021 -16.631  -8.167
   42    HE1  TYR  13           HE1      TYR  13  -4.001 -20.776  -5.606
   43    HE2  TYR  13           HE2      TYR  13  -1.882 -17.049  -6.039
   44    HH   TYR  13           HH       TYR  13  -2.544 -19.931  -4.021
   45    H    ILE  14           H        ILE  14  -7.059 -19.737 -11.728
   46    HA   ILE  14           HA       ILE  14  -7.272 -17.496 -13.655
   47    HB   ILE  14           HB       ILE  14  -8.534 -20.247 -13.765
   48   1HG1  ILE  14          2HG1      ILE  14  -5.923 -19.070 -14.772
   49   2HG1  ILE  14          3HG1      ILE  14  -6.185 -20.582 -13.890
   50   1HG2  ILE  14          2HG2      ILE  14  -9.732 -18.468 -15.074
   51   2HG2  ILE  14          3HG2      ILE  14  -8.196 -18.084 -15.886
   52   3HG2  ILE  14          1HG2      ILE  14  -8.980 -19.663 -16.108
   53   1HD1  ILE  14          3HD1      ILE  14  -7.324 -21.475 -15.970
   54   2HD1  ILE  14          1HD1      ILE  14  -6.786 -19.982 -16.800
   55   3HD1  ILE  14          2HD1      ILE  14  -5.593 -21.105 -16.139
   56    H    CYS  15           H        CYS  15  -9.071 -16.313 -13.928
   57    HA   CYS  15           HA       CYS  15 -10.736 -15.754 -11.697
   58   1HB   CYS  15          2HB       CYS  15 -10.152 -14.079 -13.271
   59   2HB   CYS  15          3HB       CYS  15 -10.780 -15.019 -14.626
   60    H    SER  16           H        SER  16 -12.417 -16.812 -10.919
   61    HA   SER  16           HA       SER  16 -13.456 -19.162 -11.657
   62   1HB   SER  16          2HB       SER  16 -15.125 -16.940 -10.415
   63   2HB   SER  16          3HB       SER  16 -15.141 -18.673 -10.034
   64    HG   SER  16           HG       SER  16 -12.998 -18.402  -9.217
   65    H    PHE  17           H        PHE  17 -14.609 -15.995 -12.787
   66    HA   PHE  17           HA       PHE  17 -16.890 -17.031 -14.254
   67   1HB   PHE  17          2HB       PHE  17 -15.508 -14.338 -14.453
   68   2HB   PHE  17          3HB       PHE  17 -17.126 -14.737 -15.004
   69    HD1  PHE  17           HD2      PHE  17 -18.911 -15.357 -13.279
   70    HD2  PHE  17           HD1      PHE  17 -15.076 -13.737 -12.143
   71    HE1  PHE  17           HE2      PHE  17 -19.741 -14.981 -10.974
   72    HE2  PHE  17           HE1      PHE  17 -15.869 -13.499  -9.815
   73    HZ   PHE  17           HZ       PHE  17 -18.218 -14.079  -9.231
   74    H    ALA  18           H        ALA  18 -15.257 -18.682 -15.150
   75    HA   ALA  18           HA       ALA  18 -13.310 -18.890 -16.697
   76   1HB   ALA  18          2HB       ALA  18 -14.985 -20.642 -16.538
   77   2HB   ALA  18          3HB       ALA  18 -16.035 -19.803 -17.698
   78   3HB   ALA  18          1HB       ALA  18 -14.465 -20.450 -18.223
   79    H    ASP  19           H        ASP  19 -16.170 -17.736 -18.527
   80    HA   ASP  19           HA       ASP  19 -15.084 -17.182 -20.961
   81   1HB   ASP  19          2HB       ASP  19 -17.134 -15.476 -19.485
   82   2HB   ASP  19          3HB       ASP  19 -16.876 -15.511 -21.235
   83    H    CYS  20           H        CYS  20 -14.803 -15.131 -18.093
   84    HA   CYS  20           HA       CYS  20 -13.856 -12.738 -19.178
   85   1HB   CYS  20          2HB       CYS  20 -14.583 -13.237 -16.825
   86   2HB   CYS  20          3HB       CYS  20 -13.045 -14.078 -16.583
   87    H    GLY  21           H        GLY  21 -12.138 -15.797 -18.572
   88   1HA   GLY  21          2HA       GLY  21 -10.068 -16.540 -19.109
   89   2HA   GLY  21          3HA       GLY  21 -10.091 -15.346 -20.413
   90    H    ALA  22           H        ALA  22 -10.198 -14.330 -17.023
   91    HA   ALA  22           HA       ALA  22  -7.549 -13.029 -17.327
   92   1HB   ALA  22          3HB       ALA  22  -9.681 -12.782 -15.168
   93   2HB   ALA  22          1HB       ALA  22  -8.168 -11.856 -15.256
   94   3HB   ALA  22          2HB       ALA  22  -9.405 -11.661 -16.517
   95    H    ALA  23           H        ALA  23  -5.761 -13.588 -15.980
   96    HA   ALA  23           HA       ALA  23  -6.109 -15.614 -13.920
   97   1HB   ALA  23          1HB       ALA  23  -5.902 -16.964 -16.004
   98   2HB   ALA  23          2HB       ALA  23  -4.390 -16.117 -16.394
   99   3HB   ALA  23          3HB       ALA  23  -4.476 -17.160 -14.960
  100    H    TYR  24           H        TYR  24  -4.354 -15.577 -12.426
  101    HA   TYR  24           HA       TYR  24  -2.049 -13.810 -13.005
  102   1HB   TYR  24          2HB       TYR  24  -3.823 -13.354 -10.579
  103   2HB   TYR  24          3HB       TYR  24  -2.391 -12.449 -11.032
  104    HD1  TYR  24           HD1      TYR  24  -2.497 -10.784 -12.931
  105    HD2  TYR  24           HD2      TYR  24  -5.963 -13.015 -11.708
  106    HE1  TYR  24           HE1      TYR  24  -3.953  -9.078 -13.967
  107    HE2  TYR  24           HE2      TYR  24  -7.423 -11.383 -12.857
  108    HH   TYR  24           HH       TYR  24  -6.114  -8.418 -14.388
  109    H    ASN  25           H        ASN  25  -0.273 -14.189 -11.534
  110    HA   ASN  25           HA       ASN  25  -0.320 -16.859 -10.313
  111   1HB   ASN  25          2HB       ASN  25   2.035 -16.536  -9.957
  112   2HB   ASN  25          3HB       ASN  25   1.636 -16.132 -11.632
  113   1HD2  ASN  25          1HD2      ASN  25   3.789 -13.459  -9.772
  114   2HD2  ASN  25          2HD2      ASN  25   3.864 -15.193  -9.587
  115    H    LYS  26           H        LYS  26  -0.168 -13.441  -9.332
  116    HA   LYS  26           HA       LYS  26   0.198 -14.018  -6.501
  117   1HB   LYS  26          2HB       LYS  26  -0.704 -11.538  -7.993
  118   2HB   LYS  26          3HB       LYS  26  -0.305 -11.585  -6.276
  119   1HG   LYS  26          2HG       LYS  26   1.618 -12.121  -8.588
  120   2HG   LYS  26          3HG       LYS  26   1.427 -10.604  -7.712
  121   1HD   LYS  26          2HD       LYS  26   2.147 -11.750  -5.591
  122   2HD   LYS  26          3HD       LYS  26   2.379 -13.247  -6.505
  123   1HE   LYS  26          2HE       LYS  26   4.497 -12.091  -6.201
  124   2HE   LYS  26          3HE       LYS  26   4.082 -12.176  -7.915
  125   1HZ   LYS  26          3HZ       LYS  26   3.297  -9.875  -7.707
  126   2HZ   LYS  26          1HZ       LYS  26   3.817  -9.846  -6.138
  127   3HZ   LYS  26          2HZ       LYS  26   4.886 -10.039  -7.366
  128    H    ASN  27           H        ASN  27  -1.407 -14.780  -5.184
  129    HA   ASN  27           HA       ASN  27  -4.091 -15.114  -5.985
  130   1HB   ASN  27          2HB       ASN  27  -3.071 -16.329  -4.059
  131   2HB   ASN  27          3HB       ASN  27  -3.027 -14.815  -3.144
  132   1HD2  ASN  27          1HD2      ASN  27  -6.619 -16.732  -3.734
  133   2HD2  ASN  27          2HD2      ASN  27  -5.226 -17.187  -4.705
  134    H    TRP  28           H        TRP  28  -2.620 -12.536  -3.979
  135    HA   TRP  28           HA       TRP  28  -4.912 -11.048  -3.379
  136   1HB   TRP  28          2HB       TRP  28  -3.515  -9.252  -2.901
  137   2HB   TRP  28          3HB       TRP  28  -2.681 -10.707  -2.393
  138    HD1  TRP  28           HD1      TRP  28  -0.273 -11.043  -3.274
  139    HE1  TRP  28           HE1      TRP  28   1.325  -9.759  -4.796
  140    HE3  TRP  28           HE3      TRP  28  -3.557  -7.606  -5.229
  141    HZ2  TRP  28           HZ2      TRP  28   1.209  -7.550  -6.652
  142    HZ3  TRP  28           HZ3      TRP  28  -2.776  -5.926  -6.840
  143    HH2  TRP  28           HH2      TRP  28  -0.418  -5.894  -7.590
  144    H    LYS  29           H        LYS  29  -2.895 -10.985  -6.331
  145    HA   LYS  29           HA       LYS  29  -4.167  -8.696  -7.493
  146   1HB   LYS  29          2HB       LYS  29  -1.917  -9.661  -7.985
  147   2HB   LYS  29          3HB       LYS  29  -2.719 -10.954  -8.914
  148   1HG   LYS  29          2HG       LYS  29  -3.710  -9.234 -10.392
  149   2HG   LYS  29          3HG       LYS  29  -2.907  -7.953  -9.467
  150   1HD   LYS  29          2HD       LYS  29  -1.410 -10.247 -10.827
  151   2HD   LYS  29          3HD       LYS  29  -1.734  -8.695 -11.604
  152   1HE   LYS  29          2HE       LYS  29  -0.451  -7.519  -9.841
  153   2HE   LYS  29          3HE       LYS  29  -0.112  -9.056  -9.035
  154   1HZ   LYS  29          1HZ       LYS  29   0.730  -8.375 -11.749
  155   2HZ   LYS  29          2HZ       LYS  29   1.682  -8.390 -10.401
  156   3HZ   LYS  29          3HZ       LYS  29   1.032  -9.795 -10.968
  157    H    LEU  30           H        LEU  30  -4.664 -12.286  -7.836
  158    HA   LEU  30           HA       LEU  30  -6.834 -11.945  -9.627
  159   1HB   LEU  30          2HB       LEU  30  -5.781 -14.132  -9.373
  160   2HB   LEU  30          3HB       LEU  30  -6.252 -14.184  -7.669
  161    HG   LEU  30           HG       LEU  30  -8.649 -14.193  -8.315
  162   1HD1  LEU  30          1HD1      LEU  30  -8.472 -13.017 -10.550
  163   2HD1  LEU  30          2HD1      LEU  30  -7.653 -14.455 -11.197
  164   3HD1  LEU  30          3HD1      LEU  30  -9.325 -14.546 -10.634
  165   1HD2  LEU  30          3HD2      LEU  30  -7.322 -16.281  -8.010
  166   2HD2  LEU  30          1HD2      LEU  30  -8.745 -16.459  -9.069
  167   3HD2  LEU  30          2HD2      LEU  30  -7.130 -16.329  -9.786
  168    H    GLN  31           H        GLN  31  -6.688 -11.901  -6.024
  169    HA   GLN  31           HA       GLN  31  -9.527 -11.829  -5.644
  170   1HB   GLN  31          2HB       GLN  31  -7.431 -10.460  -3.918
  171   2HB   GLN  31          3HB       GLN  31  -9.101 -10.795  -3.521
  172   1HG   GLN  31          2HG       GLN  31  -6.740 -12.631  -3.547
  173   2HG   GLN  31          3HG       GLN  31  -8.061 -12.544  -2.414
  174   1HE2  GLN  31          1HE2      GLN  31  -8.215 -15.165  -5.539
  175   2HE2  GLN  31          2HE2      GLN  31  -6.873 -14.036  -5.328
  176    H    ALA  32           H        ALA  32  -7.137  -9.222  -6.083
  177    HA   ALA  32           HA       ALA  32  -8.957  -7.046  -5.991
  178   1HB   ALA  32          3HB       ALA  32  -6.468  -6.883  -5.849
  179   2HB   ALA  32          1HB       ALA  32  -6.354  -7.326  -7.564
  180   3HB   ALA  32          2HB       ALA  32  -7.145  -5.804  -7.094
  181    H    HIS  33           H        HIS  33  -8.081  -9.216  -8.690
  182    HA   HIS  33           HA       HIS  33  -9.647  -7.733 -10.621
  183   1HB   HIS  33          2HB       HIS  33  -7.911  -9.286 -11.286
  184   2HB   HIS  33          3HB       HIS  33  -8.779 -10.637 -10.555
  185    HD1  HIS  33           HD1      HIS  33  -8.553  -8.776 -13.754
  186    HD2  HIS  33           HD2      HIS  33 -11.239 -11.294 -11.712
  187    HE1  HIS  33           HE1      HIS  33 -10.347  -9.481 -15.448
  188    H    LEU  34           H        LEU  34 -10.333 -10.779  -8.846
  189    HA   LEU  34           HA       LEU  34 -12.971 -11.170  -9.583
  190   1HB   LEU  34          2HB       LEU  34 -11.600 -11.816  -6.968
  191   2HB   LEU  34          3HB       LEU  34 -13.212 -12.386  -7.378
  192    HG   LEU  34           HG       LEU  34 -10.773 -13.030  -9.062
  193   1HD1  LEU  34          3HD1      LEU  34 -10.575 -13.988  -6.784
  194   2HD1  LEU  34          1HD1      LEU  34 -12.200 -14.686  -6.931
  195   3HD1  LEU  34          2HD1      LEU  34 -10.889 -15.260  -7.980
  196   1HD2  LEU  34          3HD2      LEU  34 -13.600 -14.175  -9.017
  197   2HD2  LEU  34          1HD2      LEU  34 -12.872 -13.233 -10.339
  198   3HD2  LEU  34          2HD2      LEU  34 -12.245 -14.833  -9.947
  199    H    SER  35           H        SER  35 -11.764  -8.955  -7.076
  200    HA   SER  35           HA       SER  35 -14.144  -8.423  -5.746
  201   1HB   SER  35          2HB       SER  35 -13.216  -6.389  -5.028
  202   2HB   SER  35          3HB       SER  35 -11.857  -7.520  -5.194
  203    HG   SER  35           HG       SER  35 -11.429  -6.505  -7.235
  204    H    LYS  36           H        LYS  36 -13.202  -7.348  -9.016
  205    HA   LYS  36           HA       LYS  36 -15.153  -5.311  -9.385
  206   1HB   LYS  36          2HB       LYS  36 -13.969  -7.297 -11.371
  207   2HB   LYS  36          3HB       LYS  36 -14.861  -5.832 -11.799
  208   1HG   LYS  36          2HG       LYS  36 -13.161  -4.407 -10.806
  209   2HG   LYS  36          3HG       LYS  36 -12.265  -5.807 -10.188
  210   1HD   LYS  36          2HD       LYS  36 -11.912  -6.650 -12.474
  211   2HD   LYS  36          3HD       LYS  36 -12.821  -5.276 -13.147
  212   1HE   LYS  36          2HE       LYS  36 -11.157  -3.700 -12.232
  213   2HE   LYS  36          3HE       LYS  36 -10.292  -5.050 -11.463
  214   1HZ   LYS  36          3HZ       LYS  36 -10.661  -4.697 -14.355
  215   2HZ   LYS  36          2HZ       LYS  36  -9.281  -4.372 -13.510
  216   3HZ   LYS  36          1HZ       LYS  36  -9.828  -5.919 -13.618
  217    H    HIS  37           H        HIS  37 -15.332  -8.855  -9.681
  218    HA   HIS  37           HA       HIS  37 -18.077  -8.776 -10.786
  219   1HB   HIS  37          2HB       HIS  37 -16.285 -11.088 -10.006
  220   2HB   HIS  37          3HB       HIS  37 -17.820 -11.205 -10.859
  221    HD1  HIS  37           HD1      HIS  37 -17.784 -10.598 -13.475
  222    HD2  HIS  37           HD2      HIS  37 -14.141 -10.866 -11.423
  223    HE1  HIS  37           HE1      HIS  37 -16.006 -11.198 -15.205
  224    H    THR  38           H        THR  38 -16.345  -9.982  -7.933
  225    HA   THR  38           HA       THR  38 -18.738 -10.996  -6.628
  226    HB   THR  38           HB       THR  38 -17.166 -11.732  -4.929
  227    HG1  THR  38          1HG       THR  38 -15.163 -10.396  -6.438
  228   1HG2  THR  38          1HG2      THR  38 -17.312 -13.102  -6.983
  229   2HG2  THR  38          2HG2      THR  38 -15.955 -12.198  -7.693
  230   3HG2  THR  38          3HG2      THR  38 -15.704 -13.173  -6.238
  231    H    GLY  39           H        GLY  39 -16.718  -8.073  -6.257
  232   1HA   GLY  39          2HA       GLY  39 -17.083  -6.219  -4.944
  233   2HA   GLY  39          3HA       GLY  39 -18.534  -6.958  -4.253
  234    H    GLU  40           H        GLU  40 -15.877  -9.179  -4.113
  235    HA   GLU  40           HA       GLU  40 -15.753  -8.893  -1.215
  236   1HB   GLU  40          2HB       GLU  40 -14.312 -10.682  -3.211
  237   2HB   GLU  40          3HB       GLU  40 -14.061 -10.759  -1.463
  238   1HG   GLU  40          2HG       GLU  40 -16.410 -11.290  -1.063
  239   2HG   GLU  40          3HG       GLU  40 -16.792 -11.106  -2.777
  240    H    LYS  41           H        LYS  41 -14.145  -8.021   0.006
  241    HA   LYS  41           HA       LYS  41 -11.648  -7.013  -1.285
  242   1HB   LYS  41          2HB       LYS  41 -13.223  -5.391   0.731
  243   2HB   LYS  41          3HB       LYS  41 -11.824  -4.927  -0.246
  244   1HG   LYS  41          2HG       LYS  41 -13.394  -5.442  -2.304
  245   2HG   LYS  41          3HG       LYS  41 -14.692  -5.424  -1.094
  246   1HD   LYS  41          2HD       LYS  41 -14.730  -3.232  -1.799
  247   2HD   LYS  41          3HD       LYS  41 -13.644  -3.129  -0.399
  248   1HE   LYS  41          2HE       LYS  41 -11.691  -3.362  -2.023
  249   2HE   LYS  41          3HE       LYS  41 -12.857  -3.297  -3.361
  250   1HZ   LYS  41          1HZ       LYS  41 -13.518  -1.125  -2.501
  251   2HZ   LYS  41          2HZ       LYS  41 -12.354  -1.252  -1.331
  252   3HZ   LYS  41          3HZ       LYS  41 -11.920  -1.165  -2.915
  253    HA   PRO  42           HA       PRO  42 -11.066 -10.111   2.088
  254   1HB   PRO  42          2HB       PRO  42  -8.407 -10.206   0.669
  255   2HB   PRO  42          3HB       PRO  42  -9.352 -11.553   1.360
  256   1HG   PRO  42          2HG       PRO  42  -9.394 -11.011  -1.301
  257   2HG   PRO  42          3HG       PRO  42 -10.913 -11.459  -0.457
  258   1HD   PRO  42          2HD       PRO  42  -9.922  -8.758  -1.315
  259   2HD   PRO  42          3HD       PRO  42 -11.564  -9.440  -1.370
  260    H    PHE  43           H        PHE  43  -9.130  -7.202   1.505
  261    HA   PHE  43           HA       PHE  43  -7.723  -7.580   4.129
  262   1HB   PHE  43          2HB       PHE  43  -6.955  -6.060   1.635
  263   2HB   PHE  43          3HB       PHE  43  -6.178  -5.874   3.188
  264    HD1  PHE  43           HD1      PHE  43  -6.848  -8.367   0.464
  265    HD2  PHE  43           HD2      PHE  43  -4.650  -7.510   4.078
  266    HE1  PHE  43           HE1      PHE  43  -5.402 -10.316   0.046
  267    HE2  PHE  43           HE2      PHE  43  -3.235  -9.499   3.675
  268    HZ   PHE  43           HZ       PHE  43  -3.580 -10.888   1.643
  269    HA   PRO  44           HA       PRO  44 -10.703  -4.108   4.712
  270   1HB   PRO  44          2HB       PRO  44 -11.848  -4.806   7.058
  271   2HB   PRO  44          3HB       PRO  44 -12.327  -5.584   5.524
  272   1HG   PRO  44          2HG       PRO  44 -10.311  -6.633   7.545
  273   2HG   PRO  44          3HG       PRO  44 -11.709  -7.505   6.849
  274   1HD   PRO  44          2HD       PRO  44  -9.202  -7.751   5.818
  275   2HD   PRO  44          3HD       PRO  44 -10.651  -7.705   4.762
  276    H    CYS  45           H        CYS  45 -10.424  -2.305   6.058
  277    HA   CYS  45           HA       CYS  45  -7.900  -2.202   7.650
  278   1HB   CYS  45          2HB       CYS  45  -8.376  -0.501   5.862
  279   2HB   CYS  45          3HB       CYS  45  -9.847  -0.076   6.731
  280    H    LYS  46           H        LYS  46  -8.705  -3.471   9.460
  281    HA   LYS  46           HA       LYS  46 -11.272  -2.882  10.637
  282   1HB   LYS  46          2HB       LYS  46  -8.950  -4.506  11.691
  283   2HB   LYS  46          3HB       LYS  46 -10.570  -4.502  12.380
  284   1HG   LYS  46          2HG       LYS  46  -9.798  -5.431   9.583
  285   2HG   LYS  46          3HG       LYS  46 -10.228  -6.453  10.946
  286   1HD   LYS  46          2HD       LYS  46 -12.066  -4.563   9.409
  287   2HD   LYS  46          3HD       LYS  46 -12.106  -6.320   9.421
  288   1HE   LYS  46          2HE       LYS  46 -12.786  -4.486  11.765
  289   2HE   LYS  46          3HE       LYS  46 -13.912  -5.430  10.790
  290   1HZ   LYS  46          1HZ       LYS  46 -12.847  -7.420  11.582
  291   2HZ   LYS  46          2HZ       LYS  46 -11.809  -6.536  12.512
  292   3HZ   LYS  46          3HZ       LYS  46 -13.425  -6.516  12.834
  293    H    GLU  47           H        GLU  47 -10.198  -0.414  10.579
  294    HA   GLU  47           HA       GLU  47  -9.432   0.250  13.385
  295   1HB   GLU  47          2HB       GLU  47  -9.515   1.892  10.821
  296   2HB   GLU  47          3HB       GLU  47  -9.212   2.552  12.440
  297   1HG   GLU  47          2HG       GLU  47  -7.277   0.894  12.632
  298   2HG   GLU  47          3HG       GLU  47  -7.486   0.567  10.904
  299    H    GLU  48           H        GLU  48 -10.738   1.732  14.563
  300    HA   GLU  48           HA       GLU  48 -13.563   1.389  14.279
  301   1HB   GLU  48          2HB       GLU  48 -11.947   3.467  15.842
  302   2HB   GLU  48          3HB       GLU  48 -13.682   3.197  15.983
  303   1HG   GLU  48          2HG       GLU  48 -12.691   2.060  17.815
  304   2HG   GLU  48          3HG       GLU  48 -13.250   0.823  16.684
  305    H    GLY  49           H        GLY  49 -15.006   2.548  13.035
  306   1HA   GLY  49          2HA       GLY  49 -15.894   4.260  11.776
  307   2HA   GLY  49          3HA       GLY  49 -14.523   5.295  12.197
  308    H    CYS  50           H        CYS  50 -12.341   4.153  11.200
  309    HA   CYS  50           HA       CYS  50 -12.649   4.409   8.308
  310   1HB   CYS  50          2HB       CYS  50 -10.841   5.465   9.493
  311   2HB   CYS  50          3HB       CYS  50 -10.266   3.933  10.129
  312    H    GLU  51           H        GLU  51 -14.206   2.308   8.856
  313    HA   GLU  51           HA       GLU  51 -12.771  -0.220   8.635
  314   1HB   GLU  51          2HB       GLU  51 -14.866   0.134   9.959
  315   2HB   GLU  51          3HB       GLU  51 -15.747   0.263   8.421
  316   1HG   GLU  51          2HG       GLU  51 -15.024  -2.012   7.809
  317   2HG   GLU  51          3HG       GLU  51 -13.969  -2.085   9.232
  318    H    LYS  52           H        LYS  52 -11.638   0.806   6.735
  319    HA   LYS  52           HA       LYS  52 -13.070   0.874   4.189
  320   1HB   LYS  52          2HB       LYS  52 -10.077   0.645   4.644
  321   2HB   LYS  52          3HB       LYS  52 -10.873   1.180   3.177
  322   1HG   LYS  52          2HG       LYS  52 -10.973   2.646   5.860
  323   2HG   LYS  52          3HG       LYS  52  -9.842   2.996   4.564
  324   1HD   LYS  52          2HD       LYS  52 -11.614   3.709   3.070
  325   2HD   LYS  52          3HD       LYS  52 -12.870   3.100   4.160
  326   1HE   LYS  52          2HE       LYS  52 -12.692   5.542   4.306
  327   2HE   LYS  52          3HE       LYS  52 -12.340   4.754   5.851
  328   1HZ   LYS  52          2HZ       LYS  52 -10.341   5.779   3.956
  329   2HZ   LYS  52          3HZ       LYS  52 -10.795   6.489   5.371
  330   3HZ   LYS  52          1HZ       LYS  52 -10.015   5.039   5.398
  331    H    GLY  53           H        GLY  53 -12.321  -0.502   2.325
  332   1HA   GLY  53          2HA       GLY  53 -11.868  -3.371   3.059
  333   2HA   GLY  53          3HA       GLY  53 -13.103  -2.839   1.925
  334    H    PHE  54           H        PHE  54  -9.770  -3.650   2.265
  335    HA   PHE  54           HA       PHE  54  -9.211  -2.655  -0.494
  336   1HB   PHE  54          2HB       PHE  54  -7.354  -3.023   1.852
  337   2HB   PHE  54          3HB       PHE  54  -6.803  -2.883   0.195
  338    HD1  PHE  54           HD1      PHE  54  -7.494  -0.836  -1.207
  339    HD2  PHE  54           HD2      PHE  54  -8.180  -1.032   3.043
  340    HE1  PHE  54           HE1      PHE  54  -7.785   1.599  -1.151
  341    HE2  PHE  54           HE2      PHE  54  -8.485   1.425   3.086
  342    HZ   PHE  54           HZ       PHE  54  -8.336   2.743   0.991
  343    H    THR  55           H        THR  55  -7.938  -4.088  -1.871
  344    HA   THR  55           HA       THR  55  -8.838  -6.879  -1.552
  345    HB   THR  55           HB       THR  55  -8.085  -6.796  -4.009
  346    HG1  THR  55          1HG       THR  55  -8.204  -4.502  -4.719
  347   1HG2  THR  55          2HG2      THR  55 -10.361  -5.028  -2.993
  348   2HG2  THR  55          3HG2      THR  55 -10.201  -5.607  -4.657
  349   3HG2  THR  55          1HG2      THR  55 -10.445  -6.766  -3.342
  350    H    SER  56           H        SER  56  -5.854  -5.185  -1.011
  351    HA   SER  56           HA       SER  56  -4.502  -7.792  -0.980
  352   1HB   SER  56          2HB       SER  56  -2.732  -7.217  -2.417
  353   2HB   SER  56          3HB       SER  56  -4.207  -6.756  -3.285
  354    HG   SER  56           HG       SER  56  -2.921  -5.018  -3.467
  355    H    LEU  57           H        LEU  57  -2.542  -7.745   0.225
  356    HA   LEU  57           HA       LEU  57  -2.625  -6.123   2.521
  357   1HB   LEU  57          2HB       LEU  57  -1.431  -8.297   2.402
  358   2HB   LEU  57          3HB       LEU  57  -0.259  -7.604   1.278
  359    HG   LEU  57           HG       LEU  57   0.543  -6.068   3.018
  360   1HD1  LEU  57          3HD1      LEU  57  -1.580  -7.367   4.787
  361   2HD1  LEU  57          1HD1      LEU  57  -0.245  -6.364   5.388
  362   3HD1  LEU  57          2HD1      LEU  57  -1.476  -5.645   4.351
  363   1HD2  LEU  57          2HD2      LEU  57   1.530  -8.324   2.821
  364   2HD2  LEU  57          1HD2      LEU  57   1.568  -7.742   4.494
  365   3HD2  LEU  57          3HD2      LEU  57   0.357  -8.945   4.002
  366    H    HIS  58           H        HIS  58  -0.870  -5.793  -0.594
  367    HA   HIS  58           HA       HIS  58   0.643  -3.489   0.130
  368   1HB   HIS  58          2HB       HIS  58   1.325  -4.557  -1.867
  369   2HB   HIS  58          3HB       HIS  58  -0.269  -4.596  -2.520
  370    HD1  HIS  58           HD1      HIS  58  -0.917  -2.764  -4.178
  371    HD2  HIS  58           HD2      HIS  58   1.834  -1.558  -1.252
  372    HE1  HIS  58           HE1      HIS  58  -0.710  -0.244  -4.352
  373    H    HIS  59           H        HIS  59  -2.567  -3.717  -1.589
  374    HA   HIS  59           HA       HIS  59  -2.969  -0.938  -1.780
  375   1HB   HIS  59          2HB       HIS  59  -5.092  -3.065  -1.374
  376   2HB   HIS  59          3HB       HIS  59  -5.346  -1.433  -2.011
  377    HD1  HIS  59           HD1      HIS  59  -6.020  -4.207  -3.648
  378    HD2  HIS  59           HD2      HIS  59  -2.771  -1.560  -4.109
  379    HE1  HIS  59           HE1      HIS  59  -5.039  -4.642  -5.968
  380    HE2  HIS  59           HE2      HIS  59  -3.055  -3.059  -6.253
  381    H    LEU  60           H        LEU  60  -3.732  -3.171   0.914
  382    HA   LEU  60           HA       LEU  60  -4.919  -1.204   2.589
  383   1HB   LEU  60          2HB       LEU  60  -5.057  -3.709   2.847
  384   2HB   LEU  60          3HB       LEU  60  -3.378  -3.712   3.394
  385    HG   LEU  60           HG       LEU  60  -4.047  -2.210   5.307
  386   1HD1  LEU  60          2HD1      LEU  60  -6.847  -2.741   4.194
  387   2HD1  LEU  60          1HD1      LEU  60  -6.512  -2.155   5.835
  388   3HD1  LEU  60          3HD1      LEU  60  -6.080  -1.158   4.447
  389   1HD2  LEU  60          3HD2      LEU  60  -3.873  -4.692   5.511
  390   2HD2  LEU  60          2HD2      LEU  60  -5.076  -3.984   6.607
  391   3HD2  LEU  60          1HD2      LEU  60  -5.609  -4.816   5.138
  392    H    THR  61           H        THR  61  -1.528  -2.316   2.270
  393    HA   THR  61           HA       THR  61  -0.455  -0.801   4.419
  394    HB   THR  61           HB       THR  61   0.919  -1.800   1.904
  395    HG1  THR  61          1HG       THR  61  -0.069  -3.415   3.196
  396   1HG2  THR  61          3HG2      THR  61   2.054  -0.945   4.602
  397   2HG2  THR  61          2HG2      THR  61   2.964  -1.754   3.313
  398   3HG2  THR  61          1HG2      THR  61   2.328  -0.124   3.049
  399    H    ARG  62           H        ARG  62  -0.654  -0.020   0.869
  400    HA   ARG  62           HA       ARG  62   0.597   2.503   1.270
  401   1HB   ARG  62          2HB       ARG  62   0.211   3.059  -0.929
  402   2HB   ARG  62          3HB       ARG  62   0.493   1.324  -0.873
  403   1HG   ARG  62          2HG       ARG  62  -1.266   1.450  -2.344
  404   2HG   ARG  62          3HG       ARG  62  -2.126   1.158  -0.830
  405   1HD   ARG  62          2HD       ARG  62  -3.351   2.986  -1.553
  406   2HD   ARG  62          3HD       ARG  62  -2.049   3.919  -0.855
  407    HE   ARG  62           HE       ARG  62  -1.047   4.253  -2.945
  408   1HH1  ARG  62          2HH2      ARG  62  -3.930   2.230  -3.305
  409   2HH1  ARG  62          1HH2      ARG  62  -4.288   2.757  -4.916
  410   1HH2  ARG  62          2HH1      ARG  62  -1.448   4.904  -5.110
  411   2HH2  ARG  62          1HH1      ARG  62  -2.802   4.207  -5.972
  412    H    HIS  63           H        HIS  63  -2.872   1.488   1.386
  413    HA   HIS  63           HA       HIS  63  -3.956   4.103   1.827
  414   1HB   HIS  63          2HB       HIS  63  -5.441   2.263   1.442
  415   2HB   HIS  63          3HB       HIS  63  -4.784   1.330   2.780
  416    HD1  HIS  63           HD1      HIS  63  -6.591   4.760   2.454
  417    HD2  HIS  63           HD2      HIS  63  -6.018   1.513   5.071
  418    HE1  HIS  63           HE1      HIS  63  -7.904   5.277   4.562
  419    H    SER  64           H        SER  64  -2.479   1.746   4.100
  420    HA   SER  64           HA       SER  64  -2.882   3.257   6.449
  421   1HB   SER  64          2HB       SER  64  -0.562   1.368   5.919
  422   2HB   SER  64          3HB       SER  64  -1.188   1.900   7.479
  423    HG   SER  64           HG       SER  64  -2.680   0.437   5.534
  424    H    LEU  65           H        LEU  65  -0.771   4.099   3.785
  425    HA   LEU  65           HA       LEU  65   1.229   5.547   5.221
  426   1HB   LEU  65          2HB       LEU  65  -0.046   6.192   2.550
  427   2HB   LEU  65          3HB       LEU  65   1.399   6.955   3.197
  428    HG   LEU  65           HG       LEU  65   1.257   3.966   2.734
  429   1HD1  LEU  65          2HD1      LEU  65   0.897   5.210   0.592
  430   2HD1  LEU  65          3HD1      LEU  65   2.365   6.144   0.928
  431   3HD1  LEU  65          1HD1      LEU  65   2.475   4.398   0.621
  432   1HD2  LEU  65          1HD2      LEU  65   3.593   5.881   3.094
  433   2HD2  LEU  65          2HD2      LEU  65   3.050   4.652   4.267
  434   3HD2  LEU  65          3HD2      LEU  65   3.728   4.154   2.714
  435    H    THR  66           H        THR  66  -2.179   6.224   4.427
  436    HA   THR  66           HA       THR  66  -2.132   9.008   5.075
  437    HB   THR  66           HB       THR  66  -4.530   8.857   5.177
  438    HG1  THR  66          1HG       THR  66  -4.301   6.036   5.018
  439   1HG2  THR  66          1HG2      THR  66  -3.487   8.725   2.913
  440   2HG2  THR  66          2HG2      THR  66  -3.567   6.952   2.972
  441   3HG2  THR  66          3HG2      THR  66  -5.054   7.902   3.008
  442    H    HIS  67           H        HIS  67  -2.338   6.097   7.069
  443    HA   HIS  67           HA       HIS  67  -3.182   7.529   9.491
  444   1HB   HIS  67          2HB       HIS  67  -2.215   4.663   9.088
  445   2HB   HIS  67          3HB       HIS  67  -2.984   5.320  10.530
  446    HD1  HIS  67           HD1      HIS  67  -4.982   6.803   7.941
  447    HD2  HIS  67           HD2      HIS  67  -4.357   2.860   9.262
  448    HE1  HIS  67           HE1      HIS  67  -6.973   5.467   7.153
  449    H    THR  68           H        THR  68  -0.332   5.719   8.359
  450    HA   THR  68           HA       THR  68   1.315   6.330  10.626
  451    HB   THR  68           HB       THR  68   3.151   5.473   9.134
  452    HG1  THR  68          1HG       THR  68   1.040   5.043   7.282
  453   1HG2  THR  68          2HG2      THR  68   0.587   3.799   9.185
  454   2HG2  THR  68          3HG2      THR  68   2.232   3.191   8.921
  455   3HG2  THR  68          1HG2      THR  68   1.792   3.907  10.485
  456    H    GLY  69           H        GLY  69   0.679   8.049   7.591
  457   1HA   GLY  69          2HA       GLY  69   1.099  10.227   7.065
  458   2HA   GLY  69          3HA       GLY  69   1.891  10.476   8.627
  459    H    GLU  70           H        GLU  70   2.888   7.835   6.511
  460    HA   GLU  70           HA       GLU  70   5.589   8.953   6.299
  461   1HB   GLU  70          2HB       GLU  70   4.363   6.383   5.276
  462   2HB   GLU  70          3HB       GLU  70   6.080   6.771   5.197
  463   1HG   GLU  70          2HG       GLU  70   4.445   6.538   7.746
  464   2HG   GLU  70          3HG       GLU  70   5.543   5.303   7.120
  465    H    LYS  71           H        LYS  71   4.235  10.773   5.208
  466    HA   LYS  71           HA       LYS  71   3.814  10.624   2.311
  467   1HB   LYS  71          2HB       LYS  71   2.472  11.931   3.953
  468   2HB   LYS  71          3HB       LYS  71   3.914  12.851   4.381
  469   1HG   LYS  71          2HG       LYS  71   3.941  13.800   2.048
  470   2HG   LYS  71          3HG       LYS  71   2.425  12.920   1.725
  471   1HD   LYS  71          2HD       LYS  71   1.437  14.026   3.792
  472   2HD   LYS  71          3HD       LYS  71   2.914  14.985   3.944
  473   1HE   LYS  71          2HE       LYS  71   0.974  15.030   1.596
  474   2HE   LYS  71          3HE       LYS  71   1.057  16.228   2.893
  475   1HZ   LYS  71          1HZ       LYS  71   3.317  16.711   2.216
  476   2HZ   LYS  71          2HZ       LYS  71   3.173  15.691   0.925
  477   3HZ   LYS  71          3HZ       LYS  71   2.220  17.017   1.025
  478    H    ASN  72           H        ASN  72   6.120   9.642   2.294
  479    HA   ASN  72           HA       ASN  72   8.288  11.677   2.631
  480   1HB   ASN  72          2HB       ASN  72   8.476   8.673   2.344
  481   2HB   ASN  72          3HB       ASN  72   9.769   9.775   2.846
  482   1HD2  ASN  72          1HD2      ASN  72   8.302   8.053   5.860
  483   2HD2  ASN  72          2HD2      ASN  72   9.016   7.502   4.355
  484    H    PHE  73           H        PHE  73   6.579  10.393  -0.033
  485    HA   PHE  73           HA       PHE  73   8.923  10.025  -1.723
  486   1HB   PHE  73          2HB       PHE  73   5.991  10.279  -2.441
  487   2HB   PHE  73          3HB       PHE  73   7.293   9.861  -3.551
  488    HD1  PHE  73           HD1      PHE  73   8.871   7.876  -2.829
  489    HD2  PHE  73           HD2      PHE  73   5.028   8.597  -1.054
  490    HE1  PHE  73           HE1      PHE  73   8.923   5.628  -1.835
  491    HE2  PHE  73           HE2      PHE  73   5.039   6.327  -0.074
  492    HZ   PHE  73           HZ       PHE  73   7.020   4.848  -0.401
  493    H    THR  74           H        THR  74  10.057  11.798  -1.385
  494    HA   THR  74           HA       THR  74   9.152  14.490  -1.892
  495    HB   THR  74           HB       THR  74  11.939  13.388  -1.452
  496    HG1  THR  74          1HG       THR  74  10.428  12.812   0.227
  497   1HG2  THR  74          1HG2      THR  74  10.735  16.158  -0.992
  498   2HG2  THR  74          2HG2      THR  74  12.369  15.648  -0.523
  499   3HG2  THR  74          3HG2      THR  74  11.934  15.729  -2.238
  500    H    CYS  75           H        CYS  75   9.084  15.472  -3.843
  501    HA   CYS  75           HA       CYS  75  10.055  14.323  -6.291
  502   1HB   CYS  75          2HB       CYS  75   8.292  15.881  -6.447
  503   2HB   CYS  75          3HB       CYS  75   9.116  17.074  -5.430
  504    H    ASP  76           H        ASP  76  12.190  14.046  -6.720
  505    HA   ASP  76           HA       ASP  76  14.245  15.457  -5.254
  506   1HB   ASP  76          2HB       ASP  76  14.510  13.133  -5.907
  507   2HB   ASP  76          3HB       ASP  76  14.392  13.564  -7.628
  508    H    SER  77           H        SER  77  13.351  17.607  -5.881
  509    HA   SER  77           HA       SER  77  14.913  18.713  -8.130
  510   1HB   SER  77          2HB       SER  77  12.606  18.147  -9.016
  511   2HB   SER  77          3HB       SER  77  11.929  19.246  -7.802
  512    HG   SER  77           HG       SER  77  13.774  19.898  -9.880
  513    H    ASP  78           H        ASP  78  16.084  20.266  -7.133
  514    HA   ASP  78           HA       ASP  78  15.786  21.137  -4.524
  515   1HB   ASP  78          2HB       ASP  78  16.996  22.666  -6.872
  516   2HB   ASP  78          3HB       ASP  78  17.283  23.012  -5.161
  517    H    GLY  79           H        GLY  79  14.584  22.681  -3.471
  518   1HA   GLY  79          2HA       GLY  79  13.223  24.547  -3.183
  519   2HA   GLY  79          3HA       GLY  79  13.203  24.852  -4.929
  520    H    CYS  80           H        CYS  80  12.260  22.685  -6.108
  521    HA   CYS  80           HA       CYS  80   9.475  22.435  -5.187
  522   1HB   CYS  80          2HB       CYS  80  10.007  22.758  -7.545
  523   2HB   CYS  80          3HB       CYS  80  10.963  21.283  -7.571
  524    H    ASP  81           H        ASP  81  11.048  21.458  -3.184
  525    HA   ASP  81           HA       ASP  81  11.336  18.529  -3.436
  526   1HB   ASP  81          2HB       ASP  81  11.766  20.397  -1.090
  527   2HB   ASP  81          3HB       ASP  81  12.139  18.669  -1.122
  528    H    LEU  82           H        LEU  82   8.848  19.001  -4.095
  529    HA   LEU  82           HA       LEU  82   6.977  19.179  -1.889
  530   1HB   LEU  82          2HB       LEU  82   6.702  18.305  -4.782
  531   2HB   LEU  82          3HB       LEU  82   5.327  18.424  -3.672
  532    HG   LEU  82           HG       LEU  82   7.158  20.742  -4.452
  533   1HD1  LEU  82          1HD1      LEU  82   5.857  19.868  -6.361
  534   2HD1  LEU  82          3HD1      LEU  82   4.357  20.011  -5.420
  535   3HD1  LEU  82          2HD1      LEU  82   5.275  21.467  -5.869
  536   1HD2  LEU  82          3HD2      LEU  82   4.507  20.657  -2.929
  537   2HD2  LEU  82          1HD2      LEU  82   6.082  21.169  -2.279
  538   3HD2  LEU  82          2HD2      LEU  82   5.289  22.135  -3.523
  539    H    ARG  83           H        ARG  83   6.226  17.607  -0.602
  540    HA   ARG  83           HA       ARG  83   7.202  14.828  -0.945
  541   1HB   ARG  83          2HB       ARG  83   5.919  16.335   1.364
  542   2HB   ARG  83          3HB       ARG  83   6.343  14.620   1.375
  543   1HG   ARG  83          2HG       ARG  83   8.713  15.160   0.941
  544   2HG   ARG  83          3HG       ARG  83   8.333  16.887   0.883
  545   1HD   ARG  83          2HD       ARG  83   9.292  16.265   3.027
  546   2HD   ARG  83          3HD       ARG  83   7.616  16.833   3.235
  547    HE   ARG  83           HE       ARG  83   7.276  14.133   3.017
  548   1HH1  ARG  83          2HH1      ARG  83   9.312  16.076   5.163
  549   2HH1  ARG  83          1HH1      ARG  83   9.270  14.896   6.448
  550   1HH2  ARG  83          1HH2      ARG  83   7.200  12.674   4.584
  551   2HH2  ARG  83          2HH2      ARG  83   8.047  12.853   6.103
  552    H    PHE  84           H        PHE  84   5.869  13.203  -1.555
  553    HA   PHE  84           HA       PHE  84   2.937  13.775  -1.743
  554   1HB   PHE  84          2HB       PHE  84   4.707  12.102  -3.533
  555   2HB   PHE  84          3HB       PHE  84   2.961  12.212  -3.679
  556    HD1  PHE  84           HD1      PHE  84   6.148  14.129  -4.045
  557    HD2  PHE  84           HD2      PHE  84   1.889  14.121  -4.773
  558    HE1  PHE  84           HE1      PHE  84   6.362  16.185  -5.351
  559    HE2  PHE  84           HE2      PHE  84   2.147  16.157  -6.148
  560    HZ   PHE  84           HZ       PHE  84   4.339  17.309  -6.264
  561    H    THR  85           H        THR  85   1.499  11.968  -1.549
  562    HA   THR  85           HA       THR  85   2.092  10.239   0.677
  563    HB   THR  85           HB       THR  85  -0.215   9.344  -0.037
  564    HG1  THR  85          1HG       THR  85  -1.273  10.807  -1.490
  565   1HG2  THR  85          2HG2      THR  85   0.156  11.091   1.718
  566   2HG2  THR  85          3HG2      THR  85   0.011  12.347   0.468
  567   3HG2  THR  85          1HG2      THR  85  -1.365  11.280   0.844
  568    H    THR  86           H        THR  86   1.403   9.548  -2.791
  569    HA   THR  86           HA       THR  86   2.756   6.893  -2.412
  570    HB   THR  86           HB       THR  86   1.375   6.096  -4.257
  571    HG1  THR  86          1HG       THR  86  -0.233   8.374  -4.140
  572   1HG2  THR  86          3HG2      THR  86  -0.229   7.296  -1.953
  573   2HG2  THR  86          1HG2      THR  86  -0.891   6.186  -3.154
  574   3HG2  THR  86          2HG2      THR  86   0.414   5.645  -2.086
  575    H    LYS  87           H        LYS  87   4.097   6.146  -4.084
  576    HA   LYS  87           HA       LYS  87   5.764   8.052  -5.343
  577   1HB   LYS  87          2HB       LYS  87   5.222   5.105  -5.932
  578   2HB   LYS  87          3HB       LYS  87   6.456   6.064  -6.776
  579   1HG   LYS  87          2HG       LYS  87   7.578   6.610  -4.727
  580   2HG   LYS  87          3HG       LYS  87   6.376   5.755  -3.746
  581   1HD   LYS  87          2HD       LYS  87   8.032   4.410  -5.919
  582   2HD   LYS  87          3HD       LYS  87   8.639   4.569  -4.274
  583   1HE   LYS  87          2HE       LYS  87   5.998   3.181  -4.929
  584   2HE   LYS  87          3HE       LYS  87   7.562   2.364  -4.763
  585   1HZ   LYS  87          3HZ       LYS  87   7.721   3.144  -2.551
  586   2HZ   LYS  87          1HZ       LYS  87   6.284   3.942  -2.658
  587   3HZ   LYS  87          2HZ       LYS  87   6.322   2.297  -2.746
  588    H    ALA  88           H        ALA  88   2.849   6.310  -6.524
  589    HA   ALA  88           HA       ALA  88   3.125   7.258  -9.196
  590   1HB   ALA  88          2HB       ALA  88   1.837   5.354  -8.567
  591   2HB   ALA  88          3HB       ALA  88   0.587   6.384  -7.804
  592   3HB   ALA  88          1HB       ALA  88   0.900   6.494  -9.564
  593    H    ASN  89           H        ASN  89   1.537   8.756  -6.301
  594    HA   ASN  89           HA       ASN  89   0.421  10.960  -7.798
  595   1HB   ASN  89          2HB       ASN  89   1.259  10.722  -4.878
  596   2HB   ASN  89          3HB       ASN  89   0.520  12.168  -5.577
  597   1HD2  ASN  89          1HD2      ASN  89  -2.211  10.050  -4.084
  598   2HD2  ASN  89          2HD2      ASN  89  -0.697  10.678  -3.403
  599    H    MET  90           H        MET  90   3.583  10.452  -6.188
  600    HA   MET  90           HA       MET  90   4.750  12.968  -6.819
  601   1HB   MET  90          2HB       MET  90   5.785  11.318  -5.286
  602   2HB   MET  90          3HB       MET  90   6.031  10.222  -6.632
  603   1HG   MET  90          2HG       MET  90   7.538  11.922  -7.703
  604   2HG   MET  90          3HG       MET  90   7.360  12.906  -6.247
  605   1HE   MET  90          2HE       MET  90   8.543   9.464  -7.761
  606   2HE   MET  90          3HE       MET  90   9.499   8.784  -6.415
  607   3HE   MET  90          1HE       MET  90   7.743   8.845  -6.294
  608    H    LYS  91           H        LYS  91   4.605   9.925  -8.733
  609    HA   LYS  91           HA       LYS  91   6.043  10.940 -10.989
  610   1HB   LYS  91          2HB       LYS  91   3.986   8.718 -10.788
  611   2HB   LYS  91          3HB       LYS  91   4.919   9.070 -12.236
  612   1HG   LYS  91          2HG       LYS  91   6.163   8.277  -9.556
  613   2HG   LYS  91          3HG       LYS  91   5.835   7.202 -10.921
  614   1HD   LYS  91          2HD       LYS  91   7.327   8.824 -12.305
  615   2HD   LYS  91          3HD       LYS  91   7.823   9.498 -10.726
  616   1HE   LYS  91          2HE       LYS  91   8.529   7.249  -9.985
  617   2HE   LYS  91          3HE       LYS  91   8.024   6.567 -11.551
  618   1HZ   LYS  91          3HZ       LYS  91   9.654   7.952 -12.605
  619   2HZ   LYS  91          1HZ       LYS  91  10.128   8.577 -11.154
  620   3HZ   LYS  91          2HZ       LYS  91  10.356   6.977 -11.479
  621    H    LYS  92           H        LYS  92   2.477  10.871 -10.376
  622    HA   LYS  92           HA       LYS  92   1.729  12.052 -12.838
  623   1HB   LYS  92          2HB       LYS  92   0.452  12.458 -10.085
  624   2HB   LYS  92          3HB       LYS  92  -0.222  12.981 -11.636
  625   1HG   LYS  92          2HG       LYS  92   0.209  10.372 -12.214
  626   2HG   LYS  92          3HG       LYS  92  -0.057  10.226 -10.476
  627   1HD   LYS  92          2HD       LYS  92  -1.957  11.592 -12.457
  628   2HD   LYS  92          3HD       LYS  92  -2.087   9.933 -11.878
  629   1HE   LYS  92          2HE       LYS  92  -3.658  11.255 -10.671
  630   2HE   LYS  92          3HE       LYS  92  -2.389  10.742  -9.542
  631   1HZ   LYS  92          3HZ       LYS  92  -2.579  13.382 -10.823
  632   2HZ   LYS  92          1HZ       LYS  92  -3.049  13.037  -9.283
  633   3HZ   LYS  92          2HZ       LYS  92  -1.463  12.924  -9.699
  634    H    HIS  93           H        HIS  93   2.663  13.659  -9.743
  635    HA   HIS  93           HA       HIS  93   2.511  16.332 -10.738
  636   1HB   HIS  93          2HB       HIS  93   2.807  16.165  -8.431
  637   2HB   HIS  93          3HB       HIS  93   4.124  15.002  -8.556
  638    HD1  HIS  93           HD1      HIS  93   3.582  18.809  -9.148
  639    HD2  HIS  93           HD2      HIS  93   6.590  15.894  -8.687
  640    HE1  HIS  93           HE1      HIS  93   5.805  20.048  -9.082
  641    H    PHE  94           H        PHE  94   5.343  14.107 -10.592
  642    HA   PHE  94           HA       PHE  94   7.146  15.835 -11.772
  643   1HB   PHE  94          2HB       PHE  94   7.607  13.577 -10.702
  644   2HB   PHE  94          3HB       PHE  94   7.190  12.840 -12.248
  645    HD1  PHE  94           HD2      PHE  94   9.597  14.989 -10.422
  646    HD2  PHE  94           HD1      PHE  94   8.681  13.179 -14.233
  647    HE1  PHE  94           HE2      PHE  94  11.832  15.638 -11.270
  648    HE2  PHE  94           HE1      PHE  94  10.916  13.831 -15.073
  649    HZ   PHE  94           HZ       PHE  94  12.495  15.061 -13.598
  650    H    ASN  95           H        ASN  95   4.980  13.571 -13.366
  651    HA   ASN  95           HA       ASN  95   5.729  13.996 -16.066
  652   1HB   ASN  95          2HB       ASN  95   3.251  13.011 -14.656
  653   2HB   ASN  95          3HB       ASN  95   3.181  13.354 -16.381
  654   1HD2  ASN  95          1HD2      ASN  95   5.105  10.015 -15.052
  655   2HD2  ASN  95          2HD2      ASN  95   4.474  11.210 -13.918
  656    H    ARG  96           H        ARG  96   2.871  15.256 -14.363
  657    HA   ARG  96           HA       ARG  96   1.996  17.134 -16.188
  658   1HB   ARG  96          2HB       ARG  96   0.672  16.339 -14.375
  659   2HB   ARG  96          3HB       ARG  96   1.805  16.967 -13.172
  660   1HG   ARG  96          2HG       ARG  96   1.164  19.235 -13.593
  661   2HG   ARG  96          3HG       ARG  96   0.304  18.801 -15.070
  662   1HD   ARG  96          2HD       ARG  96  -1.073  19.274 -12.923
  663   2HD   ARG  96          3HD       ARG  96  -1.507  17.901 -13.943
  664    HE   ARG  96           HE       ARG  96   0.302  17.190 -11.780
  665   1HH1  ARG  96          1HH2      ARG  96  -3.093  17.811 -12.574
  666   2HH1  ARG  96          2HH2      ARG  96  -3.713  16.691 -11.384
  667   1HH2  ARG  96          2HH1      ARG  96  -0.519  15.797 -10.185
  668   2HH2  ARG  96          1HH1      ARG  96  -2.248  15.614  -9.946
  669    H    PHE  97           H        PHE  97   4.520  17.608 -13.720
  670    HA   PHE  97           HA       PHE  97   4.707  20.497 -14.395
  671   1HB   PHE  97          2HB       PHE  97   5.821  18.831 -12.131
  672   2HB   PHE  97          3HB       PHE  97   6.344  20.465 -12.476
  673    HD1  PHE  97           HD2      PHE  97   3.020  18.668 -12.136
  674    HD2  PHE  97           HD1      PHE  97   5.412  22.109 -11.110
  675    HE1  PHE  97           HE2      PHE  97   1.100  19.654 -10.960
  676    HE2  PHE  97           HE1      PHE  97   3.557  22.961  -9.714
  677    HZ   PHE  97           HZ       PHE  97   1.402  21.720  -9.607
  678    H    HIS  98           H        HIS  98   7.160  17.902 -13.778
  679    HA   HIS  98           HA       HIS  98   9.136  19.534 -15.136
  680   1HB   HIS  98          2HB       HIS  98   9.327  16.781 -13.881
  681   2HB   HIS  98          3HB       HIS  98  10.684  17.732 -14.492
  682    HD1  HIS  98           HD1      HIS  98  10.990  20.236 -13.192
  683    HD2  HIS  98           HD2      HIS  98   8.592  17.297 -11.383
  684    HE1  HIS  98           HE1      HIS  98  10.639  20.951 -10.763
  685    H    ASN  99           H        ASN  99   7.363  16.517 -15.985
  686    HA   ASN  99           HA       ASN  99   9.073  16.117 -18.316
  687   1HB   ASN  99          2HB       ASN  99   7.676  14.355 -17.113
  688   2HB   ASN  99          3HB       ASN  99   6.297  14.970 -18.059
  689   1HD2  ASN  99          1HD2      ASN  99   8.079  13.925 -21.198
  690   2HD2  ASN  99          2HD2      ASN  99   7.539  15.480 -20.582
  691    H    ILE 100           H        ILE 100   6.054  17.864 -17.660
  692    HA   ILE 100           HA       ILE 100   5.620  18.545 -20.488
  693    HB   ILE 100           HB       ILE 100   4.523  19.742 -17.923
  694   1HG1  ILE 100          2HG1      ILE 100   3.734  17.437 -18.362
  695   2HG1  ILE 100          3HG1      ILE 100   2.444  18.628 -18.448
  696   1HG2  ILE 100          3HG2      ILE 100   3.841  20.403 -20.809
  697   2HG2  ILE 100          1HG2      ILE 100   2.806  20.815 -19.423
  698   3HG2  ILE 100          2HG2      ILE 100   4.428  21.497 -19.546
  699   1HD1  ILE 100          2HD1      ILE 100   2.519  18.523 -20.935
  700   2HD1  ILE 100          3HD1      ILE 100   3.810  17.301 -20.833
  701   3HD1  ILE 100          1HD1      ILE 100   2.202  16.952 -20.191
  702    H    LYS 101           H        LYS 101   6.911  20.345 -17.598
  703    HA   LYS 101           HA       LYS 101   8.108  22.352 -19.441
  704   1HB   LYS 101          2HB       LYS 101   8.206  22.266 -16.411
  705   2HB   LYS 101          3HB       LYS 101   8.577  23.624 -17.469
  706   1HG   LYS 101          2HG       LYS 101   5.815  22.380 -17.060
  707   2HG   LYS 101          3HG       LYS 101   6.406  23.888 -16.364
  708   1HD   LYS 101          2HD       LYS 101   6.683  24.844 -18.653
  709   2HD   LYS 101          3HD       LYS 101   6.037  23.343 -19.348
  710   1HE   LYS 101          2HE       LYS 101   3.916  23.670 -18.080
  711   2HE   LYS 101          3HE       LYS 101   4.550  25.193 -17.427
  712   1HZ   LYS 101          3HZ       LYS 101   4.104  24.601 -20.268
  713   2HZ   LYS 101          1HZ       LYS 101   3.153  25.549 -19.314
  714   3HZ   LYS 101          2HZ       LYS 101   4.693  26.017 -19.663
  715   1H5*    T   1          1H5*        T   1  -6.888  25.074 -14.331
  716   2H5*    T   1          2H5*        T   1  -5.522  24.292 -15.164
  717    H4*    T   1           H4*        T   1  -5.336  24.509 -12.592
  718    H3*    T   1           H3*        T   1  -4.825  22.088 -14.215
  719   1H2*    T   1          1H2*        T   1  -5.903  20.713 -12.764
  720   2H2*    T   1          2H2*        T   1  -4.611  21.037 -11.582
  721    H1*    T   1           H1*        T   1  -5.779  22.900 -10.646
  722    H3     T   1           H3         T   1  -8.665  20.791  -7.812
  723   1H5M    T   1          1H5M        T   1 -10.021  19.196 -12.763
  724   2H5M    T   1          2H5M        T   1 -11.011  18.835 -11.340
  725   3H5M    T   1          3H5M        T   1 -11.218  20.382 -12.186
  726    H6     T   1           H6         T   1  -8.293  20.952 -12.599
  727    H5T    T   1           H5T        T   1  -7.769  22.904 -14.175
  728   1H5*    T   2          1H5*        T   2  -2.317  22.885 -10.358
  729   2H5*    T   2          2H5*        T   2  -0.694  22.181 -10.463
  730    H4*    T   2           H4*        T   2  -1.828  21.675  -8.309
  731    H3*    T   2           H3*        T   2  -1.183  19.370 -10.144
  732   1H2*    T   2          1H2*        T   2  -2.697  18.040  -9.103
  733   2H2*    T   2          2H2*        T   2  -2.115  18.505  -7.476
  734    H1*    T   2           H1*        T   2  -3.545  20.210  -7.225
  735    H3     T   2           H3         T   2  -7.567  18.070  -6.836
  736   1H5M    T   2          1H5M        T   2  -7.937  17.737 -11.499
  737   2H5M    T   2          2H5M        T   2  -6.390  18.351 -12.106
  738   3H5M    T   2          3H5M        T   2  -6.525  16.668 -11.534
  739    H6     T   2           H6         T   2  -4.620  18.911 -10.530
  740   1H5*    G   3          1H5*        G   3  -0.048  19.520  -5.583
  741   2H5*    G   3          2H5*        G   3   1.368  18.531  -5.181
  742    H4*    G   3           H4*        G   3  -0.585  18.406  -3.580
  743    H3*    G   3           H3*        G   3   1.092  16.376  -4.013
  744   1H2*    G   3          1H2*        G   3  -0.145  15.552  -5.994
  745   2H2*    G   3          2H2*        G   3  -0.721  14.443  -4.733
  746    H1*    G   3           H1*        G   3  -2.588  15.859  -4.187
  747    H8     G   3           H8         G   3  -1.391  15.673  -7.868
  748    H1     G   3           H1         G   3  -7.708  14.905  -6.922
  749   1H2     G   3           H21        G   3  -8.077  15.007  -4.647
  750   2H2     G   3           H22        G   3  -6.758  15.369  -3.562
  751   1H5*    G   4          1H5*        G   4  -2.079  16.373  -0.674
  752   2H5*    G   4          2H5*        G   4  -1.482  15.522   0.765
  753    H4*    G   4           H4*        G   4  -3.954  15.553   0.652
  754    H3*    G   4           H3*        G   4  -2.461  13.290   1.202
  755   1H2*    G   4          1H2*        G   4  -2.583  12.392  -1.004
  756   2H2*    G   4          2H2*        G   4  -4.011  11.585  -0.313
  757    H1*    G   4           H1*        G   4  -5.478  13.288  -1.133
  758    H8     G   4           H8         G   4  -2.188  13.397  -3.264
  759    H1     G   4           H1         G   4  -7.455  11.629  -6.475
  760   1H2     G   4           H21        G   4  -9.150  11.267  -4.920
  761   2H2     G   4           H22        G   4  -8.925  11.795  -3.265
  762   1H5*    A   5          1H5*        A   5  -7.070  12.364   0.958
  763   2H5*    A   5          2H5*        A   5  -7.519  11.246   2.265
  764    H4*    A   5           H4*        A   5  -8.554  10.546   0.167
  765    H3*    A   5           H3*        A   5  -6.708   8.794   1.625
  766   1H2*    A   5          1H2*        A   5  -5.376   8.500  -0.220
  767   2H2*    A   5          2H2*        A   5  -6.621   7.330  -0.728
  768    H1*    A   5           H1*        A   5  -7.847   9.065  -1.925
  769    H8     A   5           H8         A   5  -4.002   9.721  -1.781
  770   1H6     A   5           H61        A   5  -4.285   9.177  -7.964
  771   2H6     A   5           H62        A   5  -3.213   9.517  -6.612
  772    H2     A   5           H2         A   5  -8.280   8.245  -6.316
  773   1H5*    T   6          1H5*        T   6 -10.655   7.255  -0.570
  774   2H5*    T   6          2H5*        T   6 -11.220   5.795   0.275
  775    H4*    T   6           H4*        T   6 -11.666   5.730  -2.183
  776    H3*    T   6           H3*        T   6 -10.213   3.653  -0.700
  777   1H2*    T   6          1H2*        T   6  -8.432   3.639  -2.095
  778   2H2*    T   6          2H2*        T   6  -9.482   2.817  -3.265
  779    H1*    T   6           H1*        T   6 -10.111   4.856  -4.330
  780    H3     T   6           H3         T   6  -6.380   5.484  -6.954
  781   1H5M    T   6          1H5M        T   6  -4.835   6.765  -2.024
  782   2H5M    T   6          2H5M        T   6  -4.345   5.077  -2.215
  783   3H5M    T   6          3H5M        T   6  -3.665   6.323  -3.273
  784    H6     T   6           H6         T   6  -7.135   5.501  -2.203
  785   1H5*    G   7          1H5*        G   7 -12.532   2.408  -4.644
  786   2H5*    G   7          2H5*        G   7 -13.167   0.760  -4.459
  787    H4*    G   7           H4*        G   7 -12.133   1.102  -6.672
  788    H3*    G   7           H3*        G   7 -11.241  -1.016  -4.842
  789   1H2*    G   7          1H2*        G   7  -9.059  -0.403  -4.972
  790   2H2*    G   7          2H2*        G   7  -9.077  -1.193  -6.568
  791    H1*    G   7           H1*        G   7  -9.626   0.886  -7.682
  792    H8     G   7           H8         G   7  -7.902   1.685  -4.261
  793    H1     G   7           H1         G   7  -4.173   2.675  -9.349
  794   1H2     G   7           H21        G   7  -5.180   1.924 -11.232
  795   2H2     G   7           H22        G   7  -6.793   1.234 -11.154
  796   1H5*    G   8          1H5*        G   8 -10.527  -1.378  -9.411
  797   2H5*    G   8          2H5*        G   8 -10.897  -3.037  -9.919
  798    H4*    G   8           H4*        G   8  -8.936  -2.294 -11.104
  799    H3*    G   8           H3*        G   8  -8.849  -4.618  -9.394
  800   1H2*    G   8          1H2*        G   8  -7.331  -3.565  -7.953
  801   2H2*    G   8          2H2*        G   8  -6.145  -4.261  -9.077
  802    H1*    G   8           H1*        G   8  -6.190  -2.187 -10.433
  803    H8     G   8           H8         G   8  -6.898  -1.609  -6.645
  804    H1     G   8           H1         G   8  -1.115   0.450  -8.567
  805   1H2     G   8           H21        G   8  -0.884   0.011 -10.822
  806   2H2     G   8           H22        G   8  -2.212  -0.713 -11.715
  807   1H5*    G   9          1H5*        G   9  -5.968  -3.635 -12.932
  808   2H5*    G   9          2H5*        G   9  -5.807  -5.125 -13.883
  809    H4*    G   9           H4*        G   9  -3.827  -3.719 -14.137
  810    H3*    G   9           H3*        G   9  -3.713  -6.453 -13.537
  811   1H2*    G   9          1H2*        G   9  -3.331  -5.987 -11.173
  812   2H2*    G   9          2H2*        G   9  -1.693  -6.274 -11.770
  813    H1*    G   9           H1*        G   9  -1.434  -3.867 -12.272
  814    H8     G   9           H8         G   9  -3.774  -4.393  -9.174
  815    H1     G   9           H1         G   9   1.928  -1.669  -7.965
  816   1H2     G   9           H21        G   9   3.139  -1.595  -9.943
  817   2H2     G   9           H22        G   9   2.385  -2.162 -11.424
  818   1H5*    A  10          1H5*        A  10   0.287  -3.847 -14.600
  819   2H5*    A  10          2H5*        A  10   0.900  -4.851 -15.926
  820    H4*    A  10           H4*        A  10   2.715  -3.574 -15.011
  821    H3*    A  10           H3*        A  10   2.795  -6.387 -15.285
  822   1H2*    A  10          1H2*        A  10   2.692  -6.820 -12.993
  823   2H2*    A  10          2H2*        A  10   4.459  -6.655 -13.107
  824    H1*    A  10           H1*        A  10   4.376  -4.329 -12.460
  825    H8     A  10           H8         A  10   1.105  -6.065 -11.354
  826   1H6     A  10           H61        A  10   2.623  -4.484  -5.593
  827   2H6     A  10           H62        A  10   1.453  -5.267  -6.642
  828    H2     A  10           H2         A  10   5.998  -3.301  -8.315
  829   1H5*    G  11          1H5*        G  11   6.682  -4.216 -14.024
  830   2H5*    G  11          2H5*        G  11   8.116  -4.897 -14.822
  831    H4*    G  11           H4*        G  11   8.537  -4.407 -12.457
  832    H3*    G  11           H3*        G  11   9.014  -7.012 -13.630
  833   1H2*    G  11          1H2*        G  11   7.437  -8.020 -12.155
  834   2H2*    G  11          2H2*        G  11   8.862  -8.071 -11.077
  835    H1*    G  11           H1*        G  11   8.304  -5.831 -10.213
  836    H8     G  11           H8         G  11   5.094  -7.920 -11.108
  837    H1     G  11           H1         G  11   5.829  -6.398  -4.907
  838   1H2     G  11           H21        G  11   7.928  -5.403  -4.662
  839   2H2     G  11           H22        G  11   8.858  -4.985  -6.084
  840   1H5*    A  12          1H5*        A  12  11.869  -4.673 -10.657
  841   2H5*    A  12          2H5*        A  12  13.527  -5.182 -11.033
  842    H4*    A  12           H4*        A  12  13.285  -4.354  -8.717
  843    H3*    A  12           H3*        A  12  14.664  -6.663  -9.402
  844   1H2*    A  12          1H2*        A  12  12.919  -8.158  -8.848
  845   2H2*    A  12          2H2*        A  12  13.754  -8.137  -7.282
  846    H1*    A  12           H1*        A  12  12.294  -6.462  -6.398
  847    H8     A  12           H8         A  12  10.569  -8.252  -9.425
  848   1H6     A  12           H61        A  12   6.239  -9.986  -5.436
  849   2H6     A  12           H62        A  12   6.911 -10.127  -7.057
  850    H2     A  12           H2         A  12   9.329  -7.655  -3.153
  851   1H5*    C  13          1H5*        C  13  14.371  -5.904  -4.837
  852   2H5*    C  13          2H5*        C  13  15.876  -6.289  -3.976
  853    H4*    C  13           H4*        C  13  13.862  -7.174  -2.837
  854    H3*    C  13           H3*        C  13  16.071  -8.953  -3.725
  855   1H2*    C  13          1H2*        C  13  14.615 -10.560  -4.430
  856   2H2*    C  13          2H2*        C  13  14.198 -10.824  -2.719
  857    H1*    C  13           H1*        C  13  12.424  -9.207  -2.795
  858   1H4     C  13           H41        C  13   9.367 -12.357  -7.861
  859   2H4     C  13           H42        C  13   8.392 -12.574  -6.422
  860    H5     C  13           H5         C  13  11.599 -11.282  -7.777
  861    H6     C  13           H6         C  13  13.156 -10.123  -6.339
  862   1H5*    C  14          1H5*        C  14  13.691  -9.747   0.122
  863   2H5*    C  14          2H5*        C  14  14.612 -10.556   1.409
  864    H4*    C  14           H4*        C  14  12.358 -11.566   0.980
  865    H3*    C  14           H3*        C  14  14.853 -13.186   0.711
  866   1H2*    C  14          1H2*        C  14  13.935 -14.447  -0.919
  867   2H2*    C  14          2H2*        C  14  12.660 -14.986   0.206
  868    H1*    C  14           H1*        C  14  11.188 -13.242  -0.382
  869   1H4     C  14           H41        C  14  11.856 -14.528  -6.927
  870   2H4     C  14           H42        C  14  10.256 -15.055  -6.435
  871    H5     C  14           H5         C  14  13.474 -13.587  -5.311
  872    H6     C  14           H6         C  14  13.785 -12.997  -2.953
  873   1H5*    G  15          1H5*        G  15  11.125 -15.169   2.514
  874   2H5*    G  15          2H5*        G  15  11.554 -16.332   3.786
  875    H4*    G  15           H4*        G  15   9.950 -17.319   2.236
  876    H3*    G  15           H3*        G  15  12.638 -18.537   2.547
  877   1H2*    G  15          1H2*        G  15  12.894 -18.731   0.267
  878   2H2*    G  15          2H2*        G  15  11.718 -20.071   0.403
  879    H1*    G  15           H1*        G  15   9.859 -18.558   0.005
  880    H8     G  15           H8         G  15  13.153 -17.227  -1.645
  881    H1     G  15           H1         G  15   8.411 -18.613  -5.756
  882   1H2     G  15           H21        G  15   6.656 -19.536  -4.561
  883   2H2     G  15           H22        G  15   6.764 -19.693  -2.821
  884    H3T    G  15           H3T        G  15  10.760 -19.281   3.597
  885   1H5*    C  16          1H5*        C  16   3.683 -23.555 -10.934
  886   2H5*    C  16          2H5*        C  16   1.956 -23.191 -10.799
  887    H4*    C  16           H4*        C  16   3.096 -22.649  -8.724
  888    H3*    C  16           H3*        C  16   1.905 -20.374 -10.275
  889   1H2*    C  16          1H2*        C  16   3.413 -18.966  -9.535
  890   2H2*    C  16          2H2*        C  16   2.865 -19.225  -7.853
  891    H1*    C  16           H1*        C  16   4.416 -21.011  -7.525
  892   1H4     C  16           H41        C  16   9.527 -17.109  -9.432
  893   2H4     C  16           H42        C  16   9.637 -17.318  -7.695
  894    H5     C  16           H5         C  16   7.679 -18.058 -10.749
  895    H6     C  16           H6         C  16   5.669 -19.390 -10.631
  896    H5T    C  16           H5T        C  16   2.287 -21.328 -11.994
  897   1H5*    G  17          1H5*        G  17   1.515 -20.834  -5.844
  898   2H5*    G  17          2H5*        G  17  -0.052 -20.315  -5.200
  899    H4*    G  17           H4*        G  17   1.736 -19.515  -3.760
  900    H3*    G  17           H3*        G  17  -0.117 -17.689  -4.988
  901   1H2*    G  17          1H2*        G  17   1.615 -16.666  -6.213
  902   2H2*    G  17          2H2*        G  17   1.755 -15.681  -4.734
  903    H1*    G  17           H1*        G  17   3.334 -17.322  -3.776
  904    H8     G  17           H8         G  17   3.517 -16.736  -7.621
  905    H1     G  17           H1         G  17   8.812 -15.225  -4.308
  906   1H2     G  17           H21        G  17   8.367 -15.612  -2.052
  907   2H2     G  17           H22        G  17   6.839 -16.319  -1.579
  908   1H5*    G  18          1H5*        G  18   1.545 -17.315  -0.563
  909   2H5*    G  18          2H5*        G  18   0.305 -16.461   0.374
  910    H4*    G  18           H4*        G  18   2.550 -16.201   1.351
  911    H3*    G  18           H3*        G  18   0.771 -14.089   0.943
  912   1H2*    G  18          1H2*        G  18   1.839 -13.278  -0.996
  913   2H2*    G  18          2H2*        G  18   2.722 -12.322   0.219
  914    H1*    G  18           H1*        G  18   4.537 -13.885   0.284
  915    H8     G  18           H8         G  18   2.592 -14.407  -3.059
  916    H1     G  18           H1         G  18   8.485 -11.968  -3.794
  917   1H2     G  18           H21        G  18   9.336 -11.485  -1.688
  918   2H2     G  18           H22        G  18   8.488 -12.038  -0.254
  919   1H5*    T  19          1H5*        T  19   4.932 -13.150   3.013
  920   2H5*    T  19          2H5*        T  19   4.600 -12.149   4.441
  921    H4*    T  19           H4*        T  19   6.749 -11.564   3.390
  922    H3*    T  19           H3*        T  19   4.701  -9.672   4.044
  923   1H2*    T  19          1H2*        T  19   4.291  -9.102   1.833
  924   2H2*    T  19          2H2*        T  19   5.662  -8.004   2.076
  925    H1*    T  19           H1*        T  19   7.255  -9.648   1.270
  926    H3     T  19           H3         T  19   6.960  -9.149  -3.282
  927   1H5M    T  19          1H5M        T  19   2.205  -9.598  -2.730
  928   2H5M    T  19          2H5M        T  19   2.663 -11.278  -3.073
  929   3H5M    T  19          3H5M        T  19   2.099 -10.811  -1.450
  930    H6     T  19           H6         T  19   3.824 -10.407   0.119
  931   1H5*    C  20          1H5*        C  20   8.849  -7.934   2.938
  932   2H5*    C  20          2H5*        C  20   9.253  -6.416   3.769
  933    H4*    C  20           H4*        C  20   9.587  -6.377   1.279
  934    H3*    C  20           H3*        C  20   7.811  -4.411   2.662
  935   1H2*    C  20          1H2*        C  20   6.399  -4.315   0.907
  936   2H2*    C  20          2H2*        C  20   7.719  -3.689  -0.120
  937    H1*    C  20           H1*        C  20   8.403  -5.860  -0.786
  938   1H4     C  20           H41        C  20   2.217  -7.240  -3.010
  939   2H4     C  20           H42        C  20   3.299  -7.077  -4.385
  940    H5     C  20           H5         C  20   3.052  -6.969  -0.677
  941    H6     C  20           H6         C  20   4.996  -6.421   0.647
  942   1H5*    T  21          1H5*        T  21  10.890  -3.310  -0.700
  943   2H5*    T  21          2H5*        T  21  11.486  -1.643  -0.557
  944    H4*    T  21           H4*        T  21  11.008  -2.352  -2.902
  945    H3*    T  21           H3*        T  21   9.975   0.097  -1.702
  946   1H2*    T  21          1H2*        T  21   7.789  -0.441  -2.165
  947   2H2*    T  21          2H2*        T  21   8.177   0.103  -3.816
  948    H1*    T  21           H1*        T  21   8.850  -2.141  -4.472
  949    H3     T  21           H3         T  21   4.751  -3.641  -5.738
  950   1H5M    T  21          1H5M        T  21   3.961  -2.136  -0.792
  951   2H5M    T  21          2H5M        T  21   3.089  -3.570  -1.389
  952   3H5M    T  21          3H5M        T  21   4.584  -3.756  -0.466
  953    H6     T  21           H6         T  21   6.581  -2.307  -1.510
  954   1H5*    C  22          1H5*        C  22  10.619  -0.262  -6.538
  955   2H5*    C  22          2H5*        C  22  11.042   1.365  -7.120
  956    H4*    C  22           H4*        C  22   9.466   0.220  -8.662
  957    H3*    C  22           H3*        C  22   8.752   2.762  -7.301
  958   1H2*    C  22          1H2*        C  22   6.582   2.216  -7.076
  959   2H2*    C  22          2H2*        C  22   6.401   2.109  -8.834
  960    H1*    C  22           H1*        C  22   6.921  -0.188  -8.923
  961   1H4     C  22           H41        C  22   2.160  -0.850  -4.222
  962   2H4     C  22           H42        C  22   1.526  -1.501  -5.708
  963    H5     C  22           H5         C  22   4.484  -0.073  -4.035
  964    H6     C  22           H6         C  22   6.479   0.428  -5.301
  965   1H5*    C  23          1H5*        C  23   7.246   2.186 -11.610
  966   2H5*    C  23          2H5*        C  23   6.979   3.735 -12.448
  967    H4*    C  23           H4*        C  23   5.088   2.204 -12.690
  968    H3*    C  23           H3*        C  23   4.569   4.687 -11.040
  969   1H2*    C  23          1H2*        C  23   2.475   3.957 -10.654
  970   2H2*    C  23          2H2*        C  23   2.296   3.163 -12.260
  971    H1*    C  23           H1*        C  23   3.046   1.170 -11.552
  972   1H4     C  23           H41        C  23   0.829   1.770  -5.232
  973   2H4     C  23           H42        C  23  -0.450   1.016  -6.156
  974    H5     C  23           H5         C  23   2.859   2.657  -6.323
  975    H6     C  23           H6         C  23   4.004   2.883  -8.447
  976   1H5*    C  24          1H5*        C  24   2.462   3.344 -14.778
  977   2H5*    C  24          2H5*        C  24   2.153   4.706 -15.872
  978    H4*    C  24           H4*        C  24   0.376   3.020 -16.013
  979    H3*    C  24           H3*        C  24  -0.043   5.812 -15.555
  980   1H2*    C  24          1H2*        C  24  -1.028   5.614 -13.503
  981   2H2*    C  24          2H2*        C  24  -2.489   5.159 -14.419
  982    H1*    C  24           H1*        C  24  -2.124   2.848 -14.135
  983   1H4     C  24           H41        C  24  -0.681   3.288  -7.612
  984   2H4     C  24           H42        C  24  -2.343   2.770  -7.679
  985    H5     C  24           H5         C  24   0.505   4.072  -9.552
  986    H6     C  24           H6         C  24   0.440   4.337 -11.944
  987   1H5*    A  25          1H5*        A  25  -3.750   3.289 -16.450
  988   2H5*    A  25          2H5*        A  25  -4.648   3.984 -17.816
  989    H4*    A  25           H4*        A  25  -6.197   3.172 -16.116
  990    H3*    A  25           H3*        A  25  -6.214   5.849 -17.133
  991   1H2*    A  25          1H2*        A  25  -5.606   6.812 -15.103
  992   2H2*    A  25          2H2*        A  25  -7.354   6.741 -14.784
  993    H1*    A  25           H1*        A  25  -7.139   4.617 -13.644
  994    H8     A  25           H8         A  25  -3.816   6.675 -13.578
  995   1H6     A  25           H61        A  25  -4.102   6.353  -7.471
  996   2H6     A  25           H62        A  25  -3.201   6.846  -8.900
  997    H2     A  25           H2         A  25  -7.855   4.476  -9.101
  998   1H5*    T  26          1H5*        T  26  -9.631   4.342 -14.595
  999   2H5*    T  26          2H5*        T  26 -11.245   4.914 -15.069
 1000    H4*    T  26           H4*        T  26 -10.860   5.031 -12.627
 1001    H3*    T  26           H3*        T  26 -11.401   7.529 -14.207
 1002   1H2*    T  26          1H2*        T  26 -10.203   8.785 -12.763
 1003   2H2*    T  26          2H2*        T  26 -11.296   8.298 -11.443
 1004    H1*    T  26           H1*        T  26  -9.982   6.424 -10.858
 1005    H3     T  26           H3         T  26  -6.778   8.512  -8.382
 1006   1H5M    T  26          1H5M        T  26  -5.578   9.207 -13.636
 1007   2H5M    T  26          2H5M        T  26  -5.452  10.643 -12.596
 1008   3H5M    T  26          3H5M        T  26  -4.348   9.274 -12.362
 1009    H6     T  26           H6         T  26  -7.695   8.334 -13.086
 1010   1H5*    C  27          1H5*        C  27 -13.290   6.375 -10.278
 1011   2H5*    C  27          2H5*        C  27 -14.927   6.988  -9.961
 1012    H4*    C  27           H4*        C  27 -13.354   7.218  -8.019
 1013    H3*    C  27           H3*        C  27 -14.823   9.501  -9.217
 1014   1H2*    C  27          1H2*        C  27 -13.050  10.911  -9.037
 1015   2H2*    C  27          2H2*        C  27 -13.194  10.785  -7.260
 1016    H1*    C  27           H1*        C  27 -11.688   8.968  -7.130
 1017   1H4     C  27           H41        C  27  -6.841  12.233 -10.407
 1018   2H4     C  27           H42        C  27  -6.375  12.085  -8.728
 1019    H5     C  27           H5         C  27  -9.029  11.387 -11.233
 1020    H6     C  27           H6         C  27 -11.096  10.333 -10.558
 1021   1H5*    C  28          1H5*        C  28 -13.809   9.515  -4.792
 1022   2H5*    C  28          2H5*        C  28 -15.141  10.119  -3.786
 1023    H4*    C  28           H4*        C  28 -13.021  11.092  -3.069
 1024    H3*    C  28           H3*        C  28 -15.293  12.688  -3.792
 1025   1H2*    C  28          1H2*        C  28 -14.212  13.590  -5.662
 1026   2H2*    C  28          2H2*        C  28 -13.641  14.770  -4.460
 1027    H1*    C  28           H1*        C  28 -11.690  13.380  -3.947
 1028   1H4     C  28           H41        C  28  -9.574  14.311 -10.253
 1029   2H4     C  28           H42        C  28  -8.283  14.828  -9.191
 1030    H5     C  28           H5         C  28 -11.739  13.508  -9.420
 1031    H6     C  28           H6         C  28 -13.013  13.012  -7.426
 1032   1H5*    A  29          1H5*        A  29 -12.406  13.520  -0.131
 1033   2H5*    A  29          2H5*        A  29 -13.374  14.301   1.133
 1034    H4*    A  29           H4*        A  29 -10.925  14.757   1.265
 1035    H3*    A  29           H3*        A  29 -12.868  16.639   1.757
 1036   1H2*    A  29          1H2*        A  29 -12.925  17.561  -0.406
 1037   2H2*    A  29          2H2*        A  29 -11.719  18.653   0.298
 1038    H1*    A  29           H1*        A  29  -9.895  17.429  -0.572
 1039    H8     A  29           H8         A  29 -13.235  16.949  -2.543
 1040   1H6     A  29           H61        A  29  -9.849  17.571  -7.651
 1041   2H6     A  29           H62        A  29 -11.445  17.312  -6.960
 1042    H2     A  29           H2         A  29  -7.144  18.183  -4.121
 1043   1H5*    A  30          1H5*        A  30  -8.349  18.061   1.794
 1044   2H5*    A  30          2H5*        A  30  -8.074  19.273   3.064
 1045    H4*    A  30           H4*        A  30  -6.841  19.805   0.990
 1046    H3*    A  30           H3*        A  30  -8.673  21.682   2.274
 1047   1H2*    A  30          1H2*        A  30  -9.956  21.935   0.348
 1048   2H2*    A  30          2H2*        A  30  -8.633  23.032  -0.152
 1049    H1*    A  30           H1*        A  30  -7.469  21.205  -1.268
 1050    H8     A  30           H8         A  30 -11.325  20.513  -1.111
 1051   1H6     A  30           H61        A  30 -11.094  20.385  -7.248
 1052   2H6     A  30           H62        A  30 -12.097  20.303  -5.801
 1053    H2     A  30           H2         A  30  -6.998  21.447  -5.763
 1054    H3T    A  30           H3T        A  30  -7.015  23.091   1.659
   
  No H/Q in entry =        1054
  Start of MODEL   13
    1    H    MET   1           H        MET   1   4.141 -17.923  -8.870
    2    HA   MET   1           HA       MET   1   4.541 -18.255 -11.058
    3   1HB   MET   1          2HB       MET   1   5.010 -21.200 -10.423
    4   2HB   MET   1          3HB       MET   1   5.232 -20.411 -11.989
    5   1HG   MET   1          2HG       MET   1   6.969 -18.944 -11.026
    6   2HG   MET   1          3HG       MET   1   6.711 -19.661  -9.433
    7   1HE   MET   1          3HE       MET   1   8.086 -20.243 -13.049
    8   2HE   MET   1          1HE       MET   1   8.710 -21.905 -12.935
    9   3HE   MET   1          2HE       MET   1   6.958 -21.620 -12.923
   10    H    LYS  11           H        LYS  11   2.632 -20.907  -9.578
   11    HA   LYS  11           HA       LYS  11   0.888 -21.503 -11.651
   12   1HB   LYS  11          2HB       LYS  11   1.083 -22.675  -9.463
   13   2HB   LYS  11          3HB       LYS  11   0.235 -21.318  -8.701
   14   1HG   LYS  11          2HG       LYS  11  -1.628 -21.957 -10.571
   15   2HG   LYS  11          3HG       LYS  11  -0.821 -23.522 -10.455
   16   1HD   LYS  11          2HD       LYS  11  -2.040 -21.880  -8.182
   17   2HD   LYS  11          3HD       LYS  11  -2.750 -23.324  -8.914
   18   1HE   LYS  11          2HE       LYS  11  -0.867 -24.703  -8.083
   19   2HE   LYS  11          3HE       LYS  11  -0.102 -23.264  -7.378
   20   1HZ   LYS  11          2HZ       LYS  11  -2.725 -24.299  -6.601
   21   2HZ   LYS  11          3HZ       LYS  11  -1.316 -24.482  -5.761
   22   3HZ   LYS  11          1HZ       LYS  11  -1.956 -22.978  -5.971
   23    H    ARG  12           H        ARG  12  -0.639 -20.345 -12.771
   24    HA   ARG  12           HA       ARG  12  -1.556 -17.731 -11.828
   25   1HB   ARG  12          2HB       ARG  12  -2.176 -19.348 -14.298
   26   2HB   ARG  12          3HB       ARG  12  -3.002 -17.865 -13.850
   27   1HG   ARG  12          2HG       ARG  12  -1.372 -17.275 -15.452
   28   2HG   ARG  12          3HG       ARG  12  -0.892 -16.594 -13.893
   29   1HD   ARG  12          2HD       ARG  12   1.024 -17.580 -15.133
   30   2HD   ARG  12          3HD       ARG  12   0.719 -18.345 -13.575
   31    HE   ARG  12           HE       ARG  12  -0.489 -19.546 -16.009
   32   1HH1  ARG  12          1HH2      ARG  12   2.070 -19.815 -13.535
   33   2HH1  ARG  12          2HH2      ARG  12   2.503 -21.433 -14.012
   34   1HH2  ARG  12          1HH1      ARG  12   0.045 -21.669 -16.545
   35   2HH2  ARG  12          2HH1      ARG  12   1.313 -22.517 -15.706
   36    H    TYR  13           H        TYR  13  -3.329 -17.413 -10.578
   37    HA   TYR  13           HA       TYR  13  -5.357 -19.551 -10.207
   38   1HB   TYR  13          2HB       TYR  13  -5.202 -16.657  -9.246
   39   2HB   TYR  13          3HB       TYR  13  -6.531 -17.770  -8.917
   40    HD1  TYR  13           HD2      TYR  13  -2.932 -17.121  -8.343
   41    HD2  TYR  13           HD1      TYR  13  -6.460 -19.195  -7.017
   42    HE1  TYR  13           HE2      TYR  13  -1.902 -17.439  -6.117
   43    HE2  TYR  13           HE1      TYR  13  -5.416 -19.550  -4.796
   44    HH   TYR  13           HH       TYR  13  -2.089 -18.673  -4.110
   45    H    ILE  14           H        ILE  14  -7.398 -19.369 -11.295
   46    HA   ILE  14           HA       ILE  14  -7.486 -17.393 -13.525
   47    HB   ILE  14           HB       ILE  14  -8.647 -20.194 -13.427
   48   1HG1  ILE  14          2HG1      ILE  14  -6.075 -19.009 -14.523
   49   2HG1  ILE  14          3HG1      ILE  14  -6.275 -20.428 -13.488
   50   1HG2  ILE  14          2HG2      ILE  14  -9.898 -18.590 -14.887
   51   2HG2  ILE  14          3HG2      ILE  14  -8.373 -18.196 -15.713
   52   3HG2  ILE  14          1HG2      ILE  14  -9.077 -19.826 -15.819
   53   1HD1  ILE  14          1HD1      ILE  14  -7.367 -21.585 -15.463
   54   2HD1  ILE  14          2HD1      ILE  14  -6.884 -20.169 -16.447
   55   3HD1  ILE  14          3HD1      ILE  14  -5.650 -21.164 -15.666
   56    H    CYS  15           H        CYS  15  -9.313 -16.297 -13.925
   57    HA   CYS  15           HA       CYS  15 -11.033 -15.627 -11.767
   58   1HB   CYS  15          2HB       CYS  15 -10.534 -14.032 -13.392
   59   2HB   CYS  15          3HB       CYS  15 -10.986 -15.092 -14.729
   60    H    SER  16           H        SER  16 -12.675 -16.740 -10.919
   61    HA   SER  16           HA       SER  16 -13.622 -19.145 -11.501
   62   1HB   SER  16          2HB       SER  16 -15.482 -16.966 -10.498
   63   2HB   SER  16          3HB       SER  16 -15.292 -18.634  -9.924
   64    HG   SER  16           HG       SER  16 -14.243 -17.154  -8.520
   65    H    PHE  17           H        PHE  17 -14.886 -16.117 -12.850
   66    HA   PHE  17           HA       PHE  17 -17.080 -17.328 -14.311
   67   1HB   PHE  17          2HB       PHE  17 -15.830 -14.584 -14.636
   68   2HB   PHE  17          3HB       PHE  17 -17.435 -15.090 -15.141
   69    HD1  PHE  17           HD1      PHE  17 -19.164 -15.692 -13.348
   70    HD2  PHE  17           HD2      PHE  17 -15.382 -13.856 -12.365
   71    HE1  PHE  17           HE1      PHE  17 -19.954 -15.274 -11.036
   72    HE2  PHE  17           HE2      PHE  17 -16.118 -13.601 -10.024
   73    HZ   PHE  17           HZ       PHE  17 -18.428 -14.254  -9.361
   74    H    ALA  18           H        ALA  18 -15.351 -18.937 -15.087
   75    HA   ALA  18           HA       ALA  18 -13.351 -19.112 -16.577
   76   1HB   ALA  18          1HB       ALA  18 -14.931 -20.947 -16.357
   77   2HB   ALA  18          2HB       ALA  18 -15.995 -20.231 -17.585
   78   3HB   ALA  18          3HB       ALA  18 -14.380 -20.817 -18.037
   79    H    ASP  19           H        ASP  19 -16.233 -18.196 -18.506
   80    HA   ASP  19           HA       ASP  19 -15.134 -17.722 -20.953
   81   1HB   ASP  19          2HB       ASP  19 -17.286 -16.041 -19.600
   82   2HB   ASP  19          3HB       ASP  19 -16.996 -16.155 -21.340
   83    H    CYS  20           H        CYS  20 -14.984 -15.516 -18.190
   84    HA   CYS  20           HA       CYS  20 -14.135 -13.144 -19.405
   85   1HB   CYS  20          2HB       CYS  20 -14.882 -13.583 -17.023
   86   2HB   CYS  20          3HB       CYS  20 -13.273 -14.259 -16.726
   87    H    GLY  21           H        GLY  21 -12.302 -16.085 -18.609
   88   1HA   GLY  21          2HA       GLY  21 -10.218 -16.789 -19.119
   89   2HA   GLY  21          3HA       GLY  21 -10.247 -15.623 -20.446
   90    H    ALA  22           H        ALA  22 -10.443 -14.423 -17.132
   91    HA   ALA  22           HA       ALA  22  -7.794 -13.140 -17.452
   92   1HB   ALA  22          2HB       ALA  22  -9.678 -11.783 -16.694
   93   2HB   ALA  22          3HB       ALA  22  -9.914 -12.853 -15.295
   94   3HB   ALA  22          1HB       ALA  22  -8.424 -11.898 -15.438
   95    H    ALA  23           H        ALA  23  -5.985 -13.632 -16.121
   96    HA   ALA  23           HA       ALA  23  -6.271 -15.540 -13.950
   97   1HB   ALA  23          2HB       ALA  23  -6.178 -17.004 -15.975
   98   2HB   ALA  23          3HB       ALA  23  -4.666 -16.210 -16.465
   99   3HB   ALA  23          1HB       ALA  23  -4.725 -17.176 -14.980
  100    H    TYR  24           H        TYR  24  -4.436 -15.436 -12.526
  101    HA   TYR  24           HA       TYR  24  -2.074 -13.905 -13.347
  102   1HB   TYR  24          2HB       TYR  24  -3.560 -12.887 -10.911
  103   2HB   TYR  24          3HB       TYR  24  -2.212 -12.171 -11.769
  104    HD1  TYR  24           HD1      TYR  24  -5.833 -12.934 -11.965
  105    HD2  TYR  24           HD2      TYR  24  -2.651 -10.507 -13.525
  106    HE1  TYR  24           HE1      TYR  24  -7.498 -11.510 -13.116
  107    HE2  TYR  24           HE2      TYR  24  -4.312  -8.980 -14.541
  108    HH   TYR  24           HH       TYR  24  -6.571  -8.478 -14.773
  109    H    ASN  25           H        ASN  25  -0.292 -14.231 -11.898
  110    HA   ASN  25           HA       ASN  25  -0.447 -16.682 -10.417
  111   1HB   ASN  25          2HB       ASN  25   1.594 -16.143 -11.565
  112   2HB   ASN  25          3HB       ASN  25   1.778 -14.643 -10.638
  113   1HD2  ASN  25          1HD2      ASN  25   2.104 -17.890  -8.134
  114   2HD2  ASN  25          2HD2      ASN  25   0.629 -17.630  -9.024
  115    H    LYS  26           H        LYS  26   0.108 -13.355  -9.332
  116    HA   LYS  26           HA       LYS  26   0.113 -14.111  -6.570
  117   1HB   LYS  26          2HB       LYS  26  -0.001 -11.476  -8.046
  118   2HB   LYS  26          3HB       LYS  26  -0.211 -11.528  -6.300
  119   1HG   LYS  26          2HG       LYS  26   2.200 -12.784  -7.689
  120   2HG   LYS  26          3HG       LYS  26   2.144 -11.113  -7.103
  121   1HD   LYS  26          2HD       LYS  26   1.540 -11.992  -4.805
  122   2HD   LYS  26          3HD       LYS  26   1.868 -13.634  -5.367
  123   1HE   LYS  26          2HE       LYS  26   3.891 -11.386  -5.583
  124   2HE   LYS  26          3HE       LYS  26   3.724 -12.399  -4.145
  125   1HZ   LYS  26          2HZ       LYS  26   4.314 -13.438  -6.823
  126   2HZ   LYS  26          3HZ       LYS  26   5.409 -13.211  -5.607
  127   3HZ   LYS  26          1HZ       LYS  26   4.211 -14.316  -5.425
  128    H    ASN  27           H        ASN  27  -1.498 -14.855  -5.562
  129    HA   ASN  27           HA       ASN  27  -4.133 -15.104  -5.947
  130   1HB   ASN  27          2HB       ASN  27  -2.745 -15.969  -4.038
  131   2HB   ASN  27          3HB       ASN  27  -2.812 -14.377  -3.290
  132   1HD2  ASN  27          1HD2      ASN  27  -5.786 -16.953  -2.567
  133   2HD2  ASN  27          2HD2      ASN  27  -4.253 -17.431  -3.281
  134    H    TRP  28           H        TRP  28  -2.785 -12.282  -4.156
  135    HA   TRP  28           HA       TRP  28  -5.160 -10.877  -3.713
  136   1HB   TRP  28          2HB       TRP  28  -3.823  -8.978  -3.314
  137   2HB   TRP  28          3HB       TRP  28  -3.092 -10.396  -2.598
  138    HD1  TRP  28           HD1      TRP  28  -0.638 -10.851  -3.124
  139    HE1  TRP  28           HE1      TRP  28   1.197  -9.731  -4.513
  140    HE3  TRP  28           HE3      TRP  28  -3.530  -7.560  -5.797
  141    HZ2  TRP  28           HZ2      TRP  28   1.370  -7.768  -6.637
  142    HZ3  TRP  28           HZ3      TRP  28  -2.519  -6.189  -7.576
  143    HH2  TRP  28           HH2      TRP  28  -0.071  -6.236  -7.968
  144    H    LYS  29           H        LYS  29  -3.127 -10.890  -6.668
  145    HA   LYS  29           HA       LYS  29  -4.422  -8.613  -7.871
  146   1HB   LYS  29          2HB       LYS  29  -2.118  -9.618  -8.324
  147   2HB   LYS  29          3HB       LYS  29  -2.937 -10.857  -9.288
  148   1HG   LYS  29          2HG       LYS  29  -3.916  -9.079 -10.717
  149   2HG   LYS  29          3HG       LYS  29  -3.087  -7.836  -9.765
  150   1HD   LYS  29          2HD       LYS  29  -1.643 -10.106 -11.201
  151   2HD   LYS  29          3HD       LYS  29  -1.951  -8.540 -11.949
  152   1HE   LYS  29          2HE       LYS  29  -0.590  -7.417 -10.216
  153   2HE   LYS  29          3HE       LYS  29  -0.324  -8.957  -9.386
  154   1HZ   LYS  29          1HZ       LYS  29   0.776  -9.776 -11.314
  155   2HZ   LYS  29          2HZ       LYS  29   0.564  -8.348 -12.105
  156   3HZ   LYS  29          3HZ       LYS  29   1.501  -8.413 -10.747
  157    H    LEU  30           H        LEU  30  -4.765 -12.163  -8.098
  158    HA   LEU  30           HA       LEU  30  -6.970 -12.042  -9.939
  159   1HB   LEU  30          2HB       LEU  30  -5.641 -13.962  -9.845
  160   2HB   LEU  30          3HB       LEU  30  -5.959 -14.248  -8.127
  161    HG   LEU  30           HG       LEU  30  -7.011 -15.720  -9.934
  162   1HD1  LEU  30          3HD1      LEU  30  -7.654 -15.874  -7.669
  163   2HD1  LEU  30          1HD1      LEU  30  -8.814 -14.538  -7.822
  164   3HD1  LEU  30          2HD1      LEU  30  -9.079 -16.058  -8.713
  165   1HD2  LEU  30          2HD2      LEU  30  -7.596 -14.094 -11.513
  166   2HD2  LEU  30          3HD2      LEU  30  -8.992 -15.066 -11.054
  167   3HD2  LEU  30          1HD2      LEU  30  -8.848 -13.401 -10.467
  168    H    GLN  31           H        GLN  31  -6.787 -11.959  -6.338
  169    HA   GLN  31           HA       GLN  31  -9.618 -12.088  -5.916
  170   1HB   GLN  31          2HB       GLN  31  -7.616 -10.482  -4.280
  171   2HB   GLN  31          3HB       GLN  31  -9.260 -10.905  -3.855
  172   1HG   GLN  31          2HG       GLN  31  -6.790 -12.568  -3.770
  173   2HG   GLN  31          3HG       GLN  31  -8.111 -12.474  -2.632
  174   1HE2  GLN  31          1HE2      GLN  31  -8.106 -15.330  -5.548
  175   2HE2  GLN  31          2HE2      GLN  31  -6.843 -14.096  -5.438
  176    H    ALA  32           H        ALA  32  -7.429  -9.288  -6.429
  177    HA   ALA  32           HA       ALA  32  -9.434  -7.265  -6.386
  178   1HB   ALA  32          2HB       ALA  32  -7.001  -6.828  -6.299
  179   2HB   ALA  32          3HB       ALA  32  -6.836  -7.390  -7.981
  180   3HB   ALA  32          1HB       ALA  32  -7.768  -5.924  -7.623
  181    H    HIS  33           H        HIS  33  -8.312  -9.356  -9.084
  182    HA   HIS  33           HA       HIS  33 -10.049  -8.134 -10.995
  183   1HB   HIS  33          2HB       HIS  33  -8.221  -9.638 -11.581
  184   2HB   HIS  33          3HB       HIS  33  -9.090 -11.002 -10.871
  185    HD1  HIS  33           HD1      HIS  33  -8.837  -9.060 -14.050
  186    HD2  HIS  33           HD2      HIS  33 -11.573 -11.590 -12.090
  187    HE1  HIS  33           HE1      HIS  33 -10.681  -9.610 -15.741
  188    H    LEU  34           H        LEU  34 -10.613 -11.064  -8.910
  189    HA   LEU  34           HA       LEU  34 -13.280 -11.544  -9.601
  190   1HB   LEU  34          2HB       LEU  34 -11.672 -12.052  -7.116
  191   2HB   LEU  34          3HB       LEU  34 -13.415 -12.159  -6.991
  192    HG   LEU  34           HG       LEU  34 -13.574 -13.787  -8.690
  193   1HD1  LEU  34          3HD1      LEU  34 -10.561 -13.666  -8.946
  194   2HD1  LEU  34          1HD1      LEU  34 -11.588 -14.916  -9.660
  195   3HD1  LEU  34          2HD1      LEU  34 -11.729 -13.239 -10.215
  196   1HD2  LEU  34          1HD2      LEU  34 -13.146 -14.508  -6.362
  197   2HD2  LEU  34          2HD2      LEU  34 -12.404 -15.651  -7.496
  198   3HD2  LEU  34          3HD2      LEU  34 -11.395 -14.455  -6.654
  199    H    SER  35           H        SER  35 -12.077  -9.155  -7.232
  200    HA   SER  35           HA       SER  35 -14.519  -8.466  -6.089
  201   1HB   SER  35          2HB       SER  35 -13.673  -6.442  -5.378
  202   2HB   SER  35          3HB       SER  35 -12.284  -7.533  -5.394
  203    HG   SER  35           HG       SER  35 -11.830  -6.557  -7.525
  204    H    LYS  36           H        LYS  36 -13.396  -7.601  -9.348
  205    HA   LYS  36           HA       LYS  36 -15.211  -5.521  -9.954
  206   1HB   LYS  36          2HB       LYS  36 -14.193  -7.750 -11.770
  207   2HB   LYS  36          3HB       LYS  36 -14.923  -6.228 -12.290
  208   1HG   LYS  36          2HG       LYS  36 -13.055  -4.940 -11.395
  209   2HG   LYS  36          3HG       LYS  36 -12.362  -6.372 -10.640
  210   1HD   LYS  36          2HD       LYS  36 -11.137  -5.870 -12.671
  211   2HD   LYS  36          3HD       LYS  36 -11.940  -7.441 -12.768
  212   1HE   LYS  36          2HE       LYS  36 -12.094  -6.171 -14.890
  213   2HE   LYS  36          3HE       LYS  36 -13.686  -6.533 -14.221
  214   1HZ   LYS  36          1HZ       LYS  36 -12.265  -3.971 -13.958
  215   2HZ   LYS  36          3HZ       LYS  36 -13.513  -4.279 -14.989
  216   3HZ   LYS  36          2HZ       LYS  36 -13.765  -4.306 -13.362
  217    H    HIS  37           H        HIS  37 -15.606  -9.053  -9.987
  218    HA   HIS  37           HA       HIS  37 -18.375  -8.885 -11.033
  219   1HB   HIS  37          2HB       HIS  37 -16.682 -11.264 -10.240
  220   2HB   HIS  37          3HB       HIS  37 -18.223 -11.311 -11.091
  221    HD1  HIS  37           HD1      HIS  37 -18.119 -10.965 -13.709
  222    HD2  HIS  37           HD2      HIS  37 -14.491 -10.895 -11.608
  223    HE1  HIS  37           HE1      HIS  37 -16.288 -11.554 -15.387
  224    H    THR  38           H        THR  38 -16.615 -10.189  -8.238
  225    HA   THR  38           HA       THR  38 -18.962 -11.087  -6.837
  226    HB   THR  38           HB       THR  38 -17.366 -11.748  -5.120
  227    HG1  THR  38          1HG       THR  38 -15.433 -10.369  -6.673
  228   1HG2  THR  38          2HG2      THR  38 -17.455 -13.193  -7.129
  229   2HG2  THR  38          3HG2      THR  38 -16.128 -12.267  -7.869
  230   3HG2  THR  38          1HG2      THR  38 -15.841 -13.175  -6.384
  231    H    GLY  39           H        GLY  39 -16.996  -8.108  -6.638
  232   1HA   GLY  39          2HA       GLY  39 -17.321  -6.220  -5.381
  233   2HA   GLY  39          3HA       GLY  39 -18.829  -6.888  -4.741
  234    H    GLU  40           H        GLU  40 -16.182  -9.120  -4.387
  235    HA   GLU  40           HA       GLU  40 -16.237  -8.745  -1.494
  236   1HB   GLU  40          2HB       GLU  40 -14.724 -10.599  -3.375
  237   2HB   GLU  40          3HB       GLU  40 -14.473 -10.624  -1.633
  238   1HG   GLU  40          2HG       GLU  40 -17.206 -11.005  -2.941
  239   2HG   GLU  40          3HG       GLU  40 -16.139 -12.333  -2.461
  240    H    LYS  41           H        LYS  41 -14.582  -8.064  -0.159
  241    HA   LYS  41           HA       LYS  41 -12.172  -6.821  -1.408
  242   1HB   LYS  41          2HB       LYS  41 -13.683  -5.450   0.824
  243   2HB   LYS  41          3HB       LYS  41 -12.455  -4.816  -0.281
  244   1HG   LYS  41          2HG       LYS  41 -14.245  -5.295  -2.157
  245   2HG   LYS  41          3HG       LYS  41 -15.365  -5.511  -0.795
  246   1HD   LYS  41          2HD       LYS  41 -15.729  -3.303  -1.218
  247   2HD   LYS  41          3HD       LYS  41 -14.408  -3.173  -0.041
  248   1HE   LYS  41          2HE       LYS  41 -12.802  -3.107  -2.041
  249   2HE   LYS  41          3HE       LYS  41 -14.223  -3.016  -3.093
  250   1HZ   LYS  41          2HZ       LYS  41 -14.852  -1.006  -1.914
  251   2HZ   LYS  41          3HZ       LYS  41 -13.499  -1.132  -0.967
  252   3HZ   LYS  41          1HZ       LYS  41 -13.342  -0.854  -2.574
  253    HA   PRO  42           HA       PRO  42 -11.292 -10.086   1.765
  254   1HB   PRO  42          2HB       PRO  42  -8.711  -9.869   0.212
  255   2HB   PRO  42          3HB       PRO  42  -9.459 -11.330   0.917
  256   1HG   PRO  42          2HG       PRO  42  -9.750 -10.753  -1.710
  257   2HG   PRO  42          3HG       PRO  42 -11.170 -11.322  -0.774
  258   1HD   PRO  42          2HD       PRO  42 -10.445  -8.538  -1.634
  259   2HD   PRO  42          3HD       PRO  42 -12.031  -9.336  -1.590
  260    H    PHE  43           H        PHE  43  -9.466  -7.053   1.223
  261    HA   PHE  43           HA       PHE  43  -8.003  -7.504   3.804
  262   1HB   PHE  43          2HB       PHE  43  -7.295  -5.851   1.385
  263   2HB   PHE  43          3HB       PHE  43  -6.447  -5.831   2.914
  264    HD1  PHE  43           HD2      PHE  43  -5.122  -7.758   3.687
  265    HD2  PHE  43           HD1      PHE  43  -7.183  -7.897  -0.106
  266    HE1  PHE  43           HE2      PHE  43  -3.862  -9.794   3.060
  267    HE2  PHE  43           HE1      PHE  43  -5.888  -9.889  -0.738
  268    HZ   PHE  43           HZ       PHE  43  -4.224 -10.855   0.841
  269    HA   PRO  44           HA       PRO  44 -10.859  -4.001   4.724
  270   1HB   PRO  44          2HB       PRO  44 -11.776  -4.776   7.173
  271   2HB   PRO  44          3HB       PRO  44 -12.469  -5.395   5.645
  272   1HG   PRO  44          2HG       PRO  44 -10.380  -6.725   7.384
  273   2HG   PRO  44          3HG       PRO  44 -11.868  -7.452   6.719
  274   1HD   PRO  44          2HD       PRO  44  -9.427  -7.744   5.524
  275   2HD   PRO  44          3HD       PRO  44 -10.931  -7.589   4.564
  276    H    CYS  45           H        CYS  45 -10.291  -2.238   6.071
  277    HA   CYS  45           HA       CYS  45  -7.557  -2.222   7.046
  278   1HB   CYS  45          2HB       CYS  45  -8.481  -0.396   5.838
  279   2HB   CYS  45          3HB       CYS  45  -9.738  -0.150   7.056
  280    H    LYS  46           H        LYS  46 -10.342  -3.287   8.585
  281    HA   LYS  46           HA       LYS  46 -10.716  -4.064  10.617
  282   1HB   LYS  46          2HB       LYS  46  -7.956  -3.257  11.514
  283   2HB   LYS  46          3HB       LYS  46  -9.050  -4.432  12.237
  284   1HG   LYS  46          2HG       LYS  46  -7.800  -4.647   9.483
  285   2HG   LYS  46          3HG       LYS  46  -7.245  -5.489  10.940
  286   1HD   LYS  46          2HD       LYS  46  -9.528  -6.601  11.063
  287   2HD   LYS  46          3HD       LYS  46  -9.895  -5.879   9.488
  288   1HE   LYS  46          2HE       LYS  46  -7.699  -7.897  10.127
  289   2HE   LYS  46          3HE       LYS  46  -9.138  -8.147   9.126
  290   1HZ   LYS  46          3HZ       LYS  46  -8.213  -6.410   7.639
  291   2HZ   LYS  46          1HZ       LYS  46  -6.839  -6.426   8.531
  292   3HZ   LYS  46          2HZ       LYS  46  -7.301  -7.788   7.729
  293    H    GLU  47           H        GLU  47  -9.024  -0.932  10.820
  294    HA   GLU  47           HA       GLU  47  -9.847  -0.029  13.281
  295   1HB   GLU  47          2HB       GLU  47  -9.466   1.496  10.677
  296   2HB   GLU  47          3HB       GLU  47  -9.715   2.278  12.254
  297   1HG   GLU  47          2HG       GLU  47  -7.754   1.068  13.172
  298   2HG   GLU  47          3HG       GLU  47  -7.448   0.343  11.584
  299    H    GLU  48           H        GLU  48 -11.707   0.196  14.207
  300    HA   GLU  48           HA       GLU  48 -14.252   0.142  12.856
  301   1HB   GLU  48          2HB       GLU  48 -13.591   0.690  15.788
  302   2HB   GLU  48          3HB       GLU  48 -15.166   0.317  15.098
  303   1HG   GLU  48          2HG       GLU  48 -14.494  -1.739  15.949
  304   2HG   GLU  48          3HG       GLU  48 -14.134  -1.886  14.226
  305    H    GLY  49           H        GLY  49 -13.483   2.033  11.537
  306   1HA   GLY  49          2HA       GLY  49 -15.073   4.312  11.898
  307   2HA   GLY  49          3HA       GLY  49 -13.443   4.735  12.492
  308    H    CYS  50           H        CYS  50 -11.617   3.867  11.048
  309    HA   CYS  50           HA       CYS  50 -12.063   4.616   8.227
  310   1HB   CYS  50          2HB       CYS  50 -10.048   5.354   9.450
  311   2HB   CYS  50          3HB       CYS  50  -9.594   3.675   9.744
  312    H    GLU  51           H        GLU  51 -13.766   2.599   8.631
  313    HA   GLU  51           HA       GLU  51 -12.529  -0.018   8.349
  314   1HB   GLU  51          2HB       GLU  51 -14.664   0.604   9.645
  315   2HB   GLU  51          3HB       GLU  51 -15.454   0.650   8.058
  316   1HG   GLU  51          2HG       GLU  51 -15.752  -1.562   8.882
  317   2HG   GLU  51          3HG       GLU  51 -14.450  -1.671   7.677
  318    H    LYS  52           H        LYS  52 -11.341   1.024   6.430
  319    HA   LYS  52           HA       LYS  52 -12.741   1.156   3.880
  320   1HB   LYS  52          2HB       LYS  52  -9.832   0.605   4.440
  321   2HB   LYS  52          3HB       LYS  52 -10.483   1.214   2.915
  322   1HG   LYS  52          2HG       LYS  52 -10.477   2.735   5.569
  323   2HG   LYS  52          3HG       LYS  52  -9.253   2.893   4.314
  324   1HD   LYS  52          2HD       LYS  52 -10.939   3.681   2.704
  325   2HD   LYS  52          3HD       LYS  52 -12.231   3.477   3.909
  326   1HE   LYS  52          2HE       LYS  52 -11.243   5.170   5.357
  327   2HE   LYS  52          3HE       LYS  52  -9.819   5.304   4.310
  328   1HZ   LYS  52          2HZ       LYS  52 -12.563   5.988   3.530
  329   2HZ   LYS  52          3HZ       LYS  52 -11.372   7.057   3.926
  330   3HZ   LYS  52          1HZ       LYS  52 -11.219   6.120   2.579
  331    H    GLY  53           H        GLY  53 -12.527  -0.419   2.158
  332   1HA   GLY  53          2HA       GLY  53 -12.003  -3.264   2.972
  333   2HA   GLY  53          3HA       GLY  53 -13.302  -2.752   1.897
  334    H    PHE  54           H        PHE  54  -9.875  -3.452   2.123
  335    HA   PHE  54           HA       PHE  54  -9.384  -2.399  -0.613
  336   1HB   PHE  54          2HB       PHE  54  -7.505  -3.405   1.521
  337   2HB   PHE  54          3HB       PHE  54  -7.042  -3.005  -0.110
  338    HD1  PHE  54           HD2      PHE  54  -7.351  -0.660  -0.986
  339    HD2  PHE  54           HD1      PHE  54  -8.134  -1.617   3.132
  340    HE1  PHE  54           HE2      PHE  54  -7.185   1.739  -0.401
  341    HE2  PHE  54           HE1      PHE  54  -7.776   0.765   3.737
  342    HZ   PHE  54           HZ       PHE  54  -7.524   2.467   1.946
  343    H    THR  55           H        THR  55  -8.754  -3.794  -2.340
  344    HA   THR  55           HA       THR  55  -9.567  -6.604  -1.993
  345    HB   THR  55           HB       THR  55  -9.362  -6.674  -4.404
  346    HG1  THR  55          1HG       THR  55  -9.186  -4.667  -5.514
  347   1HG2  THR  55          2HG2      THR  55 -11.115  -4.451  -3.280
  348   2HG2  THR  55          3HG2      THR  55 -11.270  -5.146  -4.900
  349   3HG2  THR  55          1HG2      THR  55 -11.524  -6.175  -3.479
  350    H    SER  56           H        SER  56  -6.600  -4.894  -1.724
  351    HA   SER  56           HA       SER  56  -5.229  -7.493  -1.844
  352   1HB   SER  56          2HB       SER  56  -3.494  -6.795  -3.311
  353   2HB   SER  56          3HB       SER  56  -5.023  -6.425  -4.141
  354    HG   SER  56           HG       SER  56  -4.752  -4.281  -3.346
  355    H    LEU  57           H        LEU  57  -3.300  -7.552  -0.740
  356    HA   LEU  57           HA       LEU  57  -3.097  -5.945   1.577
  357   1HB   LEU  57          2HB       LEU  57  -2.314  -8.280   1.338
  358   2HB   LEU  57          3HB       LEU  57  -1.058  -7.766   0.214
  359    HG   LEU  57           HG       LEU  57   0.129  -6.600   1.948
  360   1HD1  LEU  57          1HD1      LEU  57  -2.259  -7.226   3.755
  361   2HD1  LEU  57          2HD1      LEU  57  -0.681  -6.660   4.342
  362   3HD1  LEU  57          3HD1      LEU  57  -1.647  -5.615   3.307
  363   1HD2  LEU  57          3HD2      LEU  57   0.392  -9.061   1.802
  364   2HD2  LEU  57          1HD2      LEU  57   0.578  -8.515   3.486
  365   3HD2  LEU  57          2HD2      LEU  57  -0.927  -9.285   2.964
  366    H    HIS  58           H        HIS  58  -1.632  -5.693  -1.696
  367    HA   HIS  58           HA       HIS  58   0.358  -3.817  -0.891
  368   1HB   HIS  58          2HB       HIS  58   0.941  -3.513  -3.019
  369   2HB   HIS  58          3HB       HIS  58   0.299  -5.148  -3.081
  370    HD1  HIS  58           HD1      HIS  58  -1.512  -5.408  -5.049
  371    HD2  HIS  58           HD2      HIS  58  -0.690  -1.452  -3.892
  372    HE1  HIS  58           HE1      HIS  58  -2.801  -3.895  -6.643
  373    H    HIS  59           H        HIS  59  -3.018  -3.350  -2.150
  374    HA   HIS  59           HA       HIS  59  -2.936  -0.509  -2.184
  375   1HB   HIS  59          2HB       HIS  59  -5.319  -2.029  -1.129
  376   2HB   HIS  59          3HB       HIS  59  -5.261  -0.410  -1.832
  377    HD1  HIS  59           HD1      HIS  59  -3.612  -2.035  -4.515
  378    HD2  HIS  59           HD2      HIS  59  -7.400  -2.416  -2.693
  379    HE1  HIS  59           HE1      HIS  59  -5.099  -3.345  -6.138
  380    HE2  HIS  59           HE2      HIS  59  -7.399  -3.557  -5.026
  381    H    LEU  60           H        LEU  60  -3.759  -2.833   0.401
  382    HA   LEU  60           HA       LEU  60  -4.350  -1.037   2.446
  383   1HB   LEU  60          2HB       LEU  60  -4.556  -3.643   2.314
  384   2HB   LEU  60          3HB       LEU  60  -2.891  -3.661   2.896
  385    HG   LEU  60           HG       LEU  60  -3.685  -2.262   4.888
  386   1HD1  LEU  60          1HD1      LEU  60  -6.380  -3.051   3.671
  387   2HD1  LEU  60          2HD1      LEU  60  -6.165  -2.544   5.356
  388   3HD1  LEU  60          3HD1      LEU  60  -5.805  -1.410   4.058
  389   1HD2  LEU  60          3HD2      LEU  60  -4.858  -5.047   4.478
  390   2HD2  LEU  60          1HD2      LEU  60  -3.220  -4.672   5.055
  391   3HD2  LEU  60          2HD2      LEU  60  -4.625  -4.241   6.043
  392    H    THR  61           H        THR  61  -1.199  -2.423   1.492
  393    HA   THR  61           HA       THR  61   0.363  -1.265   3.544
  394    HB   THR  61           HB       THR  61   1.262  -1.912   0.718
  395    HG1  THR  61          1HG       THR  61   0.231  -3.674   1.843
  396   1HG2  THR  61          3HG2      THR  61   2.758  -1.723   3.371
  397   2HG2  THR  61          1HG2      THR  61   3.443  -2.340   1.861
  398   3HG2  THR  61          2HG2      THR  61   2.960  -0.637   1.979
  399    H    ARG  62           H        ARG  62  -0.276   0.012   0.178
  400    HA   ARG  62           HA       ARG  62   1.147   2.438   0.806
  401   1HB   ARG  62          2HB       ARG  62   0.201   3.448  -1.184
  402   2HB   ARG  62          3HB       ARG  62   1.038   1.911  -1.431
  403   1HG   ARG  62          2HG       ARG  62  -1.098   0.749  -1.652
  404   2HG   ARG  62          3HG       ARG  62  -1.996   2.263  -1.407
  405   1HD   ARG  62          2HD       ARG  62  -1.247   3.151  -3.504
  406   2HD   ARG  62          3HD       ARG  62   0.142   2.075  -3.545
  407    HE   ARG  62           HE       ARG  62  -1.040   0.442  -4.542
  408   1HH1  ARG  62          2HH2      ARG  62  -3.447   2.789  -3.320
  409   2HH1  ARG  62          1HH2      ARG  62  -4.695   2.101  -4.359
  410   1HH2  ARG  62          1HH1      ARG  62  -2.747  -0.403  -5.757
  411   2HH2  ARG  62          2HH1      ARG  62  -4.349   0.294  -5.570
  412    H    HIS  63           H        HIS  63  -2.303   1.572   1.153
  413    HA   HIS  63           HA       HIS  63  -3.250   4.149   1.889
  414   1HB   HIS  63          2HB       HIS  63  -4.811   2.365   1.469
  415   2HB   HIS  63          3HB       HIS  63  -4.104   1.354   2.732
  416    HD1  HIS  63           HD1      HIS  63  -5.629   4.937   2.766
  417    HD2  HIS  63           HD2      HIS  63  -5.486   1.327   4.924
  418    HE1  HIS  63           HE1      HIS  63  -6.942   5.315   4.926
  419    H    SER  64           H        SER  64  -1.676   1.571   3.833
  420    HA   SER  64           HA       SER  64  -1.915   2.806   6.342
  421   1HB   SER  64          2HB       SER  64   0.385   1.053   5.414
  422   2HB   SER  64          3HB       SER  64  -0.088   1.423   7.082
  423    HG   SER  64           HG       SER  64  -1.725   0.098   5.166
  424    H    LEU  65           H        LEU  65   0.069   3.901   3.655
  425    HA   LEU  65           HA       LEU  65   2.085   5.276   5.112
  426   1HB   LEU  65          2HB       LEU  65   0.712   6.109   2.552
  427   2HB   LEU  65          3HB       LEU  65   2.208   6.785   3.185
  428    HG   LEU  65           HG       LEU  65   1.926   3.853   2.439
  429   1HD1  LEU  65          2HD1      LEU  65   1.609   5.397   0.481
  430   2HD1  LEU  65          3HD1      LEU  65   3.142   6.173   0.914
  431   3HD1  LEU  65          1HD1      LEU  65   3.128   4.480   0.371
  432   1HD2  LEU  65          1HD2      LEU  65   4.381   5.577   2.949
  433   2HD2  LEU  65          2HD2      LEU  65   3.780   4.286   4.022
  434   3HD2  LEU  65          3HD2      LEU  65   4.386   3.888   2.413
  435    H    THR  66           H        THR  66  -1.354   5.982   4.497
  436    HA   THR  66           HA       THR  66  -1.246   8.712   5.398
  437    HB   THR  66           HB       THR  66  -3.628   8.681   5.347
  438    HG1  THR  66          1HG       THR  66  -3.488   5.866   5.010
  439   1HG2  THR  66          1HG2      THR  66  -2.390   8.671   3.152
  440   2HG2  THR  66          2HG2      THR  66  -2.675   6.922   3.031
  441   3HG2  THR  66          3HG2      THR  66  -4.046   8.043   3.057
  442    H    HIS  67           H        HIS  67  -1.730   5.606   7.068
  443    HA   HIS  67           HA       HIS  67  -2.541   6.863   9.587
  444   1HB   HIS  67          2HB       HIS  67  -1.718   4.033   8.808
  445   2HB   HIS  67          3HB       HIS  67  -2.059   4.511  10.469
  446    HD1  HIS  67           HD1      HIS  67  -4.652   5.858  10.627
  447    HD2  HIS  67           HD2      HIS  67  -3.836   3.040   7.609
  448    HE1  HIS  67           HE1      HIS  67  -6.904   5.130   9.680
  449    H    THR  68           H        THR  68   0.422   5.348   8.274
  450    HA   THR  68           HA       THR  68   2.019   5.893  10.626
  451    HB   THR  68           HB       THR  68   3.934   5.421   9.019
  452    HG1  THR  68          1HG       THR  68   1.845   4.781   7.218
  453   1HG2  THR  68          1HG2      THR  68   1.627   3.405   9.085
  454   2HG2  THR  68          2HG2      THR  68   3.326   3.036   8.716
  455   3HG2  THR  68          3HG2      THR  68   2.873   3.607  10.334
  456    H    GLY  69           H        GLY  69   1.112   7.780   7.788
  457   1HA   GLY  69          2HA       GLY  69   1.287  10.040   7.442
  458   2HA   GLY  69          3HA       GLY  69   2.229  10.230   8.935
  459    H    GLU  70           H        GLU  70   2.946   7.864   6.402
  460    HA   GLU  70           HA       GLU  70   5.667   8.930   6.116
  461   1HB   GLU  70          2HB       GLU  70   4.202   6.476   5.155
  462   2HB   GLU  70          3HB       GLU  70   5.806   6.852   4.529
  463   1HG   GLU  70          2HG       GLU  70   5.189   6.622   7.493
  464   2HG   GLU  70          3HG       GLU  70   5.801   5.291   6.500
  465    H    LYS  71           H        LYS  71   4.159  10.892   5.356
  466    HA   LYS  71           HA       LYS  71   3.754  11.014   2.436
  467   1HB   LYS  71          2HB       LYS  71   2.276  12.082   4.145
  468   2HB   LYS  71          3HB       LYS  71   3.630  13.096   4.649
  469   1HG   LYS  71          2HG       LYS  71   3.667  14.103   2.335
  470   2HG   LYS  71          3HG       LYS  71   2.256  13.102   1.924
  471   1HD   LYS  71          2HD       LYS  71   1.058  14.115   3.930
  472   2HD   LYS  71          3HD       LYS  71   2.436  15.205   4.147
  473   1HE   LYS  71          2HE       LYS  71   0.641  15.019   1.694
  474   2HE   LYS  71          3HE       LYS  71   0.569  16.280   2.933
  475   1HZ   LYS  71          3HZ       LYS  71   2.810  16.911   2.342
  476   2HZ   LYS  71          1HZ       LYS  71   2.843  15.789   1.130
  477   3HZ   LYS  71          2HZ       LYS  71   1.781  17.037   1.059
  478    H    ASN  72           H        ASN  72   6.131  10.201   2.386
  479    HA   ASN  72           HA       ASN  72   8.052  12.518   2.568
  480   1HB   ASN  72          2HB       ASN  72   8.448   9.593   3.251
  481   2HB   ASN  72          3HB       ASN  72   9.753  10.786   3.185
  482   1HD2  ASN  72          1HD2      ASN  72   7.956  10.482   6.663
  483   2HD2  ASN  72          2HD2      ASN  72   8.082   9.184   5.491
  484    H    PHE  73           H        PHE  73   6.546  10.873   0.140
  485    HA   PHE  73           HA       PHE  73   8.987  10.259  -1.381
  486   1HB   PHE  73          2HB       PHE  73   6.072  10.336  -2.199
  487   2HB   PHE  73          3HB       PHE  73   7.409   9.977  -3.287
  488    HD1  PHE  73           HD2      PHE  73   9.112   8.139  -2.564
  489    HD2  PHE  73           HD1      PHE  73   5.294   8.643  -0.673
  490    HE1  PHE  73           HE2      PHE  73   9.353   5.931  -1.510
  491    HE2  PHE  73           HE1      PHE  73   5.452   6.368   0.283
  492    HZ   PHE  73           HZ       PHE  73   7.532   5.032  -0.047
  493    H    THR  74           H        THR  74  10.084  12.055  -1.146
  494    HA   THR  74           HA       THR  74   9.220  14.699  -1.789
  495    HB   THR  74           HB       THR  74  12.006  13.571  -1.407
  496    HG1  THR  74          1HG       THR  74  10.537  13.083   0.347
  497   1HG2  THR  74          1HG2      THR  74  10.861  16.369  -0.997
  498   2HG2  THR  74          2HG2      THR  74  12.501  15.850  -0.566
  499   3HG2  THR  74          3HG2      THR  74  12.016  15.884  -2.269
  500    H    CYS  75           H        CYS  75   9.057  15.599  -3.769
  501    HA   CYS  75           HA       CYS  75   9.988  14.407  -6.215
  502   1HB   CYS  75          2HB       CYS  75   8.199  15.927  -6.378
  503   2HB   CYS  75          3HB       CYS  75   9.009  17.155  -5.395
  504    H    ASP  76           H        ASP  76  12.106  14.207  -6.771
  505    HA   ASP  76           HA       ASP  76  14.185  15.672  -5.386
  506   1HB   ASP  76          2HB       ASP  76  14.504  13.370  -6.060
  507   2HB   ASP  76          3HB       ASP  76  14.265  13.789  -7.770
  508    H    SER  77           H        SER  77  13.232  17.791  -5.924
  509    HA   SER  77           HA       SER  77  14.566  18.983  -8.280
  510   1HB   SER  77          2HB       SER  77  12.230  18.334  -8.974
  511   2HB   SER  77          3HB       SER  77  11.605  19.380  -7.679
  512    HG   SER  77           HG       SER  77  11.724  20.393  -9.758
  513    H    ASP  78           H        ASP  78  15.807  20.484  -7.268
  514    HA   ASP  78           HA       ASP  78  15.662  21.301  -4.642
  515   1HB   ASP  78          2HB       ASP  78  16.700  22.898  -7.025
  516   2HB   ASP  78          3HB       ASP  78  17.087  23.220  -5.329
  517    H    GLY  79           H        GLY  79  14.438  22.715  -3.461
  518   1HA   GLY  79          2HA       GLY  79  13.087  24.551  -2.995
  519   2HA   GLY  79          3HA       GLY  79  13.019  24.985  -4.711
  520    H    CYS  80           H        CYS  80  12.087  22.840  -5.978
  521    HA   CYS  80           HA       CYS  80   9.288  22.570  -5.137
  522   1HB   CYS  80          2HB       CYS  80   9.871  22.986  -7.434
  523   2HB   CYS  80          3HB       CYS  80  10.942  21.597  -7.492
  524    H    ASP  81           H        ASP  81  10.906  21.524  -3.146
  525    HA   ASP  81           HA       ASP  81  11.145  18.607  -3.465
  526   1HB   ASP  81          2HB       ASP  81  11.685  20.440  -1.115
  527   2HB   ASP  81          3HB       ASP  81  12.027  18.706  -1.168
  528    H    LEU  82           H        LEU  82   8.628  19.095  -4.017
  529    HA   LEU  82           HA       LEU  82   6.859  19.190  -1.718
  530   1HB   LEU  82          2HB       LEU  82   6.489  18.402  -4.622
  531   2HB   LEU  82          3HB       LEU  82   5.152  18.378  -3.458
  532    HG   LEU  82           HG       LEU  82   6.803  20.850  -4.147
  533   1HD1  LEU  82          1HD1      LEU  82   5.574  20.012  -6.112
  534   2HD1  LEU  82          2HD1      LEU  82   4.067  19.964  -5.169
  535   3HD1  LEU  82          3HD1      LEU  82   4.857  21.517  -5.517
  536   1HD2  LEU  82          1HD2      LEU  82   4.150  20.492  -2.660
  537   2HD2  LEU  82          2HD2      LEU  82   5.681  21.052  -1.948
  538   3HD2  LEU  82          3HD2      LEU  82   4.847  22.051  -3.139
  539    H    ARG  83           H        ARG  83   6.123  17.562  -0.456
  540    HA   ARG  83           HA       ARG  83   7.191  14.825  -0.885
  541   1HB   ARG  83          2HB       ARG  83   5.939  16.165   1.533
  542   2HB   ARG  83          3HB       ARG  83   6.557  14.504   1.435
  543   1HG   ARG  83          2HG       ARG  83   8.806  15.326   0.895
  544   2HG   ARG  83          3HG       ARG  83   8.257  17.003   1.026
  545   1HD   ARG  83          2HD       ARG  83   8.142  14.946   3.296
  546   2HD   ARG  83          3HD       ARG  83   9.417  16.130   3.054
  547    HE   ARG  83           HE       ARG  83   8.009  17.912   3.562
  548   1HH1  ARG  83          1HH1      ARG  83   6.180  14.830   3.913
  549   2HH1  ARG  83          2HH1      ARG  83   5.047  15.543   5.011
  550   1HH2  ARG  83          1HH2      ARG  83   6.458  18.778   4.924
  551   2HH2  ARG  83          2HH2      ARG  83   5.157  17.802   5.549
  552    H    PHE  84           H        PHE  84   5.872  13.419  -1.870
  553    HA   PHE  84           HA       PHE  84   2.932  13.824  -1.731
  554   1HB   PHE  84          2HB       PHE  84   4.603  12.078  -3.550
  555   2HB   PHE  84          3HB       PHE  84   2.866  12.274  -3.640
  556    HD1  PHE  84           HD1      PHE  84   6.117  14.078  -4.113
  557    HD2  PHE  84           HD2      PHE  84   1.846  14.181  -4.736
  558    HE1  PHE  84           HE1      PHE  84   6.328  16.251  -5.214
  559    HE2  PHE  84           HE2      PHE  84   2.104  16.332  -5.938
  560    HZ   PHE  84           HZ       PHE  84   4.300  17.475  -5.978
  561    H    THR  85           H        THR  85   1.557  11.907  -1.571
  562    HA   THR  85           HA       THR  85   2.188  10.233   0.703
  563    HB   THR  85           HB       THR  85  -0.069   9.241  -0.090
  564    HG1  THR  85          1HG       THR  85  -1.143  10.658  -1.566
  565   1HG2  THR  85          3HG2      THR  85   0.180  10.965   1.708
  566   2HG2  THR  85          2HG2      THR  85   0.027  12.243   0.484
  567   3HG2  THR  85          1HG2      THR  85  -1.320  11.115   0.791
  568    H    THR  86           H        THR  86   1.594   9.462  -2.788
  569    HA   THR  86           HA       THR  86   3.000   6.866  -2.274
  570    HB   THR  86           HB       THR  86   1.790   5.985  -4.140
  571    HG1  THR  86          1HG       THR  86   0.092   7.488  -5.021
  572   1HG2  THR  86          3HG2      THR  86   0.628   6.037  -1.914
  573   2HG2  THR  86          1HG2      THR  86  -0.205   7.524  -2.420
  574   3HG2  THR  86          2HG2      THR  86  -0.475   6.006  -3.299
  575    H    LYS  87           H        LYS  87   4.507   6.109  -3.766
  576    HA   LYS  87           HA       LYS  87   6.298   7.952  -4.945
  577   1HB   LYS  87          2HB       LYS  87   5.686   5.019  -5.530
  578   2HB   LYS  87          3HB       LYS  87   6.983   5.915  -6.339
  579   1HG   LYS  87          2HG       LYS  87   8.053   6.456  -4.266
  580   2HG   LYS  87          3HG       LYS  87   6.776   5.679  -3.308
  581   1HD   LYS  87          2HD       LYS  87   8.418   4.226  -5.404
  582   2HD   LYS  87          3HD       LYS  87   9.002   4.382  -3.753
  583   1HE   LYS  87          2HE       LYS  87   6.258   3.177  -4.358
  584   2HE   LYS  87          3HE       LYS  87   7.735   2.218  -4.289
  585   1HZ   LYS  87          1HZ       LYS  87   6.734   3.879  -2.097
  586   2HZ   LYS  87          2HZ       LYS  87   6.606   2.238  -2.202
  587   3HZ   LYS  87          3HZ       LYS  87   8.091   2.941  -2.075
  588    H    ALA  88           H        ALA  88   3.528   6.122  -6.357
  589    HA   ALA  88           HA       ALA  88   3.940   7.123  -8.981
  590   1HB   ALA  88          1HB       ALA  88   2.679   5.152  -8.530
  591   2HB   ALA  88          2HB       ALA  88   1.358   6.100  -7.780
  592   3HB   ALA  88          3HB       ALA  88   1.752   6.304  -9.514
  593    H    ASN  89           H        ASN  89   2.066   8.549  -6.202
  594    HA   ASN  89           HA       ASN  89   0.970  10.693  -7.787
  595   1HB   ASN  89          2HB       ASN  89   1.657  10.507  -4.825
  596   2HB   ASN  89          3HB       ASN  89   0.942  11.940  -5.573
  597   1HD2  ASN  89          1HD2      ASN  89  -1.867   9.894  -4.206
  598   2HD2  ASN  89          2HD2      ASN  89  -0.426  10.613  -3.471
  599    H    MET  90           H        MET  90   4.075  10.292  -6.042
  600    HA   MET  90           HA       MET  90   5.131  12.865  -6.705
  601   1HB   MET  90          2HB       MET  90   6.186  11.684  -4.994
  602   2HB   MET  90          3HB       MET  90   6.414  10.229  -5.932
  603   1HG   MET  90          2HG       MET  90   7.760  12.830  -6.693
  604   2HG   MET  90          3HG       MET  90   8.420  11.799  -5.431
  605   1HE   MET  90          3HE       MET  90   9.418   9.381  -5.751
  606   2HE   MET  90          1HE       MET  90   7.971   8.758  -6.572
  607   3HE   MET  90          2HE       MET  90   9.552   8.585  -7.334
  608    H    LYS  91           H        LYS  91   5.277   9.749  -8.500
  609    HA   LYS  91           HA       LYS  91   6.822  10.720 -10.690
  610   1HB   LYS  91          2HB       LYS  91   4.661   8.578 -10.678
  611   2HB   LYS  91          3HB       LYS  91   5.764   8.886 -12.008
  612   1HG   LYS  91          2HG       LYS  91   6.642   7.984  -9.230
  613   2HG   LYS  91          3HG       LYS  91   6.394   6.947 -10.635
  614   1HD   LYS  91          2HD       LYS  91   8.143   8.384 -11.848
  615   2HD   LYS  91          3HD       LYS  91   8.495   9.115 -10.262
  616   1HE   LYS  91          2HE       LYS  91   8.956   6.843  -9.340
  617   2HE   LYS  91          3HE       LYS  91   8.632   6.135 -10.936
  618   1HZ   LYS  91          1HZ       LYS  91  10.461   7.399 -11.798
  619   2HZ   LYS  91          2HZ       LYS  91  10.769   8.049 -10.314
  620   3HZ   LYS  91          3HZ       LYS  91  10.949   6.429 -10.560
  621    H    LYS  92           H        LYS  92   3.246  10.565 -10.323
  622    HA   LYS  92           HA       LYS  92   2.541  11.764 -12.773
  623   1HB   LYS  92          2HB       LYS  92   1.184  12.059 -10.049
  624   2HB   LYS  92          3HB       LYS  92   0.522  12.624 -11.591
  625   1HG   LYS  92          2HG       LYS  92   0.902  10.087 -12.301
  626   2HG   LYS  92          3HG       LYS  92   0.764   9.810 -10.561
  627   1HD   LYS  92          2HD       LYS  92  -1.289  11.263 -12.305
  628   2HD   LYS  92          3HD       LYS  92  -1.367   9.580 -11.791
  629   1HE   LYS  92          2HE       LYS  92  -2.844  10.831 -10.412
  630   2HE   LYS  92          3HE       LYS  92  -1.494  10.287  -9.403
  631   1HZ   LYS  92          1HZ       LYS  92  -1.770  12.973 -10.581
  632   2HZ   LYS  92          2HZ       LYS  92  -2.208  12.577  -9.045
  633   3HZ   LYS  92          3HZ       LYS  92  -0.630  12.492  -9.494
  634    H    HIS  93           H        HIS  93   3.112  13.414  -9.589
  635    HA   HIS  93           HA       HIS  93   2.807  16.051 -10.586
  636   1HB   HIS  93          2HB       HIS  93   2.923  15.851  -8.260
  637   2HB   HIS  93          3HB       HIS  93   4.404  14.885  -8.298
  638    HD1  HIS  93           HD1      HIS  93   3.356  18.591  -8.845
  639    HD2  HIS  93           HD2      HIS  93   6.741  16.113  -8.475
  640    HE1  HIS  93           HE1      HIS  93   5.388  20.114  -8.896
  641    H    PHE  94           H        PHE  94   5.811  14.117 -10.231
  642    HA   PHE  94           HA       PHE  94   7.585  16.006 -11.234
  643   1HB   PHE  94          2HB       PHE  94   8.001  13.684 -10.159
  644   2HB   PHE  94          3HB       PHE  94   7.899  13.032 -11.787
  645    HD1  PHE  94           HD1      PHE  94   9.560  14.073 -13.563
  646    HD2  PHE  94           HD2      PHE  94   9.970  14.619  -9.299
  647    HE1  PHE  94           HE1      PHE  94  11.889  14.851 -13.877
  648    HE2  PHE  94           HE2      PHE  94  12.308  15.379  -9.628
  649    HZ   PHE  94           HZ       PHE  94  13.264  15.514 -11.910
  650    H    ASN  95           H        ASN  95   5.719  13.543 -12.987
  651    HA   ASN  95           HA       ASN  95   6.697  14.094 -15.571
  652   1HB   ASN  95          2HB       ASN  95   4.215  12.780 -14.464
  653   2HB   ASN  95          3HB       ASN  95   4.247  13.177 -16.174
  654   1HD2  ASN  95          1HD2      ASN  95   6.422  10.034 -14.795
  655   2HD2  ASN  95          2HD2      ASN  95   5.488  11.065 -13.709
  656    H    ARG  96           H        ARG  96   3.625  15.032 -14.101
  657    HA   ARG  96           HA       ARG  96   2.520  16.750 -15.919
  658   1HB   ARG  96          2HB       ARG  96   1.450  15.807 -13.981
  659   2HB   ARG  96          3HB       ARG  96   2.461  16.754 -12.894
  660   1HG   ARG  96          2HG       ARG  96   1.377  18.831 -13.695
  661   2HG   ARG  96          3HG       ARG  96   0.368  17.888 -14.804
  662   1HD   ARG  96          2HD       ARG  96   0.482  17.464 -11.783
  663   2HD   ARG  96          3HD       ARG  96  -0.735  18.472 -12.589
  664    HE   ARG  96           HE       ARG  96  -1.054  16.176 -13.933
  665   1HH1  ARG  96          1HH1      ARG  96  -0.801  16.638 -10.412
  666   2HH1  ARG  96          2HH1      ARG  96  -2.117  15.538 -10.057
  667   1HH2  ARG  96          1HH2      ARG  96  -2.660  14.644 -13.425
  668   2HH2  ARG  96          2HH2      ARG  96  -3.112  14.354 -11.765
  669    H    PHE  97           H        PHE  97   4.847  17.655 -13.336
  670    HA   PHE  97           HA       PHE  97   4.829  20.462 -14.246
  671   1HB   PHE  97          2HB       PHE  97   5.985  19.037 -11.840
  672   2HB   PHE  97          3HB       PHE  97   6.381  20.694 -12.248
  673    HD1  PHE  97           HD1      PHE  97   3.212  18.657 -11.905
  674    HD2  PHE  97           HD2      PHE  97   5.280  22.355 -11.093
  675    HE1  PHE  97           HE1      PHE  97   1.192  19.560 -10.798
  676    HE2  PHE  97           HE2      PHE  97   3.340  23.139  -9.779
  677    HZ   PHE  97           HZ       PHE  97   1.314  21.721  -9.577
  678    H    HIS  98           H        HIS  98   7.069  17.690 -14.525
  679    HA   HIS  98           HA       HIS  98   9.149  19.623 -15.525
  680   1HB   HIS  98          2HB       HIS  98   9.711  17.015 -14.128
  681   2HB   HIS  98          3HB       HIS  98  10.837  18.295 -14.571
  682    HD1  HIS  98           HD1      HIS  98   9.153  20.771 -13.387
  683    HD2  HIS  98           HD2      HIS  98   9.654  17.043 -11.527
  684    HE1  HIS  98           HE1      HIS  98   8.622  21.111 -10.915
  685    H    ASN  99           H        ASN  99   7.479  16.555 -16.218
  686    HA   ASN  99           HA       ASN  99   9.292  16.067 -18.520
  687   1HB   ASN  99          2HB       ASN  99   8.458  14.150 -17.233
  688   2HB   ASN  99          3HB       ASN  99   6.789  14.624 -17.623
  689   1HD2  ASN  99          1HD2      ASN  99   7.177  12.074 -20.032
  690   2HD2  ASN  99          2HD2      ASN  99   6.757  12.327 -18.341
  691    H    ILE 100           H        ILE 100   5.748  16.367 -18.099
  692    HA   ILE 100           HA       ILE 100   5.526  17.516 -20.832
  693    HB   ILE 100           HB       ILE 100   3.168  17.128 -20.649
  694   1HG1  ILE 100          2HG1      ILE 100   3.630  15.891 -17.905
  695   2HG1  ILE 100          3HG1      ILE 100   2.993  17.528 -18.141
  696   1HG2  ILE 100          1HG2      ILE 100   4.753  15.330 -21.385
  697   2HG2  ILE 100          2HG2      ILE 100   4.703  14.653 -19.746
  698   3HG2  ILE 100          3HG2      ILE 100   3.234  14.707 -20.739
  699   1HD1  ILE 100          2HD1      ILE 100   1.105  16.576 -19.471
  700   2HD1  ILE 100          3HD1      ILE 100   1.693  14.941 -19.085
  701   3HD1  ILE 100          1HD1      ILE 100   1.143  16.013 -17.791
  702    H    LYS 101           H        LYS 101   6.275  18.879 -17.999
  703    HA   LYS 101           HA       LYS 101   6.030  20.942 -17.070
  704   1HB   LYS 101          2HB       LYS 101   5.309  21.868 -19.870
  705   2HB   LYS 101          3HB       LYS 101   6.084  22.803 -18.591
  706   1HG   LYS 101          2HG       LYS 101   7.300  20.445 -20.106
  707   2HG   LYS 101          3HG       LYS 101   7.663  22.155 -20.342
  708   1HD   LYS 101          2HD       LYS 101   8.484  22.302 -17.978
  709   2HD   LYS 101          3HD       LYS 101   8.244  20.557 -17.800
  710   1HE   LYS 101          2HE       LYS 101  10.072  21.881 -19.861
  711   2HE   LYS 101          3HE       LYS 101  10.597  21.142 -18.337
  712   1HZ   LYS 101          1HZ       LYS 101   9.229  19.691 -20.496
  713   2HZ   LYS 101          2HZ       LYS 101  10.849  19.662 -20.189
  714   3HZ   LYS 101          3HZ       LYS 101   9.790  19.061 -19.080
  715   1H5*    T   1          1H5*        T   1  -5.047  23.483 -16.536
  716   2H5*    T   1          2H5*        T   1  -3.385  22.852 -16.620
  717    H4*    T   1           H4*        T   1  -4.200  23.621 -14.297
  718    H3*    T   1           H3*        T   1  -2.771  21.145 -14.953
  719   1H2*    T   1          1H2*        T   1  -4.309  19.816 -13.874
  720   2H2*    T   1          2H2*        T   1  -3.576  20.410 -12.360
  721    H1*    T   1           H1*        T   1  -5.141  22.260 -12.248
  722    H3     T   1           H3         T   1  -8.388  19.925 -10.034
  723   1H5M    T   1          1H5M        T   1  -9.586  18.969 -14.911
  724   2H5M    T   1          2H5M        T   1  -8.205  17.848 -14.968
  725   3H5M    T   1          3H5M        T   1  -9.553  17.539 -13.863
  726    H6     T   1           H6         T   1  -6.773  19.843 -14.557
  727    H5T    T   1           H5T        T   1  -5.660  21.260 -16.126
  728   1H5*    T   2          1H5*        T   2  -2.470  22.541 -10.580
  729   2H5*    T   2          2H5*        T   2  -0.818  22.340  -9.977
  730    H4*    T   2           H4*        T   2  -2.247  21.394  -8.321
  731    H3*    T   2           H3*        T   2  -1.076  19.200 -10.072
  732   1H2*    T   2          1H2*        T   2  -2.497  17.730  -9.221
  733   2H2*    T   2          2H2*        T   2  -2.294  18.302  -7.536
  734    H1*    T   2           H1*        T   2  -3.992  19.768  -7.699
  735    H3     T   2           H3         T   2  -7.677  17.156  -8.236
  736   1H5M    T   2          1H5M        T   2  -6.807  16.625 -12.818
  737   2H5M    T   2          2H5M        T   2  -5.297  17.521 -13.072
  738   3H5M    T   2          3H5M        T   2  -5.255  15.855 -12.454
  739    H6     T   2           H6         T   2  -4.022  18.305 -11.130
  740   1H5*    G   3          1H5*        G   3  -0.360  19.410  -5.471
  741   2H5*    G   3          2H5*        G   3   1.098  18.526  -4.984
  742    H4*    G   3           H4*        G   3  -0.929  18.233  -3.509
  743    H3*    G   3           H3*        G   3   0.919  16.332  -3.883
  744   1H2*    G   3          1H2*        G   3  -0.128  15.451  -5.935
  745   2H2*    G   3          2H2*        G   3  -0.715  14.289  -4.730
  746    H1*    G   3           H1*        G   3  -2.704  15.556  -4.305
  747    H8     G   3           H8         G   3  -1.232  15.489  -7.890
  748    H1     G   3           H1         G   3  -7.523  14.236  -7.386
  749   1H2     G   3           H21        G   3  -8.110  14.491  -5.163
  750   2H2     G   3           H22        G   3  -6.927  15.074  -4.014
  751   1H5*    G   4          1H5*        G   4  -2.374  16.059  -0.708
  752   2H5*    G   4          2H5*        G   4  -1.789  15.235   0.748
  753    H4*    G   4           H4*        G   4  -4.248  15.105   0.544
  754    H3*    G   4           H3*        G   4  -2.627  12.933   1.085
  755   1H2*    G   4          1H2*        G   4  -2.643  12.063  -1.133
  756   2H2*    G   4          2H2*        G   4  -4.049  11.172  -0.498
  757    H1*    G   4           H1*        G   4  -5.578  12.806  -1.337
  758    H8     G   4           H8         G   4  -2.244  13.193  -3.356
  759    H1     G   4           H1         G   4  -7.199  10.912  -6.742
  760   1H2     G   4           H21        G   4  -8.884  10.364  -5.252
  761   2H2     G   4           H22        G   4  -8.778  10.904  -3.589
  762   1H5*    A   5          1H5*        A   5  -7.116  11.492   0.804
  763   2H5*    A   5          2H5*        A   5  -7.406  10.281   2.073
  764    H4*    A   5           H4*        A   5  -8.284   9.499  -0.061
  765    H3*    A   5           H3*        A   5  -6.236   7.977   1.383
  766   1H2*    A   5          1H2*        A   5  -4.836   7.976  -0.459
  767   2H2*    A   5          2H2*        A   5  -5.873   6.646  -1.032
  768    H1*    A   5           H1*        A   5  -7.353   8.210  -2.176
  769    H8     A   5           H8         A   5  -3.636   9.400  -1.979
  770   1H6     A   5           H61        A   5  -3.687   8.763  -8.143
  771   2H6     A   5           H62        A   5  -2.698   9.200  -6.755
  772    H2     A   5           H2         A   5  -7.636   7.459  -6.600
  773   1H5*    T   6          1H5*        T   6  -9.764   6.195  -1.261
  774   2H5*    T   6          2H5*        T   6 -10.280   4.691  -0.470
  775    H4*    T   6           H4*        T   6 -10.638   4.611  -2.916
  776    H3*    T   6           H3*        T   6  -9.297   2.619  -1.396
  777   1H2*    T   6          1H2*        T   6  -7.216   3.071  -2.270
  778   2H2*    T   6          2H2*        T   6  -7.733   1.912  -3.501
  779    H1*    T   6           H1*        T   6  -8.656   3.687  -4.897
  780    H3     T   6           H3         T   6  -4.943   5.000  -7.209
  781   1H5M    T   6          1H5M        T   6  -2.718   4.856  -2.831
  782   2H5M    T   6          2H5M        T   6  -2.988   6.566  -3.179
  783   3H5M    T   6          3H5M        T   6  -3.926   5.758  -1.906
  784    H6     T   6           H6         T   6  -6.032   4.831  -2.532
  785   1H5*    G   7          1H5*        G   7 -11.629   1.253  -5.647
  786   2H5*    G   7          2H5*        G   7 -12.125  -0.407  -5.257
  787    H4*    G   7           H4*        G   7 -11.649  -0.150  -7.650
  788    H3*    G   7           H3*        G   7 -10.624  -2.267  -6.097
  789   1H2*    G   7          1H2*        G   7  -8.523  -1.391  -5.847
  790   2H2*    G   7          2H2*        G   7  -8.241  -2.331  -7.322
  791    H1*    G   7           H1*        G   7  -8.601  -0.421  -8.740
  792    H8     G   7           H8         G   7  -7.585   0.496  -5.097
  793    H1     G   7           H1         G   7  -3.364   2.319  -9.559
  794   1H2     G   7           H21        G   7  -4.108   1.682 -11.619
  795   2H2     G   7           H22        G   7  -5.654   0.872 -11.774
  796   1H5*    G   8          1H5*        G   8  -9.680  -2.192 -10.762
  797   2H5*    G   8          2H5*        G   8  -9.961  -3.848 -11.338
  798    H4*    G   8           H4*        G   8  -8.152  -2.886 -12.599
  799    H3*    G   8           H3*        G   8  -7.866  -5.329 -11.158
  800   1H2*    G   8          1H2*        G   8  -6.442  -4.327  -9.570
  801   2H2*    G   8          2H2*        G   8  -5.201  -4.871 -10.707
  802    H1*    G   8           H1*        G   8  -5.269  -2.706 -11.890
  803    H8     G   8           H8         G   8  -6.275  -2.414  -8.162
  804    H1     G   8           H1         G   8  -0.469   0.017  -9.441
  805   1H2     G   8           H21        G   8  -0.014  -0.293 -11.685
  806   2H2     G   8           H22        G   8  -1.215  -1.024 -12.742
  807   1H5*    G   9          1H5*        G   9  -4.580  -3.758 -14.245
  808   2H5*    G   9          2H5*        G   9  -4.335  -5.156 -15.311
  809    H4*    G   9           H4*        G   9  -2.280  -3.930 -15.236
  810    H3*    G   9           H3*        G   9  -2.411  -6.672 -14.613
  811   1H2*    G   9          1H2*        G   9  -2.279  -6.195 -12.244
  812   2H2*    G   9          2H2*        G   9  -0.592  -6.563 -12.633
  813    H1*    G   9           H1*        G   9  -0.154  -4.176 -13.085
  814    H8     G   9           H8         G   9  -2.837  -4.846 -10.316
  815    H1     G   9           H1         G   9   2.529  -1.992  -8.256
  816   1H2     G   9           H21        G   9   3.993  -1.791 -10.067
  817   2H2     G   9           H22        G   9   3.460  -2.269 -11.675
  818   1H5*    A  10          1H5*        A  10   1.792  -4.305 -15.053
  819   2H5*    A  10          2H5*        A  10   2.634  -5.375 -16.190
  820    H4*    A  10           H4*        A  10   4.263  -4.129 -14.929
  821    H3*    A  10           H3*        A  10   4.223  -6.989 -15.046
  822   1H2*    A  10          1H2*        A  10   3.803  -7.256 -12.778
  823   2H2*    A  10          2H2*        A  10   5.567  -7.088 -12.630
  824    H1*    A  10           H1*        A  10   5.383  -4.708 -12.190
  825    H8     A  10           H8         A  10   1.975  -6.374 -11.420
  826   1H6     A  10           H61        A  10   2.819  -4.744  -5.565
  827   2H6     A  10           H62        A  10   1.767  -5.486  -6.758
  828    H2     A  10           H2         A  10   6.512  -3.595  -7.866
  829   1H5*    G  11          1H5*        G  11   7.918  -4.922 -13.373
  830   2H5*    G  11          2H5*        G  11   9.456  -5.693 -13.814
  831    H4*    G  11           H4*        G  11   9.331  -5.076 -11.423
  832    H3*    G  11           H3*        G  11   9.892  -7.830 -12.325
  833   1H2*    G  11          1H2*        G  11   8.296  -8.691 -10.874
  834   2H2*    G  11          2H2*        G  11   9.515  -8.393  -9.605
  835    H1*    G  11           H1*        G  11   8.640  -6.149  -9.233
  836    H8     G  11           H8         G  11   5.645  -8.339 -10.522
  837    H1     G  11           H1         G  11   5.480  -6.736  -4.298
  838   1H2     G  11           H21        G  11   7.556  -5.809  -3.753
  839   2H2     G  11           H22        G  11   8.683  -5.411  -5.034
  840   1H5*    A  12          1H5*        A  12  11.925  -5.420  -8.744
  841   2H5*    A  12          2H5*        A  12  13.635  -5.888  -8.796
  842    H4*    A  12           H4*        A  12  12.964  -5.211  -6.541
  843    H3*    A  12           H3*        A  12  14.381  -7.565  -7.130
  844   1H2*    A  12          1H2*        A  12  12.532  -8.994  -6.808
  845   2H2*    A  12          2H2*        A  12  13.162  -8.998  -5.143
  846    H1*    A  12           H1*        A  12  11.676  -7.209  -4.488
  847    H8     A  12           H8         A  12  10.249  -9.131  -7.587
  848   1H6     A  12           H61        A  12   5.301 -10.214  -4.083
  849   2H6     A  12           H62        A  12   6.088 -10.434  -5.644
  850    H2     A  12           H2         A  12   8.316  -8.051  -1.566
  851   1H5*    C  13          1H5*        C  13  13.698  -6.395  -2.591
  852   2H5*    C  13          2H5*        C  13  15.168  -6.742  -1.655
  853    H4*    C  13           H4*        C  13  13.101  -7.276  -0.402
  854    H3*    C  13           H3*        C  13  15.248  -9.212  -0.877
  855   1H2*    C  13          1H2*        C  13  13.806 -10.805  -1.699
  856   2H2*    C  13          2H2*        C  13  13.339 -11.065  -0.001
  857    H1*    C  13           H1*        C  13  11.562  -9.427  -0.157
  858   1H4     C  13           H41        C  13   8.661 -12.677  -5.259
  859   2H4     C  13           H42        C  13   7.604 -12.807  -3.864
  860    H5     C  13           H5         C  13  10.944 -11.727  -5.080
  861    H6     C  13           H6         C  13  12.445 -10.529  -3.613
  862   1H5*    C  14          1H5*        C  14  12.441  -9.660   2.830
  863   2H5*    C  14          2H5*        C  14  13.293 -10.348   4.230
  864    H4*    C  14           H4*        C  14  11.078 -11.408   3.844
  865    H3*    C  14           H3*        C  14  13.562 -13.082   3.588
  866   1H2*    C  14          1H2*        C  14  12.495 -14.564   2.296
  867   2H2*    C  14          2H2*        C  14  11.179 -14.762   3.491
  868    H1*    C  14           H1*        C  14   9.855 -13.098   2.567
  869   1H4     C  14           H41        C  14  10.679 -14.908  -3.805
  870   2H4     C  14           H42        C  14   9.020 -15.254  -3.353
  871    H5     C  14           H5         C  14  12.312 -13.998  -2.195
  872    H6     C  14           H6         C  14  12.567 -13.236   0.126
  873   1H5*    G  15          1H5*        G  15   9.943 -14.533   6.002
  874   2H5*    G  15          2H5*        G  15  10.422 -15.493   7.418
  875    H4*    G  15           H4*        G  15   8.524 -16.504   6.176
  876    H3*    G  15           H3*        G  15  10.918 -17.961   6.901
  877   1H2*    G  15          1H2*        G  15  11.503 -18.379   4.687
  878   2H2*    G  15          2H2*        G  15  10.334 -19.722   4.872
  879    H1*    G  15           H1*        G  15   8.516 -18.352   4.015
  880    H8     G  15           H8         G  15  12.070 -17.452   2.688
  881    H1     G  15           H1         G  15   7.699 -18.480  -1.904
  882   1H2     G  15           H21        G  15   5.713 -19.122  -0.899
  883   2H2     G  15           H22        G  15   5.596 -19.195   0.846
  884    H3T    G  15           H3T        G  15   8.813 -18.413   7.656
  885   1H5*    C  16          1H5*        C  16   3.986 -23.691  -7.238
  886   2H5*    C  16          2H5*        C  16   2.287 -23.344  -7.615
  887    H4*    C  16           H4*        C  16   2.877 -22.653  -5.293
  888    H3*    C  16           H3*        C  16   2.015 -20.615  -7.321
  889   1H2*    C  16          1H2*        C  16   3.265 -19.007  -6.405
  890   2H2*    C  16          2H2*        C  16   2.376 -19.180  -4.862
  891    H1*    C  16           H1*        C  16   3.906 -20.785  -4.032
  892   1H4     C  16           H41        C  16   9.468 -17.364  -5.452
  893   2H4     C  16           H42        C  16   9.336 -17.474  -3.707
  894    H5     C  16           H5         C  16   7.741 -18.245  -6.957
  895    H6     C  16           H6         C  16   5.665 -19.465  -7.037
  896    H5T    C  16           H5T        C  16   4.443 -21.591  -8.163
  897   1H5*    G  17          1H5*        G  17   0.424 -20.817  -3.089
  898   2H5*    G  17          2H5*        G  17  -1.233 -20.256  -2.813
  899    H4*    G  17           H4*        G  17   0.358 -19.509  -1.067
  900    H3*    G  17           H3*        G  17  -1.424 -17.695  -2.388
  901   1H2*    G  17          1H2*        G  17   0.366 -16.609  -3.493
  902   2H2*    G  17          2H2*        G  17   0.349 -15.639  -1.994
  903    H1*    G  17           H1*        G  17   1.948 -17.169  -0.936
  904    H8     G  17           H8         G  17   2.344 -16.707  -4.792
  905    H1     G  17           H1         G  17   7.541 -15.270  -1.294
  906   1H2     G  17           H21        G  17   6.985 -15.504   0.949
  907   2H2     G  17           H22        G  17   5.400 -16.098   1.391
  908   1H5*    G  18          1H5*        G  18   0.447 -17.038   1.979
  909   2H5*    G  18          2H5*        G  18  -0.796 -16.193   2.922
  910    H4*    G  18           H4*        G  18   1.441 -15.647   3.738
  911    H3*    G  18           H3*        G  18  -0.509 -13.710   3.085
  912   1H2*    G  18          1H2*        G  18   0.592 -13.015   1.127
  913   2H2*    G  18          2H2*        G  18   1.383 -11.900   2.269
  914    H1*    G  18           H1*        G  18   3.237 -13.439   2.599
  915    H8     G  18           H8         G  18   1.515 -14.001  -0.866
  916    H1     G  18           H1         G  18   7.574 -11.929  -1.236
  917   1H2     G  18           H21        G  18   8.298 -11.402   0.900
  918   2H2     G  18           H22        G  18   7.324 -11.848   2.294
  919   1H5*    T  19          1H5*        T  19   3.472 -12.127   5.056
  920   2H5*    T  19          2H5*        T  19   3.094 -10.843   6.225
  921    H4*    T  19           H4*        T  19   5.074 -10.284   4.873
  922    H3*    T  19           H3*        T  19   2.674  -8.565   4.913
  923   1H2*    T  19          1H2*        T  19   2.690  -8.343   2.641
  924   2H2*    T  19          2H2*        T  19   4.084  -7.291   2.841
  925    H1*    T  19           H1*        T  19   5.638  -9.149   2.630
  926    H3     T  19           H3         T  19   5.809  -9.252  -1.958
  927   1H5M    T  19          1H5M        T  19   0.902 -10.983  -0.438
  928   2H5M    T  19          2H5M        T  19   0.873  -9.582  -1.535
  929   3H5M    T  19          3H5M        T  19   1.510 -11.149  -2.096
  930    H6     T  19           H6         T  19   2.357 -10.083   1.248
  931   1H5*    C  20          1H5*        C  20   6.854  -6.767   4.320
  932   2H5*    C  20          2H5*        C  20   7.036  -5.075   4.830
  933    H4*    C  20           H4*        C  20   7.886  -5.554   2.522
  934    H3*    C  20           H3*        C  20   5.551  -3.643   2.790
  935   1H2*    C  20          1H2*        C  20   5.302  -3.627   0.540
  936   2H2*    C  20          2H2*        C  20   7.063  -3.641   0.218
  937    H1*    C  20           H1*        C  20   7.248  -5.887   0.200
  938   1H4     C  20           H41        C  20   1.567  -7.312  -3.029
  939   2H4     C  20           H42        C  20   2.899  -7.333  -4.175
  940    H5     C  20           H5         C  20   1.934  -6.666  -0.644
  941    H6     C  20           H6         C  20   3.615  -6.008   0.961
  942   1H5*    T  21          1H5*        T  21   9.589  -2.764   0.889
  943   2H5*    T  21          2H5*        T  21  10.091  -1.064   0.978
  944    H4*    T  21           H4*        T  21  10.637  -2.171  -1.197
  945    H3*    T  21           H3*        T  21   9.468   0.395  -0.907
  946   1H2*    T  21          1H2*        T  21   7.374  -0.261  -1.691
  947   2H2*    T  21          2H2*        T  21   8.091   0.116  -3.274
  948    H1*    T  21           H1*        T  21   8.871  -2.150  -3.577
  949    H3     T  21           H3         T  21   5.088  -3.903  -5.454
  950   1H5M    T  21          1H5M        T  21   2.608  -2.156  -1.834
  951   2H5M    T  21          2H5M        T  21   3.081  -3.632  -0.987
  952   3H5M    T  21          3H5M        T  21   3.774  -2.063  -0.506
  953    H6     T  21           H6         T  21   6.027  -1.949  -1.168
  954   1H5*    C  22          1H5*        C  22  10.581  -0.686  -5.454
  955   2H5*    C  22          2H5*        C  22  11.204   0.789  -6.228
  956    H4*    C  22           H4*        C  22   9.545  -0.314  -7.667
  957    H3*    C  22           H3*        C  22   8.877   2.364  -6.509
  958   1H2*    C  22          1H2*        C  22   6.686   1.969  -6.582
  959   2H2*    C  22          2H2*        C  22   6.745   1.668  -8.342
  960    H1*    C  22           H1*        C  22   7.179  -0.636  -8.079
  961   1H4     C  22           H41        C  22   1.832  -1.273  -4.084
  962   2H4     C  22           H42        C  22   1.393  -1.842  -5.686
  963    H5     C  22           H5         C  22   4.015  -0.178  -3.661
  964    H6     C  22           H6         C  22   6.165   0.335  -4.646
  965   1H5*    C  23          1H5*        C  23   8.026   1.694 -11.050
  966   2H5*    C  23          2H5*        C  23   7.993   3.247 -11.918
  967    H4*    C  23           H4*        C  23   6.057   1.838 -12.473
  968    H3*    C  23           H3*        C  23   5.484   4.374 -10.925
  969   1H2*    C  23          1H2*        C  23   3.333   3.764 -10.678
  970   2H2*    C  23          2H2*        C  23   3.206   3.033 -12.302
  971    H1*    C  23           H1*        C  23   3.816   0.967 -11.659
  972   1H4     C  23           H41        C  23   0.953   1.320  -5.595
  973   2H4     C  23           H42        C  23  -0.188   0.540  -6.671
  974    H5     C  23           H5         C  23   3.054   2.284  -6.433
  975    H6     C  23           H6         C  23   4.436   2.568  -8.397
  976   1H5*    C  24          1H5*        C  24   3.615   3.065 -14.763
  977   2H5*    C  24          2H5*        C  24   3.388   4.399 -15.912
  978    H4*    C  24           H4*        C  24   1.525   2.795 -16.018
  979    H3*    C  24           H3*        C  24   1.236   5.639 -15.571
  980   1H2*    C  24          1H2*        C  24   0.104   5.459 -13.617
  981   2H2*    C  24          2H2*        C  24  -1.309   5.040 -14.623
  982    H1*    C  24           H1*        C  24  -0.969   2.703 -14.340
  983   1H4     C  24           H41        C  24  -0.218   3.313  -7.697
  984   2H4     C  24           H42        C  24  -1.799   2.631  -7.911
  985    H5     C  24           H5         C  24   1.185   3.985  -9.520
  986    H6     C  24           H6         C  24   1.357   4.229 -11.912
  987   1H5*    A  25          1H5*        A  25  -2.371   3.240 -16.795
  988   2H5*    A  25          2H5*        A  25  -3.294   3.972 -18.126
  989    H4*    A  25           H4*        A  25  -4.775   3.084 -16.358
  990    H3*    A  25           H3*        A  25  -4.849   5.820 -17.332
  991   1H2*    A  25          1H2*        A  25  -4.481   6.752 -15.264
  992   2H2*    A  25          2H2*        A  25  -6.209   6.431 -14.985
  993    H1*    A  25           H1*        A  25  -5.729   4.320 -13.916
  994    H8     A  25           H8         A  25  -2.600   6.669 -13.767
  995   1H6     A  25           H61        A  25  -2.870   5.992  -7.647
  996   2H6     A  25           H62        A  25  -1.986   6.636  -9.027
  997    H2     A  25           H2         A  25  -6.510   4.055  -9.409
  998   1H5*    T  26          1H5*        T  26  -8.279   3.820 -15.175
  999   2H5*    T  26          2H5*        T  26  -9.913   4.283 -15.700
 1000    H4*    T  26           H4*        T  26  -9.652   4.169 -13.221
 1001    H3*    T  26           H3*        T  26 -10.451   6.703 -14.609
 1002   1H2*    T  26          1H2*        T  26  -9.481   7.988 -13.025
 1003   2H2*    T  26          2H2*        T  26 -10.525   7.250 -11.782
 1004    H1*    T  26           H1*        T  26  -8.989   5.548 -11.279
 1005    H3     T  26           H3         T  26  -6.104   7.870  -8.631
 1006   1H5M    T  26          1H5M        T  26  -4.995  10.336 -12.749
 1007   2H5M    T  26          2H5M        T  26  -3.707   9.149 -12.484
 1008   3H5M    T  26          3H5M        T  26  -4.861   8.916 -13.809
 1009    H6     T  26           H6         T  26  -6.943   7.856 -13.354
 1010   1H5*    C  27          1H5*        C  27 -12.270   5.179 -10.775
 1011   2H5*    C  27          2H5*        C  27 -14.002   5.527 -10.569
 1012    H4*    C  27           H4*        C  27 -12.706   5.962  -8.504
 1013    H3*    C  27           H3*        C  27 -14.348   7.996  -9.839
 1014   1H2*    C  27          1H2*        C  27 -12.683   9.570  -9.798
 1015   2H2*    C  27          2H2*        C  27 -13.027   9.713  -8.058
 1016    H1*    C  27           H1*        C  27 -11.385   8.038  -7.503
 1017   1H4     C  27           H41        C  27  -6.538  11.528 -10.587
 1018   2H4     C  27           H42        C  27  -6.121  11.415  -8.897
 1019    H5     C  27           H5         C  27  -8.586  10.496 -11.509
 1020    H6     C  27           H6         C  27 -10.614   9.324 -10.934
 1021   1H5*    C  28          1H5*        C  28 -13.811   8.618  -5.244
 1022   2H5*    C  28          2H5*        C  28 -15.264   9.385  -4.567
 1023    H4*    C  28           H4*        C  28 -13.269  10.647  -3.930
 1024    H3*    C  28           H3*        C  28 -15.038  12.013  -5.988
 1025   1H2*    C  28          1H2*        C  28 -13.480  13.601  -6.309
 1026   2H2*    C  28          2H2*        C  28 -13.041  13.697  -4.575
 1027    H1*    C  28           H1*        C  28 -11.433  12.147  -4.689
 1028   1H4     C  28           H41        C  28  -9.145  13.515 -10.843
 1029   2H4     C  28           H42        C  28  -7.909  14.017  -9.716
 1030    H5     C  28           H5         C  28 -11.314  12.596 -10.129
 1031    H6     C  28           H6         C  28 -12.658  12.015  -8.191
 1032   1H5*    A  29          1H5*        A  29 -13.949  13.534  -1.857
 1033   2H5*    A  29          2H5*        A  29 -15.205  14.542  -1.114
 1034    H4*    A  29           H4*        A  29 -12.851  15.251  -0.640
 1035    H3*    A  29           H3*        A  29 -14.980  16.959  -1.116
 1036   1H2*    A  29          1H2*        A  29 -14.511  17.303  -3.391
 1037   2H2*    A  29          2H2*        A  29 -13.589  18.668  -2.729
 1038    H1*    A  29           H1*        A  29 -11.543  17.443  -2.731
 1039    H8     A  29           H8         A  29 -14.190  16.303  -5.367
 1040   1H6     A  29           H61        A  29  -9.561  16.337  -9.447
 1041   2H6     A  29           H62        A  29 -11.280  16.084  -9.162
 1042    H2     A  29           H2         A  29  -7.897  17.551  -5.458
 1043   1H5*    A  30          1H5*        A  30 -10.675  18.727  -0.191
 1044   2H5*    A  30          2H5*        A  30 -10.811  20.196   0.799
 1045    H4*    A  30           H4*        A  30  -8.973  20.354  -0.843
 1046    H3*    A  30           H3*        A  30 -11.063  22.353  -0.599
 1047   1H2*    A  30          1H2*        A  30 -11.818  22.014  -2.790
 1048   2H2*    A  30          2H2*        A  30 -10.467  23.128  -3.170
 1049    H1*    A  30           H1*        A  30  -8.945  21.248  -3.500
 1050    H8     A  30           H8         A  30 -12.657  20.222  -4.229
 1051   1H6     A  30           H61        A  30 -10.748  19.116  -9.974
 1052   2H6     A  30           H62        A  30 -12.097  19.148  -8.841
 1053    H2     A  30           H2         A  30  -7.256  20.722  -7.660
 1054    H3T    A  30           H3T        A  30  -8.845  22.689  -0.174
   
  No H/Q in entry =        1054
  Start of MODEL   14
    1    H    MET   1           H        MET   1   5.239 -19.382  -9.520
    2    HA   MET   1           HA       MET   1   3.899 -17.048  -8.858
    3   1HB   MET   1          2HB       MET   1   5.633 -16.658 -11.329
    4   2HB   MET   1          3HB       MET   1   4.275 -15.602 -10.895
    5   1HG   MET   1          2HG       MET   1   6.667 -16.106  -9.089
    6   2HG   MET   1          3HG       MET   1   6.533 -14.753 -10.213
    7   1HE   MET   1          1HE       MET   1   7.184 -14.574  -7.090
    8   2HE   MET   1          2HE       MET   1   7.168 -13.177  -8.197
    9   3HE   MET   1          3HE       MET   1   6.261 -13.119  -6.670
   10    H    LYS  11           H        LYS  11   2.609 -19.058  -8.937
   11    HA   LYS  11           HA       LYS  11   1.768 -20.110 -11.526
   12   1HB   LYS  11          2HB       LYS  11   1.915 -21.496  -9.479
   13   2HB   LYS  11          3HB       LYS  11   0.643 -20.514  -8.726
   14   1HG   LYS  11          2HG       LYS  11  -0.896 -21.143 -10.624
   15   2HG   LYS  11          3HG       LYS  11   0.346 -22.261 -11.203
   16   1HD   LYS  11          2HD       LYS  11  -1.110 -22.290  -8.514
   17   2HD   LYS  11          3HD       LYS  11  -1.348 -23.424  -9.847
   18   1HE   LYS  11          2HE       LYS  11   1.139 -23.146  -8.093
   19   2HE   LYS  11          3HE       LYS  11  -0.020 -24.476  -8.104
   20   1HZ   LYS  11          2HZ       LYS  11   0.638 -24.963 -10.352
   21   2HZ   LYS  11          3HZ       LYS  11   1.741 -23.737 -10.331
   22   3HZ   LYS  11          1HZ       LYS  11   1.928 -25.031  -9.329
   23    H    ARG  12           H        ARG  12   0.495 -18.809 -12.780
   24    HA   ARG  12           HA       ARG  12  -0.885 -16.553 -11.823
   25   1HB   ARG  12          2HB       ARG  12  -1.047 -18.152 -14.375
   26   2HB   ARG  12          3HB       ARG  12  -2.246 -16.915 -14.027
   27   1HG   ARG  12          2HG       ARG  12  -0.479 -16.015 -15.419
   28   2HG   ARG  12          3HG       ARG  12  -0.607 -15.171 -13.873
   29   1HD   ARG  12          2HD       ARG  12   1.325 -16.455 -13.011
   30   2HD   ARG  12          3HD       ARG  12   1.446 -17.302 -14.572
   31    HE   ARG  12           HE       ARG  12   1.517 -14.600 -15.196
   32   1HH1  ARG  12          1HH2      ARG  12   3.475 -16.752 -13.122
   33   2HH1  ARG  12          2HH2      ARG  12   4.950 -15.893 -13.445
   34   1HH2  ARG  12          2HH1      ARG  12   3.446 -13.442 -15.512
   35   2HH2  ARG  12          1HH1      ARG  12   4.933 -13.962 -14.770
   36    H    TYR  13           H        TYR  13  -2.648 -16.409 -10.581
   37    HA   TYR  13           HA       TYR  13  -4.434 -18.718 -10.157
   38   1HB   TYR  13          2HB       TYR  13  -4.660 -15.834  -9.164
   39   2HB   TYR  13          3HB       TYR  13  -5.684 -17.183  -8.717
   40    HD1  TYR  13           HD1      TYR  13  -2.093 -16.032  -8.589
   41    HD2  TYR  13           HD2      TYR  13  -5.172 -18.510  -6.850
   42    HE1  TYR  13           HE1      TYR  13  -0.562 -16.650  -6.762
   43    HE2  TYR  13           HE2      TYR  13  -3.654 -19.055  -4.969
   44    HH   TYR  13           HH       TYR  13  -0.282 -18.011  -4.858
   45    H    ILE  14           H        ILE  14  -6.430 -18.906 -11.205
   46    HA   ILE  14           HA       ILE  14  -6.938 -16.998 -13.424
   47    HB   ILE  14           HB       ILE  14  -7.775 -19.903 -13.178
   48   1HG1  ILE  14          2HG1      ILE  14  -5.371 -18.508 -14.396
   49   2HG1  ILE  14          3HG1      ILE  14  -5.398 -19.902 -13.308
   50   1HG2  ILE  14          2HG2      ILE  14  -9.229 -18.501 -14.663
   51   2HG2  ILE  14          3HG2      ILE  14  -7.773 -17.985 -15.548
   52   3HG2  ILE  14          1HG2      ILE  14  -8.305 -19.682 -15.568
   53   1HD1  ILE  14          3HD1      ILE  14  -6.417 -21.235 -15.207
   54   2HD1  ILE  14          1HD1      ILE  14  -6.107 -19.814 -16.253
   55   3HD1  ILE  14          2HD1      ILE  14  -4.759 -20.651 -15.476
   56    H    CYS  15           H        CYS  15  -8.924 -16.184 -13.800
   57    HA   CYS  15           HA       CYS  15 -10.611 -15.617 -11.571
   58   1HB   CYS  15          2HB       CYS  15 -10.271 -14.069 -13.335
   59   2HB   CYS  15          3HB       CYS  15 -10.847 -15.211 -14.557
   60    H    SER  16           H        SER  16 -12.054 -16.881 -10.609
   61    HA   SER  16           HA       SER  16 -12.863 -19.363 -11.161
   62   1HB   SER  16          2HB       SER  16 -14.784 -17.340  -9.966
   63   2HB   SER  16          3HB       SER  16 -14.411 -18.992  -9.433
   64    HG   SER  16           HG       SER  16 -13.368 -17.441  -8.100
   65    H    PHE  17           H        PHE  17 -14.383 -16.391 -12.370
   66    HA   PHE  17           HA       PHE  17 -16.611 -17.708 -13.699
   67   1HB   PHE  17          2HB       PHE  17 -15.507 -14.897 -14.010
   68   2HB   PHE  17          3HB       PHE  17 -17.063 -15.477 -14.574
   69    HD1  PHE  17           HD1      PHE  17 -18.880 -16.038 -12.950
   70    HD2  PHE  17           HD2      PHE  17 -15.131 -14.353 -11.634
   71    HE1  PHE  17           HE1      PHE  17 -19.857 -15.591 -10.717
   72    HE2  PHE  17           HE2      PHE  17 -16.089 -14.008  -9.376
   73    HZ   PHE  17           HZ       PHE  17 -18.460 -14.595  -8.921
   74    H    ALA  18           H        ALA  18 -14.912 -19.239 -14.590
   75    HA   ALA  18           HA       ALA  18 -12.970 -19.312 -16.191
   76   1HB   ALA  18          3HB       ALA  18 -14.439 -21.226 -15.858
   77   2HB   ALA  18          1HB       ALA  18 -15.614 -20.576 -17.020
   78   3HB   ALA  18          2HB       ALA  18 -14.002 -21.082 -17.571
   79    H    ASP  19           H        ASP  19 -16.034 -18.500 -17.865
   80    HA   ASP  19           HA       ASP  19 -15.201 -18.008 -20.408
   81   1HB   ASP  19          2HB       ASP  19 -17.212 -16.339 -18.834
   82   2HB   ASP  19          3HB       ASP  19 -17.108 -16.457 -20.596
   83    H    CYS  20           H        CYS  20 -14.829 -15.770 -17.675
   84    HA   CYS  20           HA       CYS  20 -14.099 -13.415 -19.011
   85   1HB   CYS  20          2HB       CYS  20 -14.671 -13.704 -16.598
   86   2HB   CYS  20          3HB       CYS  20 -13.113 -14.510 -16.362
   87    H    GLY  21           H        GLY  21 -12.161 -16.304 -18.227
   88   1HA   GLY  21          2HA       GLY  21 -10.051 -16.944 -18.755
   89   2HA   GLY  21          3HA       GLY  21 -10.220 -15.920 -20.187
   90    H    ALA  22           H        ALA  22 -10.275 -14.566 -16.910
   91    HA   ALA  22           HA       ALA  22  -7.799 -13.043 -17.493
   92   1HB   ALA  22          3HB       ALA  22  -9.834 -12.795 -15.244
   93   2HB   ALA  22          1HB       ALA  22  -8.440 -11.731 -15.518
   94   3HB   ALA  22          2HB       ALA  22  -9.752 -11.795 -16.712
   95    H    ALA  23           H        ALA  23  -5.902 -13.269 -16.218
   96    HA   ALA  23           HA       ALA  23  -5.923 -15.057 -13.935
   97   1HB   ALA  23          2HB       ALA  23  -5.666 -16.601 -15.892
   98   2HB   ALA  23          3HB       ALA  23  -4.243 -15.669 -16.416
   99   3HB   ALA  23          1HB       ALA  23  -4.204 -16.553 -14.881
  100    H    TYR  24           H        TYR  24  -4.062 -14.651 -12.566
  101    HA   TYR  24           HA       TYR  24  -2.028 -12.764 -13.570
  102   1HB   TYR  24          2HB       TYR  24  -3.620 -12.064 -11.084
  103   2HB   TYR  24          3HB       TYR  24  -2.352 -11.121 -11.855
  104    HD1  TYR  24           HD1      TYR  24  -5.843 -12.255 -12.081
  105    HD2  TYR  24           HD2      TYR  24  -2.875  -9.676 -13.809
  106    HE1  TYR  24           HE1      TYR  24  -7.627 -11.012 -13.257
  107    HE2  TYR  24           HE2      TYR  24  -4.660  -8.342 -14.890
  108    HH   TYR  24           HH       TYR  24  -6.935  -7.867 -14.806
  109    H    ASN  25           H        ASN  25  -0.175 -12.637 -12.327
  110    HA   ASN  25           HA       ASN  25   0.734 -15.016 -11.243
  111   1HB   ASN  25          2HB       ASN  25   2.736 -13.903 -10.687
  112   2HB   ASN  25          3HB       ASN  25   2.158 -13.227 -12.212
  113   1HD2  ASN  25          1HD2      ASN  25   3.278 -10.601  -9.540
  114   2HD2  ASN  25          2HD2      ASN  25   3.976 -12.167  -9.933
  115    H    LYS  26           H        LYS  26  -0.230 -12.107  -9.359
  116    HA   LYS  26           HA       LYS  26   0.198 -13.656  -6.874
  117   1HB   LYS  26          2HB       LYS  26  -0.357 -10.734  -7.432
  118   2HB   LYS  26          3HB       LYS  26  -0.306 -11.429  -5.807
  119   1HG   LYS  26          2HG       LYS  26   1.999 -11.618  -7.775
  120   2HG   LYS  26          3HG       LYS  26   1.833 -10.359  -6.570
  121   1HD   LYS  26          2HD       LYS  26   1.686 -12.314  -4.826
  122   2HD   LYS  26          3HD       LYS  26   2.307 -13.336  -6.146
  123   1HE   LYS  26          2HE       LYS  26   4.215 -11.691  -6.404
  124   2HE   LYS  26          3HE       LYS  26   3.593 -10.849  -4.970
  125   1HZ   LYS  26          3HZ       LYS  26   3.916 -12.859  -3.716
  126   2HZ   LYS  26          1HZ       LYS  26   4.522 -13.627  -5.053
  127   3HZ   LYS  26          2HZ       LYS  26   5.323 -12.356  -4.382
  128    H    ASN  27           H        ASN  27  -1.213 -14.126  -5.363
  129    HA   ASN  27           HA       ASN  27  -3.919 -14.657  -5.959
  130   1HB   ASN  27          2HB       ASN  27  -2.620 -15.709  -4.085
  131   2HB   ASN  27          3HB       ASN  27  -2.633 -14.157  -3.237
  132   1HD2  ASN  27          1HD2      ASN  27  -5.973 -16.505  -3.206
  133   2HD2  ASN  27          2HD2      ASN  27  -4.554 -16.976  -4.127
  134    H    TRP  28           H        TRP  28  -2.433 -11.883  -4.150
  135    HA   TRP  28           HA       TRP  28  -4.823 -10.556  -3.515
  136   1HB   TRP  28          2HB       TRP  28  -3.563  -8.587  -3.202
  137   2HB   TRP  28          3HB       TRP  28  -2.653  -9.950  -2.593
  138    HD1  TRP  28           HD1      TRP  28  -0.253 -10.185  -3.352
  139    HE1  TRP  28           HE1      TRP  28   1.334  -8.983  -4.989
  140    HE3  TRP  28           HE3      TRP  28  -3.640  -7.155  -5.781
  141    HZ2  TRP  28           HZ2      TRP  28   1.127  -7.149  -7.159
  142    HZ3  TRP  28           HZ3      TRP  28  -2.880  -5.678  -7.622
  143    HH2  TRP  28           HH2      TRP  28  -0.518  -5.666  -8.306
  144    H    LYS  29           H        LYS  29  -2.938 -10.447  -6.567
  145    HA   LYS  29           HA       LYS  29  -4.454  -8.312  -7.673
  146   1HB   LYS  29          2HB       LYS  29  -2.184  -8.850  -8.453
  147   2HB   LYS  29          3HB       LYS  29  -2.714 -10.455  -8.967
  148   1HG   LYS  29          2HG       LYS  29  -2.530  -9.025 -10.886
  149   2HG   LYS  29          3HG       LYS  29  -4.218  -9.470 -10.621
  150   1HD   LYS  29          2HD       LYS  29  -4.431  -7.124  -9.429
  151   2HD   LYS  29          3HD       LYS  29  -2.830  -6.815 -10.115
  152   1HE   LYS  29          2HE       LYS  29  -4.465  -5.947 -11.631
  153   2HE   LYS  29          3HE       LYS  29  -3.851  -7.421 -12.389
  154   1HZ   LYS  29          3HZ       LYS  29  -6.344  -7.172 -10.833
  155   2HZ   LYS  29          1HZ       LYS  29  -6.243  -7.217 -12.480
  156   3HZ   LYS  29          2HZ       LYS  29  -5.818  -8.537 -11.587
  157    H    LEU  30           H        LEU  30  -4.648 -11.869  -8.049
  158    HA   LEU  30           HA       LEU  30  -6.879 -11.731  -9.837
  159   1HB   LEU  30          2HB       LEU  30  -5.448 -13.574  -9.810
  160   2HB   LEU  30          3HB       LEU  30  -5.768 -13.952  -8.106
  161    HG   LEU  30           HG       LEU  30  -6.736 -15.384 -10.013
  162   1HD1  LEU  30          1HD1      LEU  30  -7.332 -15.682  -7.749
  163   2HD1  LEU  30          2HD1      LEU  30  -8.613 -14.440  -7.847
  164   3HD1  LEU  30          3HD1      LEU  30  -8.740 -15.939  -8.803
  165   1HD2  LEU  30          2HD2      LEU  30  -7.447 -13.521 -11.391
  166   2HD2  LEU  30          3HD2      LEU  30  -8.686 -14.741 -11.133
  167   3HD2  LEU  30          1HD2      LEU  30  -8.801 -13.193 -10.285
  168    H    GLN  31           H        GLN  31  -6.698 -12.046  -6.279
  169    HA   GLN  31           HA       GLN  31  -9.504 -12.181  -5.766
  170   1HB   GLN  31          2HB       GLN  31  -7.047 -11.443  -4.220
  171   2HB   GLN  31          3HB       GLN  31  -8.556 -10.843  -3.594
  172   1HG   GLN  31          2HG       GLN  31  -7.726 -13.114  -2.709
  173   2HG   GLN  31          3HG       GLN  31  -9.425 -12.936  -3.147
  174   1HE2  GLN  31          1HE2      GLN  31  -7.134 -15.251  -5.689
  175   2HE2  GLN  31          2HE2      GLN  31  -6.416 -13.814  -4.966
  176    H    ALA  32           H        ALA  32  -7.345  -9.306  -6.134
  177    HA   ALA  32           HA       ALA  32  -9.442  -7.390  -5.793
  178   1HB   ALA  32          2HB       ALA  32  -7.011  -6.789  -5.832
  179   2HB   ALA  32          3HB       ALA  32  -6.921  -7.229  -7.545
  180   3HB   ALA  32          1HB       ALA  32  -7.921  -5.859  -7.042
  181    H    HIS  33           H        HIS  33  -8.197  -8.962  -8.820
  182    HA   HIS  33           HA       HIS  33  -9.964  -7.726 -10.603
  183   1HB   HIS  33          2HB       HIS  33  -8.198  -9.171 -11.411
  184   2HB   HIS  33          3HB       HIS  33  -8.914 -10.571 -10.625
  185    HD1  HIS  33           HD1      HIS  33  -9.057  -8.781 -13.894
  186    HD2  HIS  33           HD2      HIS  33 -11.330 -11.493 -11.612
  187    HE1  HIS  33           HE1      HIS  33 -10.857  -9.721 -15.437
  188    H    LEU  34           H        LEU  34 -10.547 -10.697  -8.652
  189    HA   LEU  34           HA       LEU  34 -13.147 -11.200  -9.602
  190   1HB   LEU  34          2HB       LEU  34 -11.936 -11.776  -6.890
  191   2HB   LEU  34          3HB       LEU  34 -13.510 -12.381  -7.401
  192    HG   LEU  34           HG       LEU  34 -10.930 -13.001  -8.877
  193   1HD1  LEU  34          1HD1      LEU  34 -10.917 -13.953  -6.598
  194   2HD1  LEU  34          2HD1      LEU  34 -12.514 -14.674  -6.882
  195   3HD1  LEU  34          3HD1      LEU  34 -11.108 -15.227  -7.813
  196   1HD2  LEU  34          1HD2      LEU  34 -13.728 -14.186  -9.088
  197   2HD2  LEU  34          2HD2      LEU  34 -12.893 -13.241 -10.343
  198   3HD2  LEU  34          3HD2      LEU  34 -12.281 -14.828  -9.883
  199    H    SER  35           H        SER  35 -12.181  -8.538  -7.521
  200    HA   SER  35           HA       SER  35 -14.650  -8.086  -6.231
  201   1HB   SER  35          2HB       SER  35 -13.994  -5.860  -5.883
  202   2HB   SER  35          3HB       SER  35 -12.504  -6.816  -5.766
  203    HG   SER  35           HG       SER  35 -11.969  -6.098  -7.840
  204    H    LYS  36           H        LYS  36 -13.670  -7.537  -9.609
  205    HA   LYS  36           HA       LYS  36 -15.689  -5.788 -10.496
  206   1HB   LYS  36          2HB       LYS  36 -14.455  -8.215 -11.879
  207   2HB   LYS  36          3HB       LYS  36 -15.444  -6.994 -12.687
  208   1HG   LYS  36          2HG       LYS  36 -13.804  -5.254 -12.197
  209   2HG   LYS  36          3HG       LYS  36 -12.811  -6.412 -11.288
  210   1HD   LYS  36          2HD       LYS  36 -12.564  -7.817 -13.329
  211   2HD   LYS  36          3HD       LYS  36 -13.574  -6.682 -14.238
  212   1HE   LYS  36          2HE       LYS  36 -11.229  -6.272 -14.748
  213   2HE   LYS  36          3HE       LYS  36 -11.895  -4.881 -13.871
  214   1HZ   LYS  36          2HZ       LYS  36 -10.334  -7.048 -12.647
  215   2HZ   LYS  36          3HZ       LYS  36  -9.734  -5.573 -13.079
  216   3HZ   LYS  36          1HZ       LYS  36 -10.880  -5.681 -11.901
  217    H    HIS  37           H        HIS  37 -15.751  -9.331 -10.126
  218    HA   HIS  37           HA       HIS  37 -18.518  -9.515 -11.131
  219   1HB   HIS  37          2HB       HIS  37 -16.622 -11.636 -10.107
  220   2HB   HIS  37          3HB       HIS  37 -18.131 -11.907 -10.983
  221    HD1  HIS  37           HD1      HIS  37 -18.058 -11.077 -13.658
  222    HD2  HIS  37           HD2      HIS  37 -14.469 -11.591 -11.533
  223    HE1  HIS  37           HE1      HIS  37 -16.225 -11.506 -15.393
  224    H    THR  38           H        THR  38 -16.702 -10.204  -8.133
  225    HA   THR  38           HA       THR  38 -19.092 -11.136  -6.734
  226    HB   THR  38           HB       THR  38 -17.560 -11.507  -4.889
  227    HG1  THR  38          1HG       THR  38 -15.558 -10.322  -6.521
  228   1HG2  THR  38          2HG2      THR  38 -17.582 -13.180  -6.715
  229   2HG2  THR  38          3HG2      THR  38 -16.236 -12.339  -7.511
  230   3HG2  THR  38          1HG2      THR  38 -16.001 -13.072  -5.915
  231    H    GLY  39           H        GLY  39 -17.327  -8.051  -6.915
  232   1HA   GLY  39          2HA       GLY  39 -17.803  -6.034  -5.932
  233   2HA   GLY  39          3HA       GLY  39 -19.257  -6.720  -5.191
  234    H    GLU  40           H        GLU  40 -16.459  -8.691  -4.592
  235    HA   GLU  40           HA       GLU  40 -16.542  -7.994  -1.774
  236   1HB   GLU  40          2HB       GLU  40 -14.877  -9.896  -3.468
  237   2HB   GLU  40          3HB       GLU  40 -14.589  -9.715  -1.751
  238   1HG   GLU  40          2HG       GLU  40 -17.329 -10.454  -2.873
  239   2HG   GLU  40          3HG       GLU  40 -16.126 -11.645  -2.348
  240    H    LYS  41           H        LYS  41 -14.757  -7.451  -0.503
  241    HA   LYS  41           HA       LYS  41 -12.445  -6.098  -1.803
  242   1HB   LYS  41          2HB       LYS  41 -13.921  -4.848   0.535
  243   2HB   LYS  41          3HB       LYS  41 -12.634  -4.197  -0.493
  244   1HG   LYS  41          2HG       LYS  41 -14.384  -4.513  -2.451
  245   2HG   LYS  41          3HG       LYS  41 -15.563  -4.737  -1.146
  246   1HD   LYS  41          2HD       LYS  41 -15.768  -2.466  -1.504
  247   2HD   LYS  41          3HD       LYS  41 -14.514  -2.483  -0.243
  248   1HE   LYS  41          2HE       LYS  41 -12.790  -2.492  -2.135
  249   2HE   LYS  41          3HE       LYS  41 -14.117  -2.249  -3.277
  250   1HZ   LYS  41          3HZ       LYS  41 -14.635  -0.207  -2.088
  251   2HZ   LYS  41          1HZ       LYS  41 -13.380  -0.492  -1.043
  252   3HZ   LYS  41          2HZ       LYS  41 -13.069  -0.206  -2.629
  253    HA   PRO  42           HA       PRO  42 -11.651  -9.692   1.013
  254   1HB   PRO  42          2HB       PRO  42  -9.107  -9.339  -0.586
  255   2HB   PRO  42          3HB       PRO  42  -9.825 -10.867   0.011
  256   1HG   PRO  42          2HG       PRO  42 -10.280 -10.052  -2.544
  257   2HG   PRO  42          3HG       PRO  42 -11.666 -10.632  -1.562
  258   1HD   PRO  42          2HD       PRO  42 -10.767  -7.830  -2.177
  259   2HD   PRO  42          3HD       PRO  42 -12.400  -8.531  -2.207
  260    H    PHE  43           H        PHE  43  -9.745  -6.689   0.873
  261    HA   PHE  43           HA       PHE  43  -8.291  -7.504   3.374
  262   1HB   PHE  43          2HB       PHE  43  -7.525  -5.593   1.172
  263   2HB   PHE  43          3HB       PHE  43  -6.650  -5.833   2.669
  264    HD1  PHE  43           HD1      PHE  43  -5.464  -7.966   3.141
  265    HD2  PHE  43           HD2      PHE  43  -7.577  -7.390  -0.570
  266    HE1  PHE  43           HE1      PHE  43  -4.422 -10.012   2.218
  267    HE2  PHE  43           HE2      PHE  43  -6.495  -9.399  -1.506
  268    HZ   PHE  43           HZ       PHE  43  -4.916 -10.727  -0.112
  269    HA   PRO  44           HA       PRO  44 -11.104  -4.076   4.634
  270   1HB   PRO  44          2HB       PRO  44 -11.938  -4.996   7.041
  271   2HB   PRO  44          3HB       PRO  44 -12.614  -5.609   5.506
  272   1HG   PRO  44          2HG       PRO  44 -10.396  -6.860   7.158
  273   2HG   PRO  44          3HG       PRO  44 -11.869  -7.656   6.530
  274   1HD   PRO  44          2HD       PRO  44  -9.485  -7.787   5.222
  275   2HD   PRO  44          3HD       PRO  44 -11.026  -7.656   4.322
  276    H    CYS  45           H        CYS  45 -10.544  -2.315   5.915
  277    HA   CYS  45           HA       CYS  45  -7.922  -2.403   7.350
  278   1HB   CYS  45          2HB       CYS  45  -8.351  -0.623   5.681
  279   2HB   CYS  45          3HB       CYS  45  -9.790  -0.151   6.591
  280    H    LYS  46           H        LYS  46  -8.594  -3.587   9.243
  281    HA   LYS  46           HA       LYS  46 -11.056  -2.885  10.617
  282   1HB   LYS  46          2HB       LYS  46  -8.747  -4.630  11.481
  283   2HB   LYS  46          3HB       LYS  46 -10.309  -4.535  12.288
  284   1HG   LYS  46          2HG       LYS  46  -9.790  -5.506   9.443
  285   2HG   LYS  46          3HG       LYS  46 -10.180  -6.506  10.835
  286   1HD   LYS  46          2HD       LYS  46 -12.006  -4.511   9.417
  287   2HD   LYS  46          3HD       LYS  46 -12.139  -6.265   9.426
  288   1HE   LYS  46          2HE       LYS  46 -12.571  -4.416  11.819
  289   2HE   LYS  46          3HE       LYS  46 -13.806  -5.284  10.910
  290   1HZ   LYS  46          3HZ       LYS  46 -12.807  -7.339  11.621
  291   2HZ   LYS  46          1HZ       LYS  46 -11.667  -6.523  12.489
  292   3HZ   LYS  46          2HZ       LYS  46 -13.255  -6.418  12.913
  293    H    GLU  47           H        GLU  47  -9.942  -0.518  10.397
  294    HA   GLU  47           HA       GLU  47  -8.646   0.203  12.967
  295   1HB   GLU  47          2HB       GLU  47  -8.945   1.474  10.243
  296   2HB   GLU  47          3HB       GLU  47  -8.776   2.542  11.635
  297   1HG   GLU  47          2HG       GLU  47  -6.839   0.239  11.313
  298   2HG   GLU  47          3HG       GLU  47  -6.627   1.718  10.373
  299    H    GLU  48           H        GLU  48  -9.493   2.035  14.114
  300    HA   GLU  48           HA       GLU  48 -12.342   1.799  14.597
  301   1HB   GLU  48          2HB       GLU  48 -10.323   3.881  15.550
  302   2HB   GLU  48          3HB       GLU  48 -11.976   3.692  16.152
  303   1HG   GLU  48          2HG       GLU  48 -11.438   1.359  16.876
  304   2HG   GLU  48          3HG       GLU  48  -9.763   1.591  16.352
  305    H    GLY  49           H        GLY  49 -13.928   2.787  13.411
  306   1HA   GLY  49          2HA       GLY  49 -15.043   4.408  12.218
  307   2HA   GLY  49          3HA       GLY  49 -13.664   5.499  12.391
  308    H    CYS  50           H        CYS  50 -11.615   4.243  11.161
  309    HA   CYS  50           HA       CYS  50 -12.244   4.512   8.329
  310   1HB   CYS  50          2HB       CYS  50 -10.211   5.391   9.387
  311   2HB   CYS  50          3HB       CYS  50  -9.708   3.762   9.825
  312    H    GLU  51           H        GLU  51 -13.876   2.510   8.960
  313    HA   GLU  51           HA       GLU  51 -12.621  -0.105   8.619
  314   1HB   GLU  51          2HB       GLU  51 -14.618   0.360  10.070
  315   2HB   GLU  51          3HB       GLU  51 -15.570   0.569   8.585
  316   1HG   GLU  51          2HG       GLU  51 -15.023  -1.738   7.906
  317   2HG   GLU  51          3HG       GLU  51 -13.904  -1.898   9.272
  318    H    LYS  52           H        LYS  52 -11.543   0.892   6.673
  319    HA   LYS  52           HA       LYS  52 -13.076   1.141   4.205
  320   1HB   LYS  52          2HB       LYS  52 -10.142   0.541   4.570
  321   2HB   LYS  52          3HB       LYS  52 -10.864   1.175   3.106
  322   1HG   LYS  52          2HG       LYS  52 -10.789   2.682   5.753
  323   2HG   LYS  52          3HG       LYS  52  -9.547   2.814   4.507
  324   1HD   LYS  52          2HD       LYS  52 -11.265   3.580   2.872
  325   2HD   LYS  52          3HD       LYS  52 -12.518   3.464   4.127
  326   1HE   LYS  52          2HE       LYS  52 -11.363   5.161   5.485
  327   2HE   LYS  52          3HE       LYS  52 -10.038   5.237   4.299
  328   1HZ   LYS  52          3HZ       LYS  52 -12.834   5.951   3.770
  329   2HZ   LYS  52          1HZ       LYS  52 -11.592   7.008   4.005
  330   3HZ   LYS  52          2HZ       LYS  52 -11.593   6.021   2.685
  331    H    GLY  53           H        GLY  53 -12.651  -0.278   2.325
  332   1HA   GLY  53          2HA       GLY  53 -12.182  -3.172   2.939
  333   2HA   GLY  53          3HA       GLY  53 -13.507  -2.599   1.919
  334    H    PHE  54           H        PHE  54 -10.132  -3.390   1.999
  335    HA   PHE  54           HA       PHE  54  -9.621  -2.003  -0.580
  336   1HB   PHE  54          2HB       PHE  54  -7.734  -3.180   1.453
  337   2HB   PHE  54          3HB       PHE  54  -7.266  -2.669  -0.150
  338    HD1  PHE  54           HD1      PHE  54  -7.596  -0.285  -0.894
  339    HD2  PHE  54           HD2      PHE  54  -8.386  -1.501   3.155
  340    HE1  PHE  54           HE1      PHE  54  -7.423   2.071  -0.157
  341    HE2  PHE  54           HE2      PHE  54  -8.107   0.858   3.895
  342    HZ   PHE  54           HZ       PHE  54  -7.872   2.648   2.223
  343    H    THR  55           H        THR  55  -8.948  -3.139  -2.417
  344    HA   THR  55           HA       THR  55  -9.878  -5.902  -2.586
  345    HB   THR  55           HB       THR  55  -9.147  -5.277  -5.061
  346    HG1  THR  55          1HG       THR  55  -9.428  -2.852  -5.119
  347   1HG2  THR  55          2HG2      THR  55 -11.469  -5.550  -4.195
  348   2HG2  THR  55          1HG2      THR  55 -11.449  -3.867  -3.638
  349   3HG2  THR  55          3HG2      THR  55 -11.348  -4.238  -5.375
  350    H    SER  56           H        SER  56  -6.757  -4.407  -2.041
  351    HA   SER  56           HA       SER  56  -5.614  -7.107  -2.392
  352   1HB   SER  56          2HB       SER  56  -3.806  -6.445  -3.679
  353   2HB   SER  56          3HB       SER  56  -5.230  -5.799  -4.523
  354    HG   SER  56           HG       SER  56  -4.396  -3.861  -4.198
  355    H    LEU  57           H        LEU  57  -3.707  -7.489  -1.289
  356    HA   LEU  57           HA       LEU  57  -3.465  -6.298   1.255
  357   1HB   LEU  57          2HB       LEU  57  -2.691  -8.583   0.668
  358   2HB   LEU  57          3HB       LEU  57  -1.452  -7.906  -0.387
  359    HG   LEU  57           HG       LEU  57  -0.281  -6.946   1.524
  360   1HD1  LEU  57          1HD1      LEU  57  -2.574  -8.058   3.209
  361   2HD1  LEU  57          2HD1      LEU  57  -1.024  -7.489   3.862
  362   3HD1  LEU  57          3HD1      LEU  57  -2.101  -6.349   3.055
  363   1HD2  LEU  57          3HD2      LEU  57   0.104  -9.312   0.876
  364   2HD2  LEU  57          2HD2      LEU  57   0.378  -9.047   2.610
  365   3HD2  LEU  57          1HD2      LEU  57  -1.114  -9.832   2.053
  366    H    HIS  58           H        HIS  58  -1.802  -5.709  -1.884
  367    HA   HIS  58           HA       HIS  58   0.084  -3.887  -0.763
  368   1HB   HIS  58          2HB       HIS  58   0.963  -3.658  -2.738
  369   2HB   HIS  58          3HB       HIS  58   0.054  -5.086  -3.142
  370    HD1  HIS  58           HD1      HIS  58  -1.597  -4.684  -5.249
  371    HD2  HIS  58           HD2      HIS  58   0.049  -1.225  -3.504
  372    HE1  HIS  58           HE1      HIS  58  -2.105  -2.752  -6.829
  373    H    HIS  59           H        HIS  59  -3.191  -3.395  -2.218
  374    HA   HIS  59           HA       HIS  59  -3.213  -0.561  -2.054
  375   1HB   HIS  59          2HB       HIS  59  -5.528  -2.482  -1.607
  376   2HB   HIS  59          3HB       HIS  59  -5.645  -0.731  -1.821
  377    HD1  HIS  59           HD1      HIS  59  -7.177  -2.658  -3.867
  378    HD2  HIS  59           HD2      HIS  59  -3.352  -0.912  -4.336
  379    HE1  HIS  59           HE1      HIS  59  -6.664  -2.655  -6.355
  380    HE2  HIS  59           HE2      HIS  59  -4.400  -1.533  -6.661
  381    H    LEU  60           H        LEU  60  -4.051  -3.060   0.385
  382    HA   LEU  60           HA       LEU  60  -4.718  -1.242   2.451
  383   1HB   LEU  60          2HB       LEU  60  -5.107  -3.785   2.324
  384   2HB   LEU  60          3HB       LEU  60  -3.430  -3.970   2.837
  385    HG   LEU  60           HG       LEU  60  -4.020  -2.546   4.891
  386   1HD1  LEU  60          2HD1      LEU  60  -6.823  -3.071   3.788
  387   2HD1  LEU  60          3HD1      LEU  60  -6.492  -2.598   5.467
  388   3HD1  LEU  60          1HD1      LEU  60  -6.093  -1.491   4.153
  389   1HD2  LEU  60          1HD2      LEU  60  -3.774  -5.010   4.958
  390   2HD2  LEU  60          3HD2      LEU  60  -5.030  -4.438   6.071
  391   3HD2  LEU  60          2HD2      LEU  60  -5.490  -5.189   4.532
  392    H    THR  61           H        THR  61  -1.601  -2.750   1.582
  393    HA   THR  61           HA       THR  61  -0.039  -1.765   3.712
  394    HB   THR  61           HB       THR  61   0.882  -2.314   0.871
  395    HG1  THR  61          1HG       THR  61  -0.235  -4.078   1.920
  396   1HG2  THR  61          3HG2      THR  61   2.385  -2.355   3.520
  397   2HG2  THR  61          1HG2      THR  61   3.029  -2.873   1.952
  398   3HG2  THR  61          2HG2      THR  61   2.616  -1.169   2.213
  399    H    ARG  62           H        ARG  62  -0.428  -0.339   0.383
  400    HA   ARG  62           HA       ARG  62   1.064   1.993   1.096
  401   1HB   ARG  62          2HB       ARG  62   0.390   2.986  -0.942
  402   2HB   ARG  62          3HB       ARG  62   0.740   1.272  -1.236
  403   1HG   ARG  62          2HG       ARG  62  -1.697   0.801  -1.098
  404   2HG   ARG  62          3HG       ARG  62  -2.022   2.534  -0.899
  405   1HD   ARG  62          2HD       ARG  62  -0.981   2.945  -3.129
  406   2HD   ARG  62          3HD       ARG  62  -0.808   1.184  -3.326
  407    HE   ARG  62           HE       ARG  62  -3.472   1.891  -2.522
  408   1HH1  ARG  62          2HH2      ARG  62  -1.402   1.830  -5.410
  409   2HH1  ARG  62          1HH2      ARG  62  -2.759   1.751  -6.507
  410   1HH2  ARG  62          1HH1      ARG  62  -5.170   1.708  -3.915
  411   2HH2  ARG  62          2HH1      ARG  62  -4.955   1.590  -5.635
  412    H    HIS  63           H        HIS  63  -2.469   1.238   1.301
  413    HA   HIS  63           HA       HIS  63  -3.326   3.841   2.003
  414   1HB   HIS  63          2HB       HIS  63  -4.966   2.150   1.560
  415   2HB   HIS  63          3HB       HIS  63  -4.358   1.116   2.857
  416    HD1  HIS  63           HD1      HIS  63  -5.708   4.769   2.750
  417    HD2  HIS  63           HD2      HIS  63  -5.756   1.240   5.044
  418    HE1  HIS  63           HE1      HIS  63  -7.028   5.285   4.878
  419    H    SER  64           H        SER  64  -1.867   1.244   3.999
  420    HA   SER  64           HA       SER  64  -2.179   2.506   6.495
  421   1HB   SER  64          2HB       SER  64   0.142   0.721   5.720
  422   2HB   SER  64          3HB       SER  64  -0.497   1.077   7.339
  423    HG   SER  64           HG       SER  64  -1.962  -0.208   5.254
  424    H    LEU  65           H        LEU  65  -0.102   3.547   3.864
  425    HA   LEU  65           HA       LEU  65   1.871   4.942   5.390
  426   1HB   LEU  65          2HB       LEU  65   0.638   5.727   2.737
  427   2HB   LEU  65          3HB       LEU  65   2.108   6.392   3.437
  428    HG   LEU  65           HG       LEU  65   1.806   3.473   2.651
  429   1HD1  LEU  65          1HD1      LEU  65   1.688   4.997   0.705
  430   2HD1  LEU  65          2HD1      LEU  65   3.175   5.793   1.261
  431   3HD1  LEU  65          3HD1      LEU  65   3.218   4.097   0.721
  432   1HD2  LEU  65          1HD2      LEU  65   4.264   5.095   3.415
  433   2HD2  LEU  65          2HD2      LEU  65   3.530   3.801   4.397
  434   3HD2  LEU  65          3HD2      LEU  65   4.261   3.420   2.836
  435    H    THR  66           H        THR  66  -1.545   5.632   4.610
  436    HA   THR  66           HA       THR  66  -1.443   8.392   5.415
  437    HB   THR  66           HB       THR  66  -3.818   8.382   5.315
  438    HG1  THR  66          1HG       THR  66  -3.705   5.556   5.098
  439   1HG2  THR  66          1HG2      THR  66  -2.533   8.274   3.147
  440   2HG2  THR  66          2HG2      THR  66  -2.842   6.532   3.085
  441   3HG2  THR  66          3HG2      THR  66  -4.199   7.668   3.033
  442    H    HIS  67           H        HIS  67  -1.968   5.357   7.184
  443    HA   HIS  67           HA       HIS  67  -2.816   6.696   9.650
  444   1HB   HIS  67          2HB       HIS  67  -1.973   3.841   8.985
  445   2HB   HIS  67          3HB       HIS  67  -2.331   4.384  10.622
  446    HD1  HIS  67           HD1      HIS  67  -4.899   5.314  11.047
  447    HD2  HIS  67           HD2      HIS  67  -4.087   3.138   7.535
  448    HE1  HIS  67           HE1      HIS  67  -7.157   4.611  10.087
  449    H    THR  68           H        THR  68   0.133   5.021   8.497
  450    HA   THR  68           HA       THR  68   1.673   5.632  10.857
  451    HB   THR  68           HB       THR  68   3.596   4.906   9.441
  452    HG1  THR  68          1HG       THR  68   1.615   4.437   7.458
  453   1HG2  THR  68          2HG2      THR  68   2.256   3.226  10.657
  454   2HG2  THR  68          3HG2      THR  68   1.148   3.085   9.275
  455   3HG2  THR  68          1HG2      THR  68   2.843   2.594   9.105
  456    H    GLY  69           H        GLY  69   1.022   7.399   7.869
  457   1HA   GLY  69          2HA       GLY  69   1.310   9.626   7.437
  458   2HA   GLY  69          3HA       GLY  69   2.234   9.838   8.933
  459    H    GLU  70           H        GLU  70   3.152   7.207   6.813
  460    HA   GLU  70           HA       GLU  70   5.768   8.434   6.398
  461   1HB   GLU  70          2HB       GLU  70   4.609   5.745   5.634
  462   2HB   GLU  70          3HB       GLU  70   6.300   6.176   5.394
  463   1HG   GLU  70          2HG       GLU  70   4.863   6.122   8.080
  464   2HG   GLU  70          3HG       GLU  70   5.920   4.849   7.462
  465    H    LYS  71           H        LYS  71   4.186  10.079   5.225
  466    HA   LYS  71           HA       LYS  71   3.770   9.711   2.345
  467   1HB   LYS  71          2HB       LYS  71   2.309  10.944   3.906
  468   2HB   LYS  71          3HB       LYS  71   3.630  12.050   4.284
  469   1HG   LYS  71          2HG       LYS  71   3.551  12.955   1.990
  470   2HG   LYS  71          3HG       LYS  71   2.278  11.788   1.569
  471   1HD   LYS  71          2HD       LYS  71   0.835  12.694   3.378
  472   2HD   LYS  71          3HD       LYS  71   2.090  13.859   3.821
  473   1HE   LYS  71          2HE       LYS  71   0.717  13.732   1.104
  474   2HE   LYS  71          3HE       LYS  71   0.231  14.805   2.426
  475   1HZ   LYS  71          2HZ       LYS  71   2.418  15.791   2.347
  476   2HZ   LYS  71          3HZ       LYS  71   2.828  14.852   1.049
  477   3HZ   LYS  71          1HZ       LYS  71   1.614  15.937   0.913
  478    H    ASN  72           H        ASN  72   6.239   8.999   2.446
  479    HA   ASN  72           HA       ASN  72   8.110  11.304   2.527
  480   1HB   ASN  72          2HB       ASN  72   8.646   8.324   2.361
  481   2HB   ASN  72          3HB       ASN  72   9.871   9.574   2.577
  482   1HD2  ASN  72          1HD2      ASN  72   7.962   8.132   5.820
  483   2HD2  ASN  72          2HD2      ASN  72   7.653   7.523   4.202
  484    H    PHE  73           H        PHE  73   6.440  10.021  -0.081
  485    HA   PHE  73           HA       PHE  73   8.776   9.724  -1.799
  486   1HB   PHE  73          2HB       PHE  73   5.842   9.882  -2.509
  487   2HB   PHE  73          3HB       PHE  73   7.167   9.495  -3.605
  488    HD1  PHE  73           HD2      PHE  73   8.839   7.611  -2.801
  489    HD2  PHE  73           HD1      PHE  73   4.914   8.143  -1.126
  490    HE1  PHE  73           HE2      PHE  73   8.997   5.396  -1.749
  491    HE2  PHE  73           HE1      PHE  73   5.029   5.885  -0.132
  492    HZ   PHE  73           HZ       PHE  73   7.090   4.516  -0.385
  493    H    THR  74           H        THR  74   9.845  11.495  -1.363
  494    HA   THR  74           HA       THR  74   8.977  14.191  -1.850
  495    HB   THR  74           HB       THR  74  11.744  13.050  -1.394
  496    HG1  THR  74          1HG       THR  74  10.231  12.465   0.254
  497   1HG2  THR  74          2HG2      THR  74  10.580  15.832  -0.931
  498   2HG2  THR  74          3HG2      THR  74  12.198  15.293  -0.435
  499   3HG2  THR  74          1HG2      THR  74  11.795  15.389  -2.156
  500    H    CYS  75           H        CYS  75   8.829  15.118  -3.806
  501    HA   CYS  75           HA       CYS  75   9.825  14.057  -6.265
  502   1HB   CYS  75          2HB       CYS  75   8.013  15.566  -6.351
  503   2HB   CYS  75          3HB       CYS  75   8.830  16.766  -5.337
  504    H    ASP  76           H        ASP  76  11.961  13.839  -6.732
  505    HA   ASP  76           HA       ASP  76  14.006  15.351  -5.342
  506   1HB   ASP  76          2HB       ASP  76  14.357  13.035  -5.973
  507   2HB   ASP  76          3HB       ASP  76  14.144  13.426  -7.693
  508    H    SER  77           H        SER  77  13.004  17.442  -5.952
  509    HA   SER  77           HA       SER  77  14.311  18.586  -8.360
  510   1HB   SER  77          2HB       SER  77  11.939  17.946  -8.931
  511   2HB   SER  77          3HB       SER  77  11.387  19.033  -7.634
  512    HG   SER  77           HG       SER  77  11.414  19.965  -9.756
  513    H    ASP  78           H        ASP  78  15.571  20.146  -7.485
  514    HA   ASP  78           HA       ASP  78  15.637  20.975  -4.864
  515   1HB   ASP  78          2HB       ASP  78  16.418  22.589  -7.332
  516   2HB   ASP  78          3HB       ASP  78  16.954  22.919  -5.680
  517    H    GLY  79           H        GLY  79  14.434  22.315  -3.579
  518   1HA   GLY  79          2HA       GLY  79  13.083  24.101  -2.982
  519   2HA   GLY  79          3HA       GLY  79  12.933  24.599  -4.675
  520    H    CYS  80           H        CYS  80  11.944  22.470  -5.963
  521    HA   CYS  80           HA       CYS  80   9.180  22.225  -5.016
  522   1HB   CYS  80          2HB       CYS  80   9.680  22.650  -7.337
  523   2HB   CYS  80          3HB       CYS  80  10.703  21.227  -7.449
  524    H    ASP  81           H        ASP  81  10.728  21.144  -3.063
  525    HA   ASP  81           HA       ASP  81  10.989  18.230  -3.425
  526   1HB   ASP  81          2HB       ASP  81  11.479  20.028  -1.039
  527   2HB   ASP  81          3HB       ASP  81  11.822  18.294  -1.110
  528    H    LEU  82           H        LEU  82   8.478  18.733  -4.024
  529    HA   LEU  82           HA       LEU  82   6.664  18.783  -1.763
  530   1HB   LEU  82          2HB       LEU  82   6.357  18.064  -4.691
  531   2HB   LEU  82          3HB       LEU  82   5.002  17.957  -3.554
  532    HG   LEU  82           HG       LEU  82   6.575  20.501  -4.134
  533   1HD1  LEU  82          2HD1      LEU  82   5.379  19.681  -6.131
  534   2HD1  LEU  82          3HD1      LEU  82   3.870  19.561  -5.196
  535   3HD1  LEU  82          1HD1      LEU  82   4.615  21.146  -5.496
  536   1HD2  LEU  82          3HD2      LEU  82   3.928  20.000  -2.676
  537   2HD2  LEU  82          1HD2      LEU  82   5.432  20.602  -1.940
  538   3HD2  LEU  82          2HD2      LEU  82   4.563  21.598  -3.106
  539    H    ARG  83           H        ARG  83   5.917  17.157  -0.539
  540    HA   ARG  83           HA       ARG  83   7.003  14.422  -0.928
  541   1HB   ARG  83          2HB       ARG  83   5.727  15.861   1.422
  542   2HB   ARG  83          3HB       ARG  83   6.277  14.183   1.447
  543   1HG   ARG  83          2HG       ARG  83   8.563  14.820   0.948
  544   2HG   ARG  83          3HG       ARG  83   8.118  16.520   0.784
  545   1HD   ARG  83          2HD       ARG  83   9.120  16.131   2.985
  546   2HD   ARG  83          3HD       ARG  83   7.433  16.639   3.105
  547    HE   ARG  83           HE       ARG  83   6.864  14.677   4.088
  548   1HH1  ARG  83          1HH1      ARG  83   9.918  14.046   2.391
  549   2HH1  ARG  83          2HH1      ARG  83  10.312  12.665   3.375
  550   1HH2  ARG  83          2HH2      ARG  83   7.323  12.826   5.268
  551   2HH2  ARG  83          1HH2      ARG  83   8.750  11.875   4.960
  552    H    PHE  84           H        PHE  84   5.719  12.837  -1.678
  553    HA   PHE  84           HA       PHE  84   2.766  13.299  -1.735
  554   1HB   PHE  84          2HB       PHE  84   4.523  11.738  -3.649
  555   2HB   PHE  84          3HB       PHE  84   2.774  11.845  -3.738
  556    HD1  PHE  84           HD2      PHE  84   5.935  13.798  -4.094
  557    HD2  PHE  84           HD1      PHE  84   1.658  13.790  -4.727
  558    HE1  PHE  84           HE2      PHE  84   6.097  15.935  -5.273
  559    HE2  PHE  84           HE1      PHE  84   1.877  15.888  -6.015
  560    HZ   PHE  84           HZ       PHE  84   4.041  17.087  -6.073
  561    H    THR  85           H        THR  85   1.398  11.416  -1.668
  562    HA   THR  85           HA       THR  85   1.994   9.669   0.525
  563    HB   THR  85           HB       THR  85  -0.260   8.694  -0.334
  564    HG1  THR  85          1HG       THR  85  -1.289  10.180  -1.798
  565   1HG2  THR  85          3HG2      THR  85  -0.042  10.401   1.497
  566   2HG2  THR  85          1HG2      THR  85  -0.189  11.683   0.272
  567   3HG2  THR  85          2HG2      THR  85  -1.527  10.548   0.554
  568    H    THR  86           H        THR  86   1.952   9.184  -3.043
  569    HA   THR  86           HA       THR  86   3.226   6.525  -2.556
  570    HB   THR  86           HB       THR  86   1.934   5.579  -4.379
  571    HG1  THR  86          1HG       THR  86   0.194   7.767  -4.398
  572   1HG2  THR  86          3HG2      THR  86   1.039   5.373  -2.054
  573   2HG2  THR  86          1HG2      THR  86   0.026   6.803  -2.337
  574   3HG2  THR  86          2HG2      THR  86  -0.221   5.336  -3.303
  575    H    LYS  87           H        LYS  87   4.519   5.754  -4.258
  576    HA   LYS  87           HA       LYS  87   6.186   7.689  -5.461
  577   1HB   LYS  87          2HB       LYS  87   5.721   4.749  -6.121
  578   2HB   LYS  87          3HB       LYS  87   6.994   5.748  -6.852
  579   1HG   LYS  87          2HG       LYS  87   7.987   6.238  -4.733
  580   2HG   LYS  87          3HG       LYS  87   6.716   5.377  -3.844
  581   1HD   LYS  87          2HD       LYS  87   8.515   4.050  -5.900
  582   2HD   LYS  87          3HD       LYS  87   8.985   4.175  -4.208
  583   1HE   LYS  87          2HE       LYS  87   6.366   2.864  -5.076
  584   2HE   LYS  87          3HE       LYS  87   7.888   1.998  -4.853
  585   1HZ   LYS  87          1HZ       LYS  87   7.945   2.716  -2.602
  586   2HZ   LYS  87          2HZ       LYS  87   6.542   3.564  -2.773
  587   3HZ   LYS  87          3HZ       LYS  87   6.533   1.920  -2.900
  588    H    ALA  88           H        ALA  88   3.363   5.847  -6.771
  589    HA   ALA  88           HA       ALA  88   3.708   6.856  -9.413
  590   1HB   ALA  88          3HB       ALA  88   2.415   4.911  -8.890
  591   2HB   ALA  88          1HB       ALA  88   1.138   5.905  -8.127
  592   3HB   ALA  88          2HB       ALA  88   1.498   6.080  -9.872
  593    H    ASN  89           H        ASN  89   1.910   8.219  -6.578
  594    HA   ASN  89           HA       ASN  89   0.798  10.433  -8.046
  595   1HB   ASN  89          2HB       ASN  89   1.555  10.134  -5.107
  596   2HB   ASN  89          3HB       ASN  89   0.788  11.578  -5.781
  597   1HD2  ASN  89          1HD2      ASN  89  -1.931   9.362  -4.431
  598   2HD2  ASN  89          2HD2      ASN  89  -0.486  10.058  -3.693
  599    H    MET  90           H        MET  90   3.896  10.019  -6.291
  600    HA   MET  90           HA       MET  90   4.988  12.579  -6.806
  601   1HB   MET  90          2HB       MET  90   5.966  10.957  -5.231
  602   2HB   MET  90          3HB       MET  90   6.359   9.883  -6.565
  603   1HG   MET  90          2HG       MET  90   7.868  11.686  -7.498
  604   2HG   MET  90          3HG       MET  90   7.550  12.603  -6.021
  605   1HE   MET  90          2HE       MET  90   9.057   9.318  -7.602
  606   2HE   MET  90          3HE       MET  90   9.897   8.597  -6.204
  607   3HE   MET  90          1HE       MET  90   8.136   8.573  -6.274
  608    H    LYS  91           H        LYS  91   5.182   9.577  -8.791
  609    HA   LYS  91           HA       LYS  91   6.753  10.670 -10.913
  610   1HB   LYS  91          2HB       LYS  91   4.710   8.421 -10.902
  611   2HB   LYS  91          3HB       LYS  91   5.762   8.789 -12.265
  612   1HG   LYS  91          2HG       LYS  91   6.791   7.981  -9.503
  613   2HG   LYS  91          3HG       LYS  91   6.519   6.891 -10.866
  614   1HD   LYS  91          2HD       LYS  91   8.157   8.390 -12.183
  615   2HD   LYS  91          3HD       LYS  91   8.545   9.146 -10.613
  616   1HE   LYS  91          2HE       LYS  91   9.127   6.912  -9.690
  617   2HE   LYS  91          3HE       LYS  91   8.745   6.164 -11.257
  618   1HZ   LYS  91          3HZ       LYS  91  10.491   7.462 -12.231
  619   2HZ   LYS  91          1HZ       LYS  91  10.854   8.149 -10.776
  620   3HZ   LYS  91          2HZ       LYS  91  11.070   6.531 -11.003
  621    H    LYS  92           H        LYS  92   3.167  10.369 -10.649
  622    HA   LYS  92           HA       LYS  92   2.595  11.631 -13.115
  623   1HB   LYS  92          2HB       LYS  92   1.000  11.646 -10.522
  624   2HB   LYS  92          3HB       LYS  92   0.441  12.307 -12.072
  625   1HG   LYS  92          2HG       LYS  92   1.008   9.933 -13.033
  626   2HG   LYS  92          3HG       LYS  92   0.911   9.425 -11.334
  627   1HD   LYS  92          2HD       LYS  92  -1.297  10.991 -12.713
  628   2HD   LYS  92          3HD       LYS  92  -1.237   9.222 -12.719
  629   1HE   LYS  92          2HE       LYS  92  -1.114  10.846 -10.162
  630   2HE   LYS  92          3HE       LYS  92  -2.650  10.310 -10.893
  631   1HZ   LYS  92          3HZ       LYS  92  -1.860   8.064 -10.704
  632   2HZ   LYS  92          1HZ       LYS  92  -0.457   8.577  -9.990
  633   3HZ   LYS  92          2HZ       LYS  92  -1.901   8.810  -9.228
  634    H    HIS  93           H        HIS  93   3.101  13.114  -9.850
  635    HA   HIS  93           HA       HIS  93   2.689  15.821 -10.702
  636   1HB   HIS  93          2HB       HIS  93   2.799  15.483  -8.375
  637   2HB   HIS  93          3HB       HIS  93   4.294  14.560  -8.467
  638    HD1  HIS  93           HD1      HIS  93   3.196  18.267  -8.933
  639    HD2  HIS  93           HD2      HIS  93   6.596  15.821  -8.511
  640    HE1  HIS  93           HE1      HIS  93   5.209  19.814  -8.868
  641    H    PHE  94           H        PHE  94   5.711  13.943 -10.378
  642    HA   PHE  94           HA       PHE  94   7.490  15.857 -11.293
  643   1HB   PHE  94          2HB       PHE  94   7.871  13.470 -10.319
  644   2HB   PHE  94          3HB       PHE  94   7.812  12.913 -11.984
  645    HD1  PHE  94           HD2      PHE  94   9.523  14.034 -13.651
  646    HD2  PHE  94           HD1      PHE  94   9.814  14.362  -9.354
  647    HE1  PHE  94           HE2      PHE  94  11.869  14.799 -13.859
  648    HE2  PHE  94           HE1      PHE  94  12.169  15.105  -9.577
  649    HZ   PHE  94           HZ       PHE  94  13.191  15.346 -11.821
  650    H    ASN  95           H        ASN  95   5.593  13.502 -13.148
  651    HA   ASN  95           HA       ASN  95   6.601  14.152 -15.699
  652   1HB   ASN  95          2HB       ASN  95   4.109  12.800 -14.682
  653   2HB   ASN  95          3HB       ASN  95   4.172  13.294 -16.382
  654   1HD2  ASN  95          1HD2      ASN  95   6.336  10.082 -15.123
  655   2HD2  ASN  95          2HD2      ASN  95   5.419  11.071 -13.985
  656    H    ARG  96           H        ARG  96   3.511  15.129 -14.174
  657    HA   ARG  96           HA       ARG  96   2.558  16.967 -16.000
  658   1HB   ARG  96          2HB       ARG  96   2.340  16.756 -12.995
  659   2HB   ARG  96          3HB       ARG  96   1.570  18.087 -13.871
  660   1HG   ARG  96          2HG       ARG  96   0.254  16.561 -15.197
  661   2HG   ARG  96          3HG       ARG  96   1.059  15.148 -14.494
  662   1HD   ARG  96          2HD       ARG  96  -0.493  17.187 -12.825
  663   2HD   ARG  96          3HD       ARG  96  -1.230  15.754 -13.539
  664    HE   ARG  96           HE       ARG  96   1.158  15.170 -11.996
  665   1HH1  ARG  96          1HH1      ARG  96  -2.373  15.485 -11.841
  666   2HH1  ARG  96          2HH1      ARG  96  -2.530  14.662 -10.307
  667   1HH2  ARG  96          1HH2      ARG  96   0.961  14.118  -9.971
  668   2HH2  ARG  96          2HH2      ARG  96  -0.614  13.677  -9.375
  669    H    PHE  97           H        PHE  97   4.857  17.665 -13.333
  670    HA   PHE  97           HA       PHE  97   4.965  20.496 -14.165
  671   1HB   PHE  97          2HB       PHE  97   6.046  19.005 -11.767
  672   2HB   PHE  97          3HB       PHE  97   6.360  20.701 -12.102
  673    HD1  PHE  97           HD1      PHE  97   3.320  18.448 -11.950
  674    HD2  PHE  97           HD2      PHE  97   5.092  22.232 -10.883
  675    HE1  PHE  97           HE1      PHE  97   1.220  19.131 -10.918
  676    HE2  PHE  97           HE2      PHE  97   3.053  22.796  -9.598
  677    HZ   PHE  97           HZ       PHE  97   1.117  21.221  -9.570
  678    H    HIS  98           H        HIS  98   7.099  17.669 -14.492
  679    HA   HIS  98           HA       HIS  98   9.272  19.545 -15.381
  680   1HB   HIS  98          2HB       HIS  98   9.720  16.909 -13.995
  681   2HB   HIS  98          3HB       HIS  98  10.896  18.161 -14.384
  682    HD1  HIS  98           HD1      HIS  98   9.242  20.664 -13.211
  683    HD2  HIS  98           HD2      HIS  98   9.552  16.891 -11.407
  684    HE1  HIS  98           HE1      HIS  98   8.610  20.974 -10.759
  685    H    ASN  99           H        ASN  99   7.413  16.671 -16.262
  686    HA   ASN  99           HA       ASN  99   9.329  16.127 -18.490
  687   1HB   ASN  99          2HB       ASN  99   8.393  14.196 -17.294
  688   2HB   ASN  99          3HB       ASN  99   6.755  14.739 -17.728
  689   1HD2  ASN  99          1HD2      ASN  99   7.144  12.292 -20.238
  690   2HD2  ASN  99          2HD2      ASN  99   6.649  12.496 -18.561
  691    H    ILE 100           H        ILE 100   5.789  16.554 -18.140
  692    HA   ILE 100           HA       ILE 100   5.684  17.776 -20.850
  693    HB   ILE 100           HB       ILE 100   3.307  17.490 -20.729
  694   1HG1  ILE 100          2HG1      ILE 100   3.647  16.140 -18.023
  695   2HG1  ILE 100          3HG1      ILE 100   3.092  17.812 -18.210
  696   1HG2  ILE 100          3HG2      ILE 100   4.827  15.651 -21.493
  697   2HG2  ILE 100          1HG2      ILE 100   4.724  14.926 -19.877
  698   3HG2  ILE 100          2HG2      ILE 100   3.275  15.069 -20.890
  699   1HD1  ILE 100          3HD1      ILE 100   1.193  17.002 -19.611
  700   2HD1  ILE 100          1HD1      ILE 100   1.695  15.327 -19.279
  701   3HD1  ILE 100          2HD1      ILE 100   1.170  16.375 -17.954
  702    H    LYS 101           H        LYS 101   6.016  18.918 -17.692
  703    HA   LYS 101           HA       LYS 101   5.728  20.945 -16.704
  704   1HB   LYS 101          2HB       LYS 101   5.917  21.926 -19.588
  705   2HB   LYS 101          3HB       LYS 101   5.918  22.963 -18.169
  706   1HG   LYS 101          2HG       LYS 101   8.147  22.708 -18.887
  707   2HG   LYS 101          3HG       LYS 101   7.975  21.904 -17.320
  708   1HD   LYS 101          2HD       LYS 101   8.082  19.736 -18.319
  709   2HD   LYS 101          3HD       LYS 101   7.796  20.370 -19.954
  710   1HE   LYS 101          2HE       LYS 101   9.991  21.456 -19.955
  711   2HE   LYS 101          3HE       LYS 101  10.278  20.952 -18.275
  712   1HZ   LYS 101          3HZ       LYS 101   9.838  19.081 -20.492
  713   2HZ   LYS 101          1HZ       LYS 101  11.325  19.522 -19.918
  714   3HZ   LYS 101          2HZ       LYS 101  10.263  18.722 -18.943
  715   1H5*    T   1          1H5*        T   1  -5.238  22.684 -17.036
  716   2H5*    T   1          2H5*        T   1  -3.725  21.794 -17.333
  717    H4*    T   1           H4*        T   1  -4.142  22.582 -14.905
  718    H3*    T   1           H3*        T   1  -3.259  19.906 -15.785
  719   1H2*    T   1          1H2*        T   1  -4.751  18.828 -14.447
  720   2H2*    T   1          2H2*        T   1  -3.769  19.356 -13.059
  721    H1*    T   1           H1*        T   1  -5.057  21.373 -12.795
  722    H3     T   1           H3         T   1  -8.473  19.626 -10.289
  723   1H5M    T   1          1H5M        T   1  -8.802  17.263 -15.094
  724   2H5M    T   1          2H5M        T   1 -10.088  17.135 -13.882
  725   3H5M    T   1          3H5M        T   1 -10.068  18.511 -15.000
  726    H6     T   1           H6         T   1  -7.142  19.089 -14.875
  727    H5T    T   1           H5T        T   1  -6.161  20.572 -16.611
  728   1H5*    T   2          1H5*        T   2  -2.192  21.571 -11.694
  729   2H5*    T   2          2H5*        T   2  -0.540  21.195 -11.189
  730    H4*    T   2           H4*        T   2  -2.102  20.884  -9.316
  731    H3*    T   2           H3*        T   2  -0.860  18.388 -10.463
  732   1H2*    T   2          1H2*        T   2  -2.508  17.107  -9.701
  733   2H2*    T   2          2H2*        T   2  -2.362  17.766  -8.034
  734    H1*    T   2           H1*        T   2  -3.918  19.395  -8.393
  735    H3     T   2           H3         T   2  -7.764  16.960  -8.553
  736   1H5M    T   2          1H5M        T   2  -7.109  16.055 -13.108
  737   2H5M    T   2          2H5M        T   2  -5.511  16.734 -13.460
  738   3H5M    T   2          3H5M        T   2  -5.654  15.125 -12.713
  739    H6     T   2           H6         T   2  -4.120  17.553 -11.619
  740   1H5*    G   3          1H5*        G   3  -0.627  19.034  -5.695
  741   2H5*    G   3          2H5*        G   3   0.827  18.199  -5.117
  742    H4*    G   3           H4*        G   3  -1.213  17.870  -3.723
  743    H3*    G   3           H3*        G   3   0.652  15.987  -4.028
  744   1H2*    G   3          1H2*        G   3  -0.374  15.058  -6.086
  745   2H2*    G   3          2H2*        G   3  -0.946  13.914  -4.847
  746    H1*    G   3           H1*        G   3  -2.944  15.197  -4.446
  747    H8     G   3           H8         G   3  -1.528  14.936  -8.036
  748    H1     G   3           H1         G   3  -7.843  13.922  -7.419
  749   1H2     G   3           H21        G   3  -8.366  14.145  -5.159
  750   2H2     G   3           H22        G   3  -7.139  14.692  -4.042
  751   1H5*    G   4          1H5*        G   4  -2.694  15.690  -0.782
  752   2H5*    G   4          2H5*        G   4  -2.055  14.877   0.661
  753    H4*    G   4           H4*        G   4  -4.504  14.624   0.476
  754    H3*    G   4           H3*        G   4  -2.781  12.514   0.983
  755   1H2*    G   4          1H2*        G   4  -2.772  11.685  -1.251
  756   2H2*    G   4          2H2*        G   4  -4.125  10.716  -0.612
  757    H1*    G   4           H1*        G   4  -5.744  12.291  -1.401
  758    H8     G   4           H8         G   4  -2.442  12.760  -3.460
  759    H1     G   4           H1         G   4  -7.456  10.575  -6.826
  760   1H2     G   4           H21        G   4  -9.118   9.990  -5.337
  761   2H2     G   4           H22        G   4  -8.986  10.474  -3.657
  762   1H5*    A   5          1H5*        A   5  -7.278  10.987   0.726
  763   2H5*    A   5          2H5*        A   5  -7.536   9.755   1.979
  764    H4*    A   5           H4*        A   5  -8.481   9.050  -0.168
  765    H3*    A   5           H3*        A   5  -6.584   7.422   1.288
  766   1H2*    A   5          1H2*        A   5  -5.005   7.571  -0.449
  767   2H2*    A   5          2H2*        A   5  -5.938   6.179  -1.075
  768    H1*    A   5           H1*        A   5  -7.443   7.687  -2.276
  769    H8     A   5           H8         A   5  -3.727   8.910  -2.044
  770   1H6     A   5           H61        A   5  -3.869   8.568  -8.217
  771   2H6     A   5           H62        A   5  -2.849   8.899  -6.829
  772    H2     A   5           H2         A   5  -7.803   7.217  -6.701
  773   1H5*    T   6          1H5*        T   6 -10.087   5.296  -1.547
  774   2H5*    T   6          2H5*        T   6 -10.311   3.682  -0.842
  775    H4*    T   6           H4*        T   6 -10.562   3.743  -3.341
  776    H3*    T   6           H3*        T   6  -9.011   1.831  -1.893
  777   1H2*    T   6          1H2*        T   6  -7.000   2.556  -2.700
  778   2H2*    T   6          2H2*        T   6  -7.379   1.481  -4.065
  779    H1*    T   6           H1*        T   6  -8.508   3.276  -5.271
  780    H3     T   6           H3         T   6  -4.840   4.827  -7.455
  781   1H5M    T   6          1H5M        T   6  -2.900   4.516  -2.794
  782   2H5M    T   6          2H5M        T   6  -2.779   6.142  -3.479
  783   3H5M    T   6          3H5M        T   6  -3.975   5.797  -2.217
  784    H6     T   6           H6         T   6  -6.019   4.515  -2.804
  785   1H5*    G   7          1H5*        G   7 -11.695   0.494  -5.742
  786   2H5*    G   7          2H5*        G   7 -11.994  -1.247  -5.597
  787    H4*    G   7           H4*        G   7 -12.077  -0.483  -7.933
  788    H3*    G   7           H3*        G   7 -10.680  -2.755  -7.187
  789   1H2*    G   7          1H2*        G   7  -8.600  -1.687  -7.066
  790   2H2*    G   7          2H2*        G   7  -8.506  -2.281  -8.734
  791    H1*    G   7           H1*        G   7  -9.227  -0.166  -9.637
  792    H8     G   7           H8         G   7  -8.021   0.427  -5.993
  793    H1     G   7           H1         G   7  -3.719   2.259 -10.357
  794   1H2     G   7           H21        G   7  -4.552   1.918 -12.462
  795   2H2     G   7           H22        G   7  -6.165   1.257 -12.677
  796   1H5*    G   8          1H5*        G   8  -9.935  -1.557 -11.693
  797   2H5*    G   8          2H5*        G   8 -10.167  -3.006 -12.692
  798    H4*    G   8           H4*        G   8  -8.268  -1.733 -13.525
  799    H3*    G   8           H3*        G   8  -8.049  -4.495 -12.736
  800   1H2*    G   8          1H2*        G   8  -6.581  -3.986 -10.989
  801   2H2*    G   8          2H2*        G   8  -5.350  -4.097 -12.270
  802    H1*    G   8           H1*        G   8  -5.530  -1.729 -12.774
  803    H8     G   8           H8         G   8  -6.365  -2.532  -9.070
  804    H1     G   8           H1         G   8  -0.617   0.173  -9.901
  805   1H2     G   8           H21        G   8  -0.118   0.109 -12.174
  806   2H2     G   8           H22        G   8  -1.345  -0.394 -13.327
  807   1H5*    G   9          1H5*        G   9  -4.261  -2.674 -15.220
  808   2H5*    G   9          2H5*        G   9  -4.072  -3.904 -16.486
  809    H4*    G   9           H4*        G   9  -1.879  -3.312 -15.909
  810    H3*    G   9           H3*        G   9  -2.780  -5.993 -15.412
  811   1H2*    G   9          1H2*        G   9  -2.629  -5.635 -13.062
  812   2H2*    G   9          2H2*        G   9  -1.004  -6.293 -13.385
  813    H1*    G   9           H1*        G   9  -0.166  -4.001 -13.727
  814    H8     G   9           H8         G   9  -2.952  -4.376 -10.956
  815    H1     G   9           H1         G   9   2.620  -1.945  -8.928
  816   1H2     G   9           H21        G   9   4.110  -1.898 -10.713
  817   2H2     G   9           H22        G   9   3.569  -2.349 -12.324
  818   1H5*    A  10          1H5*        A  10   1.888  -4.871 -15.851
  819   2H5*    A  10          2H5*        A  10   2.588  -6.249 -16.728
  820    H4*    A  10           H4*        A  10   4.244  -5.294 -15.235
  821    H3*    A  10           H3*        A  10   3.349  -8.091 -14.965
  822   1H2*    A  10          1H2*        A  10   3.028  -7.891 -12.721
  823   2H2*    A  10          2H2*        A  10   4.793  -7.938 -12.562
  824    H1*    A  10           H1*        A  10   4.936  -5.509 -12.608
  825    H8     A  10           H8         A  10   1.294  -6.430 -11.621
  826   1H6     A  10           H61        A  10   2.565  -4.369  -6.003
  827   2H6     A  10           H62        A  10   1.383  -4.994  -7.125
  828    H2     A  10           H2         A  10   6.328  -4.000  -8.454
  829   1H5*    G  11          1H5*        G  11   7.229  -6.409 -13.804
  830   2H5*    G  11          2H5*        G  11   8.700  -7.368 -14.057
  831    H4*    G  11           H4*        G  11   8.611  -6.118 -11.885
  832    H3*    G  11           H3*        G  11   9.354  -8.883 -12.200
  833   1H2*    G  11          1H2*        G  11   7.491  -9.610 -10.901
  834   2H2*    G  11          2H2*        G  11   8.642  -9.300  -9.564
  835    H1*    G  11           H1*        G  11   7.866  -6.967  -9.423
  836    H8     G  11           H8         G  11   4.887  -9.286 -10.522
  837    H1     G  11           H1         G  11   4.662  -6.908  -4.530
  838   1H2     G  11           H21        G  11   6.625  -5.831  -4.146
  839   2H2     G  11           H22        G  11   7.682  -5.441  -5.488
  840   1H5*    A  12          1H5*        A  12  11.601  -5.653  -9.600
  841   2H5*    A  12          2H5*        A  12  13.324  -6.078  -9.624
  842    H4*    A  12           H4*        A  12  12.700  -4.731  -7.645
  843    H3*    A  12           H3*        A  12  14.314  -6.965  -7.505
  844   1H2*    A  12          1H2*        A  12  12.572  -8.479  -6.899
  845   2H2*    A  12          2H2*        A  12  13.158  -8.033  -5.285
  846    H1*    A  12           H1*        A  12  11.478  -6.354  -5.016
  847    H8     A  12           H8         A  12  10.254  -8.800  -7.824
  848   1H6     A  12           H61        A  12   5.558 -10.050  -4.107
  849   2H6     A  12           H62        A  12   6.360 -10.353  -5.654
  850    H2     A  12           H2         A  12   8.322  -7.304  -1.892
  851   1H5*    C  13          1H5*        C  13  13.206  -4.989  -3.265
  852   2H5*    C  13          2H5*        C  13  14.712  -4.894  -2.329
  853    H4*    C  13           H4*        C  13  12.797  -5.453  -0.894
  854    H3*    C  13           H3*        C  13  15.222  -7.014  -1.004
  855   1H2*    C  13          1H2*        C  13  14.139  -8.932  -1.727
  856   2H2*    C  13          2H2*        C  13  13.769  -9.144  -0.002
  857    H1*    C  13           H1*        C  13  11.667  -7.944  -0.217
  858   1H4     C  13           H41        C  13   9.418 -12.040  -5.034
  859   2H4     C  13           H42        C  13   8.291 -12.106  -3.696
  860    H5     C  13           H5         C  13  11.550 -10.798  -4.884
  861    H6     C  13           H6         C  13  12.814  -9.266  -3.513
  862   1H5*    C  14          1H5*        C  14  12.355  -7.680   2.557
  863   2H5*    C  14          2H5*        C  14  13.179  -8.072   4.082
  864    H4*    C  14           H4*        C  14  11.261  -9.586   3.537
  865    H3*    C  14           H3*        C  14  14.023 -10.711   3.858
  866   1H2*    C  14          1H2*        C  14  13.526 -12.434   2.483
  867   2H2*    C  14          2H2*        C  14  12.164 -12.907   3.531
  868    H1*    C  14           H1*        C  14  10.601 -11.590   2.391
  869   1H4     C  14           H41        C  14  12.322 -13.673  -3.715
  870   2H4     C  14           H42        C  14  10.735 -14.324  -3.334
  871    H5     C  14           H5         C  14  13.612 -12.351  -2.067
  872    H6     C  14           H6         C  14  13.511 -11.383   0.184
  873   1H5*    G  15          1H5*        G  15  10.363 -12.770   5.684
  874   2H5*    G  15          2H5*        G  15  10.718 -13.646   7.188
  875    H4*    G  15           H4*        G  15   9.377 -15.006   5.628
  876    H3*    G  15           H3*        G  15  12.009 -15.929   6.604
  877   1H2*    G  15          1H2*        G  15  12.688 -16.542   4.496
  878   2H2*    G  15          2H2*        G  15  11.550 -17.911   4.671
  879    H1*    G  15           H1*        G  15   9.760 -16.648   3.644
  880    H8     G  15           H8         G  15  13.289 -15.411   2.474
  881    H1     G  15           H1         G  15   9.490 -17.608  -2.220
  882   1H2     G  15           H21        G  15   7.507 -18.337  -1.281
  883   2H2     G  15           H22        G  15   7.234 -18.158   0.439
  884    H3T    G  15           H3T        G  15  10.741 -17.764   6.968
  885   1H5*    C  16          1H5*        C  16   5.736 -22.976  -7.821
  886   2H5*    C  16          2H5*        C  16   4.124 -22.372  -8.277
  887    H4*    C  16           H4*        C  16   4.748 -22.024  -5.808
  888    H3*    C  16           H3*        C  16   3.877 -19.899  -7.692
  889   1H2*    C  16          1H2*        C  16   5.146 -18.326  -6.750
  890   2H2*    C  16          2H2*        C  16   4.271 -18.530  -5.196
  891    H1*    C  16           H1*        C  16   5.796 -20.174  -4.437
  892   1H4     C  16           H41        C  16  11.245 -16.514  -5.749
  893   2H4     C  16           H42        C  16  11.109 -16.672  -4.007
  894    H5     C  16           H5         C  16   9.517 -17.363  -7.279
  895    H6     C  16           H6         C  16   7.482 -18.650  -7.403
  896    H5T    C  16           H5T        C  16   6.512 -20.869  -8.442
  897   1H5*    G  17          1H5*        G  17   2.239 -20.004  -3.381
  898   2H5*    G  17          2H5*        G  17   0.532 -19.542  -3.298
  899    H4*    G  17           H4*        G  17   1.769 -18.622  -1.410
  900    H3*    G  17           H3*        G  17   0.158 -16.952  -3.018
  901   1H2*    G  17          1H2*        G  17   2.066 -16.015  -4.118
  902   2H2*    G  17          2H2*        G  17   1.859 -14.826  -2.805
  903    H1*    G  17           H1*        G  17   3.336 -16.095  -1.334
  904    H8     G  17           H8         G  17   4.183 -16.129  -5.118
  905    H1     G  17           H1         G  17   9.007 -14.371  -1.268
  906   1H2     G  17           H21        G  17   8.237 -14.441   0.930
  907   2H2     G  17           H22        G  17   6.590 -14.927   1.266
  908   1H5*    G  18          1H5*        G  18   0.975 -16.304   1.541
  909   2H5*    G  18          2H5*        G  18  -0.436 -15.496   2.252
  910    H4*    G  18           H4*        G  18   1.613 -15.092   3.555
  911    H3*    G  18           H3*        G  18  -0.159 -13.087   2.810
  912   1H2*    G  18          1H2*        G  18   1.111 -12.276   1.003
  913   2H2*    G  18          2H2*        G  18   1.803 -11.247   2.277
  914    H1*    G  18           H1*        G  18   3.671 -12.686   2.598
  915    H8     G  18           H8         G  18   2.079 -13.476  -0.886
  916    H1     G  18           H1         G  18   8.065 -11.205  -1.215
  917   1H2     G  18           H21        G  18   8.680 -10.465   0.874
  918   2H2     G  18           H22        G  18   7.704 -10.861   2.279
  919   1H5*    T  19          1H5*        T  19   3.521 -11.348   5.093
  920   2H5*    T  19          2H5*        T  19   3.015 -10.076   6.225
  921    H4*    T  19           H4*        T  19   4.955  -9.378   4.895
  922    H3*    T  19           H3*        T  19   2.431  -7.850   4.821
  923   1H2*    T  19          1H2*        T  19   2.476  -7.793   2.537
  924   2H2*    T  19          2H2*        T  19   3.719  -6.556   2.718
  925    H1*    T  19           H1*        T  19   5.504  -8.251   2.697
  926    H3     T  19           H3         T  19   6.127  -8.724  -1.851
  927   1H5M    T  19          1H5M        T  19   1.911 -10.576  -2.376
  928   2H5M    T  19          2H5M        T  19   1.268 -10.705  -0.734
  929   3H5M    T  19          3H5M        T  19   1.099  -9.177  -1.628
  930    H6     T  19           H6         T  19   2.419  -9.476   1.091
  931   1H5*    C  20          1H5*        C  20   6.503  -6.060   4.145
  932   2H5*    C  20          2H5*        C  20   6.762  -4.345   4.527
  933    H4*    C  20           H4*        C  20   7.571  -5.082   2.252
  934    H3*    C  20           H3*        C  20   5.448  -2.940   2.450
  935   1H2*    C  20          1H2*        C  20   5.036  -3.108   0.232
  936   2H2*    C  20          2H2*        C  20   6.774  -3.211  -0.191
  937    H1*    C  20           H1*        C  20   6.891  -5.462  -0.031
  938   1H4     C  20           H41        C  20   1.200  -7.063  -3.108
  939   2H4     C  20           H42        C  20   2.495  -7.165  -4.278
  940    H5     C  20           H5         C  20   1.575  -6.218  -0.798
  941    H6     C  20           H6         C  20   3.262  -5.446   0.743
  942   1H5*    T  21          1H5*        T  21   9.469  -2.673   0.371
  943   2H5*    T  21          2H5*        T  21  10.177  -1.046   0.303
  944    H4*    T  21           H4*        T  21  10.493  -2.363  -1.801
  945    H3*    T  21           H3*        T  21   9.521   0.328  -1.651
  946   1H2*    T  21          1H2*        T  21   7.419  -0.187  -2.492
  947   2H2*    T  21          2H2*        T  21   8.233  -0.082  -4.076
  948    H1*    T  21           H1*        T  21   8.748  -2.424  -4.091
  949    H3     T  21           H3         T  21   4.809  -3.857  -5.921
  950   1H5M    T  21          1H5M        T  21   2.876  -3.237  -1.460
  951   2H5M    T  21          2H5M        T  21   3.659  -1.690  -1.043
  952   3H5M    T  21          3H5M        T  21   2.482  -1.776  -2.363
  953    H6     T  21           H6         T  21   5.922  -1.739  -1.746
  954   1H5*    C  22          1H5*        C  22  10.736  -0.870  -6.172
  955   2H5*    C  22          2H5*        C  22  11.362   0.606  -6.940
  956    H4*    C  22           H4*        C  22   9.657  -0.442  -8.358
  957    H3*    C  22           H3*        C  22   8.967   2.197  -7.095
  958   1H2*    C  22          1H2*        C  22   6.784   1.823  -7.297
  959   2H2*    C  22          2H2*        C  22   6.923   1.446  -9.033
  960    H1*    C  22           H1*        C  22   7.306  -0.830  -8.706
  961   1H4     C  22           H41        C  22   1.891  -1.035  -4.768
  962   2H4     C  22           H42        C  22   1.395  -1.599  -6.346
  963    H5     C  22           H5         C  22   4.104  -0.052  -4.358
  964    H6     C  22           H6         C  22   6.303   0.255  -5.305
  965   1H5*    C  23          1H5*        C  23   7.962   1.783 -11.551
  966   2H5*    C  23          2H5*        C  23   7.842   3.369 -12.346
  967    H4*    C  23           H4*        C  23   5.929   1.908 -12.811
  968    H3*    C  23           H3*        C  23   5.322   4.394 -11.200
  969   1H2*    C  23          1H2*        C  23   3.162   3.720 -11.050
  970   2H2*    C  23          2H2*        C  23   3.144   2.949 -12.672
  971    H1*    C  23           H1*        C  23   3.797   0.940 -11.961
  972   1H4     C  23           H41        C  23   0.753   1.188  -6.014
  973   2H4     C  23           H42        C  23  -0.369   0.430  -7.123
  974    H5     C  23           H5         C  23   2.807   2.313  -6.785
  975    H6     C  23           H6         C  23   4.288   2.564  -8.689
  976   1H5*    C  24          1H5*        C  24   3.420   3.099 -15.078
  977   2H5*    C  24          2H5*        C  24   3.295   4.480 -16.180
  978    H4*    C  24           H4*        C  24   1.425   2.967 -16.519
  979    H3*    C  24           H3*        C  24   1.173   5.759 -15.967
  980   1H2*    C  24          1H2*        C  24   0.085   5.516 -13.977
  981   2H2*    C  24          2H2*        C  24  -1.364   5.315 -14.994
  982    H1*    C  24           H1*        C  24  -1.241   2.926 -14.882
  983   1H4     C  24           H41        C  24  -0.506   3.422  -8.200
  984   2H4     C  24           H42        C  24  -2.197   3.092  -8.454
  985    H5     C  24           H5         C  24   1.024   3.755 -10.013
  986    H6     C  24           H6         C  24   1.239   3.996 -12.394
  987   1H5*    A  25          1H5*        A  25  -2.588   3.634 -17.219
  988   2H5*    A  25          2H5*        A  25  -3.525   4.487 -18.467
  989    H4*    A  25           H4*        A  25  -4.952   3.661 -16.608
  990    H3*    A  25           H3*        A  25  -4.820   6.489 -17.433
  991   1H2*    A  25          1H2*        A  25  -4.557   7.260 -15.303
  992   2H2*    A  25          2H2*        A  25  -6.269   6.838 -15.053
  993    H1*    A  25           H1*        A  25  -5.708   4.691 -14.154
  994    H8     A  25           H8         A  25  -2.518   6.947 -13.896
  995   1H6     A  25           H61        A  25  -2.798   5.886  -7.817
  996   2H6     A  25           H62        A  25  -1.844   6.510  -9.151
  997    H2     A  25           H2         A  25  -6.497   4.199  -9.688
  998   1H5*    T  26          1H5*        T  26  -8.382   4.339 -15.668
  999   2H5*    T  26          2H5*        T  26  -9.995   4.899 -16.157
 1000    H4*    T  26           H4*        T  26  -9.761   4.434 -13.697
 1001    H3*    T  26           H3*        T  26 -10.567   7.115 -14.763
 1002   1H2*    T  26          1H2*        T  26  -9.661   8.212 -13.014
 1003   2H2*    T  26          2H2*        T  26 -10.669   7.273 -11.878
 1004    H1*    T  26           H1*        T  26  -9.083   5.602 -11.572
 1005    H3     T  26           H3         T  26  -6.267   7.774  -8.732
 1006   1H5M    T  26          1H5M        T  26  -5.252   9.514 -13.795
 1007   2H5M    T  26          2H5M        T  26  -4.973  10.578 -12.400
 1008   3H5M    T  26          3H5M        T  26  -3.906   9.194 -12.682
 1009    H6     T  26           H6         T  26  -7.105   8.135 -13.436
 1010   1H5*    C  27          1H5*        C  27 -12.481   5.158 -11.133
 1011   2H5*    C  27          2H5*        C  27 -14.222   5.476 -10.979
 1012    H4*    C  27           H4*        C  27 -13.041   5.675  -8.812
 1013    H3*    C  27           H3*        C  27 -14.721   7.743  -9.946
 1014   1H2*    C  27          1H2*        C  27 -13.044   9.330  -9.961
 1015   2H2*    C  27          2H2*        C  27 -13.429   9.504  -8.234
 1016    H1*    C  27           H1*        C  27 -11.778   7.852  -7.607
 1017   1H4     C  27           H41        C  27  -6.957  11.493 -10.586
 1018   2H4     C  27           H42        C  27  -6.465  11.214  -8.939
 1019    H5     C  27           H5         C  27  -9.010  10.494 -11.532
 1020    H6     C  27           H6         C  27 -11.025   9.292 -10.986
 1021   1H5*    C  28          1H5*        C  28 -13.951   8.143  -5.359
 1022   2H5*    C  28          2H5*        C  28 -15.347   8.869  -4.531
 1023    H4*    C  28           H4*        C  28 -13.242  10.037  -3.978
 1024    H3*    C  28           H3*        C  28 -15.279  11.572  -5.609
 1025   1H2*    C  28          1H2*        C  28 -13.755  13.128  -6.146
 1026   2H2*    C  28          2H2*        C  28 -13.109  13.227  -4.479
 1027    H1*    C  28           H1*        C  28 -11.541  11.614  -4.772
 1028   1H4     C  28           H41        C  28  -9.590  13.415 -10.914
 1029   2H4     C  28           H42        C  28  -8.314  13.859  -9.807
 1030    H5     C  28           H5         C  28 -11.748  12.481 -10.152
 1031    H6     C  28           H6         C  28 -12.986  11.752  -8.194
 1032   1H5*    A  29          1H5*        A  29 -13.482  12.982  -1.668
 1033   2H5*    A  29          2H5*        A  29 -14.578  13.988  -0.702
 1034    H4*    A  29           H4*        A  29 -12.185  14.725  -0.702
 1035    H3*    A  29           H3*        A  29 -14.407  16.430  -0.862
 1036   1H2*    A  29          1H2*        A  29 -14.196  16.795  -3.171
 1037   2H2*    A  29          2H2*        A  29 -13.188  18.150  -2.609
 1038    H1*    A  29           H1*        A  29 -11.167  16.845  -2.785
 1039    H8     A  29           H8         A  29 -14.062  15.914  -5.235
 1040   1H6     A  29           H61        A  29  -9.814  16.243  -9.707
 1041   2H6     A  29           H62        A  29 -11.504  15.964  -9.296
 1042    H2     A  29           H2         A  29  -7.813  17.237  -5.823
 1043   1H5*    A  30          1H5*        A  30  -9.966  18.025  -0.356
 1044   2H5*    A  30          2H5*        A  30  -9.951  19.452   0.701
 1045    H4*    A  30           H4*        A  30  -8.234  19.581  -1.062
 1046    H3*    A  30           H3*        A  30 -10.166  21.675  -0.547
 1047   1H2*    A  30          1H2*        A  30 -11.126  21.514  -2.669
 1048   2H2*    A  30          2H2*        A  30  -9.752  22.568  -3.116
 1049    H1*    A  30           H1*        A  30  -8.396  20.629  -3.705
 1050    H8     A  30           H8         A  30 -12.191  19.721  -4.080
 1051   1H6     A  30           H61        A  30 -10.946  19.056 -10.070
 1052   2H6     A  30           H62        A  30 -12.171  19.041  -8.805
 1053    H2     A  30           H2         A  30  -7.202  20.474  -8.050
 1054    H3T    A  30           H3T        A  30  -7.619  21.673  -1.827
   
  No H/Q in entry =        1054
  Start of MODEL   15
    1    H    MET   1           H        MET   1   2.396 -18.588  -9.038
    2    HA   MET   1           HA       MET   1   3.523 -16.559 -10.299
    3   1HB   MET   1          2HB       MET   1   5.370 -17.174 -11.694
    4   2HB   MET   1          3HB       MET   1   5.743 -17.707 -10.046
    5   1HG   MET   1          2HG       MET   1   4.833 -20.018 -10.767
    6   2HG   MET   1          3HG       MET   1   4.882 -19.405 -12.420
    7   1HE   MET   1          2HE       MET   1   7.151 -18.560 -13.589
    8   2HE   MET   1          3HE       MET   1   7.660 -17.602 -12.172
    9   3HE   MET   1          1HE       MET   1   8.762 -18.806 -12.873
   10    H    LYS  11           H        LYS  11   2.333 -19.818 -10.738
   11    HA   LYS  11           HA       LYS  11   1.698 -19.772 -13.478
   12   1HB   LYS  11          2HB       LYS  11   1.613 -21.758 -11.919
   13   2HB   LYS  11          3HB       LYS  11   0.117 -21.088 -11.246
   14   1HG   LYS  11          2HG       LYS  11  -0.904 -21.238 -13.578
   15   2HG   LYS  11          3HG       LYS  11   0.616 -21.944 -14.133
   16   1HD   LYS  11          2HD       LYS  11  -0.972 -23.718 -13.753
   17   2HD   LYS  11          3HD       LYS  11   0.325 -23.842 -12.560
   18   1HE   LYS  11          2HE       LYS  11  -1.917 -24.265 -11.589
   19   2HE   LYS  11          3HE       LYS  11  -1.132 -22.891 -10.815
   20   1HZ   LYS  11          2HZ       LYS  11  -3.157 -22.719 -12.943
   21   2HZ   LYS  11          3HZ       LYS  11  -3.432 -22.480 -11.336
   22   3HZ   LYS  11          1HZ       LYS  11  -2.463 -21.442 -12.169
   23    H    ARG  12           H        ARG  12  -0.082 -19.027 -14.627
   24    HA   ARG  12           HA       ARG  12  -1.540 -16.800 -13.488
   25   1HB   ARG  12          2HB       ARG  12  -1.383 -18.137 -16.174
   26   2HB   ARG  12          3HB       ARG  12  -2.734 -17.067 -15.813
   27   1HG   ARG  12          2HG       ARG  12  -0.852 -15.899 -16.918
   28   2HG   ARG  12          3HG       ARG  12  -1.349 -15.190 -15.378
   29   1HD   ARG  12          2HD       ARG  12   0.573 -16.170 -14.234
   30   2HD   ARG  12          3HD       ARG  12   1.055 -17.032 -15.714
   31    HE   ARG  12           HE       ARG  12   0.917 -14.360 -16.433
   32   1HH1  ARG  12          1HH1      ARG  12   2.734 -16.178 -13.942
   33   2HH1  ARG  12          2HH1      ARG  12   4.167 -15.216 -14.146
   34   1HH2  ARG  12          1HH2      ARG  12   2.754 -13.040 -16.553
   35   2HH2  ARG  12          2HH2      ARG  12   4.155 -13.360 -15.570
   36    H    TYR  13           H        TYR  13  -2.885 -17.369 -11.865
   37    HA   TYR  13           HA       TYR  13  -4.550 -19.760 -11.916
   38   1HB   TYR  13          2HB       TYR  13  -4.953 -17.345 -10.152
   39   2HB   TYR  13          3HB       TYR  13  -5.316 -19.030  -9.785
   40    HD1  TYR  13           HD2      TYR  13  -2.952 -20.551  -9.924
   41    HD2  TYR  13           HD1      TYR  13  -3.169 -16.313  -9.151
   42    HE1  TYR  13           HE2      TYR  13  -0.619 -20.538  -9.072
   43    HE2  TYR  13           HE1      TYR  13  -1.114 -16.469  -7.829
   44    HH   TYR  13           HH       TYR  13   0.870 -17.356  -8.529
   45    H    ILE  14           H        ILE  14  -6.605 -19.841 -12.790
   46    HA   ILE  14           HA       ILE  14  -7.507 -17.515 -14.289
   47    HB   ILE  14           HB       ILE  14  -8.598 -20.338 -14.324
   48   1HG1  ILE  14          2HG1      ILE  14  -6.246 -18.973 -15.649
   49   2HG1  ILE  14          3HG1      ILE  14  -6.316 -20.571 -14.897
   50   1HG2  ILE  14          2HG2      ILE  14 -10.096 -18.583 -15.326
   51   2HG2  ILE  14          3HG2      ILE  14  -8.738 -18.082 -16.364
   52   3HG2  ILE  14          1HG2      ILE  14  -9.470 -19.694 -16.524
   53   1HD1  ILE  14          3HD1      ILE  14  -7.728 -21.306 -16.873
   54   2HD1  ILE  14          1HD1      ILE  14  -7.386 -19.700 -17.595
   55   3HD1  ILE  14          2HD1      ILE  14  -6.060 -20.818 -17.258
   56    H    CYS  15           H        CYS  15  -9.431 -16.540 -14.220
   57    HA   CYS  15           HA       CYS  15 -10.745 -16.068 -11.746
   58   1HB   CYS  15          2HB       CYS  15 -10.614 -14.410 -13.432
   59   2HB   CYS  15          3HB       CYS  15 -11.331 -15.469 -14.651
   60    H    SER  16           H        SER  16 -12.309 -17.107 -10.704
   61    HA   SER  16           HA       SER  16 -13.218 -19.599 -11.135
   62   1HB   SER  16          2HB       SER  16 -14.921 -17.404  -9.890
   63   2HB   SER  16          3HB       SER  16 -14.761 -19.094  -9.380
   64    HG   SER  16           HG       SER  16 -12.579 -18.606  -8.816
   65    H    PHE  17           H        PHE  17 -14.762 -16.607 -12.305
   66    HA   PHE  17           HA       PHE  17 -17.041 -17.945 -13.521
   67   1HB   PHE  17          2HB       PHE  17 -15.983 -15.133 -13.950
   68   2HB   PHE  17          3HB       PHE  17 -17.587 -15.731 -14.340
   69    HD1  PHE  17           HD1      PHE  17 -19.121 -16.489 -12.417
   70    HD2  PHE  17           HD2      PHE  17 -15.460 -14.305 -11.746
   71    HE1  PHE  17           HE1      PHE  17 -19.824 -16.010 -10.089
   72    HE2  PHE  17           HE2      PHE  17 -16.119 -13.933  -9.394
   73    HZ   PHE  17           HZ       PHE  17 -18.320 -14.747  -8.568
   74    H    ALA  18           H        ALA  18 -15.328 -19.459 -14.494
   75    HA   ALA  18           HA       ALA  18 -13.480 -19.487 -16.198
   76   1HB   ALA  18          1HB       ALA  18 -14.885 -21.433 -15.803
   77   2HB   ALA  18          2HB       ALA  18 -16.131 -20.805 -16.900
   78   3HB   ALA  18          3HB       ALA  18 -14.538 -21.272 -17.535
   79    H    ASP  19           H        ASP  19 -16.633 -18.757 -17.738
   80    HA   ASP  19           HA       ASP  19 -15.917 -18.225 -20.309
   81   1HB   ASP  19          2HB       ASP  19 -17.925 -16.641 -18.649
   82   2HB   ASP  19          3HB       ASP  19 -17.885 -16.745 -20.414
   83    H    CYS  20           H        CYS  20 -15.502 -16.008 -17.581
   84    HA   CYS  20           HA       CYS  20 -14.926 -13.592 -18.849
   85   1HB   CYS  20          2HB       CYS  20 -15.287 -14.012 -16.419
   86   2HB   CYS  20          3HB       CYS  20 -13.697 -14.787 -16.346
   87    H    GLY  21           H        GLY  21 -12.842 -16.448 -18.373
   88   1HA   GLY  21          2HA       GLY  21 -10.797 -17.008 -19.179
   89   2HA   GLY  21          3HA       GLY  21 -11.092 -15.850 -20.482
   90    H    ALA  22           H        ALA  22 -10.948 -14.707 -17.148
   91    HA   ALA  22           HA       ALA  22  -8.471 -13.194 -17.757
   92   1HB   ALA  22          3HB       ALA  22 -10.425 -12.029 -16.756
   93   2HB   ALA  22          1HB       ALA  22 -10.307 -13.089 -15.328
   94   3HB   ALA  22          2HB       ALA  22  -8.984 -11.977 -15.722
   95    H    ALA  23           H        ALA  23  -6.508 -13.539 -16.539
   96    HA   ALA  23           HA       ALA  23  -6.538 -15.529 -14.424
   97   1HB   ALA  23          1HB       ALA  23  -6.345 -16.838 -16.566
   98   2HB   ALA  23          2HB       ALA  23  -4.843 -15.957 -16.919
   99   3HB   ALA  23          3HB       ALA  23  -4.944 -17.007 -15.484
  100    H    TYR  24           H        TYR  24  -4.674 -15.263 -13.021
  101    HA   TYR  24           HA       TYR  24  -2.625 -13.301 -13.866
  102   1HB   TYR  24          2HB       TYR  24  -4.216 -12.823 -11.339
  103   2HB   TYR  24          3HB       TYR  24  -2.905 -11.849 -12.001
  104    HD1  TYR  24           HD2      TYR  24  -6.432 -12.816 -12.359
  105    HD2  TYR  24           HD1      TYR  24  -3.335 -10.246 -13.888
  106    HE1  TYR  24           HE2      TYR  24  -8.118 -11.547 -13.621
  107    HE2  TYR  24           HE1      TYR  24  -5.020  -8.950 -15.124
  108    HH   TYR  24           HH       TYR  24  -7.268  -8.652 -15.554
  109    H    ASN  25           H        ASN  25  -0.829 -13.135 -12.475
  110    HA   ASN  25           HA       ASN  25   0.092 -15.714 -11.706
  111   1HB   ASN  25          2HB       ASN  25   2.244 -14.586 -11.489
  112   2HB   ASN  25          3HB       ASN  25   1.419 -13.932 -12.911
  113   1HD2  ASN  25          1HD2      ASN  25   2.813 -11.203 -10.522
  114   2HD2  ASN  25          2HD2      ASN  25   3.534 -12.723 -11.040
  115    H    LYS  26           H        LYS  26  -0.958 -13.019  -9.692
  116    HA   LYS  26           HA       LYS  26  -0.054 -14.550  -7.267
  117   1HB   LYS  26          2HB       LYS  26  -0.623 -11.586  -7.543
  118   2HB   LYS  26          3HB       LYS  26  -0.142 -12.461  -6.080
  119   1HG   LYS  26          2HG       LYS  26   1.545 -12.049  -8.567
  120   2HG   LYS  26          3HG       LYS  26   1.766 -11.295  -6.998
  121   1HD   LYS  26          2HD       LYS  26   2.008 -13.710  -6.052
  122   2HD   LYS  26          3HD       LYS  26   2.242 -14.200  -7.740
  123   1HE   LYS  26          2HE       LYS  26   3.905 -12.229  -6.115
  124   2HE   LYS  26          3HE       LYS  26   4.389 -13.830  -6.694
  125   1HZ   LYS  26          2HZ       LYS  26   4.143 -13.006  -8.939
  126   2HZ   LYS  26          3HZ       LYS  26   3.848 -11.482  -8.373
  127   3HZ   LYS  26          1HZ       LYS  26   5.301 -12.204  -8.087
  128    H    ASN  27           H        ASN  27  -1.515 -15.030  -5.658
  129    HA   ASN  27           HA       ASN  27  -4.239 -15.326  -6.362
  130   1HB   ASN  27          2HB       ASN  27  -3.243 -16.668  -4.604
  131   2HB   ASN  27          3HB       ASN  27  -2.946 -15.224  -3.609
  132   1HD2  ASN  27          1HD2      ASN  27  -6.729 -16.814  -3.810
  133   2HD2  ASN  27          2HD2      ASN  27  -5.484 -17.391  -4.904
  134    H    TRP  28           H        TRP  28  -2.660 -12.791  -4.346
  135    HA   TRP  28           HA       TRP  28  -4.944 -11.301  -3.640
  136   1HB   TRP  28          2HB       TRP  28  -3.546  -9.508  -3.176
  137   2HB   TRP  28          3HB       TRP  28  -2.595 -10.939  -2.805
  138    HD1  TRP  28           HD1      TRP  28  -0.318 -11.154  -4.051
  139    HE1  TRP  28           HE1      TRP  28   0.981  -9.763  -5.813
  140    HE3  TRP  28           HE3      TRP  28  -3.943  -7.750  -5.269
  141    HZ2  TRP  28           HZ2      TRP  28   0.389  -7.718  -7.712
  142    HZ3  TRP  28           HZ3      TRP  28  -3.541  -6.084  -7.053
  143    HH2  TRP  28           HH2      TRP  28  -1.408  -6.076  -8.305
  144    H    LYS  29           H        LYS  29  -2.979 -11.254  -6.659
  145    HA   LYS  29           HA       LYS  29  -4.351  -9.025  -7.750
  146   1HB   LYS  29          2HB       LYS  29  -2.127  -9.564  -8.543
  147   2HB   LYS  29          3HB       LYS  29  -2.628 -11.184  -9.029
  148   1HG   LYS  29          2HG       LYS  29  -2.424  -9.765 -10.974
  149   2HG   LYS  29          3HG       LYS  29  -4.084 -10.302 -10.722
  150   1HD   LYS  29          2HD       LYS  29  -4.359  -7.905  -9.525
  151   2HD   LYS  29          3HD       LYS  29  -2.873  -7.552 -10.404
  152   1HE   LYS  29          2HE       LYS  29  -4.845  -6.896 -11.697
  153   2HE   LYS  29          3HE       LYS  29  -4.078  -8.246 -12.521
  154   1HZ   LYS  29          2HZ       LYS  29  -6.383  -8.390 -10.679
  155   2HZ   LYS  29          3HZ       LYS  29  -6.495  -8.373 -12.325
  156   3HZ   LYS  29          1HZ       LYS  29  -5.783  -9.643 -11.556
  157    H    LEU  30           H        LEU  30  -4.758 -12.591  -8.149
  158    HA   LEU  30           HA       LEU  30  -6.925 -12.319  -9.943
  159   1HB   LEU  30          2HB       LEU  30  -5.768 -14.481  -9.499
  160   2HB   LEU  30          3HB       LEU  30  -6.506 -14.512  -7.890
  161    HG   LEU  30           HG       LEU  30  -8.782 -14.500  -8.977
  162   1HD1  LEU  30          3HD1      LEU  30  -7.132 -14.752 -11.527
  163   2HD1  LEU  30          1HD1      LEU  30  -8.847 -15.123 -11.436
  164   3HD1  LEU  30          2HD1      LEU  30  -8.325 -13.476 -11.158
  165   1HD2  LEU  30          2HD2      LEU  30  -7.593 -16.598  -8.285
  166   2HD2  LEU  30          3HD2      LEU  30  -8.780 -16.811  -9.592
  167   3HD2  LEU  30          1HD2      LEU  30  -7.051 -16.769  -9.970
  168    H    GLN  31           H        GLN  31  -6.818 -12.193  -6.354
  169    HA   GLN  31           HA       GLN  31  -9.661 -12.049  -5.993
  170   1HB   GLN  31          2HB       GLN  31  -7.541 -10.735  -4.262
  171   2HB   GLN  31          3HB       GLN  31  -9.231 -11.004  -3.898
  172   1HG   GLN  31          2HG       GLN  31  -6.927 -12.898  -3.792
  173   2HG   GLN  31          3HG       GLN  31  -8.326 -12.782  -2.749
  174   1HE2  GLN  31          1HE2      GLN  31  -8.307 -15.432  -5.849
  175   2HE2  GLN  31          2HE2      GLN  31  -6.967 -14.314  -5.562
  176    H    ALA  32           H        ALA  32  -7.177  -9.536  -6.486
  177    HA   ALA  32           HA       ALA  32  -8.872  -7.290  -6.332
  178   1HB   ALA  32          3HB       ALA  32  -6.375  -7.277  -6.314
  179   2HB   ALA  32          1HB       ALA  32  -6.384  -7.623  -8.057
  180   3HB   ALA  32          2HB       ALA  32  -7.072  -6.100  -7.455
  181    H    HIS  33           H        HIS  33  -8.259  -9.536  -9.043
  182    HA   HIS  33           HA       HIS  33  -9.882  -8.004 -10.923
  183   1HB   HIS  33          2HB       HIS  33  -8.324  -9.615 -11.786
  184   2HB   HIS  33          3HB       HIS  33  -9.055 -10.923 -10.867
  185    HD1  HIS  33           HD1      HIS  33  -9.442  -9.095 -14.132
  186    HD2  HIS  33           HD2      HIS  33 -11.513 -11.819 -11.678
  187    HE1  HIS  33           HE1      HIS  33 -11.406  -9.977 -15.501
  188    H    LEU  34           H        LEU  34 -10.485 -11.007  -9.056
  189    HA   LEU  34           HA       LEU  34 -13.159 -11.369  -9.619
  190   1HB   LEU  34          2HB       LEU  34 -11.627 -12.035  -7.107
  191   2HB   LEU  34          3HB       LEU  34 -13.269 -12.592  -7.397
  192    HG   LEU  34           HG       LEU  34 -11.014 -13.226  -9.325
  193   1HD1  LEU  34          3HD1      LEU  34 -12.090 -14.869  -6.990
  194   2HD1  LEU  34          1HD1      LEU  34 -10.951 -15.453  -8.220
  195   3HD1  LEU  34          2HD1      LEU  34 -10.468 -14.159  -7.108
  196   1HD2  LEU  34          2HD2      LEU  34 -13.757 -14.484  -8.879
  197   2HD2  LEU  34          3HD2      LEU  34 -13.300 -13.474 -10.269
  198   3HD2  LEU  34          1HD2      LEU  34 -12.530 -15.043 -10.028
  199    H    SER  35           H        SER  35 -11.831  -9.052  -7.315
  200    HA   SER  35           HA       SER  35 -14.060  -8.484  -5.773
  201   1HB   SER  35          2HB       SER  35 -13.163  -6.315  -5.401
  202   2HB   SER  35          3HB       SER  35 -11.791  -7.428  -5.549
  203    HG   SER  35           HG       SER  35 -11.473  -6.637  -7.662
  204    H    LYS  36           H        LYS  36 -13.504  -7.600  -9.187
  205    HA   LYS  36           HA       LYS  36 -15.614  -5.706  -9.456
  206   1HB   LYS  36          2HB       LYS  36 -14.428  -7.644 -11.486
  207   2HB   LYS  36          3HB       LYS  36 -15.461  -6.256 -11.870
  208   1HG   LYS  36          2HG       LYS  36 -13.798  -4.711 -10.897
  209   2HG   LYS  36          3HG       LYS  36 -12.756  -6.078 -10.469
  210   1HD   LYS  36          2HD       LYS  36 -12.597  -6.721 -12.872
  211   2HD   LYS  36          3HD       LYS  36 -13.642  -5.356 -13.304
  212   1HE   LYS  36          2HE       LYS  36 -11.308  -4.755 -13.700
  213   2HE   LYS  36          3HE       LYS  36 -11.959  -3.770 -12.379
  214   1HZ   LYS  36          3HZ       LYS  36 -10.297  -6.178 -12.083
  215   2HZ   LYS  36          1HZ       LYS  36  -9.791  -4.624 -11.879
  216   3HZ   LYS  36          2HZ       LYS  36 -10.889  -5.276 -10.839
  217    H    HIS  37           H        HIS  37 -15.619  -9.262  -9.533
  218    HA   HIS  37           HA       HIS  37 -18.444  -9.378 -10.434
  219   1HB   HIS  37          2HB       HIS  37 -16.472 -11.542  -9.658
  220   2HB   HIS  37          3HB       HIS  37 -18.083 -11.803 -10.318
  221    HD1  HIS  37           HD1      HIS  37 -18.386 -11.313 -12.965
  222    HD2  HIS  37           HD2      HIS  37 -14.526 -11.437 -11.335
  223    HE1  HIS  37           HE1      HIS  37 -16.806 -11.985 -14.857
  224    H    THR  38           H        THR  38 -16.434 -10.310  -7.667
  225    HA   THR  38           HA       THR  38 -18.680 -11.310  -6.100
  226    HB   THR  38           HB       THR  38 -16.921 -11.933  -4.524
  227    HG1  THR  38          1HG       THR  38 -15.121 -10.642  -6.310
  228   1HG2  THR  38          2HG2      THR  38 -17.275 -13.401  -6.494
  229   2HG2  THR  38          3HG2      THR  38 -16.001 -12.526  -7.374
  230   3HG2  THR  38          1HG2      THR  38 -15.600 -13.433  -5.908
  231    H    GLY  39           H        GLY  39 -16.747  -8.317  -6.108
  232   1HA   GLY  39          2HA       GLY  39 -17.022  -6.412  -4.844
  233   2HA   GLY  39          3HA       GLY  39 -18.348  -7.165  -3.948
  234    H    GLU  40           H        GLU  40 -15.566  -9.250  -4.082
  235    HA   GLU  40           HA       GLU  40 -15.144  -8.896  -1.234
  236   1HB   GLU  40          2HB       GLU  40 -13.835 -10.601  -3.385
  237   2HB   GLU  40          3HB       GLU  40 -13.275 -10.620  -1.722
  238   1HG   GLU  40          2HG       GLU  40 -16.168 -11.204  -2.503
  239   2HG   GLU  40          3HG       GLU  40 -14.932 -12.454  -2.279
  240    H    LYS  41           H        LYS  41 -13.471  -8.022  -0.169
  241    HA   LYS  41           HA       LYS  41 -11.156  -6.849  -1.629
  242   1HB   LYS  41          2HB       LYS  41 -12.721  -5.333   0.485
  243   2HB   LYS  41          3HB       LYS  41 -11.361  -4.775  -0.501
  244   1HG   LYS  41          2HG       LYS  41 -12.912  -5.278  -2.556
  245   2HG   LYS  41          3HG       LYS  41 -14.207  -5.396  -1.351
  246   1HD   LYS  41          2HD       LYS  41 -14.382  -3.177  -1.937
  247   2HD   LYS  41          3HD       LYS  41 -13.292  -3.074  -0.542
  248   1HE   LYS  41          2HE       LYS  41 -11.343  -3.110  -2.193
  249   2HE   LYS  41          3HE       LYS  41 -12.533  -3.041  -3.509
  250   1HZ   LYS  41          2HZ       LYS  41 -13.307  -0.961  -2.524
  251   2HZ   LYS  41          3HZ       LYS  41 -12.117  -1.078  -1.378
  252   3HZ   LYS  41          1HZ       LYS  41 -11.717  -0.882  -2.963
  253    HA   PRO  42           HA       PRO  42 -10.279 -10.045   1.599
  254   1HB   PRO  42          2HB       PRO  42  -7.659  -9.734   0.130
  255   2HB   PRO  42          3HB       PRO  42  -8.372 -11.225   0.810
  256   1HG   PRO  42          2HG       PRO  42  -8.585 -10.611  -1.808
  257   2HG   PRO  42          3HG       PRO  42 -10.015 -11.279  -0.943
  258   1HD   PRO  42          2HD       PRO  42  -9.425  -8.466  -1.781
  259   2HD   PRO  42          3HD       PRO  42 -10.983  -9.323  -1.711
  260    H    PHE  43           H        PHE  43  -8.478  -6.999   1.151
  261    HA   PHE  43           HA       PHE  43  -7.131  -7.403   3.800
  262   1HB   PHE  43          2HB       PHE  43  -6.364  -5.779   1.370
  263   2HB   PHE  43          3HB       PHE  43  -5.583  -5.679   2.933
  264    HD1  PHE  43           HD1      PHE  43  -6.133  -7.927  -0.014
  265    HD2  PHE  43           HD2      PHE  43  -4.214  -7.492   3.833
  266    HE1  PHE  43           HE1      PHE  43  -4.705  -9.866  -0.505
  267    HE2  PHE  43           HE2      PHE  43  -2.817  -9.476   3.343
  268    HZ   PHE  43           HZ       PHE  43  -3.026 -10.644   1.162
  269    HA   PRO  44           HA       PRO  44 -10.191  -4.020   4.441
  270   1HB   PRO  44          2HB       PRO  44 -11.378  -4.818   6.733
  271   2HB   PRO  44          3HB       PRO  44 -11.793  -5.575   5.167
  272   1HG   PRO  44          2HG       PRO  44  -9.786  -6.610   7.213
  273   2HG   PRO  44          3HG       PRO  44 -11.139  -7.509   6.465
  274   1HD   PRO  44          2HD       PRO  44  -8.599  -7.641   5.490
  275   2HD   PRO  44          3HD       PRO  44 -10.026  -7.628   4.405
  276    H    CYS  45           H        CYS  45 -10.071  -2.271   5.886
  277    HA   CYS  45           HA       CYS  45  -7.599  -2.127   7.566
  278   1HB   CYS  45          2HB       CYS  45  -8.094  -0.341   5.847
  279   2HB   CYS  45          3HB       CYS  45  -9.592  -0.017   6.701
  280    H    LYS  46           H        LYS  46  -8.576  -3.635   9.194
  281    HA   LYS  46           HA       LYS  46 -11.165  -3.009  10.315
  282   1HB   LYS  46          2HB       LYS  46  -8.980  -4.933  11.110
  283   2HB   LYS  46          3HB       LYS  46 -10.496  -4.817  12.006
  284   1HG   LYS  46          2HG       LYS  46 -10.476  -5.299   9.011
  285   2HG   LYS  46          3HG       LYS  46 -10.353  -6.614  10.191
  286   1HD   LYS  46          2HD       LYS  46 -12.480  -5.926  11.241
  287   2HD   LYS  46          3HD       LYS  46 -12.659  -4.605  10.077
  288   1HE   LYS  46          2HE       LYS  46 -12.747  -6.215   8.214
  289   2HE   LYS  46          3HE       LYS  46 -12.543  -7.562   9.352
  290   1HZ   LYS  46          3HZ       LYS  46 -14.773  -5.645   9.366
  291   2HZ   LYS  46          1HZ       LYS  46 -14.831  -7.180   8.762
  292   3HZ   LYS  46          2HZ       LYS  46 -14.594  -6.934  10.375
  293    H    GLU  47           H        GLU  47 -10.106  -0.636  10.540
  294    HA   GLU  47           HA       GLU  47  -9.345  -0.204  13.387
  295   1HB   GLU  47          2HB       GLU  47  -9.442   1.643  10.963
  296   2HB   GLU  47          3HB       GLU  47  -9.070   2.155  12.621
  297   1HG   GLU  47          2HG       GLU  47  -7.172   0.460  12.627
  298   2HG   GLU  47          3HG       GLU  47  -7.452   0.230  10.893
  299    H    GLU  48           H        GLU  48 -10.611   1.381  14.582
  300    HA   GLU  48           HA       GLU  48 -13.443   0.994  14.356
  301   1HB   GLU  48          2HB       GLU  48 -11.824   3.093  15.886
  302   2HB   GLU  48          3HB       GLU  48 -13.551   2.798  16.061
  303   1HG   GLU  48          2HG       GLU  48 -12.508   1.678  17.874
  304   2HG   GLU  48          3HG       GLU  48 -13.069   0.432  16.756
  305    H    GLY  49           H        GLY  49 -14.899   2.112  13.096
  306   1HA   GLY  49          2HA       GLY  49 -15.838   3.806  11.860
  307   2HA   GLY  49          3HA       GLY  49 -14.510   4.882  12.307
  308    H    CYS  50           H        CYS  50 -12.282   3.843  11.279
  309    HA   CYS  50           HA       CYS  50 -12.605   4.214   8.402
  310   1HB   CYS  50          2HB       CYS  50 -10.811   5.242   9.680
  311   2HB   CYS  50          3HB       CYS  50 -10.185   3.671  10.160
  312    H    GLU  51           H        GLU  51 -14.087   2.017   8.876
  313    HA   GLU  51           HA       GLU  51 -12.560  -0.437   8.529
  314   1HB   GLU  51          2HB       GLU  51 -14.674  -0.237   9.855
  315   2HB   GLU  51          3HB       GLU  51 -15.551  -0.076   8.317
  316   1HG   GLU  51          2HG       GLU  51 -14.668  -2.280   7.596
  317   2HG   GLU  51          3HG       GLU  51 -13.680  -2.373   9.063
  318    H    LYS  52           H        LYS  52 -11.449   0.661   6.678
  319    HA   LYS  52           HA       LYS  52 -12.867   0.768   4.120
  320   1HB   LYS  52          2HB       LYS  52  -9.873   0.572   4.579
  321   2HB   LYS  52          3HB       LYS  52 -10.686   1.124   3.128
  322   1HG   LYS  52          2HG       LYS  52 -10.733   2.540   5.840
  323   2HG   LYS  52          3HG       LYS  52  -9.707   2.952   4.474
  324   1HD   LYS  52          2HD       LYS  52 -11.721   3.423   3.082
  325   2HD   LYS  52          3HD       LYS  52 -12.759   3.068   4.482
  326   1HE   LYS  52          2HE       LYS  52 -11.723   4.900   5.759
  327   2HE   LYS  52          3HE       LYS  52 -10.611   5.238   4.420
  328   1HZ   LYS  52          2HZ       LYS  52 -13.533   5.466   4.299
  329   2HZ   LYS  52          1HZ       LYS  52 -12.466   6.715   4.431
  330   3HZ   LYS  52          3HZ       LYS  52 -12.483   5.794   3.068
  331    H    GLY  53           H        GLY  53 -12.046  -0.543   2.236
  332   1HA   GLY  53          2HA       GLY  53 -11.466  -3.407   2.869
  333   2HA   GLY  53          3HA       GLY  53 -12.751  -2.902   1.781
  334    H    PHE  54           H        PHE  54  -9.402  -3.613   1.969
  335    HA   PHE  54           HA       PHE  54  -8.933  -2.385  -0.716
  336   1HB   PHE  54          2HB       PHE  54  -7.037  -2.847   1.580
  337   2HB   PHE  54          3HB       PHE  54  -6.499  -2.618  -0.068
  338    HD1  PHE  54           HD2      PHE  54  -6.969  -0.491  -1.305
  339    HD2  PHE  54           HD1      PHE  54  -8.145  -0.959   2.810
  340    HE1  PHE  54           HE2      PHE  54  -7.104   1.942  -1.081
  341    HE2  PHE  54           HE1      PHE  54  -8.381   1.502   2.997
  342    HZ   PHE  54           HZ       PHE  54  -8.007   2.944   1.017
  343    H    THR  55           H        THR  55  -7.898  -3.665  -2.318
  344    HA   THR  55           HA       THR  55  -8.562  -6.493  -2.120
  345    HB   THR  55           HB       THR  55  -7.736  -6.224  -4.596
  346    HG1  THR  55          1HG       THR  55  -8.032  -3.935  -5.164
  347   1HG2  THR  55          2HG2      THR  55 -10.194  -4.739  -3.554
  348   2HG2  THR  55          3HG2      THR  55  -9.942  -5.278  -5.224
  349   3HG2  THR  55          1HG2      THR  55 -10.109  -6.471  -3.926
  350    H    SER  56           H        SER  56  -5.650  -4.714  -1.493
  351    HA   SER  56           HA       SER  56  -4.205  -7.269  -1.506
  352   1HB   SER  56          2HB       SER  56  -2.551  -6.742  -2.981
  353   2HB   SER  56          3HB       SER  56  -3.916  -5.954  -3.769
  354    HG   SER  56           HG       SER  56  -2.283  -4.466  -3.681
  355    H    LEU  57           H        LEU  57  -2.195  -7.114  -0.305
  356    HA   LEU  57           HA       LEU  57  -2.513  -5.678   2.120
  357   1HB   LEU  57          2HB       LEU  57  -1.247  -7.798   1.936
  358   2HB   LEU  57          3HB       LEU  57  -0.053  -7.017   0.898
  359    HG   LEU  57           HG       LEU  57   0.657  -5.571   2.747
  360   1HD1  LEU  57          2HD1      LEU  57  -1.500  -7.004   4.360
  361   2HD1  LEU  57          3HD1      LEU  57  -0.207  -6.013   5.065
  362   3HD1  LEU  57          1HD1      LEU  57  -1.409  -5.259   4.019
  363   1HD2  LEU  57          1HD2      LEU  57   1.704  -7.772   2.466
  364   2HD2  LEU  57          2HD2      LEU  57   1.638  -7.317   4.178
  365   3HD2  LEU  57          3HD2      LEU  57   0.488  -8.509   3.534
  366    H    HIS  58           H        HIS  58  -0.561  -5.139  -0.827
  367    HA   HIS  58           HA       HIS  58   0.778  -2.829   0.228
  368   1HB   HIS  58          2HB       HIS  58   1.500  -2.433  -2.070
  369   2HB   HIS  58          3HB       HIS  58   1.827  -4.064  -1.438
  370    HD1  HIS  58           HD1      HIS  58   0.770  -6.092  -2.642
  371    HD2  HIS  58           HD2      HIS  58  -0.177  -2.303  -4.166
  372    HE1  HIS  58           HE1      HIS  58  -0.287  -6.481  -4.898
  373    H    HIS  59           H        HIS  59  -2.256  -3.257  -1.691
  374    HA   HIS  59           HA       HIS  59  -2.753  -0.480  -2.091
  375   1HB   HIS  59          2HB       HIS  59  -4.794  -2.666  -1.630
  376   2HB   HIS  59          3HB       HIS  59  -5.083  -1.050  -2.300
  377    HD1  HIS  59           HD1      HIS  59  -5.891  -3.599  -3.997
  378    HD2  HIS  59           HD2      HIS  59  -2.277  -1.418  -4.239
  379    HE1  HIS  59           HE1      HIS  59  -4.857  -4.131  -6.271
  380    HE2  HIS  59           HE2      HIS  59  -2.665  -2.825  -6.418
  381    H    LEU  60           H        LEU  60  -3.586  -2.726   0.590
  382    HA   LEU  60           HA       LEU  60  -4.839  -0.806   2.246
  383   1HB   LEU  60          2HB       LEU  60  -4.947  -3.282   2.558
  384   2HB   LEU  60          3HB       LEU  60  -3.257  -3.287   3.056
  385    HG   LEU  60           HG       LEU  60  -3.823  -1.839   5.005
  386   1HD1  LEU  60          3HD1      LEU  60  -6.689  -2.283   4.044
  387   2HD1  LEU  60          1HD1      LEU  60  -6.222  -1.659   5.640
  388   3HD1  LEU  60          2HD1      LEU  60  -5.865  -0.712   4.193
  389   1HD2  LEU  60          2HD2      LEU  60  -3.762  -4.332   5.165
  390   2HD2  LEU  60          3HD2      LEU  60  -4.898  -3.589   6.306
  391   3HD2  LEU  60          1HD2      LEU  60  -5.511  -4.367   4.837
  392    H    THR  61           H        THR  61  -1.401  -1.743   1.932
  393    HA   THR  61           HA       THR  61  -0.414  -0.211   4.096
  394    HB   THR  61           HB       THR  61   1.052  -0.955   1.551
  395    HG1  THR  61          1HG       THR  61   0.099  -2.717   2.785
  396   1HG2  THR  61          2HG2      THR  61   2.067  -0.245   4.333
  397   2HG2  THR  61          3HG2      THR  61   3.057  -0.871   3.001
  398   3HG2  THR  61          1HG2      THR  61   2.299   0.724   2.860
  399    H    ARG  62           H        ARG  62  -0.599   0.694   0.567
  400    HA   ARG  62           HA       ARG  62   0.476   3.278   0.961
  401   1HB   ARG  62          2HB       ARG  62  -0.527   3.982  -1.118
  402   2HB   ARG  62          3HB       ARG  62   0.360   2.455  -1.239
  403   1HG   ARG  62          2HG       ARG  62  -1.690   1.203  -1.255
  404   2HG   ARG  62          3HG       ARG  62  -2.677   2.656  -1.008
  405   1HD   ARG  62          2HD       ARG  62  -1.895   3.530  -3.219
  406   2HD   ARG  62          3HD       ARG  62  -0.837   2.116  -3.364
  407    HE   ARG  62           HE       ARG  62  -2.563   0.978  -4.278
  408   1HH1  ARG  62          2HH1      ARG  62  -3.974   3.572  -2.331
  409   2HH1  ARG  62          1HH1      ARG  62  -5.602   3.220  -2.862
  410   1HH2  ARG  62          2HH2      ARG  62  -4.730   0.451  -4.840
  411   2HH2  ARG  62          1HH2      ARG  62  -5.964   1.581  -4.396
  412    H    HIS  63           H        HIS  63  -2.881   2.115   1.325
  413    HA   HIS  63           HA       HIS  63  -4.034   4.693   1.899
  414   1HB   HIS  63          2HB       HIS  63  -5.483   2.946   1.355
  415   2HB   HIS  63          3HB       HIS  63  -4.790   1.817   2.513
  416    HD1  HIS  63           HD1      HIS  63  -6.834   5.121   2.677
  417    HD2  HIS  63           HD2      HIS  63  -5.790   1.726   4.937
  418    HE1  HIS  63           HE1      HIS  63  -8.063   5.307   4.882
  419    H    SER  64           H        SER  64  -2.680   2.135   4.028
  420    HA   SER  64           HA       SER  64  -3.121   3.351   6.494
  421   1HB   SER  64          2HB       SER  64  -0.698   1.669   5.740
  422   2HB   SER  64          3HB       SER  64  -1.311   1.986   7.367
  423    HG   SER  64           HG       SER  64  -2.764   0.670   5.296
  424    H    LEU  65           H        LEU  65  -0.612   4.173   4.109
  425    HA   LEU  65           HA       LEU  65   1.153   5.652   5.695
  426   1HB   LEU  65          2HB       LEU  65   0.170   6.502   2.959
  427   2HB   LEU  65          3HB       LEU  65   1.656   7.020   3.747
  428    HG   LEU  65           HG       LEU  65   1.049   4.198   2.841
  429   1HD1  LEU  65          3HD1      LEU  65   2.859   6.355   1.709
  430   2HD1  LEU  65          1HD1      LEU  65   2.757   4.682   1.103
  431   3HD1  LEU  65          2HD1      LEU  65   1.352   5.761   0.982
  432   1HD2  LEU  65          1HD2      LEU  65   2.622   4.202   4.776
  433   2HD2  LEU  65          2HD2      LEU  65   3.386   3.681   3.273
  434   3HD2  LEU  65          3HD2      LEU  65   3.679   5.318   3.874
  435    H    THR  66           H        THR  66  -2.150   6.531   4.700
  436    HA   THR  66           HA       THR  66  -1.952   9.324   5.315
  437    HB   THR  66           HB       THR  66  -4.369   9.320   5.318
  438    HG1  THR  66          1HG       THR  66  -4.279   6.496   5.106
  439   1HG2  THR  66          1HG2      THR  66  -3.212   9.200   3.118
  440   2HG2  THR  66          2HG2      THR  66  -3.369   7.435   3.120
  441   3HG2  THR  66          3HG2      THR  66  -4.818   8.450   3.089
  442    H    HIS  67           H        HIS  67  -2.414   6.465   7.335
  443    HA   HIS  67           HA       HIS  67  -3.455   7.912   9.646
  444   1HB   HIS  67          2HB       HIS  67  -2.276   5.106   9.406
  445   2HB   HIS  67          3HB       HIS  67  -3.193   5.741  10.762
  446    HD1  HIS  67           HD1      HIS  67  -5.045   7.005   7.922
  447    HD2  HIS  67           HD2      HIS  67  -4.372   3.195   9.567
  448    HE1  HIS  67           HE1      HIS  67  -6.950   5.549   7.137
  449    H    THR  68           H        THR  68  -0.349   6.357   8.687
  450    HA   THR  68           HA       THR  68   1.064   7.212  11.060
  451    HB   THR  68           HB       THR  68   3.024   6.428   9.590
  452    HG1  THR  68          1HG       THR  68   2.390   5.421   7.673
  453   1HG2  THR  68          1HG2      THR  68   0.625   4.545   9.911
  454   2HG2  THR  68          2HG2      THR  68   2.313   4.049   9.672
  455   3HG2  THR  68          3HG2      THR  68   1.839   4.893  11.159
  456    H    GLY  69           H        GLY  69   0.305   8.639   7.940
  457   1HA   GLY  69          2HA       GLY  69   0.546  10.809   7.230
  458   2HA   GLY  69          3HA       GLY  69   1.429  11.226   8.713
  459    H    GLU  70           H        GLU  70   2.158   8.485   6.574
  460    HA   GLU  70           HA       GLU  70   4.938   9.409   6.291
  461   1HB   GLU  70          2HB       GLU  70   3.486   6.904   5.461
  462   2HB   GLU  70          3HB       GLU  70   5.187   7.232   5.053
  463   1HG   GLU  70          2HG       GLU  70   5.833   7.410   7.351
  464   2HG   GLU  70          3HG       GLU  70   4.161   7.261   7.894
  465    H    LYS  71           H        LYS  71   3.724  11.353   5.242
  466    HA   LYS  71           HA       LYS  71   3.332  11.168   2.326
  467   1HB   LYS  71          2HB       LYS  71   2.117  12.725   3.945
  468   2HB   LYS  71          3HB       LYS  71   3.636  13.561   4.185
  469   1HG   LYS  71          2HG       LYS  71   3.719  14.188   1.850
  470   2HG   LYS  71          3HG       LYS  71   2.269  13.251   1.456
  471   1HD   LYS  71          2HD       LYS  71   2.158  15.326   3.658
  472   2HD   LYS  71          3HD       LYS  71   2.183  15.867   1.970
  473   1HE   LYS  71          2HE       LYS  71  -0.103  15.775   2.707
  474   2HE   LYS  71          3HE       LYS  71   0.163  14.519   1.489
  475   1HZ   LYS  71          3HZ       LYS  71   0.107  14.076   4.388
  476   2HZ   LYS  71          1HZ       LYS  71  -1.138  13.769   3.354
  477   3HZ   LYS  71          2HZ       LYS  71   0.263  12.916   3.226
  478    H    ASN  72           H        ASN  72   5.444  10.031   2.121
  479    HA   ASN  72           HA       ASN  72   7.849  11.807   2.520
  480   1HB   ASN  72          2HB       ASN  72   7.710   8.795   2.660
  481   2HB   ASN  72          3HB       ASN  72   9.086   9.823   3.069
  482   1HD2  ASN  72          1HD2      ASN  72   6.833  10.936   6.037
  483   2HD2  ASN  72          2HD2      ASN  72   7.087  11.795   4.527
  484    H    PHE  73           H        PHE  73   6.106  10.472  -0.101
  485    HA   PHE  73           HA       PHE  73   8.506   9.654  -1.571
  486   1HB   PHE  73          2HB       PHE  73   5.656  10.133  -2.488
  487   2HB   PHE  73          3HB       PHE  73   6.973   9.594  -3.522
  488    HD1  PHE  73           HD2      PHE  73   8.354   7.530  -2.740
  489    HD2  PHE  73           HD1      PHE  73   4.544   8.547  -1.040
  490    HE1  PHE  73           HE2      PHE  73   8.242   5.317  -1.663
  491    HE2  PHE  73           HE1      PHE  73   4.339   6.271  -0.109
  492    HZ   PHE  73           HZ       PHE  73   6.208   4.648  -0.375
  493    H    THR  74           H        THR  74   9.807  11.329  -1.269
  494    HA   THR  74           HA       THR  74   9.227  14.063  -1.883
  495    HB   THR  74           HB       THR  74  11.861  12.665  -1.405
  496    HG1  THR  74          1HG       THR  74  10.254  12.354   0.265
  497   1HG2  THR  74          2HG2      THR  74  12.112  14.970  -2.304
  498   2HG2  THR  74          3HG2      THR  74  11.025  15.581  -1.034
  499   3HG2  THR  74          1HG2      THR  74  12.598  14.878  -0.610
  500    H    CYS  75           H        CYS  75   9.087  14.941  -3.832
  501    HA   CYS  75           HA       CYS  75   9.965  13.792  -6.297
  502   1HB   CYS  75          2HB       CYS  75   8.278  15.411  -6.410
  503   2HB   CYS  75          3HB       CYS  75   9.140  16.553  -5.364
  504    H    ASP  76           H        ASP  76  12.047  13.464  -6.865
  505    HA   ASP  76           HA       ASP  76  14.233  14.716  -5.449
  506   1HB   ASP  76          2HB       ASP  76  14.342  12.403  -6.189
  507   2HB   ASP  76          3HB       ASP  76  14.185  12.902  -7.887
  508    H    SER  77           H        SER  77  13.393  16.924  -5.981
  509    HA   SER  77           HA       SER  77  14.944  18.036  -8.242
  510   1HB   SER  77          2HB       SER  77  12.639  17.684  -9.134
  511   2HB   SER  77          3HB       SER  77  11.987  18.646  -7.795
  512    HG   SER  77           HG       SER  77  13.209  20.421  -8.599
  513    H    ASP  78           H        ASP  78  16.214  19.516  -7.243
  514    HA   ASP  78           HA       ASP  78  15.999  20.343  -4.593
  515   1HB   ASP  78          2HB       ASP  78  17.237  21.849  -6.942
  516   2HB   ASP  78          3HB       ASP  78  17.552  22.176  -5.232
  517    H    GLY  79           H        GLY  79  14.970  22.020  -3.525
  518   1HA   GLY  79          2HA       GLY  79  13.659  23.909  -3.212
  519   2HA   GLY  79          3HA       GLY  79  13.569  24.179  -4.962
  520    H    CYS  80           H        CYS  80  12.486  22.078  -6.074
  521    HA   CYS  80           HA       CYS  80   9.747  21.922  -5.012
  522   1HB   CYS  80          2HB       CYS  80  10.195  22.225  -7.408
  523   2HB   CYS  80          3HB       CYS  80  11.041  20.685  -7.464
  524    H    ASP  81           H        ASP  81  11.340  20.864  -3.082
  525    HA   ASP  81           HA       ASP  81  11.502  17.926  -3.381
  526   1HB   ASP  81          2HB       ASP  81  12.067  19.734  -1.016
  527   2HB   ASP  81          3HB       ASP  81  12.375  17.995  -1.091
  528    H    LEU  82           H        LEU  82   9.002  18.559  -3.955
  529    HA   LEU  82           HA       LEU  82   7.220  18.736  -1.670
  530   1HB   LEU  82          2HB       LEU  82   6.806  18.004  -4.588
  531   2HB   LEU  82          3HB       LEU  82   5.478  18.126  -3.424
  532    HG   LEU  82           HG       LEU  82   7.363  20.402  -4.182
  533   1HD1  LEU  82          1HD1      LEU  82   5.923  19.653  -6.069
  534   2HD1  LEU  82          2HD1      LEU  82   4.490  19.825  -5.034
  535   3HD1  LEU  82          3HD1      LEU  82   5.444  21.254  -5.484
  536   1HD2  LEU  82          1HD2      LEU  82   4.781  20.353  -2.546
  537   2HD2  LEU  82          2HD2      LEU  82   6.402  20.778  -1.948
  538   3HD2  LEU  82          3HD2      LEU  82   5.592  21.824  -3.115
  539    H    ARG  83           H        ARG  83   6.447  17.098  -0.424
  540    HA   ARG  83           HA       ARG  83   7.256  14.322  -1.092
  541   1HB   ARG  83          2HB       ARG  83   6.172  15.314   1.544
  542   2HB   ARG  83          3HB       ARG  83   7.012  13.801   1.152
  543   1HG   ARG  83          2HG       ARG  83   9.033  15.282   0.489
  544   2HG   ARG  83          3HG       ARG  83   8.166  16.609   1.279
  545   1HD   ARG  83          2HD       ARG  83   7.961  15.030   3.318
  546   2HD   ARG  83          3HD       ARG  83   9.179  14.021   2.531
  547    HE   ARG  83           HE       ARG  83   9.503  16.616   3.836
  548   1HH1  ARG  83          2HH2      ARG  83  11.017  14.429   1.435
  549   2HH1  ARG  83          1HH2      ARG  83  12.615  15.019   1.775
  550   1HH2  ARG  83          2HH1      ARG  83  11.587  17.409   4.164
  551   2HH2  ARG  83          1HH1      ARG  83  12.945  16.761   3.285
  552    H    PHE  84           H        PHE  84   5.795  12.990  -1.916
  553    HA   PHE  84           HA       PHE  84   2.915  13.717  -1.783
  554   1HB   PHE  84          2HB       PHE  84   4.413  11.879  -3.665
  555   2HB   PHE  84          3HB       PHE  84   2.693  12.211  -3.725
  556    HD1  PHE  84           HD1      PHE  84   6.072  13.779  -4.177
  557    HD2  PHE  84           HD2      PHE  84   1.821  14.208  -4.788
  558    HE1  PHE  84           HE1      PHE  84   6.447  15.917  -5.300
  559    HE2  PHE  84           HE2      PHE  84   2.251  16.285  -6.061
  560    HZ   PHE  84           HZ       PHE  84   4.527  17.253  -6.136
  561    H    THR  85           H        THR  85   1.345  11.950  -1.605
  562    HA   THR  85           HA       THR  85   1.867  10.260   0.658
  563    HB   THR  85           HB       THR  85  -0.501   9.458  -0.061
  564    HG1  THR  85          1HG       THR  85  -1.479  10.950  -1.509
  565   1HG2  THR  85          2HG2      THR  85  -0.022  11.161   1.720
  566   2HG2  THR  85          3HG2      THR  85  -0.100  12.433   0.476
  567   3HG2  THR  85          1HG2      THR  85  -1.534  11.451   0.853
  568    H    THR  86           H        THR  86   1.669   9.643  -2.880
  569    HA   THR  86           HA       THR  86   2.667   6.883  -2.319
  570    HB   THR  86           HB       THR  86   1.253   5.991  -4.025
  571    HG1  THR  86          1HG       THR  86  -0.414   7.570  -4.865
  572   1HG2  THR  86          2HG2      THR  86   0.259   6.275  -1.722
  573   2HG2  THR  86          3HG2      THR  86  -0.541   7.752  -2.304
  574   3HG2  THR  86          1HG2      THR  86  -0.930   6.185  -3.037
  575    H    LYS  87           H        LYS  87   3.912   5.955  -3.999
  576    HA   LYS  87           HA       LYS  87   5.765   7.669  -5.253
  577   1HB   LYS  87          2HB       LYS  87   4.894   4.825  -5.972
  578   2HB   LYS  87          3HB       LYS  87   6.269   5.676  -6.700
  579   1HG   LYS  87          2HG       LYS  87   7.350   5.887  -4.517
  580   2HG   LYS  87          3HG       LYS  87   6.001   5.017  -3.736
  581   1HD   LYS  87          2HD       LYS  87   6.429   3.066  -5.192
  582   2HD   LYS  87          3HD       LYS  87   7.747   3.951  -5.993
  583   1HE   LYS  87          2HE       LYS  87   7.725   3.251  -3.020
  584   2HE   LYS  87          3HE       LYS  87   8.476   2.256  -4.272
  585   1HZ   LYS  87          2HZ       LYS  87   9.859   4.100  -4.864
  586   2HZ   LYS  87          3HZ       LYS  87   9.219   5.021  -3.655
  587   3HZ   LYS  87          1HZ       LYS  87  10.080   3.655  -3.297
  588    H    ALA  88           H        ALA  88   2.782   6.077  -6.485
  589    HA   ALA  88           HA       ALA  88   3.096   7.060  -9.132
  590   1HB   ALA  88          2HB       ALA  88   1.796   5.176  -8.601
  591   2HB   ALA  88          3HB       ALA  88   0.567   6.158  -7.743
  592   3HB   ALA  88          1HB       ALA  88   0.823   6.362  -9.503
  593    H    ASN  89           H        ASN  89   1.494   8.562  -6.239
  594    HA   ASN  89           HA       ASN  89   0.413  10.770  -7.747
  595   1HB   ASN  89          2HB       ASN  89   1.235  10.517  -4.828
  596   2HB   ASN  89          3HB       ASN  89   0.522  11.980  -5.523
  597   1HD2  ASN  89          1HD2      ASN  89  -2.297  10.034  -4.028
  598   2HD2  ASN  89          2HD2      ASN  89  -0.805  10.728  -3.397
  599    H    MET  90           H        MET  90   3.591  10.242  -6.166
  600    HA   MET  90           HA       MET  90   4.773  12.746  -6.851
  601   1HB   MET  90          2HB       MET  90   5.819  11.248  -5.254
  602   2HB   MET  90          3HB       MET  90   5.942   9.975  -6.445
  603   1HG   MET  90          2HG       MET  90   7.554  11.431  -7.748
  604   2HG   MET  90          3HG       MET  90   7.494  12.555  -6.385
  605   1HE   MET  90          2HE       MET  90   8.499   8.974  -7.680
  606   2HE   MET  90          1HE       MET  90   9.325   8.277  -6.261
  607   3HE   MET  90          3HE       MET  90   7.578   8.468  -6.248
  608    H    LYS  91           H        LYS  91   4.654   9.646  -8.678
  609    HA   LYS  91           HA       LYS  91   6.101  10.567 -10.962
  610   1HB   LYS  91          2HB       LYS  91   3.926   8.456 -10.765
  611   2HB   LYS  91          3HB       LYS  91   4.925   8.728 -12.183
  612   1HG   LYS  91          2HG       LYS  91   6.037   7.897  -9.461
  613   2HG   LYS  91          3HG       LYS  91   5.652   6.816 -10.803
  614   1HD   LYS  91          2HD       LYS  91   7.306   8.228 -12.199
  615   2HD   LYS  91          3HD       LYS  91   7.805   8.960 -10.651
  616   1HE   LYS  91          2HE       LYS  91   8.310   6.690  -9.758
  617   2HE   LYS  91          3HE       LYS  91   7.826   5.974 -11.309
  618   1HZ   LYS  91          3HZ       LYS  91   9.590   7.192 -12.352
  619   2HZ   LYS  91          1HZ       LYS  91  10.050   7.846 -10.909
  620   3HZ   LYS  91          2HZ       LYS  91  10.172   6.220 -11.155
  621    H    LYS  92           H        LYS  92   2.529  10.573 -10.386
  622    HA   LYS  92           HA       LYS  92   1.842  11.770 -12.851
  623   1HB   LYS  92          2HB       LYS  92   0.490  12.043 -10.139
  624   2HB   LYS  92          3HB       LYS  92  -0.152  12.673 -11.665
  625   1HG   LYS  92          2HG       LYS  92   0.143  10.246 -12.580
  626   2HG   LYS  92          3HG       LYS  92   0.234   9.782 -10.871
  627   1HD   LYS  92          2HD       LYS  92  -2.059  11.403 -12.021
  628   2HD   LYS  92          3HD       LYS  92  -2.060   9.632 -11.973
  629   1HE   LYS  92          2HE       LYS  92  -1.571  11.321  -9.505
  630   2HE   LYS  92          3HE       LYS  92  -3.200  10.827 -10.024
  631   1HZ   LYS  92          3HZ       LYS  92  -0.970   9.027  -9.366
  632   2HZ   LYS  92          1HZ       LYS  92  -2.266   9.347  -8.404
  633   3HZ   LYS  92          2HZ       LYS  92  -2.479   8.555  -9.844
  634    H    HIS  93           H        HIS  93   2.687  13.347  -9.709
  635    HA   HIS  93           HA       HIS  93   2.492  16.024 -10.629
  636   1HB   HIS  93          2HB       HIS  93   2.822  15.818  -8.350
  637   2HB   HIS  93          3HB       HIS  93   4.145  14.666  -8.505
  638    HD1  HIS  93           HD1      HIS  93   3.596  18.458  -9.190
  639    HD2  HIS  93           HD2      HIS  93   6.591  15.569  -8.540
  640    HE1  HIS  93           HE1      HIS  93   5.809  19.717  -8.989
  641    H    PHE  94           H        PHE  94   5.356  13.835 -10.697
  642    HA   PHE  94           HA       PHE  94   7.076  15.666 -11.959
  643   1HB   PHE  94          2HB       PHE  94   7.597  13.398 -10.881
  644   2HB   PHE  94          3HB       PHE  94   7.165  12.665 -12.420
  645    HD1  PHE  94           HD2      PHE  94   8.559  13.206 -14.485
  646    HD2  PHE  94           HD1      PHE  94   9.662  14.589 -10.545
  647    HE1  PHE  94           HE2      PHE  94  10.836  13.741 -15.302
  648    HE2  PHE  94           HE1      PHE  94  11.929  15.136 -11.374
  649    HZ   PHE  94           HZ       PHE  94  12.525  14.701 -13.750
  650    H    ASN  95           H        ASN  95   4.910  13.277 -13.388
  651    HA   ASN  95           HA       ASN  95   5.479  13.640 -16.137
  652   1HB   ASN  95          2HB       ASN  95   3.154  12.540 -14.583
  653   2HB   ASN  95          3HB       ASN  95   2.995  12.826 -16.321
  654   1HD2  ASN  95          1HD2      ASN  95   5.272   9.704 -14.998
  655   2HD2  ASN  95          2HD2      ASN  95   4.624  10.890 -13.863
  656    H    ARG  96           H        ARG  96   3.285  15.344 -13.911
  657    HA   ARG  96           HA       ARG  96   2.063  16.968 -15.985
  658   1HB   ARG  96          2HB       ARG  96   0.947  16.171 -13.888
  659   2HB   ARG  96          3HB       ARG  96   1.989  17.246 -12.958
  660   1HG   ARG  96          2HG       ARG  96   1.035  19.162 -14.377
  661   2HG   ARG  96          3HG       ARG  96  -0.118  17.995 -15.034
  662   1HD   ARG  96          2HD       ARG  96   0.204  18.798 -12.102
  663   2HD   ARG  96          3HD       ARG  96  -1.045  19.349 -13.194
  664    HE   ARG  96           HE       ARG  96  -2.068  17.231 -13.266
  665   1HH1  ARG  96          2HH1      ARG  96   0.565  17.206 -10.906
  666   2HH1  ARG  96          1HH1      ARG  96  -0.287  16.197  -9.775
  667   1HH2  ARG  96          2HH2      ARG  96  -3.227  16.019 -11.732
  668   2HH2  ARG  96          1HH2      ARG  96  -2.567  15.668 -10.162
  669    H    PHE  97           H        PHE  97   4.686  17.421 -13.604
  670    HA   PHE  97           HA       PHE  97   5.006  20.277 -14.339
  671   1HB   PHE  97          2HB       PHE  97   5.997  18.559 -12.061
  672   2HB   PHE  97          3HB       PHE  97   6.782  20.073 -12.462
  673    HD1  PHE  97           HD1      PHE  97   3.191  18.958 -12.131
  674    HD2  PHE  97           HD2      PHE  97   6.230  21.825 -11.059
  675    HE1  PHE  97           HE1      PHE  97   1.544  20.236 -10.821
  676    HE2  PHE  97           HE2      PHE  97   4.607  22.987  -9.599
  677    HZ   PHE  97           HZ       PHE  97   2.261  22.166  -9.440
  678    H    HIS  98           H        HIS  98   7.472  17.785 -13.581
  679    HA   HIS  98           HA       HIS  98   9.446  19.332 -14.980
  680   1HB   HIS  98          2HB       HIS  98   9.571  16.559 -13.769
  681   2HB   HIS  98          3HB       HIS  98  10.968  17.524 -14.271
  682    HD1  HIS  98           HD1      HIS  98  11.039  20.070 -12.912
  683    HD2  HIS  98           HD2      HIS  98   8.770  16.920 -11.290
  684    HE1  HIS  98           HE1      HIS  98  10.539  20.689 -10.485
  685    H    ASN  99           H        ASN  99   7.516  16.516 -15.873
  686    HA   ASN  99           HA       ASN  99   9.121  15.842 -18.228
  687   1HB   ASN  99          2HB       ASN  99   7.696  14.128 -17.469
  688   2HB   ASN  99          3HB       ASN  99   6.379  15.274 -17.203
  689   1HD2  ASN  99          1HD2      ASN  99   4.862  14.684 -20.288
  690   2HD2  ASN  99          2HD2      ASN  99   4.731  15.268 -18.629
  691    H    ILE 100           H        ILE 100   6.522  18.161 -17.451
  692    HA   ILE 100           HA       ILE 100   6.608  19.218 -20.242
  693    HB   ILE 100           HB       ILE 100   4.711  20.130 -18.072
  694   1HG1  ILE 100          2HG1      ILE 100   4.385  17.725 -19.916
  695   2HG1  ILE 100          3HG1      ILE 100   4.346  17.755 -18.144
  696   1HG2  ILE 100          1HG2      ILE 100   5.019  21.437 -20.260
  697   2HG2  ILE 100          2HG2      ILE 100   4.415  20.009 -21.110
  698   3HG2  ILE 100          3HG2      ILE 100   3.379  20.883 -19.959
  699   1HD1  ILE 100          3HD1      ILE 100   2.285  19.193 -18.257
  700   2HD1  ILE 100          1HD1      ILE 100   2.243  18.884 -20.011
  701   3HD1  ILE 100          2HD1      ILE 100   2.105  17.537 -18.872
  702    H    LYS 101           H        LYS 101   8.889  19.334 -18.447
  703    HA   LYS 101           HA       LYS 101  10.378  20.727 -17.526
  704   1HB   LYS 101          2HB       LYS 101   9.117  22.877 -19.267
  705   2HB   LYS 101          3HB       LYS 101  10.755  22.856 -18.624
  706   1HG   LYS 101          2HG       LYS 101   9.554  21.013 -20.738
  707   2HG   LYS 101          3HG       LYS 101  10.777  22.254 -20.982
  708   1HD   LYS 101          2HD       LYS 101  11.136  19.642 -19.426
  709   2HD   LYS 101          3HD       LYS 101  11.758  20.018 -21.032
  710   1HE   LYS 101          2HE       LYS 101  13.137  21.871 -20.068
  711   2HE   LYS 101          3HE       LYS 101  12.574  21.426 -18.444
  712   1HZ   LYS 101          2HZ       LYS 101  13.537  19.275 -18.755
  713   2HZ   LYS 101          3HZ       LYS 101  14.074  19.683 -20.259
  714   3HZ   LYS 101          1HZ       LYS 101  14.673  20.455 -18.933
  715   1H5*    T   1          1H5*        T   1  -4.519  24.334 -16.035
  716   2H5*    T   1          2H5*        T   1  -2.917  23.588 -16.254
  717    H4*    T   1           H4*        T   1  -3.441  24.486 -13.899
  718    H3*    T   1           H3*        T   1  -2.196  21.949 -14.597
  719   1H2*    T   1          1H2*        T   1  -3.816  20.704 -13.492
  720   2H2*    T   1          2H2*        T   1  -2.902  21.138 -12.025
  721    H1*    T   1           H1*        T   1  -4.260  23.141 -11.710
  722    H3     T   1           H3         T   1  -7.518  21.097  -9.236
  723   1H5M    T   1          1H5M        T   1  -9.316  20.294 -13.876
  724   2H5M    T   1          2H5M        T   1  -7.976  19.189 -14.260
  725   3H5M    T   1          3H5M        T   1  -9.118  18.784 -12.967
  726    H6     T   1           H6         T   1  -6.294  20.902 -13.876
  727    H5T    T   1           H5T        T   1  -5.241  22.181 -15.493
  728   1H5*    T   2          1H5*        T   2  -1.621  23.186 -10.211
  729   2H5*    T   2          2H5*        T   2   0.030  22.834  -9.672
  730    H4*    T   2           H4*        T   2  -1.487  21.930  -8.051
  731    H3*    T   2           H3*        T   2  -0.309  19.779  -9.832
  732   1H2*    T   2          1H2*        T   2  -1.810  18.323  -9.150
  733   2H2*    T   2          2H2*        T   2  -1.595  18.730  -7.420
  734    H1*    T   2           H1*        T   2  -3.197  20.374  -7.468
  735    H3     T   2           H3         T   2  -7.062  18.049  -7.824
  736   1H5M    T   2          1H5M        T   2  -4.786  18.196 -12.762
  737   2H5M    T   2          2H5M        T   2  -5.284  16.583 -12.192
  738   3H5M    T   2          3H5M        T   2  -6.501  17.817 -12.517
  739    H6     T   2           H6         T   2  -3.499  18.971 -10.909
  740   1H5*    G   3          1H5*        G   3   0.224  19.762  -5.246
  741   2H5*    G   3          2H5*        G   3   1.596  18.782  -4.695
  742    H4*    G   3           H4*        G   3  -0.550  18.494  -3.431
  743    H3*    G   3           H3*        G   3   1.228  16.491  -3.887
  744   1H2*    G   3          1H2*        G   3   0.038  15.739  -5.929
  745   2H2*    G   3          2H2*        G   3  -0.618  14.612  -4.708
  746    H1*    G   3           H1*        G   3  -2.435  16.125  -4.197
  747    H8     G   3           H8         G   3  -1.186  15.773  -7.872
  748    H1     G   3           H1         G   3  -7.508  15.069  -6.941
  749   1H2     G   3           H21        G   3  -7.919  15.334  -4.669
  750   2H2     G   3           H22        G   3  -6.618  15.816  -3.606
  751   1H5*    G   4          1H5*        G   4  -2.131  16.581  -0.829
  752   2H5*    G   4          2H5*        G   4  -1.564  15.853   0.682
  753    H4*    G   4           H4*        G   4  -4.007  15.859   0.581
  754    H3*    G   4           H3*        G   4  -2.511  13.594   1.177
  755   1H2*    G   4          1H2*        G   4  -2.713  12.599  -0.967
  756   2H2*    G   4          2H2*        G   4  -4.158  11.876  -0.218
  757    H1*    G   4           H1*        G   4  -5.579  13.564  -1.116
  758    H8     G   4           H8         G   4  -2.295  13.596  -3.269
  759    H1     G   4           H1         G   4  -7.585  11.718  -6.384
  760   1H2     G   4           H21        G   4  -9.254  11.366  -4.813
  761   2H2     G   4           H22        G   4  -9.017  11.914  -3.166
  762   1H5*    A   5          1H5*        A   5  -7.086  12.753   1.115
  763   2H5*    A   5          2H5*        A   5  -7.546  11.722   2.487
  764    H4*    A   5           H4*        A   5  -8.640  10.960   0.443
  765    H3*    A   5           H3*        A   5  -6.928   9.225   2.018
  766   1H2*    A   5          1H2*        A   5  -5.474   8.884   0.227
  767   2H2*    A   5          2H2*        A   5  -6.665   7.634  -0.222
  768    H1*    A   5           H1*        A   5  -7.922   9.266  -1.558
  769    H8     A   5           H8         A   5  -4.059   9.899  -1.456
  770   1H6     A   5           H61        A   5  -4.379   9.199  -7.589
  771   2H6     A   5           H62        A   5  -3.293   9.500  -6.245
  772    H2     A   5           H2         A   5  -8.420   8.462  -5.935
  773   1H5*    T   6          1H5*        T   6 -10.499   7.492  -0.670
  774   2H5*    T   6          2H5*        T   6 -11.128   6.013   0.088
  775    H4*    T   6           H4*        T   6 -11.062   5.877  -2.395
  776    H3*    T   6           H3*        T   6  -9.875   3.895  -0.626
  777   1H2*    T   6          1H2*        T   6  -7.795   4.203  -1.446
  778   2H2*    T   6          2H2*        T   6  -8.333   3.093  -2.725
  779    H1*    T   6           H1*        T   6  -9.134   4.976  -4.089
  780    H3     T   6           H3         T   6  -5.316   5.862  -6.372
  781   1H5M    T   6          1H5M        T   6  -4.273   6.760  -1.118
  782   2H5M    T   6          2H5M        T   6  -3.213   5.527  -1.832
  783   3H5M    T   6          3H5M        T   6  -3.143   7.197  -2.411
  784    H6     T   6           H6         T   6  -6.430   5.865  -1.701
  785   1H5*    G   7          1H5*        G   7 -12.658   2.530  -4.551
  786   2H5*    G   7          2H5*        G   7 -13.232   0.914  -4.099
  787    H4*    G   7           H4*        G   7 -13.031   1.074  -6.515
  788    H3*    G   7           H3*        G   7 -11.788  -1.000  -5.078
  789   1H2*    G   7          1H2*        G   7  -9.652  -0.190  -5.204
  790   2H2*    G   7          2H2*        G   7  -9.609  -1.078  -6.734
  791    H1*    G   7           H1*        G   7 -10.097   0.868  -8.029
  792    H8     G   7           H8         G   7  -9.028   2.022  -4.489
  793    H1     G   7           H1         G   7  -4.499   2.875  -8.959
  794   1H2     G   7           H21        G   7  -5.328   2.288 -10.994
  795   2H2     G   7           H22        G   7  -6.962   1.667 -11.123
  796   1H5*    G   8          1H5*        G   8 -10.972  -1.156  -9.513
  797   2H5*    G   8          2H5*        G   8 -11.182  -2.785 -10.185
  798    H4*    G   8           H4*        G   8  -9.170  -1.792 -11.080
  799    H3*    G   8           H3*        G   8  -9.053  -4.277  -9.547
  800   1H2*    G   8          1H2*        G   8  -7.602  -3.285  -8.012
  801   2H2*    G   8          2H2*        G   8  -6.352  -3.760  -9.175
  802    H1*    G   8           H1*        G   8  -6.608  -1.593 -10.359
  803    H8     G   8           H8         G   8  -7.285  -1.315  -6.547
  804    H1     G   8           H1         G   8  -1.409   0.585  -8.345
  805   1H2     G   8           H21        G   8  -1.173   0.161 -10.620
  806   2H2     G   8           H22        G   8  -2.525  -0.500 -11.528
  807   1H5*    G   9          1H5*        G   9  -5.753  -2.599 -12.679
  808   2H5*    G   9          2H5*        G   9  -5.949  -3.948 -13.809
  809    H4*    G   9           H4*        G   9  -3.813  -3.037 -14.236
  810    H3*    G   9           H3*        G   9  -4.147  -5.740 -13.598
  811   1H2*    G   9          1H2*        G   9  -3.383  -5.407 -11.310
  812   2H2*    G   9          2H2*        G   9  -1.910  -5.948 -12.148
  813    H1*    G   9           H1*        G   9  -1.211  -3.662 -12.416
  814    H8     G   9           H8         G   9  -3.770  -3.873  -9.447
  815    H1     G   9           H1         G   9   2.001  -1.507  -7.912
  816   1H2     G   9           H21        G   9   3.363  -1.627  -9.816
  817   2H2     G   9           H22        G   9   2.696  -2.207 -11.330
  818   1H5*    A  10          1H5*        A  10   0.473  -4.604 -14.991
  819   2H5*    A  10          2H5*        A  10   0.942  -6.036 -15.934
  820    H4*    A  10           H4*        A  10   2.823  -5.288 -14.606
  821    H3*    A  10           H3*        A  10   1.599  -7.960 -14.004
  822   1H2*    A  10          1H2*        A  10   2.046  -7.787 -11.818
  823   2H2*    A  10          2H2*        A  10   3.781  -7.727 -12.157
  824    H1*    A  10           H1*        A  10   3.833  -5.355 -12.215
  825    H8     A  10           H8         A  10   0.444  -6.250 -10.611
  826   1H6     A  10           H61        A  10   2.538  -3.744  -5.424
  827   2H6     A  10           H62        A  10   1.164  -4.427  -6.254
  828    H2     A  10           H2         A  10   5.903  -3.745  -8.397
  829   1H5*    G  11          1H5*        G  11   5.747  -6.634 -14.241
  830   2H5*    G  11          2H5*        G  11   6.992  -7.721 -14.880
  831    H4*    G  11           H4*        G  11   7.664  -6.218 -12.950
  832    H3*    G  11           H3*        G  11   8.515  -8.820 -13.392
  833   1H2*    G  11          1H2*        G  11   6.898  -9.787 -11.907
  834   2H2*    G  11          2H2*        G  11   8.286  -9.629 -10.801
  835    H1*    G  11           H1*        G  11   7.530  -7.459 -10.048
  836    H8     G  11           H8         G  11   4.684  -9.957 -11.074
  837    H1     G  11           H1         G  11   4.173  -7.279  -5.231
  838   1H2     G  11           H21        G  11   5.808  -5.805  -4.976
  839   2H2     G  11           H22        G  11   6.901  -5.408  -6.278
  840   1H5*    A  12          1H5*        A  12  11.136  -5.558 -11.211
  841   2H5*    A  12          2H5*        A  12  12.865  -5.949 -11.274
  842    H4*    A  12           H4*        A  12  12.188  -4.600  -9.287
  843    H3*    A  12           H3*        A  12  13.990  -6.669  -9.138
  844   1H2*    A  12          1H2*        A  12  12.373  -8.334  -8.581
  845   2H2*    A  12          2H2*        A  12  12.919  -7.896  -6.952
  846    H1*    A  12           H1*        A  12  11.133  -6.333  -6.645
  847    H8     A  12           H8         A  12  10.200  -9.015  -9.354
  848   1H6     A  12           H61        A  12   5.737 -10.709  -5.528
  849   2H6     A  12           H62        A  12   6.631 -11.046  -7.006
  850    H2     A  12           H2         A  12   8.009  -7.378  -3.560
  851   1H5*    C  13          1H5*        C  13  12.559  -5.169  -4.942
  852   2H5*    C  13          2H5*        C  13  13.876  -5.086  -3.755
  853    H4*    C  13           H4*        C  13  11.768  -6.122  -2.889
  854    H3*    C  13           H3*        C  13  14.400  -7.490  -2.765
  855   1H2*    C  13          1H2*        C  13  13.474  -9.507  -3.336
  856   2H2*    C  13          2H2*        C  13  12.661  -9.489  -1.747
  857    H1*    C  13           H1*        C  13  10.734  -8.366  -2.634
  858   1H4     C  13           H41        C  13   9.474 -12.969  -7.289
  859   2H4     C  13           H42        C  13   8.307 -13.158  -5.994
  860    H5     C  13           H5         C  13  11.417 -11.426  -7.073
  861    H6     C  13           H6         C  13  12.398  -9.716  -5.675
  862   1H5*    C  14          1H5*        C  14  11.275  -8.163   0.631
  863   2H5*    C  14          2H5*        C  14  12.052  -8.392   2.213
  864    H4*    C  14           H4*        C  14  10.290 -10.091   1.733
  865    H3*    C  14           H3*        C  14  13.118 -10.924   2.217
  866   1H2*    C  14          1H2*        C  14  12.925 -12.704   0.833
  867   2H2*    C  14          2H2*        C  14  11.608 -13.350   1.845
  868    H1*    C  14           H1*        C  14   9.917 -12.309   0.612
  869   1H4     C  14           H41        C  14  12.253 -14.124  -5.386
  870   2H4     C  14           H42        C  14  10.786 -15.039  -5.073
  871    H5     C  14           H5         C  14  13.215 -12.603  -3.698
  872    H6     C  14           H6         C  14  12.873 -11.681  -1.460
  873   1H5*    G  15          1H5*        G  15   9.668 -13.447   3.903
  874   2H5*    G  15          2H5*        G  15  10.080 -14.228   5.444
  875    H4*    G  15           H4*        G  15   9.050 -15.817   3.879
  876    H3*    G  15           H3*        G  15  11.785 -16.285   4.920
  877   1H2*    G  15          1H2*        G  15  12.569 -16.873   2.843
  878   2H2*    G  15          2H2*        G  15  11.627 -18.379   3.049
  879    H1*    G  15           H1*        G  15   9.695 -17.400   1.973
  880    H8     G  15           H8         G  15  13.016 -15.700   0.773
  881    H1     G  15           H1         G  15   9.591 -18.574  -3.850
  882   1H2     G  15           H21        G  15   7.722 -19.533  -2.886
  883   2H2     G  15           H22        G  15   7.459 -19.399  -1.160
  884    H3T    G  15           H3T        G  15  10.804 -18.276   5.346
  885   1H5*    C  16          1H5*        C  16   6.605 -25.042  -8.617
  886   2H5*    C  16          2H5*        C  16   5.081 -24.624  -9.439
  887    H4*    C  16           H4*        C  16   5.337 -23.779  -7.009
  888    H3*    C  16           H3*        C  16   4.577 -22.115  -9.367
  889   1H2*    C  16          1H2*        C  16   5.610 -20.292  -8.576
  890   2H2*    C  16          2H2*        C  16   4.570 -20.299  -7.129
  891    H1*    C  16           H1*        C  16   6.083 -21.636  -5.897
  892   1H4     C  16           H41        C  16  11.324 -17.709  -7.394
  893   2H4     C  16           H42        C  16  11.053 -17.578  -5.669
  894    H5     C  16           H5         C  16   9.871 -19.033  -8.858
  895    H6     C  16           H6         C  16   7.978 -20.516  -8.909
  896    H5T    C  16           H5T        C  16   7.389 -23.004  -9.507
  897   1H5*    G  17          1H5*        G  17   2.518 -21.744  -5.244
  898   2H5*    G  17          2H5*        G  17   0.833 -21.200  -5.361
  899    H4*    G  17           H4*        G  17   2.069 -20.082  -3.548
  900    H3*    G  17           H3*        G  17   0.515 -18.663  -5.478
  901   1H2*    G  17          1H2*        G  17   2.502 -17.746  -6.447
  902   2H2*    G  17          2H2*        G  17   2.147 -16.473  -5.253
  903    H1*    G  17           H1*        G  17   3.517 -17.689  -3.554
  904    H8     G  17           H8         G  17   4.729 -17.816  -7.237
  905    H1     G  17           H1         G  17   8.936 -15.302  -3.109
  906   1H2     G  17           H21        G  17   8.048 -15.461  -0.970
  907   2H2     G  17           H22        G  17   6.468 -16.173  -0.726
  908   1H5*    G  18          1H5*        G  18   0.735 -17.734  -0.871
  909   2H5*    G  18          2H5*        G  18  -0.655 -16.786  -0.321
  910    H4*    G  18           H4*        G  18   1.365 -16.489   1.085
  911    H3*    G  18           H3*        G  18  -0.246 -14.386   0.312
  912   1H2*    G  18          1H2*        G  18   1.083 -13.814  -1.575
  913   2H2*    G  18          2H2*        G  18   1.764 -12.693  -0.377
  914    H1*    G  18           H1*        G  18   3.563 -14.198   0.161
  915    H8     G  18           H8         G  18   2.223 -15.246  -3.343
  916    H1     G  18           H1         G  18   7.868 -12.218  -3.517
  917   1H2     G  18           H21        G  18   8.318 -11.407  -1.389
  918   2H2     G  18           H22        G  18   7.383 -12.000  -0.022
  919   1H5*    T  19          1H5*        T  19   3.772 -13.370   2.710
  920   2H5*    T  19          2H5*        T  19   3.237 -12.372   4.075
  921    H4*    T  19           H4*        T  19   5.522 -11.819   3.414
  922    H3*    T  19           H3*        T  19   3.510  -9.914   3.859
  923   1H2*    T  19          1H2*        T  19   3.178  -9.495   1.560
  924   2H2*    T  19          2H2*        T  19   4.395  -8.250   1.891
  925    H1*    T  19           H1*        T  19   6.215  -9.737   1.259
  926    H3     T  19           H3         T  19   6.279  -9.355  -3.325
  927   1H5M    T  19          1H5M        T  19   1.879 -10.603  -3.659
  928   2H5M    T  19          2H5M        T  19   2.139 -12.158  -2.889
  929   3H5M    T  19          3H5M        T  19   1.304 -10.858  -1.994
  930    H6     T  19           H6         T  19   2.983 -10.848  -0.183
  931   1H5*    C  20          1H5*        C  20   7.588  -8.112   2.737
  932   2H5*    C  20          2H5*        C  20   7.984  -6.568   3.518
  933    H4*    C  20           H4*        C  20   8.253  -6.665   0.999
  934    H3*    C  20           H3*        C  20   6.633  -4.556   2.367
  935   1H2*    C  20          1H2*        C  20   5.184  -4.431   0.608
  936   2H2*    C  20          2H2*        C  20   6.551  -3.950  -0.433
  937    H1*    C  20           H1*        C  20   7.083  -6.172  -1.007
  938   1H4     C  20           H41        C  20   1.324  -8.351  -3.310
  939   2H4     C  20           H42        C  20   2.314  -7.980  -4.693
  940    H5     C  20           H5         C  20   1.879  -7.617  -1.017
  941    H6     C  20           H6         C  20   3.662  -6.746   0.355
  942   1H5*    T  21          1H5*        T  21  10.545  -3.650  -0.451
  943   2H5*    T  21          2H5*        T  21  11.069  -1.979  -0.173
  944    H4*    T  21           H4*        T  21  11.385  -2.843  -2.521
  945    H3*    T  21           H3*        T  21  10.519  -0.250  -1.865
  946   1H2*    T  21          1H2*        T  21   8.308  -0.609  -2.283
  947   2H2*    T  21          2H2*        T  21   8.729  -0.126  -3.925
  948    H1*    T  21           H1*        T  21   9.129  -2.366  -4.659
  949    H3     T  21           H3         T  21   4.862  -3.647  -5.675
  950   1H5M    T  21          1H5M        T  21   3.583  -1.573  -1.519
  951   2H5M    T  21          2H5M        T  21   3.843  -3.227  -0.928
  952   3H5M    T  21          3H5M        T  21   4.968  -1.936  -0.481
  953    H6     T  21           H6         T  21   6.940  -2.088  -1.640
  954   1H5*    C  22          1H5*        C  22  10.612  -1.010  -6.444
  955   2H5*    C  22          2H5*        C  22  11.092   0.424  -7.372
  956    H4*    C  22           H4*        C  22   9.067  -0.612  -8.275
  957    H3*    C  22           H3*        C  22   8.641   2.079  -6.972
  958   1H2*    C  22          1H2*        C  22   6.408   1.807  -7.166
  959   2H2*    C  22          2H2*        C  22   6.506   1.105  -8.807
  960    H1*    C  22           H1*        C  22   6.800  -1.038  -8.113
  961   1H4     C  22           H41        C  22   1.728  -0.375  -3.798
  962   2H4     C  22           H42        C  22   1.076  -0.864  -5.356
  963    H5     C  22           H5         C  22   4.148   0.155  -3.525
  964    H6     C  22           H6         C  22   6.298   0.161  -4.656
  965   1H5*    C  23          1H5*        C  23   7.106   1.533 -11.230
  966   2H5*    C  23          2H5*        C  23   6.931   3.086 -12.079
  967    H4*    C  23           H4*        C  23   4.950   1.619 -12.253
  968    H3*    C  23           H3*        C  23   4.586   4.251 -10.802
  969   1H2*    C  23          1H2*        C  23   2.405   3.700 -10.471
  970   2H2*    C  23          2H2*        C  23   2.252   2.771 -12.000
  971    H1*    C  23           H1*        C  23   2.851   0.821 -11.103
  972   1H4     C  23           H41        C  23   0.370   2.315  -5.055
  973   2H4     C  23           H42        C  23  -0.886   1.440  -5.915
  974    H5     C  23           H5         C  23   2.518   2.886  -6.080
  975    H6     C  23           H6         C  23   3.796   2.764  -8.133
  976   1H5*    C  24          1H5*        C  24   2.399   2.697 -14.333
  977   2H5*    C  24          2H5*        C  24   2.245   3.940 -15.586
  978    H4*    C  24           H4*        C  24   0.311   2.445 -15.596
  979    H3*    C  24           H3*        C  24   0.212   5.281 -15.506
  980   1H2*    C  24          1H2*        C  24  -0.654   5.384 -13.365
  981   2H2*    C  24          2H2*        C  24  -2.209   5.225 -14.226
  982    H1*    C  24           H1*        C  24  -2.241   2.831 -13.869
  983   1H4     C  24           H41        C  24  -1.206   3.544  -7.283
  984   2H4     C  24           H42        C  24  -2.919   3.306  -7.421
  985    H5     C  24           H5         C  24   0.230   3.899  -9.159
  986    H6     C  24           H6         C  24   0.381   3.999 -11.564
  987   1H5*    A  25          1H5*        A  25  -3.871   3.416 -16.096
  988   2H5*    A  25          2H5*        A  25  -4.813   4.231 -17.367
  989    H4*    A  25           H4*        A  25  -6.125   3.961 -15.288
  990    H3*    A  25           H3*        A  25  -5.484   6.680 -16.372
  991   1H2*    A  25          1H2*        A  25  -5.304   7.594 -14.318
  992   2H2*    A  25          2H2*        A  25  -7.014   7.183 -14.020
  993    H1*    A  25           H1*        A  25  -6.494   5.155 -12.984
  994    H8     A  25           H8         A  25  -3.074   7.060 -13.047
  995   1H6     A  25           H61        A  25  -3.222   6.492  -6.884
  996   2H6     A  25           H62        A  25  -2.259   6.920  -8.292
  997    H2     A  25           H2         A  25  -7.177   5.167  -8.501
  998   1H5*    T  26          1H5*        T  26  -9.309   5.021 -14.721
  999   2H5*    T  26          2H5*        T  26 -10.838   5.711 -15.306
 1000    H4*    T  26           H4*        T  26 -10.780   5.240 -12.833
 1001    H3*    T  26           H3*        T  26 -11.444   7.868 -14.026
 1002   1H2*    T  26          1H2*        T  26 -10.242   9.039 -12.496
 1003   2H2*    T  26          2H2*        T  26 -11.407   8.502 -11.260
 1004    H1*    T  26           H1*        T  26 -10.114   6.606 -10.670
 1005    H3     T  26           H3         T  26  -6.956   8.575  -7.996
 1006   1H5M    T  26          1H5M        T  26  -5.815   9.841 -13.165
 1007   2H5M    T  26          2H5M        T  26  -5.430  10.968 -11.848
 1008   3H5M    T  26          3H5M        T  26  -4.508   9.470 -12.021
 1009    H6     T  26           H6         T  26  -7.810   8.719 -12.710
 1010   1H5*    C  27          1H5*        C  27 -13.226   6.463 -10.116
 1011   2H5*    C  27          2H5*        C  27 -14.925   6.920  -9.861
 1012    H4*    C  27           H4*        C  27 -13.535   7.311  -7.850
 1013    H3*    C  27           H3*        C  27 -15.119   9.406  -9.142
 1014   1H2*    C  27          1H2*        C  27 -13.330  10.845  -9.291
 1015   2H2*    C  27          2H2*        C  27 -13.599  11.133  -7.557
 1016    H1*    C  27           H1*        C  27 -12.075   9.347  -6.946
 1017   1H4     C  27           H41        C  27  -7.063  12.381 -10.252
 1018   2H4     C  27           H42        C  27  -6.577  12.206  -8.587
 1019    H5     C  27           H5         C  27  -9.243  11.552 -11.082
 1020    H6     C  27           H6         C  27 -11.335  10.558 -10.418
 1021   1H5*    C  28          1H5*        C  28 -14.062   9.899  -4.677
 1022   2H5*    C  28          2H5*        C  28 -15.334  10.742  -3.765
 1023    H4*    C  28           H4*        C  28 -13.131  11.732  -3.328
 1024    H3*    C  28           H3*        C  28 -15.068  13.433  -4.922
 1025   1H2*    C  28          1H2*        C  28 -13.425  14.855  -5.482
 1026   2H2*    C  28          2H2*        C  28 -12.730  14.878  -3.835
 1027    H1*    C  28           H1*        C  28 -11.322  13.135  -4.181
 1028   1H4     C  28           H41        C  28  -9.389  14.716 -10.382
 1029   2H4     C  28           H42        C  28  -8.060  15.100  -9.314
 1030    H5     C  28           H5         C  28 -11.582  13.935  -9.558
 1031    H6     C  28           H6         C  28 -12.828  13.339  -7.554
 1032   1H5*    A  29          1H5*        A  29 -13.073  14.617  -1.031
 1033   2H5*    A  29          2H5*        A  29 -14.076  15.666  -0.009
 1034    H4*    A  29           H4*        A  29 -11.650  16.245  -0.015
 1035    H3*    A  29           H3*        A  29 -13.752  18.095  -0.129
 1036   1H2*    A  29          1H2*        A  29 -13.528  18.471  -2.444
 1037   2H2*    A  29          2H2*        A  29 -12.449  19.757  -1.860
 1038    H1*    A  29           H1*        A  29 -10.501  18.335  -2.052
 1039    H8     A  29           H8         A  29 -13.429  17.656  -4.537
 1040   1H6     A  29           H61        A  29  -9.113  17.637  -8.965
 1041   2H6     A  29           H62        A  29 -10.823  17.506  -8.574
 1042    H2     A  29           H2         A  29  -7.086  18.446  -5.044
 1043   1H5*    A  30          1H5*        A  30  -9.206  19.362   0.590
 1044   2H5*    A  30          2H5*        A  30  -9.160  20.748   1.698
 1045    H4*    A  30           H4*        A  30  -7.318  20.807   0.066
 1046    H3*    A  30           H3*        A  30  -9.069  23.019   0.572
 1047   1H2*    A  30          1H2*        A  30 -10.058  22.939  -1.553
 1048   2H2*    A  30          2H2*        A  30  -8.647  23.959  -1.966
 1049    H1*    A  30           H1*        A  30  -7.359  22.004  -2.629
 1050    H8     A  30           H8         A  30 -11.203  21.372  -3.034
 1051   1H6     A  30           H61        A  30  -9.957  20.562  -9.009
 1052   2H6     A  30           H62        A  30 -11.195  20.657  -7.758
 1053    H2     A  30           H2         A  30  -6.129  21.660  -6.952
 1054    H3T    A  30           H3T        A  30  -6.536  22.851  -0.720
   
  No H/Q in entry =        1054
  Start of MODEL   16
    1    H    MET   1           H        MET   1   5.071 -20.536 -11.474
    2    HA   MET   1           HA       MET   1   4.190 -20.837 -14.278
    3   1HB   MET   1          2HB       MET   1   4.699 -22.881 -12.063
    4   2HB   MET   1          3HB       MET   1   4.223 -23.261 -13.726
    5   1HG   MET   1          2HG       MET   1   6.291 -22.247 -14.584
    6   2HG   MET   1          3HG       MET   1   6.753 -21.749 -12.953
    7   1HE   MET   1          2HE       MET   1   6.247 -24.787 -15.377
    8   2HE   MET   1          3HE       MET   1   6.764 -26.150 -14.357
    9   3HE   MET   1          1HE       MET   1   5.241 -25.313 -14.000
   10    H    LYS  11           H        LYS  11   3.024 -21.502 -10.971
   11    HA   LYS  11           HA       LYS  11   0.319 -22.150 -11.846
   12   1HB   LYS  11          2HB       LYS  11   1.371 -23.137  -9.820
   13   2HB   LYS  11          3HB       LYS  11   1.436 -21.521  -9.085
   14   1HG   LYS  11          2HG       LYS  11  -1.017 -21.390  -9.054
   15   2HG   LYS  11          3HG       LYS  11  -1.133 -22.891  -9.980
   16   1HD   LYS  11          2HD       LYS  11  -1.604 -23.329  -7.634
   17   2HD   LYS  11          3HD       LYS  11  -0.137 -24.170  -8.139
   18   1HE   LYS  11          2HE       LYS  11   0.112 -23.188  -5.899
   19   2HE   LYS  11          3HE       LYS  11   1.264 -22.458  -7.019
   20   1HZ   LYS  11          1HZ       LYS  11  -1.308 -21.273  -6.226
   21   2HZ   LYS  11          2HZ       LYS  11   0.166 -20.862  -5.616
   22   3HZ   LYS  11          3HZ       LYS  11  -0.173 -20.571  -7.197
   23    H    ARG  12           H        ARG  12  -1.499 -20.740 -11.757
   24    HA   ARG  12           HA       ARG  12  -1.088 -17.955 -10.873
   25   1HB   ARG  12          2HB       ARG  12  -2.132 -18.911 -13.562
   26   2HB   ARG  12          3HB       ARG  12  -2.724 -17.430 -12.809
   27   1HG   ARG  12          2HG       ARG  12  -1.067 -16.599 -14.154
   28   2HG   ARG  12          3HG       ARG  12  -0.284 -16.704 -12.572
   29   1HD   ARG  12          2HD       ARG  12   0.683 -18.912 -13.310
   30   2HD   ARG  12          3HD       ARG  12   0.036 -18.616 -14.909
   31    HE   ARG  12           HE       ARG  12   1.614 -16.955 -15.283
   32   1HH1  ARG  12          1HH2      ARG  12   1.888 -18.059 -11.878
   33   2HH1  ARG  12          2HH2      ARG  12   3.487 -17.418 -11.702
   34   1HH2  ARG  12          1HH1      ARG  12   3.674 -16.088 -14.974
   35   2HH2  ARG  12          2HH1      ARG  12   4.500 -16.257 -13.449
   36    H    TYR  13           H        TYR  13  -3.074 -17.084 -10.028
   37    HA   TYR  13           HA       TYR  13  -5.109 -19.091  -9.229
   38   1HB   TYR  13          2HB       TYR  13  -5.015 -16.087  -8.700
   39   2HB   TYR  13          3HB       TYR  13  -6.167 -17.246  -8.053
   40    HD1  TYR  13           HD1      TYR  13  -2.564 -16.264  -8.034
   41    HD2  TYR  13           HD2      TYR  13  -5.676 -18.529  -6.087
   42    HE1  TYR  13           HE1      TYR  13  -1.061 -16.700  -6.140
   43    HE2  TYR  13           HE2      TYR  13  -4.202 -18.867  -4.129
   44    HH   TYR  13           HH       TYR  13  -2.169 -18.363  -3.154
   45    H    ILE  14           H        ILE  14  -7.041 -19.268 -10.366
   46    HA   ILE  14           HA       ILE  14  -7.334 -17.591 -12.806
   47    HB   ILE  14           HB       ILE  14  -8.291 -20.427 -12.310
   48   1HG1  ILE  14          2HG1      ILE  14  -5.812 -19.235 -13.595
   49   2HG1  ILE  14          3HG1      ILE  14  -5.912 -20.507 -12.369
   50   1HG2  ILE  14          1HG2      ILE  14  -9.658 -19.135 -13.964
   51   2HG2  ILE  14          2HG2      ILE  14  -8.167 -18.754 -14.855
   52   3HG2  ILE  14          3HG2      ILE  14  -8.753 -20.427 -14.723
   53   1HD1  ILE  14          3HD1      ILE  14  -6.929 -22.000 -14.146
   54   2HD1  ILE  14          1HD1      ILE  14  -6.547 -20.709 -15.327
   55   3HD1  ILE  14          2HD1      ILE  14  -5.247 -21.499 -14.429
   56    H    CYS  15           H        CYS  15  -9.260 -16.729 -13.338
   57    HA   CYS  15           HA       CYS  15 -11.024 -15.920 -11.240
   58   1HB   CYS  15          2HB       CYS  15 -10.566 -14.495 -13.057
   59   2HB   CYS  15          3HB       CYS  15 -11.029 -15.713 -14.251
   60    H    SER  16           H        SER  16 -12.518 -17.145 -10.264
   61    HA   SER  16           HA       SER  16 -13.355 -19.623 -10.715
   62   1HB   SER  16          2HB       SER  16 -15.272 -17.485  -9.728
   63   2HB   SER  16          3HB       SER  16 -15.007 -19.128  -9.107
   64    HG   SER  16           HG       SER  16 -13.967 -17.563  -7.785
   65    H    PHE  17           H        PHE  17 -14.773 -16.724 -12.193
   66    HA   PHE  17           HA       PHE  17 -16.988 -18.082 -13.483
   67   1HB   PHE  17          2HB       PHE  17 -15.795 -15.349 -14.038
   68   2HB   PHE  17          3HB       PHE  17 -17.383 -15.924 -14.514
   69    HD1  PHE  17           HD2      PHE  17 -19.140 -16.374 -12.738
   70    HD2  PHE  17           HD1      PHE  17 -15.372 -14.491 -11.795
   71    HE1  PHE  17           HE2      PHE  17 -19.999 -15.754 -10.497
   72    HE2  PHE  17           HE1      PHE  17 -16.188 -14.009  -9.514
   73    HZ   PHE  17           HZ       PHE  17 -18.522 -14.596  -8.872
   74    H    ALA  18           H        ALA  18 -15.300 -19.731 -14.205
   75    HA   ALA  18           HA       ALA  18 -13.340 -19.997 -15.751
   76   1HB   ALA  18          3HB       ALA  18 -14.883 -21.826 -15.315
   77   2HB   ALA  18          1HB       ALA  18 -16.008 -21.226 -16.551
   78   3HB   ALA  18          2HB       ALA  18 -14.403 -21.827 -17.022
   79    H    ASP  19           H        ASP  19 -16.323 -19.250 -17.600
   80    HA   ASP  19           HA       ASP  19 -15.357 -18.971 -20.131
   81   1HB   ASP  19          2HB       ASP  19 -17.435 -17.179 -18.800
   82   2HB   ASP  19          3HB       ASP  19 -17.239 -17.432 -20.538
   83    H    CYS  20           H        CYS  20 -15.092 -16.536 -17.564
   84    HA   CYS  20           HA       CYS  20 -14.286 -14.290 -19.036
   85   1HB   CYS  20          2HB       CYS  20 -14.973 -14.453 -16.616
   86   2HB   CYS  20          3HB       CYS  20 -13.383 -15.155 -16.278
   87    H    GLY  21           H        GLY  21 -12.426 -17.134 -17.980
   88   1HA   GLY  21          2HA       GLY  21 -10.315 -17.847 -18.385
   89   2HA   GLY  21          3HA       GLY  21 -10.402 -16.901 -19.876
   90    H    ALA  22           H        ALA  22 -10.546 -15.354 -16.687
   91    HA   ALA  22           HA       ALA  22  -8.002 -13.946 -17.263
   92   1HB   ALA  22          2HB       ALA  22 -10.112 -13.498 -15.121
   93   2HB   ALA  22          3HB       ALA  22  -8.670 -12.499 -15.392
   94   3HB   ALA  22          1HB       ALA  22  -9.934 -12.594 -16.638
   95    H    ALA  23           H        ALA  23  -6.160 -14.133 -15.909
   96    HA   ALA  23           HA       ALA  23  -6.275 -15.750 -13.507
   97   1HB   ALA  23          1HB       ALA  23  -6.074 -17.479 -15.286
   98   2HB   ALA  23          2HB       ALA  23  -4.662 -16.631 -15.949
   99   3HB   ALA  23          3HB       ALA  23  -4.576 -17.369 -14.336
  100    H    TYR  24           H        TYR  24  -4.363 -15.396 -12.198
  101    HA   TYR  24           HA       TYR  24  -2.301 -13.558 -13.272
  102   1HB   TYR  24          2HB       TYR  24  -3.867 -12.859 -10.767
  103   2HB   TYR  24          3HB       TYR  24  -2.545 -11.969 -11.480
  104    HD1  TYR  24           HD2      TYR  24  -6.059 -13.025 -12.050
  105    HD2  TYR  24           HD1      TYR  24  -2.953 -10.315 -13.245
  106    HE1  TYR  24           HE2      TYR  24  -7.738 -11.612 -13.189
  107    HE2  TYR  24           HE1      TYR  24  -4.646  -8.786 -14.200
  108    HH   TYR  24           HH       TYR  24  -6.926  -8.315 -14.301
  109    H    ASN  25           H        ASN  25  -0.472 -13.320 -11.808
  110    HA   ASN  25           HA       ASN  25   0.204 -15.836 -10.524
  111   1HB   ASN  25          2HB       ASN  25   2.381 -14.857 -10.214
  112   2HB   ASN  25          3HB       ASN  25   1.835 -14.632 -11.880
  113   1HD2  ASN  25          1HD2      ASN  25   3.376 -11.444 -10.420
  114   2HD2  ASN  25          2HD2      ASN  25   3.915 -13.111 -10.384
  115    H    LYS  26           H        LYS  26  -0.124 -12.439  -9.341
  116    HA   LYS  26           HA       LYS  26   0.184 -13.376  -6.578
  117   1HB   LYS  26          2HB       LYS  26  -0.527 -10.640  -7.669
  118   2HB   LYS  26          3HB       LYS  26  -0.185 -11.052  -5.988
  119   1HG   LYS  26          2HG       LYS  26   1.799 -11.260  -8.295
  120   2HG   LYS  26          3HG       LYS  26   1.725  -9.980  -7.088
  121   1HD   LYS  26          2HD       LYS  26   2.033 -11.847  -5.306
  122   2HD   LYS  26          3HD       LYS  26   2.483 -12.898  -6.668
  123   1HE   LYS  26          2HE       LYS  26   4.256 -11.218  -7.299
  124   2HE   LYS  26          3HE       LYS  26   3.797 -10.259  -5.877
  125   1HZ   LYS  26          1HZ       LYS  26   4.361 -12.185  -4.523
  126   2HZ   LYS  26          2HZ       LYS  26   4.918 -12.967  -5.869
  127   3HZ   LYS  26          3HZ       LYS  26   5.646 -11.591  -5.346
  128    H    ASN  27           H        ASN  27  -1.375 -13.943  -5.212
  129    HA   ASN  27           HA       ASN  27  -4.014 -14.469  -5.893
  130   1HB   ASN  27          2HB       ASN  27  -2.914 -15.328  -3.847
  131   2HB   ASN  27          3HB       ASN  27  -2.907 -13.695  -3.163
  132   1HD2  ASN  27          1HD2      ASN  27  -6.450 -15.775  -3.302
  133   2HD2  ASN  27          2HD2      ASN  27  -5.114 -16.303  -4.312
  134    H    TRP  28           H        TRP  28  -2.747 -11.537  -4.269
  135    HA   TRP  28           HA       TRP  28  -5.165 -10.197  -3.847
  136   1HB   TRP  28          2HB       TRP  28  -3.853  -8.199  -3.638
  137   2HB   TRP  28          3HB       TRP  28  -3.119  -9.545  -2.788
  138    HD1  TRP  28           HD1      TRP  28  -0.656 -10.006  -3.284
  139    HE1  TRP  28           HE1      TRP  28   1.149  -8.996  -4.794
  140    HE3  TRP  28           HE3      TRP  28  -3.621  -7.020  -6.221
  141    HZ2  TRP  28           HZ2      TRP  28   1.277  -7.199  -7.064
  142    HZ3  TRP  28           HZ3      TRP  28  -2.635  -5.681  -8.019
  143    HH2  TRP  28           HH2      TRP  28  -0.189  -5.740  -8.452
  144    H    LYS  29           H        LYS  29  -3.203 -10.369  -6.794
  145    HA   LYS  29           HA       LYS  29  -4.517  -8.225  -8.187
  146   1HB   LYS  29          2HB       LYS  29  -2.235  -9.398  -8.498
  147   2HB   LYS  29          3HB       LYS  29  -3.110 -10.599  -9.456
  148   1HG   LYS  29          2HG       LYS  29  -3.858  -8.765 -10.965
  149   2HG   LYS  29          3HG       LYS  29  -2.982  -7.583  -9.982
  150   1HD   LYS  29          2HD       LYS  29  -1.647  -9.987 -11.313
  151   2HD   LYS  29          3HD       LYS  29  -1.761  -8.399 -12.064
  152   1HE   LYS  29          2HE       LYS  29  -0.399  -7.431 -10.236
  153   2HE   LYS  29          3HE       LYS  29  -0.324  -8.998  -9.424
  154   1HZ   LYS  29          3HZ       LYS  29   0.706  -8.504 -12.108
  155   2HZ   LYS  29          1HZ       LYS  29   1.606  -8.545 -10.723
  156   3HZ   LYS  29          2HZ       LYS  29   0.827  -9.905 -11.238
  157    H    LEU  30           H        LEU  30  -4.846 -11.781  -8.134
  158    HA   LEU  30           HA       LEU  30  -7.139 -11.817  -9.860
  159   1HB   LEU  30          2HB       LEU  30  -5.751 -13.698  -9.707
  160   2HB   LEU  30          3HB       LEU  30  -5.959 -13.862  -7.958
  161    HG   LEU  30           HG       LEU  30  -7.023 -15.517  -9.568
  162   1HD1  LEU  30          2HD1      LEU  30  -7.586 -15.459  -7.255
  163   2HD1  LEU  30          3HD1      LEU  30  -8.865 -14.250  -7.543
  164   3HD1  LEU  30          1HD1      LEU  30  -8.992 -15.880  -8.249
  165   1HD2  LEU  30          1HD2      LEU  30  -7.800 -13.947 -11.215
  166   2HD2  LEU  30          2HD2      LEU  30  -9.051 -15.063 -10.671
  167   3HD2  LEU  30          3HD2      LEU  30  -9.081 -13.381 -10.124
  168    H    GLN  31           H        GLN  31  -6.786 -11.406  -6.315
  169    HA   GLN  31           HA       GLN  31  -9.583 -11.671  -5.708
  170   1HB   GLN  31          2HB       GLN  31  -7.519  -9.877  -4.369
  171   2HB   GLN  31          3HB       GLN  31  -9.132 -10.203  -3.794
  172   1HG   GLN  31          2HG       GLN  31  -6.697 -11.899  -3.629
  173   2HG   GLN  31          3HG       GLN  31  -7.989 -11.668  -2.473
  174   1HE2  GLN  31          1HE2      GLN  31  -8.141 -14.736  -5.195
  175   2HE2  GLN  31          2HE2      GLN  31  -6.916 -13.467  -5.304
  176    H    ALA  32           H        ALA  32  -7.611  -8.788  -6.557
  177    HA   ALA  32           HA       ALA  32  -9.816  -6.971  -6.638
  178   1HB   ALA  32          2HB       ALA  32  -7.421  -6.272  -6.658
  179   2HB   ALA  32          3HB       ALA  32  -7.246  -6.971  -8.294
  180   3HB   ALA  32          1HB       ALA  32  -8.323  -5.577  -8.019
  181    H    HIS  33           H        HIS  33  -8.527  -9.134  -9.189
  182    HA   HIS  33           HA       HIS  33 -10.364  -8.226 -11.167
  183   1HB   HIS  33          2HB       HIS  33  -8.461  -9.676 -11.634
  184   2HB   HIS  33          3HB       HIS  33  -9.234 -11.007 -10.769
  185    HD1  HIS  33           HD1      HIS  33  -9.171  -9.389 -14.132
  186    HD2  HIS  33           HD2      HIS  33 -11.657 -11.922 -11.864
  187    HE1  HIS  33           HE1      HIS  33 -10.960 -10.302 -15.731
  188    H    LEU  34           H        LEU  34 -10.722 -10.959  -8.811
  189    HA   LEU  34           HA       LEU  34 -13.354 -11.654  -9.513
  190   1HB   LEU  34          2HB       LEU  34 -11.985 -11.835  -6.817
  191   2HB   LEU  34          3HB       LEU  34 -13.557 -12.536  -7.168
  192    HG   LEU  34           HG       LEU  34 -11.010 -13.316  -8.615
  193   1HD1  LEU  34          3HD1      LEU  34 -10.996 -13.976  -6.231
  194   2HD1  LEU  34          1HD1      LEU  34 -12.602 -14.713  -6.418
  195   3HD1  LEU  34          2HD1      LEU  34 -11.207 -15.398  -7.270
  196   1HD2  LEU  34          3HD2      LEU  34 -13.833 -14.464  -8.697
  197   2HD2  LEU  34          1HD2      LEU  34 -12.935 -13.741 -10.057
  198   3HD2  LEU  34          2HD2      LEU  34 -12.394 -15.264  -9.354
  199    H    SER  35           H        SER  35 -12.274  -9.018  -7.332
  200    HA   SER  35           HA       SER  35 -14.781  -8.497  -6.179
  201   1HB   SER  35          2HB       SER  35 -14.086  -6.364  -5.602
  202   2HB   SER  35          3HB       SER  35 -12.625  -7.359  -5.543
  203    HG   SER  35           HG       SER  35 -12.218  -6.500  -7.727
  204    H    LYS  36           H        LYS  36 -13.706  -7.780  -9.492
  205    HA   LYS  36           HA       LYS  36 -15.667  -5.866 -10.214
  206   1HB   LYS  36          2HB       LYS  36 -14.458  -8.104 -11.892
  207   2HB   LYS  36          3HB       LYS  36 -15.303  -6.687 -12.515
  208   1HG   LYS  36          2HG       LYS  36 -13.595  -5.188 -11.692
  209   2HG   LYS  36          3HG       LYS  36 -12.740  -6.498 -10.862
  210   1HD   LYS  36          2HD       LYS  36 -12.316  -7.664 -12.963
  211   2HD   LYS  36          3HD       LYS  36 -13.214  -6.444 -13.879
  212   1HE   LYS  36          2HE       LYS  36 -10.704  -5.873 -12.227
  213   2HE   LYS  36          3HE       LYS  36 -10.715  -6.168 -13.975
  214   1HZ   LYS  36          2HZ       LYS  36 -12.154  -4.272 -14.229
  215   2HZ   LYS  36          1HZ       LYS  36 -12.096  -3.969 -12.610
  216   3HZ   LYS  36          3HZ       LYS  36 -10.728  -3.851 -13.520
  217    H    HIS  37           H        HIS  37 -15.799  -9.416 -10.022
  218    HA   HIS  37           HA       HIS  37 -18.544  -9.519 -11.134
  219   1HB   HIS  37          2HB       HIS  37 -16.692 -11.680 -10.102
  220   2HB   HIS  37          3HB       HIS  37 -18.238 -11.939 -10.909
  221    HD1  HIS  37           HD1      HIS  37 -18.264 -11.587 -13.579
  222    HD2  HIS  37           HD2      HIS  37 -14.574 -11.546 -11.579
  223    HE1  HIS  37           HE1      HIS  37 -16.491 -12.267 -15.289
  224    H    THR  38           H        THR  38 -16.799 -10.412  -8.162
  225    HA   THR  38           HA       THR  38 -19.177 -11.305  -6.777
  226    HB   THR  38           HB       THR  38 -17.640 -11.732  -4.948
  227    HG1  THR  38          1HG       THR  38 -15.647 -10.507  -6.557
  228   1HG2  THR  38          1HG2      THR  38 -17.643 -13.370  -6.798
  229   2HG2  THR  38          2HG2      THR  38 -16.306 -12.500  -7.584
  230   3HG2  THR  38          3HG2      THR  38 -16.060 -13.255  -6.004
  231    H    GLY  39           H        GLY  39 -17.316  -8.256  -6.759
  232   1HA   GLY  39          2HA       GLY  39 -17.771  -6.273  -5.702
  233   2HA   GLY  39          3HA       GLY  39 -19.269  -6.945  -5.044
  234    H    GLU  40           H        GLU  40 -16.586  -9.046  -4.402
  235    HA   GLU  40           HA       GLU  40 -16.709  -8.387  -1.560
  236   1HB   GLU  40          2HB       GLU  40 -15.103 -10.393  -3.192
  237   2HB   GLU  40          3HB       GLU  40 -14.969 -10.234  -1.437
  238   1HG   GLU  40          2HG       GLU  40 -17.332 -10.761  -1.124
  239   2HG   GLU  40          3HG       GLU  40 -17.599 -10.817  -2.867
  240    H    LYS  41           H        LYS  41 -14.936  -7.774  -0.257
  241    HA   LYS  41           HA       LYS  41 -12.575  -6.543  -1.609
  242   1HB   LYS  41          2HB       LYS  41 -13.969  -5.174   0.702
  243   2HB   LYS  41          3HB       LYS  41 -12.756  -4.567  -0.435
  244   1HG   LYS  41          2HG       LYS  41 -14.621  -4.996  -2.260
  245   2HG   LYS  41          3HG       LYS  41 -15.703  -5.147  -0.861
  246   1HD   LYS  41          2HD       LYS  41 -15.952  -2.912  -1.332
  247   2HD   LYS  41          3HD       LYS  41 -14.626  -2.856  -0.153
  248   1HE   LYS  41          2HE       LYS  41 -13.021  -2.922  -2.162
  249   2HE   LYS  41          3HE       LYS  41 -14.433  -2.737  -3.210
  250   1HZ   LYS  41          3HZ       LYS  41 -14.905  -0.682  -1.989
  251   2HZ   LYS  41          1HZ       LYS  41 -13.523  -0.907  -1.106
  252   3HZ   LYS  41          2HZ       LYS  41 -13.426  -0.630  -2.722
  253    HA   PRO  42           HA       PRO  42 -11.684  -9.925   1.427
  254   1HB   PRO  42          2HB       PRO  42  -9.194  -9.784  -0.280
  255   2HB   PRO  42          3HB       PRO  42  -9.960 -11.233   0.441
  256   1HG   PRO  42          2HG       PRO  42 -10.432 -10.598  -2.147
  257   2HG   PRO  42          3HG       PRO  42 -11.820 -11.049  -1.107
  258   1HD   PRO  42          2HD       PRO  42 -10.849  -8.318  -1.925
  259   2HD   PRO  42          3HD       PRO  42 -12.499  -8.979  -1.906
  260    H    PHE  43           H        PHE  43  -9.828  -6.932   0.953
  261    HA   PHE  43           HA       PHE  43  -8.184  -7.562   3.381
  262   1HB   PHE  43          2HB       PHE  43  -7.624  -5.643   1.130
  263   2HB   PHE  43          3HB       PHE  43  -6.618  -5.963   2.522
  264    HD1  PHE  43           HD2      PHE  43  -7.956  -7.388  -0.618
  265    HD2  PHE  43           HD1      PHE  43  -5.373  -8.109   2.737
  266    HE1  PHE  43           HE2      PHE  43  -6.921  -9.278  -1.840
  267    HE2  PHE  43           HE1      PHE  43  -4.434 -10.087   1.579
  268    HZ   PHE  43           HZ       PHE  43  -5.176 -10.660  -0.724
  269    HA   PRO  44           HA       PRO  44 -11.080  -4.179   4.667
  270   1HB   PRO  44          2HB       PRO  44 -11.817  -5.123   7.108
  271   2HB   PRO  44          3HB       PRO  44 -12.561  -5.714   5.593
  272   1HG   PRO  44          2HG       PRO  44 -10.276  -6.993   7.134
  273   2HG   PRO  44          3HG       PRO  44 -11.779  -7.778   6.556
  274   1HD   PRO  44          2HD       PRO  44  -9.466  -7.912   5.154
  275   2HD   PRO  44          3HD       PRO  44 -11.044  -7.730   4.322
  276    H    CYS  45           H        CYS  45 -10.339  -2.417   5.814
  277    HA   CYS  45           HA       CYS  45  -7.662  -2.514   6.977
  278   1HB   CYS  45          2HB       CYS  45  -8.406  -0.739   5.491
  279   2HB   CYS  45          3HB       CYS  45  -9.653  -0.269   6.658
  280    H    LYS  46           H        LYS  46 -10.886  -2.757   8.178
  281    HA   LYS  46           HA       LYS  46 -11.786  -3.110  10.159
  282   1HB   LYS  46          2HB       LYS  46  -8.940  -3.710  10.993
  283   2HB   LYS  46          3HB       LYS  46 -10.349  -3.999  12.002
  284   1HG   LYS  46          2HG       LYS  46 -10.156  -5.197   9.213
  285   2HG   LYS  46          3HG       LYS  46  -9.412  -5.951  10.627
  286   1HD   LYS  46          2HD       LYS  46 -11.565  -6.073  11.797
  287   2HD   LYS  46          3HD       LYS  46 -12.383  -5.231  10.477
  288   1HE   LYS  46          2HE       LYS  46 -12.795  -7.645  10.385
  289   2HE   LYS  46          3HE       LYS  46 -11.947  -7.077   8.943
  290   1HZ   LYS  46          2HZ       LYS  46 -10.691  -8.397  11.251
  291   2HZ   LYS  46          3HZ       LYS  46 -11.036  -9.113   9.806
  292   3HZ   LYS  46          1HZ       LYS  46  -9.915  -7.908   9.880
  293    H    GLU  47           H        GLU  47  -9.092  -0.808  10.504
  294    HA   GLU  47           HA       GLU  47  -9.478   0.232  12.972
  295   1HB   GLU  47          2HB       GLU  47  -9.016   1.773  10.386
  296   2HB   GLU  47          3HB       GLU  47  -8.833   2.458  12.012
  297   1HG   GLU  47          2HG       GLU  47  -7.144   0.646  12.516
  298   2HG   GLU  47          3HG       GLU  47  -7.206   0.173  10.808
  299    H    GLU  48           H        GLU  48 -10.830   1.528  14.094
  300    HA   GLU  48           HA       GLU  48 -13.556   1.723  13.436
  301   1HB   GLU  48          2HB       GLU  48 -11.857   3.391  15.357
  302   2HB   GLU  48          3HB       GLU  48 -13.616   3.452  15.258
  303   1HG   GLU  48          2HG       GLU  48 -13.093   2.024  17.087
  304   2HG   GLU  48          3HG       GLU  48 -13.746   1.014  15.793
  305    H    GLY  49           H        GLY  49 -14.708   3.146  12.189
  306   1HA   GLY  49          2HA       GLY  49 -15.217   5.036  10.957
  307   2HA   GLY  49          3HA       GLY  49 -13.736   5.828  11.519
  308    H    CYS  50           H        CYS  50 -11.679   4.455  10.713
  309    HA   CYS  50           HA       CYS  50 -11.714   4.554   7.782
  310   1HB   CYS  50          2HB       CYS  50  -9.919   5.531   9.063
  311   2HB   CYS  50          3HB       CYS  50  -9.545   3.998   9.838
  312    H    GLU  51           H        GLU  51 -13.511   2.624   8.503
  313    HA   GLU  51           HA       GLU  51 -12.219  -0.016   8.427
  314   1HB   GLU  51          2HB       GLU  51 -14.237   0.562   9.825
  315   2HB   GLU  51          3HB       GLU  51 -15.170   0.680   8.317
  316   1HG   GLU  51          2HG       GLU  51 -14.609  -1.686   7.808
  317   2HG   GLU  51          3HG       GLU  51 -13.578  -1.750   9.250
  318    H    LYS  52           H        LYS  52 -11.190   1.053   6.407
  319    HA   LYS  52           HA       LYS  52 -12.696   1.202   3.960
  320   1HB   LYS  52          2HB       LYS  52  -9.762   0.512   4.256
  321   2HB   LYS  52          3HB       LYS  52 -10.536   1.242   2.851
  322   1HG   LYS  52          2HG       LYS  52 -10.155   2.593   5.573
  323   2HG   LYS  52          3HG       LYS  52  -9.126   2.802   4.171
  324   1HD   LYS  52          2HD       LYS  52 -11.023   3.699   2.858
  325   2HD   LYS  52          3HD       LYS  52 -12.107   3.487   4.251
  326   1HE   LYS  52          2HE       LYS  52 -10.816   5.086   5.572
  327   2HE   LYS  52          3HE       LYS  52  -9.598   5.224   4.291
  328   1HZ   LYS  52          2HZ       LYS  52 -12.413   6.001   4.019
  329   2HZ   LYS  52          3HZ       LYS  52 -11.148   7.030   4.267
  330   3HZ   LYS  52          1HZ       LYS  52 -11.232   6.155   2.873
  331    H    GLY  53           H        GLY  53 -12.614  -0.315   2.167
  332   1HA   GLY  53          2HA       GLY  53 -12.174  -3.205   2.890
  333   2HA   GLY  53          3HA       GLY  53 -13.495  -2.615   1.874
  334    H    PHE  54           H        PHE  54 -10.057  -3.392   1.976
  335    HA   PHE  54           HA       PHE  54  -9.679  -2.276  -0.751
  336   1HB   PHE  54          2HB       PHE  54  -7.730  -3.241   1.325
  337   2HB   PHE  54          3HB       PHE  54  -7.292  -2.981  -0.355
  338    HD1  PHE  54           HD1      PHE  54  -7.692  -0.715  -1.447
  339    HD2  PHE  54           HD2      PHE  54  -8.144  -1.314   2.796
  340    HE1  PHE  54           HE1      PHE  54  -7.677   1.723  -1.090
  341    HE2  PHE  54           HE2      PHE  54  -7.827   1.113   3.164
  342    HZ   PHE  54           HZ       PHE  54  -7.722   2.654   1.216
  343    H    THR  55           H        THR  55  -9.075  -3.566  -2.517
  344    HA   THR  55           HA       THR  55  -9.923  -6.405  -2.386
  345    HB   THR  55           HB       THR  55  -9.606  -5.970  -4.895
  346    HG1  THR  55          1HG       THR  55  -9.675  -3.792  -5.484
  347   1HG2  THR  55          2HG2      THR  55 -11.809  -6.088  -3.827
  348   2HG2  THR  55          3HG2      THR  55 -11.704  -4.364  -3.395
  349   3HG2  THR  55          1HG2      THR  55 -11.778  -4.857  -5.101
  350    H    SER  56           H        SER  56  -6.963  -4.668  -2.114
  351    HA   SER  56           HA       SER  56  -5.583  -7.179  -2.715
  352   1HB   SER  56          2HB       SER  56  -3.919  -5.944  -4.146
  353   2HB   SER  56          3HB       SER  56  -5.530  -6.207  -4.861
  354    HG   SER  56           HG       SER  56  -6.042  -4.072  -4.350
  355    H    LEU  57           H        LEU  57  -3.859  -7.564  -1.549
  356    HA   LEU  57           HA       LEU  57  -3.443  -6.314   0.876
  357   1HB   LEU  57          2HB       LEU  57  -2.733  -8.616   0.298
  358   2HB   LEU  57          3HB       LEU  57  -1.506  -7.981  -0.794
  359    HG   LEU  57           HG       LEU  57  -0.281  -7.008   1.091
  360   1HD1  LEU  57          2HD1      LEU  57  -2.533  -8.132   2.824
  361   2HD1  LEU  57          3HD1      LEU  57  -0.972  -7.555   3.442
  362   3HD1  LEU  57          1HD1      LEU  57  -2.076  -6.420   2.667
  363   1HD2  LEU  57          1HD2      LEU  57   0.098  -9.365   0.419
  364   2HD2  LEU  57          2HD2      LEU  57   0.402  -9.112   2.149
  365   3HD2  LEU  57          3HD2      LEU  57  -1.099  -9.896   1.613
  366    H    HIS  58           H        HIS  58  -1.624  -5.876  -2.210
  367    HA   HIS  58           HA       HIS  58   0.341  -4.160  -1.170
  368   1HB   HIS  58          2HB       HIS  58   0.955  -3.674  -3.272
  369   2HB   HIS  58          3HB       HIS  58   0.157  -5.203  -3.557
  370    HD1  HIS  58           HD1      HIS  58  -2.038  -4.989  -5.214
  371    HD2  HIS  58           HD2      HIS  58  -0.275  -1.367  -4.005
  372    HE1  HIS  58           HE1      HIS  58  -3.286  -3.133  -6.417
  373    H    HIS  59           H        HIS  59  -2.923  -3.413  -2.425
  374    HA   HIS  59           HA       HIS  59  -2.596  -0.613  -2.269
  375   1HB   HIS  59          2HB       HIS  59  -4.380  -2.012  -3.519
  376   2HB   HIS  59          3HB       HIS  59  -5.314  -1.895  -2.017
  377    HD1  HIS  59           HD1      HIS  59  -4.708  -0.101  -5.202
  378    HD2  HIS  59           HD2      HIS  59  -5.076   1.002  -1.132
  379    HE1  HIS  59           HE1      HIS  59  -4.894   2.453  -5.102
  380    HE2  HIS  59           HE2      HIS  59  -5.189   3.095  -2.668
  381    H    LEU  60           H        LEU  60  -3.961  -2.996   0.025
  382    HA   LEU  60           HA       LEU  60  -4.594  -1.179   2.092
  383   1HB   LEU  60          2HB       LEU  60  -5.154  -3.659   1.979
  384   2HB   LEU  60          3HB       LEU  60  -3.476  -3.994   2.412
  385    HG   LEU  60           HG       LEU  60  -3.872  -2.562   4.523
  386   1HD1  LEU  60          1HD1      LEU  60  -6.764  -2.964   3.609
  387   2HD1  LEU  60          2HD1      LEU  60  -6.263  -2.430   5.228
  388   3HD1  LEU  60          3HD1      LEU  60  -5.935  -1.403   3.835
  389   1HD2  LEU  60          1HD2      LEU  60  -3.756  -5.048   4.512
  390   2HD2  LEU  60          2HD2      LEU  60  -4.869  -4.407   5.735
  391   3HD2  LEU  60          3HD2      LEU  60  -5.511  -5.104   4.241
  392    H    THR  61           H        THR  61  -1.541  -2.852   1.331
  393    HA   THR  61           HA       THR  61  -0.015  -1.990   3.531
  394    HB   THR  61           HB       THR  61   1.021  -2.564   0.734
  395    HG1  THR  61          1HG       THR  61  -0.282  -4.259   1.656
  396   1HG2  THR  61          2HG2      THR  61   2.336  -2.736   3.475
  397   2HG2  THR  61          3HG2      THR  61   3.031  -3.319   1.954
  398   3HG2  THR  61          1HG2      THR  61   2.750  -1.581   2.186
  399    H    ARG  62           H        ARG  62  -0.131  -0.466   0.199
  400    HA   ARG  62           HA       ARG  62   1.403   1.747   1.236
  401   1HB   ARG  62          2HB       ARG  62   1.173   2.882  -0.830
  402   2HB   ARG  62          3HB       ARG  62   1.694   1.211  -0.996
  403   1HG   ARG  62          2HG       ARG  62   0.289   1.606  -2.771
  404   2HG   ARG  62          3HG       ARG  62  -0.649   0.595  -1.663
  405   1HD   ARG  62          2HD       ARG  62  -2.278   2.186  -1.458
  406   2HD   ARG  62          3HD       ARG  62  -1.100   3.465  -1.161
  407    HE   ARG  62           HE       ARG  62  -1.580   4.218  -3.218
  408   1HH1  ARG  62          2HH2      ARG  62  -1.675   0.687  -3.429
  409   2HH1  ARG  62          1HH2      ARG  62  -2.104   0.678  -5.125
  410   1HH2  ARG  62          1HH1      ARG  62  -2.333   4.192  -5.405
  411   2HH2  ARG  62          2HH1      ARG  62  -2.622   2.648  -6.167
  412    H    HIS  63           H        HIS  63  -2.099   1.184   1.076
  413    HA   HIS  63           HA       HIS  63  -2.977   3.832   1.649
  414   1HB   HIS  63          2HB       HIS  63  -4.602   2.130   1.135
  415   2HB   HIS  63          3HB       HIS  63  -4.041   1.094   2.444
  416    HD1  HIS  63           HD1      HIS  63  -5.805   4.543   2.136
  417    HD2  HIS  63           HD2      HIS  63  -5.281   1.274   4.745
  418    HE1  HIS  63           HE1      HIS  63  -7.156   5.041   4.230
  419    H    SER  64           H        SER  64  -1.720   1.236   3.770
  420    HA   SER  64           HA       SER  64  -2.088   2.506   6.236
  421   1HB   SER  64          2HB       SER  64   0.266   0.721   5.520
  422   2HB   SER  64          3HB       SER  64  -0.399   1.051   7.121
  423    HG   SER  64           HG       SER  64  -1.808  -0.226   4.985
  424    H    LEU  65           H        LEU  65   0.236   3.436   3.716
  425    HA   LEU  65           HA       LEU  65   2.179   4.761   5.287
  426   1HB   LEU  65          2HB       LEU  65   0.986   5.637   2.644
  427   2HB   LEU  65          3HB       LEU  65   2.448   6.296   3.365
  428    HG   LEU  65           HG       LEU  65   2.205   3.375   2.589
  429   1HD1  LEU  65          3HD1      LEU  65   3.355   5.786   1.119
  430   2HD1  LEU  65          1HD1      LEU  65   3.523   4.097   0.570
  431   3HD1  LEU  65          2HD1      LEU  65   1.923   4.868   0.631
  432   1HD2  LEU  65          2HD2      LEU  65   4.001   3.860   4.241
  433   2HD2  LEU  65          3HD2      LEU  65   4.644   3.394   2.663
  434   3HD2  LEU  65          1HD2      LEU  65   4.648   5.102   3.131
  435    H    THR  66           H        THR  66  -1.163   5.665   4.441
  436    HA   THR  66           HA       THR  66  -0.962   8.419   5.217
  437    HB   THR  66           HB       THR  66  -3.364   8.425   5.203
  438    HG1  THR  66          1HG       THR  66  -3.310   5.607   4.902
  439   1HG2  THR  66          2HG2      THR  66  -2.172   8.310   2.985
  440   2HG2  THR  66          3HG2      THR  66  -2.473   6.564   2.938
  441   3HG2  THR  66          1HG2      THR  66  -3.834   7.695   2.944
  442    H    HIS  67           H        HIS  67  -1.414   5.428   7.027
  443    HA   HIS  67           HA       HIS  67  -2.370   6.717   9.471
  444   1HB   HIS  67          2HB       HIS  67  -1.379   3.878   8.942
  445   2HB   HIS  67          3HB       HIS  67  -2.186   4.443  10.394
  446    HD1  HIS  67           HD1      HIS  67  -3.958   6.089   7.665
  447    HD2  HIS  67           HD2      HIS  67  -3.712   2.150   9.123
  448    HE1  HIS  67           HE1      HIS  67  -6.001   4.918   6.831
  449    H    THR  68           H        THR  68   0.648   5.112   8.317
  450    HA   THR  68           HA       THR  68   2.113   5.732  10.738
  451    HB   THR  68           HB       THR  68   4.054   5.023   9.248
  452    HG1  THR  68          1HG       THR  68   3.472   4.245   7.225
  453   1HG2  THR  68          3HG2      THR  68   1.584   3.200   9.312
  454   2HG2  THR  68          1HG2      THR  68   3.264   2.671   9.069
  455   3HG2  THR  68          2HG2      THR  68   2.772   3.382  10.619
  456    H    GLY  69           H        GLY  69   1.338   7.479   7.797
  457   1HA   GLY  69          2HA       GLY  69   1.616   9.692   7.294
  458   2HA   GLY  69          3HA       GLY  69   2.489   9.953   8.819
  459    H    GLU  70           H        GLU  70   3.268   7.440   6.442
  460    HA   GLU  70           HA       GLU  70   6.028   8.409   6.285
  461   1HB   GLU  70          2HB       GLU  70   4.572   5.993   5.228
  462   2HB   GLU  70          3HB       GLU  70   6.275   6.299   4.844
  463   1HG   GLU  70          2HG       GLU  70   6.877   6.335   7.201
  464   2HG   GLU  70          3HG       GLU  70   5.192   6.092   7.660
  465    H    LYS  71           H        LYS  71   4.508  10.353   5.319
  466    HA   LYS  71           HA       LYS  71   4.188  10.394   2.418
  467   1HB   LYS  71          2HB       LYS  71   2.717  11.449   4.123
  468   2HB   LYS  71          3HB       LYS  71   4.059  12.476   4.628
  469   1HG   LYS  71          2HG       LYS  71   4.015  13.569   2.367
  470   2HG   LYS  71          3HG       LYS  71   2.618  12.551   1.946
  471   1HD   LYS  71          2HD       LYS  71   1.434  13.419   4.006
  472   2HD   LYS  71          3HD       LYS  71   2.803  14.496   4.313
  473   1HE   LYS  71          2HE       LYS  71   1.022  14.526   1.849
  474   2HE   LYS  71          3HE       LYS  71   0.894  15.638   3.218
  475   1HZ   LYS  71          1HZ       LYS  71   3.105  16.414   2.744
  476   2HZ   LYS  71          2HZ       LYS  71   3.223  15.414   1.437
  477   3HZ   LYS  71          3HZ       LYS  71   2.111  16.620   1.444
  478    H    ASN  72           H        ASN  72   6.601   9.642   2.361
  479    HA   ASN  72           HA       ASN  72   8.510  11.953   2.584
  480   1HB   ASN  72          2HB       ASN  72   9.109   8.983   2.550
  481   2HB   ASN  72          3HB       ASN  72  10.270  10.286   2.803
  482   1HD2  ASN  72          1HD2      ASN  72   8.083   8.926   5.943
  483   2HD2  ASN  72          2HD2      ASN  72   7.780   8.330   4.311
  484    H    PHE  73           H        PHE  73   6.851  10.532   0.030
  485    HA   PHE  73           HA       PHE  73   9.180  10.081  -1.664
  486   1HB   PHE  73          2HB       PHE  73   6.234  10.313  -2.333
  487   2HB   PHE  73          3HB       PHE  73   7.504   9.936  -3.492
  488    HD1  PHE  73           HD1      PHE  73   9.164   8.005  -2.850
  489    HD2  PHE  73           HD2      PHE  73   5.396   8.581  -0.882
  490    HE1  PHE  73           HE1      PHE  73   9.272   5.709  -1.995
  491    HE2  PHE  73           HE2      PHE  73   5.458   6.250  -0.055
  492    HZ   PHE  73           HZ       PHE  73   7.405   4.790  -0.605
  493    H    THR  74           H        THR  74  10.357  11.842  -1.450
  494    HA   THR  74           HA       THR  74   9.513  14.532  -1.866
  495    HB   THR  74           HB       THR  74  12.272  13.297  -1.768
  496    HG1  THR  74          1HG       THR  74  10.864  12.858   0.068
  497   1HG2  THR  74          2HG2      THR  74  11.283  16.140  -1.282
  498   2HG2  THR  74          3HG2      THR  74  12.918  15.550  -0.909
  499   3HG2  THR  74          1HG2      THR  74  12.368  15.604  -2.592
  500    H    CYS  75           H        CYS  75   9.113  15.504  -3.750
  501    HA   CYS  75           HA       CYS  75   9.797  14.545  -6.354
  502   1HB   CYS  75          2HB       CYS  75   8.036  16.060  -6.261
  503   2HB   CYS  75          3HB       CYS  75   8.893  17.184  -5.188
  504    H    ASP  76           H        ASP  76  11.746  14.478  -7.293
  505    HA   ASP  76           HA       ASP  76  14.084  15.641  -6.043
  506   1HB   ASP  76          2HB       ASP  76  15.283  14.520  -7.840
  507   2HB   ASP  76          3HB       ASP  76  14.150  13.439  -7.017
  508    H    SER  77           H        SER  77  13.036  17.834  -6.179
  509    HA   SER  77           HA       SER  77  14.161  19.298  -8.496
  510   1HB   SER  77          2HB       SER  77  11.759  18.755  -9.024
  511   2HB   SER  77          3HB       SER  77  11.291  19.624  -7.545
  512    HG   SER  77           HG       SER  77  11.183  20.915  -9.423
  513    H    ASP  78           H        ASP  78  15.480  20.738  -7.506
  514    HA   ASP  78           HA       ASP  78  15.584  21.263  -4.772
  515   1HB   ASP  78          2HB       ASP  78  16.467  23.057  -7.078
  516   2HB   ASP  78          3HB       ASP  78  16.983  23.224  -5.394
  517    H    GLY  79           H        GLY  79  14.561  22.679  -3.386
  518   1HA   GLY  79          2HA       GLY  79  13.260  24.480  -2.701
  519   2HA   GLY  79          3HA       GLY  79  12.996  24.978  -4.381
  520    H    CYS  80           H        CYS  80  11.897  22.923  -5.644
  521    HA   CYS  80           HA       CYS  80   9.257  22.562  -4.398
  522   1HB   CYS  80          2HB       CYS  80   9.468  23.110  -6.762
  523   2HB   CYS  80          3HB       CYS  80  10.428  21.666  -7.050
  524    H    ASP  81           H        ASP  81  11.014  21.421  -2.697
  525    HA   ASP  81           HA       ASP  81  11.301  18.534  -3.251
  526   1HB   ASP  81          2HB       ASP  81  11.957  20.214  -0.815
  527   2HB   ASP  81          3HB       ASP  81  12.323  18.495  -1.004
  528    H    LEU  82           H        LEU  82   8.741  19.052  -3.598
  529    HA   LEU  82           HA       LEU  82   7.091  18.949  -1.218
  530   1HB   LEU  82          2HB       LEU  82   6.588  18.326  -4.147
  531   2HB   LEU  82          3HB       LEU  82   5.310  18.275  -2.923
  532    HG   LEU  82           HG       LEU  82   6.964  20.739  -3.642
  533   1HD1  LEU  82          3HD1      LEU  82   5.541  19.963  -5.530
  534   2HD1  LEU  82          1HD1      LEU  82   4.132  19.939  -4.450
  535   3HD1  LEU  82          2HD1      LEU  82   4.929  21.476  -4.844
  536   1HD2  LEU  82          1HD2      LEU  82   4.442  20.395  -1.948
  537   2HD2  LEU  82          2HD2      LEU  82   6.041  20.913  -1.363
  538   3HD2  LEU  82          3HD2      LEU  82   5.125  21.954  -2.454
  539    H    ARG  83           H        ARG  83   6.540  17.171  -0.010
  540    HA   ARG  83           HA       ARG  83   7.549  14.525  -0.900
  541   1HB   ARG  83          2HB       ARG  83   6.646  15.236   1.881
  542   2HB   ARG  83          3HB       ARG  83   7.645  13.887   1.309
  543   1HG   ARG  83          2HG       ARG  83   9.294  15.791   0.494
  544   2HG   ARG  83          3HG       ARG  83   8.393  16.806   1.630
  545   1HD   ARG  83          2HD       ARG  83  10.106  14.378   2.137
  546   2HD   ARG  83          3HD       ARG  83  10.245  15.985   2.873
  547    HE   ARG  83           HE       ARG  83   7.762  15.086   3.688
  548   1HH1  ARG  83          1HH2      ARG  83  11.060  13.825   4.082
  549   2HH1  ARG  83          2HH2      ARG  83  10.512  12.459   5.047
  550   1HH2  ARG  83          1HH1      ARG  83   7.145  13.203   4.819
  551   2HH2  ARG  83          2HH1      ARG  83   8.367  12.268   5.663
  552    H    PHE  84           H        PHE  84   6.106  13.121  -1.692
  553    HA   PHE  84           HA       PHE  84   3.203  13.606  -1.252
  554   1HB   PHE  84          2HB       PHE  84   4.606  12.041  -3.436
  555   2HB   PHE  84          3HB       PHE  84   2.885  12.357  -3.287
  556    HD1  PHE  84           HD1      PHE  84   6.169  14.168  -3.705
  557    HD2  PHE  84           HD2      PHE  84   1.921  14.195  -4.480
  558    HE1  PHE  84           HE1      PHE  84   6.392  16.277  -4.891
  559    HE2  PHE  84           HE2      PHE  84   2.201  16.285  -5.762
  560    HZ   PHE  84           HZ       PHE  84   4.396  17.422  -5.832
  561    H    THR  85           H        THR  85   1.776  11.636  -1.336
  562    HA   THR  85           HA       THR  85   2.376   9.815   0.795
  563    HB   THR  85           HB       THR  85   0.114   8.873  -0.186
  564    HG1  THR  85          1HG       THR  85   0.030   9.872  -2.172
  565   1HG2  THR  85          2HG2      THR  85   0.330  10.285   1.860
  566   2HG2  THR  85          1HG2      THR  85   0.277  11.742   0.839
  567   3HG2  THR  85          3HG2      THR  85  -1.121  10.646   0.915
  568    H    THR  86           H        THR  86   1.954   9.142  -2.775
  569    HA   THR  86           HA       THR  86   3.666   6.741  -2.278
  570    HB   THR  86           HB       THR  86   2.386   5.401  -3.686
  571    HG1  THR  86          1HG       THR  86   0.750   7.615  -4.318
  572   1HG2  THR  86          2HG2      THR  86   1.368   5.711  -1.420
  573   2HG2  THR  86          3HG2      THR  86   0.263   6.921  -2.108
  574   3HG2  THR  86          1HG2      THR  86   0.206   5.243  -2.671
  575    H    LYS  87           H        LYS  87   4.963   6.144  -4.120
  576    HA   LYS  87           HA       LYS  87   6.184   8.312  -5.373
  577   1HB   LYS  87          2HB       LYS  87   6.075   5.362  -6.149
  578   2HB   LYS  87          3HB       LYS  87   6.970   6.573  -7.085
  579   1HG   LYS  87          2HG       LYS  87   8.163   7.261  -4.987
  580   2HG   LYS  87          3HG       LYS  87   7.423   5.867  -4.167
  581   1HD   LYS  87          2HD       LYS  87   8.621   4.332  -5.465
  582   2HD   LYS  87          3HD       LYS  87   8.939   5.513  -6.757
  583   1HE   LYS  87          2HE       LYS  87  10.478   6.759  -5.259
  584   2HE   LYS  87          3HE       LYS  87  10.269   5.502  -4.027
  585   1HZ   LYS  87          3HZ       LYS  87  11.329   5.095  -6.733
  586   2HZ   LYS  87          1HZ       LYS  87  12.213   5.157  -5.343
  587   3HZ   LYS  87          2HZ       LYS  87  11.150   3.925  -5.585
  588    H    ALA  88           H        ALA  88   3.389   6.374  -6.584
  589    HA   ALA  88           HA       ALA  88   3.503   7.575  -9.157
  590   1HB   ALA  88          1HB       ALA  88   2.368   5.543  -8.797
  591   2HB   ALA  88          2HB       ALA  88   1.117   6.340  -7.793
  592   3HB   ALA  88          3HB       ALA  88   1.286   6.747  -9.528
  593    H    ASN  89           H        ASN  89   2.253   8.901  -6.100
  594    HA   ASN  89           HA       ASN  89   0.661  10.999  -7.363
  595   1HB   ASN  89          2HB       ASN  89   2.051  10.978  -4.673
  596   2HB   ASN  89          3HB       ASN  89   0.849  12.165  -5.194
  597   1HD2  ASN  89          1HD2      ASN  89  -1.931   9.958  -4.504
  598   2HD2  ASN  89          2HD2      ASN  89  -1.493  11.352  -5.456
  599    H    MET  90           H        MET  90   3.986  10.676  -6.102
  600    HA   MET  90           HA       MET  90   4.964  13.274  -6.724
  601   1HB   MET  90          2HB       MET  90   6.115  11.735  -5.209
  602   2HB   MET  90          3HB       MET  90   6.328  10.570  -6.507
  603   1HG   MET  90          2HG       MET  90   7.790  12.245  -7.703
  604   2HG   MET  90          3HG       MET  90   7.649  13.271  -6.271
  605   1HE   MET  90          2HE       MET  90   8.881   9.818  -7.748
  606   2HE   MET  90          3HE       MET  90   9.815   9.156  -6.372
  607   3HE   MET  90          1HE       MET  90   8.060   9.229  -6.283
  608    H    LYS  91           H        LYS  91   4.922  10.230  -8.622
  609    HA   LYS  91           HA       LYS  91   6.246  11.254 -10.937
  610   1HB   LYS  91          2HB       LYS  91   4.209   9.025 -10.676
  611   2HB   LYS  91          3HB       LYS  91   5.146   9.353 -12.127
  612   1HG   LYS  91          2HG       LYS  91   6.417   8.602  -9.446
  613   2HG   LYS  91          3HG       LYS  91   6.021   7.482 -10.754
  614   1HD   LYS  91          2HD       LYS  91   7.530   8.987 -12.239
  615   2HD   LYS  91          3HD       LYS  91   8.071   9.724 -10.704
  616   1HE   LYS  91          2HE       LYS  91   8.727   7.497  -9.861
  617   2HE   LYS  91          3HE       LYS  91   8.178   6.739 -11.374
  618   1HZ   LYS  91          3HZ       LYS  91  10.338   8.717 -11.131
  619   2HZ   LYS  91          1HZ       LYS  91  10.525   7.095 -11.363
  620   3HZ   LYS  91          2HZ       LYS  91   9.825   8.018 -12.534
  621    H    LYS  92           H        LYS  92   2.700  10.975 -10.203
  622    HA   LYS  92           HA       LYS  92   1.727  12.156 -12.564
  623   1HB   LYS  92          2HB       LYS  92   0.732  12.255  -9.689
  624   2HB   LYS  92          3HB       LYS  92  -0.083  13.121 -11.001
  625   1HG   LYS  92          2HG       LYS  92  -0.506  11.081 -12.214
  626   2HG   LYS  92          3HG       LYS  92   0.455  10.133 -11.073
  627   1HD   LYS  92          2HD       LYS  92  -1.984   9.900 -10.731
  628   2HD   LYS  92          3HD       LYS  92  -1.159  10.479  -9.290
  629   1HE   LYS  92          2HE       LYS  92  -2.402  12.490 -11.204
  630   2HE   LYS  92          3HE       LYS  92  -3.439  11.595 -10.098
  631   1HZ   LYS  92          2HZ       LYS  92  -1.175  13.219  -9.225
  632   2HZ   LYS  92          3HZ       LYS  92  -2.762  13.648  -9.129
  633   3HZ   LYS  92          1HZ       LYS  92  -2.209  12.369  -8.264
  634    H    HIS  93           H        HIS  93   2.674  13.783  -9.489
  635    HA   HIS  93           HA       HIS  93   2.317  16.440 -10.372
  636   1HB   HIS  93          2HB       HIS  93   2.692  16.120  -8.091
  637   2HB   HIS  93          3HB       HIS  93   4.158  15.171  -8.337
  638    HD1  HIS  93           HD1      HIS  93   3.034  18.863  -8.715
  639    HD2  HIS  93           HD2      HIS  93   6.455  16.426  -8.436
  640    HE1  HIS  93           HE1      HIS  93   5.032  20.429  -8.422
  641    H    PHE  94           H        PHE  94   5.349  14.468 -10.506
  642    HA   PHE  94           HA       PHE  94   6.914  16.431 -11.757
  643   1HB   PHE  94          2HB       PHE  94   7.572  14.153 -10.743
  644   2HB   PHE  94          3HB       PHE  94   7.238  13.469 -12.326
  645    HD1  PHE  94           HD2      PHE  94   8.570  14.416 -14.354
  646    HD2  PHE  94           HD1      PHE  94   9.607  15.273 -10.247
  647    HE1  PHE  94           HE2      PHE  94  10.819  15.167 -15.067
  648    HE2  PHE  94           HE1      PHE  94  11.856  16.003 -10.971
  649    HZ   PHE  94           HZ       PHE  94  12.467  15.954 -13.379
  650    H    ASN  95           H        ASN  95   4.954  13.874 -13.247
  651    HA   ASN  95           HA       ASN  95   5.428  14.306 -15.986
  652   1HB   ASN  95          2HB       ASN  95   3.139  13.132 -14.425
  653   2HB   ASN  95          3HB       ASN  95   2.975  13.431 -16.155
  654   1HD2  ASN  95          1HD2      ASN  95   5.326  10.346 -14.889
  655   2HD2  ASN  95          2HD2      ASN  95   4.656  11.501 -13.734
  656    H    ARG  96           H        ARG  96   3.038  15.732 -13.776
  657    HA   ARG  96           HA       ARG  96   1.740  17.401 -15.735
  658   1HB   ARG  96          2HB       ARG  96   0.660  16.402 -13.794
  659   2HB   ARG  96          3HB       ARG  96   1.707  17.296 -12.697
  660   1HG   ARG  96          2HG       ARG  96   0.691  19.432 -13.483
  661   2HG   ARG  96          3HG       ARG  96  -0.379  18.517 -14.559
  662   1HD   ARG  96          2HD       ARG  96  -0.192  18.185 -11.534
  663   2HD   ARG  96          3HD       ARG  96  -1.435  19.143 -12.359
  664    HE   ARG  96           HE       ARG  96  -1.779  16.789 -13.590
  665   1HH1  ARG  96          1HH2      ARG  96  -1.427  17.426 -10.129
  666   2HH1  ARG  96          2HH2      ARG  96  -2.559  16.187  -9.634
  667   1HH2  ARG  96          1HH1      ARG  96  -3.202  15.124 -12.950
  668   2HH2  ARG  96          2HH1      ARG  96  -3.550  14.864 -11.259
  669    H    PHE  97           H        PHE  97   4.434  17.898 -13.467
  670    HA   PHE  97           HA       PHE  97   4.440  20.825 -14.019
  671   1HB   PHE  97          2HB       PHE  97   5.558  19.140 -11.780
  672   2HB   PHE  97          3HB       PHE  97   6.169  20.745 -12.115
  673    HD1  PHE  97           HD1      PHE  97   2.753  19.153 -11.817
  674    HD2  PHE  97           HD2      PHE  97   5.356  22.424 -10.753
  675    HE1  PHE  97           HE1      PHE  97   0.934  20.185 -10.514
  676    HE2  PHE  97           HE2      PHE  97   3.574  23.366  -9.321
  677    HZ   PHE  97           HZ       PHE  97   1.375  22.231  -9.161
  678    H    HIS  98           H        HIS  98   7.140  18.626 -13.260
  679    HA   HIS  98           HA       HIS  98   8.944  20.366 -14.665
  680   1HB   HIS  98          2HB       HIS  98   9.402  17.684 -13.331
  681   2HB   HIS  98          3HB       HIS  98  10.664  18.828 -13.815
  682    HD1  HIS  98           HD1      HIS  98   9.816  21.502 -12.695
  683    HD2  HIS  98           HD2      HIS  98   8.830  17.875 -10.801
  684    HE1  HIS  98           HE1      HIS  98   9.091  22.087 -10.312
  685    H    ASN  99           H        ASN  99   7.329  17.394 -15.540
  686    HA   ASN  99           HA       ASN  99   9.121  16.746 -17.764
  687   1HB   ASN  99          2HB       ASN  99   7.813  14.949 -16.997
  688   2HB   ASN  99          3HB       ASN  99   6.398  15.993 -16.819
  689   1HD2  ASN  99          1HD2      ASN  99   5.037  15.246 -19.939
  690   2HD2  ASN  99          2HD2      ASN  99   4.824  15.947 -18.334
  691    H    ILE 100           H        ILE 100   6.350  18.926 -17.230
  692    HA   ILE 100           HA       ILE 100   6.149  19.528 -20.118
  693    HB   ILE 100           HB       ILE 100   4.786  20.950 -17.802
  694   1HG1  ILE 100          2HG1      ILE 100   3.972  18.508 -19.429
  695   2HG1  ILE 100          3HG1      ILE 100   4.107  18.670 -17.670
  696   1HG2  ILE 100          1HG2      ILE 100   4.962  22.143 -20.050
  697   2HG2  ILE 100          2HG2      ILE 100   4.088  20.783 -20.771
  698   3HG2  ILE 100          3HG2      ILE 100   3.311  21.807 -19.542
  699   1HD1  ILE 100          1HD1      ILE 100   2.212  20.361 -17.769
  700   2HD1  ILE 100          2HD1      ILE 100   1.982  19.882 -19.467
  701   3HD1  ILE 100          3HD1      ILE 100   1.788  18.685 -18.178
  702    H    LYS 101           H        LYS 101   7.038  21.261 -17.088
  703    HA   LYS 101           HA       LYS 101   8.671  23.216 -18.640
  704   1HB   LYS 101          2HB       LYS 101   7.624  23.178 -15.781
  705   2HB   LYS 101          3HB       LYS 101   8.848  24.294 -16.353
  706   1HG   LYS 101          2HG       LYS 101   6.853  25.521 -16.454
  707   2HG   LYS 101          3HG       LYS 101   7.385  25.170 -18.092
  708   1HD   LYS 101          2HD       LYS 101   5.114  24.890 -18.252
  709   2HD   LYS 101          3HD       LYS 101   5.634  23.234 -18.043
  710   1HE   LYS 101          2HE       LYS 101   4.399  25.091 -15.953
  711   2HE   LYS 101          3HE       LYS 101   3.649  23.677 -16.708
  712   1HZ   LYS 101          2HZ       LYS 101   5.365  22.331 -15.629
  713   2HZ   LYS 101          3HZ       LYS 101   5.903  23.675 -14.844
  714   3HZ   LYS 101          1HZ       LYS 101   4.378  23.121 -14.568
  715   1H5*    T   1          1H5*        T   1  -5.845  23.699 -15.142
  716   2H5*    T   1          2H5*        T   1  -4.172  23.249 -15.521
  717    H4*    T   1           H4*        T   1  -4.318  24.394 -13.345
  718    H3*    T   1           H3*        T   1  -2.967  21.961 -13.772
  719   1H2*    T   1          1H2*        T   1  -4.572  20.649 -12.651
  720   2H2*    T   1          2H2*        T   1  -3.552  21.052 -11.246
  721    H1*    T   1           H1*        T   1  -4.919  22.964 -10.695
  722    H3     T   1           H3         T   1  -8.133  20.711  -8.309
  723   1H5M    T   1          1H5M        T   1  -8.622  19.176 -13.468
  724   2H5M    T   1          2H5M        T   1  -9.656  18.548 -12.172
  725   3H5M    T   1          3H5M        T   1 -10.026  20.118 -12.912
  726    H6     T   1           H6         T   1  -6.998  20.892 -12.973
  727    H5T    T   1           H5T        T   1  -5.673  21.563 -15.927
  728   1H5*    T   2          1H5*        T   2  -2.421  23.275  -9.358
  729   2H5*    T   2          2H5*        T   2  -0.729  23.069  -8.877
  730    H4*    T   2           H4*        T   2  -2.099  22.006  -7.201
  731    H3*    T   2           H3*        T   2  -0.786  20.016  -9.076
  732   1H2*    T   2          1H2*        T   2  -2.164  18.430  -8.469
  733   2H2*    T   2          2H2*        T   2  -1.954  18.743  -6.720
  734    H1*    T   2           H1*        T   2  -3.696  20.222  -6.647
  735    H3     T   2           H3         T   2  -7.420  17.694  -7.246
  736   1H5M    T   2          1H5M        T   2  -6.665  17.923 -11.971
  737   2H5M    T   2          2H5M        T   2  -4.900  18.098 -12.066
  738   3H5M    T   2          3H5M        T   2  -5.623  16.545 -11.598
  739    H6     T   2           H6         T   2  -3.847  18.998 -10.169
  740   1H5*    G   3          1H5*        G   3  -0.166  19.697  -4.510
  741   2H5*    G   3          2H5*        G   3   1.304  18.807  -4.070
  742    H4*    G   3           H4*        G   3  -0.757  18.184  -2.791
  743    H3*    G   3           H3*        G   3   1.169  16.422  -3.511
  744   1H2*    G   3          1H2*        G   3   0.009  15.796  -5.598
  745   2H2*    G   3          2H2*        G   3  -0.504  14.480  -4.510
  746    H1*    G   3           H1*        G   3  -2.460  15.737  -3.814
  747    H8     G   3           H8         G   3  -1.212  15.887  -7.489
  748    H1     G   3           H1         G   3  -7.475  14.671  -6.686
  749   1H2     G   3           H21        G   3  -7.922  14.741  -4.410
  750   2H2     G   3           H22        G   3  -6.654  15.188  -3.294
  751   1H5*    G   4          1H5*        G   4  -1.875  15.905  -0.200
  752   2H5*    G   4          2H5*        G   4  -1.326  14.917   1.166
  753    H4*    G   4           H4*        G   4  -3.797  14.926   0.919
  754    H3*    G   4           H3*        G   4  -2.259  12.643   1.310
  755   1H2*    G   4          1H2*        G   4  -2.322  11.912  -0.954
  756   2H2*    G   4          2H2*        G   4  -3.785  11.080  -0.370
  757    H1*    G   4           H1*        G   4  -5.204  12.857  -1.092
  758    H8     G   4           H8         G   4  -1.898  13.211  -3.163
  759    H1     G   4           H1         G   4  -7.068  11.393  -6.520
  760   1H2     G   4           H21        G   4  -8.730  10.840  -5.001
  761   2H2     G   4           H22        G   4  -8.532  11.269  -3.315
  762   1H5*    A   5          1H5*        A   5  -6.853  11.632   0.979
  763   2H5*    A   5          2H5*        A   5  -7.274  10.413   2.200
  764    H4*    A   5           H4*        A   5  -8.282   9.861   0.048
  765    H3*    A   5           H3*        A   5  -6.578   8.010   1.467
  766   1H2*    A   5          1H2*        A   5  -4.971   8.050  -0.260
  767   2H2*    A   5          2H2*        A   5  -6.023   6.765  -0.923
  768    H1*    A   5           H1*        A   5  -7.364   8.434  -2.109
  769    H8     A   5           H8         A   5  -3.548   9.294  -1.816
  770   1H6     A   5           H61        A   5  -3.643   9.137  -8.001
  771   2H6     A   5           H62        A   5  -2.620   9.349  -6.574
  772    H2     A   5           H2         A   5  -7.704   8.115  -6.558
  773   1H5*    T   6          1H5*        T   6 -10.260   6.599  -1.415
  774   2H5*    T   6          2H5*        T   6 -10.824   5.048  -0.755
  775    H4*    T   6           H4*        T   6 -11.086   5.154  -3.225
  776    H3*    T   6           H3*        T   6  -9.790   3.040  -1.806
  777   1H2*    T   6          1H2*        T   6  -7.719   3.506  -2.619
  778   2H2*    T   6          2H2*        T   6  -8.220   2.470  -3.962
  779    H1*    T   6           H1*        T   6  -9.126   4.424  -5.192
  780    H3     T   6           H3         T   6  -5.277   5.408  -7.387
  781   1H5M    T   6          1H5M        T   6  -2.899   6.086  -3.426
  782   2H5M    T   6          2H5M        T   6  -4.184   6.376  -2.251
  783   3H5M    T   6          3H5M        T   6  -3.623   4.727  -2.536
  784    H6     T   6           H6         T   6  -6.464   5.250  -2.736
  785   1H5*    G   7          1H5*        G   7 -12.282   1.665  -6.098
  786   2H5*    G   7          2H5*        G   7 -12.731   0.029  -5.578
  787    H4*    G   7           H4*        G   7 -12.432   0.023  -7.964
  788    H3*    G   7           H3*        G   7 -11.078  -1.794  -6.323
  789   1H2*    G   7          1H2*        G   7  -9.026  -0.744  -6.400
  790   2H2*    G   7          2H2*        G   7  -8.781  -1.757  -7.823
  791    H1*    G   7           H1*        G   7  -9.388  -0.006  -9.345
  792    H8     G   7           H8         G   7  -8.770   1.591  -5.896
  793    H1     G   7           H1         G   7  -3.885   2.524  -9.932
  794   1H2     G   7           H21        G   7  -4.493   1.866 -12.026
  795   2H2     G   7           H22        G   7  -6.022   1.044 -12.278
  796   1H5*    G   8          1H5*        G   8  -9.933  -2.010 -10.707
  797   2H5*    G   8          2H5*        G   8 -10.016  -3.678 -11.312
  798    H4*    G   8           H4*        G   8  -8.012  -2.611 -12.178
  799    H3*    G   8           H3*        G   8  -7.932  -5.039 -10.592
  800   1H2*    G   8          1H2*        G   8  -6.676  -3.957  -8.911
  801   2H2*    G   8          2H2*        G   8  -5.313  -4.447  -9.936
  802    H1*    G   8           H1*        G   8  -5.473  -2.317 -11.185
  803    H8     G   8           H8         G   8  -6.497  -1.982  -7.435
  804    H1     G   8           H1         G   8  -0.879   0.750  -8.986
  805   1H2     G   8           H21        G   8  -0.459   0.311 -11.227
  806   2H2     G   8           H22        G   8  -1.653  -0.541 -12.191
  807   1H5*    G   9          1H5*        G   9  -4.738  -3.821 -13.962
  808   2H5*    G   9          2H5*        G   9  -4.498  -5.350 -14.832
  809    H4*    G   9           H4*        G   9  -2.495  -4.043 -15.055
  810    H3*    G   9           H3*        G   9  -2.443  -6.669 -14.110
  811   1H2*    G   9          1H2*        G   9  -2.311  -5.892 -11.788
  812   2H2*    G   9          2H2*        G   9  -0.628  -6.248 -12.164
  813    H1*    G   9           H1*        G   9  -0.253  -3.956 -12.919
  814    H8     G   9           H8         G   9  -2.922  -4.236 -10.073
  815    H1     G   9           H1         G   9   2.489  -1.189  -8.460
  816   1H2     G   9           H21        G   9   3.873  -1.115 -10.351
  817   2H2     G   9           H22        G   9   3.302  -1.760 -11.881
  818   1H5*    A  10          1H5*        A  10   1.579  -4.311 -15.410
  819   2H5*    A  10          2H5*        A  10   2.349  -5.521 -16.453
  820    H4*    A  10           H4*        A  10   3.975  -3.906 -15.602
  821    H3*    A  10           H3*        A  10   4.348  -6.676 -15.568
  822   1H2*    A  10          1H2*        A  10   3.922  -6.945 -13.283
  823   2H2*    A  10          2H2*        A  10   5.668  -6.661 -13.154
  824    H1*    A  10           H1*        A  10   5.366  -4.317 -12.701
  825    H8     A  10           H8         A  10   2.151  -6.338 -11.941
  826   1H6     A  10           H61        A  10   2.476  -4.089  -6.234
  827   2H6     A  10           H62        A  10   1.586  -5.078  -7.380
  828    H2     A  10           H2         A  10   6.125  -2.723  -8.464
  829   1H5*    G  11          1H5*        G  11   7.748  -4.122 -13.868
  830   2H5*    G  11          2H5*        G  11   9.377  -4.712 -14.260
  831    H4*    G  11           H4*        G  11   9.141  -4.041 -11.898
  832    H3*    G  11           H3*        G  11  10.125  -6.668 -12.712
  833   1H2*    G  11          1H2*        G  11   8.444  -7.737 -11.442
  834   2H2*    G  11          2H2*        G  11   9.582  -7.445 -10.097
  835    H1*    G  11           H1*        G  11   8.552  -5.251  -9.680
  836    H8     G  11           H8         G  11   5.870  -7.805 -11.001
  837    H1     G  11           H1         G  11   5.241  -5.957  -4.870
  838   1H2     G  11           H21        G  11   7.154  -4.784  -4.290
  839   2H2     G  11           H22        G  11   8.250  -4.252  -5.549
  840   1H5*    A  12          1H5*        A  12  11.831  -3.874  -9.211
  841   2H5*    A  12          2H5*        A  12  13.580  -4.171  -9.231
  842    H4*    A  12           H4*        A  12  12.810  -3.374  -7.038
  843    H3*    A  12           H3*        A  12  14.526  -5.537  -7.394
  844   1H2*    A  12          1H2*        A  12  12.853  -7.193  -7.110
  845   2H2*    A  12          2H2*        A  12  13.408  -7.059  -5.427
  846    H1*    A  12           H1*        A  12  11.668  -5.501  -4.870
  847    H8     A  12           H8         A  12  10.632  -7.559  -8.036
  848   1H6     A  12           H61        A  12   5.754  -9.335  -4.735
  849   2H6     A  12           H62        A  12   6.631  -9.462  -6.264
  850    H2     A  12           H2         A  12   8.336  -6.817  -2.091
  851   1H5*    C  13          1H5*        C  13  13.446  -4.288  -2.914
  852   2H5*    C  13          2H5*        C  13  14.928  -4.368  -1.937
  853    H4*    C  13           H4*        C  13  12.939  -5.110  -0.676
  854    H3*    C  13           H3*        C  13  15.365  -6.662  -0.927
  855   1H2*    C  13          1H2*        C  13  14.293  -8.449  -1.941
  856   2H2*    C  13          2H2*        C  13  13.851  -8.891  -0.278
  857    H1*    C  13           H1*        C  13  11.780  -7.628  -0.408
  858   1H4     C  13           H41        C  13   9.730 -11.222  -5.710
  859   2H4     C  13           H42        C  13   8.572 -11.441  -4.412
  860    H5     C  13           H5         C  13  11.823  -9.932  -5.379
  861    H6     C  13           H6         C  13  13.021  -8.532  -3.816
  862   1H5*    C  14          1H5*        C  14  12.331  -7.705   2.434
  863   2H5*    C  14          2H5*        C  14  13.108  -8.276   3.926
  864    H4*    C  14           H4*        C  14  11.160  -9.668   3.209
  865    H3*    C  14           H3*        C  14  13.885 -10.892   3.450
  866   1H2*    C  14          1H2*        C  14  13.385 -12.444   1.891
  867   2H2*    C  14          2H2*        C  14  11.994 -13.002   2.856
  868    H1*    C  14           H1*        C  14  10.478 -11.546   1.831
  869   1H4     C  14           H41        C  14  12.379 -13.053  -4.400
  870   2H4     C  14           H42        C  14  10.787 -13.746  -4.132
  871    H5     C  14           H5         C  14  13.602 -11.874  -2.605
  872    H6     C  14           H6         C  14  13.437 -11.130  -0.274
  873   1H5*    G  15          1H5*        G  15  10.171 -13.097   4.981
  874   2H5*    G  15          2H5*        G  15  10.504 -14.105   6.405
  875    H4*    G  15           H4*        G  15   9.191 -15.327   4.720
  876    H3*    G  15           H3*        G  15  11.831 -16.328   5.612
  877   1H2*    G  15          1H2*        G  15  12.520 -16.712   3.454
  878   2H2*    G  15          2H2*        G  15  11.404 -18.108   3.504
  879    H1*    G  15           H1*        G  15   9.590 -16.778   2.603
  880    H8     G  15           H8         G  15  13.093 -15.391   1.532
  881    H1     G  15           H1         G  15   9.284 -17.187  -3.325
  882   1H2     G  15           H21        G  15   7.305 -17.999  -2.441
  883   2H2     G  15           H22        G  15   7.074 -18.048  -0.706
  884    H3T    G  15           H3T        G  15   9.832 -17.108   6.374
  885   1H5*    C  16          1H5*        C  16   5.233 -22.690  -8.419
  886   2H5*    C  16          2H5*        C  16   3.777 -22.021  -9.183
  887    H4*    C  16           H4*        C  16   4.214 -21.180  -6.824
  888    H3*    C  16           H3*        C  16   4.000 -19.289  -9.164
  889   1H2*    C  16          1H2*        C  16   5.204 -17.723  -8.116
  890   2H2*    C  16          2H2*        C  16   4.169 -17.791  -6.662
  891    H1*    C  16           H1*        C  16   5.414 -19.440  -5.625
  892   1H4     C  16           H41        C  16  11.204 -16.238  -6.794
  893   2H4     C  16           H42        C  16  10.920 -16.202  -5.065
  894    H5     C  16           H5         C  16   9.620 -17.267  -8.360
  895    H6     C  16           H6         C  16   7.527 -18.455  -8.536
  896    H5T    C  16           H5T        C  16   6.378 -20.933  -9.405
  897   1H5*    G  17          1H5*        G  17   2.014 -19.285  -5.175
  898   2H5*    G  17          2H5*        G  17   0.376 -18.618  -5.142
  899    H4*    G  17           H4*        G  17   1.597 -18.189  -3.051
  900    H3*    G  17           H3*        G  17   0.201 -16.169  -4.417
  901   1H2*    G  17          1H2*        G  17   2.210 -15.247  -5.336
  902   2H2*    G  17          2H2*        G  17   2.039 -14.236  -3.878
  903    H1*    G  17           H1*        G  17   3.385 -15.796  -2.568
  904    H8     G  17           H8         G  17   4.342 -15.520  -6.337
  905    H1     G  17           H1         G  17   8.996 -13.966  -2.193
  906   1H2     G  17           H21        G  17   8.164 -14.237  -0.036
  907   2H2     G  17           H22        G  17   6.532 -14.822   0.205
  908   1H5*    G  18          1H5*        G  18   1.085 -16.130   0.217
  909   2H5*    G  18          2H5*        G  18  -0.306 -15.364   1.008
  910    H4*    G  18           H4*        G  18   1.746 -15.190   2.358
  911    H3*    G  18           H3*        G  18   0.032 -13.068   1.877
  912   1H2*    G  18          1H2*        G  18   1.319 -12.097   0.165
  913   2H2*    G  18          2H2*        G  18   2.026 -11.221   1.544
  914    H1*    G  18           H1*        G  18   3.860 -12.731   1.710
  915    H8     G  18           H8         G  18   2.336 -13.154  -1.871
  916    H1     G  18           H1         G  18   8.262 -10.719  -1.813
  917   1H2     G  18           H21        G  18   8.777 -10.125   0.361
  918   2H2     G  18           H22        G  18   7.763 -10.665   1.688
  919   1H5*    T  19          1H5*        T  19   3.704 -11.481   4.342
  920   2H5*    T  19          2H5*        T  19   3.144 -10.319   5.564
  921    H4*    T  19           H4*        T  19   5.034  -9.437   4.269
  922    H3*    T  19           H3*        T  19   2.436  -8.023   4.298
  923   1H2*    T  19          1H2*        T  19   2.501  -7.744   2.036
  924   2H2*    T  19          2H2*        T  19   3.732  -6.514   2.328
  925    H1*    T  19           H1*        T  19   5.536  -8.159   2.169
  926    H3     T  19           H3         T  19   6.170  -8.309  -2.385
  927   1H5M    T  19          1H5M        T  19   1.181  -8.872  -2.204
  928   2H5M    T  19          2H5M        T  19   1.980 -10.232  -3.043
  929   3H5M    T  19          3H5M        T  19   1.337 -10.453  -1.411
  930    H6     T  19           H6         T  19   2.467  -9.318   0.484
  931   1H5*    C  20          1H5*        C  20   6.448  -5.982   3.837
  932   2H5*    C  20          2H5*        C  20   6.598  -4.299   4.385
  933    H4*    C  20           H4*        C  20   7.508  -4.750   2.084
  934    H3*    C  20           H3*        C  20   5.246  -2.785   2.427
  935   1H2*    C  20          1H2*        C  20   4.812  -2.831   0.205
  936   2H2*    C  20          2H2*        C  20   6.542  -2.690  -0.230
  937    H1*    C  20           H1*        C  20   6.927  -4.937  -0.242
  938   1H4     C  20           H41        C  20   1.536  -6.829  -3.669
  939   2H4     C  20           H42        C  20   2.887  -6.696  -4.780
  940    H5     C  20           H5         C  20   1.758  -6.185  -1.275
  941    H6     C  20           H6         C  20   3.302  -5.374   0.389
  942   1H5*    T  21          1H5*        T  21   9.168  -2.031   0.343
  943   2H5*    T  21          2H5*        T  21   9.763  -0.363   0.469
  944    H4*    T  21           H4*        T  21  10.143  -1.362  -1.774
  945    H3*    T  21           H3*        T  21   8.935   1.194  -1.300
  946   1H2*    T  21          1H2*        T  21   6.875   0.570  -2.161
  947   2H2*    T  21          2H2*        T  21   7.634   1.012  -3.709
  948    H1*    T  21           H1*        T  21   8.430  -1.262  -4.051
  949    H3     T  21           H3         T  21   4.731  -2.957  -6.130
  950   1H5M    T  21          1H5M        T  21   3.249  -1.557  -1.076
  951   2H5M    T  21          2H5M        T  21   2.110  -1.567  -2.435
  952   3H5M    T  21          3H5M        T  21   2.649  -3.095  -1.749
  953    H6     T  21           H6         T  21   5.514  -1.198  -1.726
  954   1H5*    C  22          1H5*        C  22  10.356   0.193  -5.791
  955   2H5*    C  22          2H5*        C  22  11.027   1.671  -6.512
  956    H4*    C  22           H4*        C  22   9.557   0.436  -8.096
  957    H3*    C  22           H3*        C  22   9.072   3.221  -7.316
  958   1H2*    C  22          1H2*        C  22   6.872   2.924  -6.941
  959   2H2*    C  22          2H2*        C  22   6.645   2.770  -8.692
  960    H1*    C  22           H1*        C  22   6.997   0.391  -8.654
  961   1H4     C  22           H41        C  22   1.847   0.026  -4.330
  962   2H4     C  22           H42        C  22   1.381  -0.770  -5.826
  963    H5     C  22           H5         C  22   4.059   1.124  -4.093
  964    H6     C  22           H6         C  22   6.147   1.600  -5.250
  965   1H5*    C  23          1H5*        C  23   7.545   2.129 -11.577
  966   2H5*    C  23          2H5*        C  23   7.455   3.584 -12.598
  967    H4*    C  23           H4*        C  23   5.411   2.371 -12.695
  968    H3*    C  23           H3*        C  23   5.080   4.885 -11.034
  969   1H2*    C  23          1H2*        C  23   2.859   4.332 -10.881
  970   2H2*    C  23          2H2*        C  23   2.815   3.486 -12.460
  971    H1*    C  23           H1*        C  23   3.395   1.498 -11.631
  972   1H4     C  23           H41        C  23   0.591   2.554  -5.613
  973   2H4     C  23           H42        C  23  -0.509   1.581  -6.556
  974    H5     C  23           H5         C  23   2.754   3.329  -6.537
  975    H6     C  23           H6         C  23   4.140   3.354  -8.524
  976   1H5*    C  24          1H5*        C  24   3.195   3.706 -14.897
  977   2H5*    C  24          2H5*        C  24   2.955   5.083 -15.990
  978    H4*    C  24           H4*        C  24   1.136   3.436 -16.212
  979    H3*    C  24           H3*        C  24   0.785   6.248 -15.650
  980   1H2*    C  24          1H2*        C  24  -0.348   5.964 -13.717
  981   2H2*    C  24          2H2*        C  24  -1.757   5.588 -14.748
  982    H1*    C  24           H1*        C  24  -1.393   3.235 -14.571
  983   1H4     C  24           H41        C  24  -0.870   3.833  -7.879
  984   2H4     C  24           H42        C  24  -2.473   3.229  -8.192
  985    H5     C  24           H5         C  24   0.614   4.506  -9.665
  986    H6     C  24           H6         C  24   0.882   4.693 -12.055
  987   1H5*    A  25          1H5*        A  25  -2.884   3.991 -17.046
  988   2H5*    A  25          2H5*        A  25  -3.766   4.846 -18.331
  989    H4*    A  25           H4*        A  25  -5.295   3.951 -16.610
  990    H3*    A  25           H3*        A  25  -5.223   6.733 -17.433
  991   1H2*    A  25          1H2*        A  25  -4.766   7.528 -15.322
  992   2H2*    A  25          2H2*        A  25  -6.508   7.311 -15.035
  993    H1*    A  25           H1*        A  25  -6.164   5.109 -14.100
  994    H8     A  25           H8         A  25  -2.954   7.335 -13.825
  995   1H6     A  25           H61        A  25  -3.174   6.204  -7.764
  996   2H6     A  25           H62        A  25  -2.296   6.939  -9.103
  997    H2     A  25           H2         A  25  -6.860   4.458  -9.633
  998   1H5*    T  26          1H5*        T  26  -8.681   4.818 -15.290
  999   2H5*    T  26          2H5*        T  26 -10.308   5.380 -15.729
 1000    H4*    T  26           H4*        T  26  -9.967   5.114 -13.275
 1001    H3*    T  26           H3*        T  26 -10.701   7.760 -14.481
 1002   1H2*    T  26          1H2*        T  26  -9.619   8.898 -12.856
 1003   2H2*    T  26          2H2*        T  26 -10.663   8.136 -11.629
 1004    H1*    T  26           H1*        T  26  -9.202   6.326 -11.286
 1005    H3     T  26           H3         T  26  -6.204   8.352  -8.525
 1006   1H5M    T  26          1H5M        T  26  -5.003  11.021 -12.465
 1007   2H5M    T  26          2H5M        T  26  -3.776   9.750 -12.326
 1008   3H5M    T  26          3H5M        T  26  -4.965   9.686 -13.637
 1009    H6     T  26           H6         T  26  -7.076   8.672 -13.231
 1010   1H5*    C  27          1H5*        C  27 -12.436   6.038 -10.708
 1011   2H5*    C  27          2H5*        C  27 -14.149   6.406 -10.412
 1012    H4*    C  27           H4*        C  27 -12.746   6.642  -8.371
 1013    H3*    C  27           H3*        C  27 -14.432   8.789  -9.451
 1014   1H2*    C  27          1H2*        C  27 -12.756  10.353  -9.350
 1015   2H2*    C  27          2H2*        C  27 -13.014  10.334  -7.587
 1016    H1*    C  27           H1*        C  27 -11.351   8.621  -7.271
 1017   1H4     C  27           H41        C  27  -6.549  12.170 -10.316
 1018   2H4     C  27           H42        C  27  -6.090  11.982  -8.642
 1019    H5     C  27           H5         C  27  -8.671  11.282 -11.216
 1020    H6     C  27           H6         C  27 -10.713  10.133 -10.635
 1021   1H5*    C  28          1H5*        C  28 -13.646   8.925  -4.845
 1022   2H5*    C  28          2H5*        C  28 -15.052   9.609  -3.998
 1023    H4*    C  28           H4*        C  28 -12.975  10.756  -3.335
 1024    H3*    C  28           H3*        C  28 -14.939  12.366  -4.989
 1025   1H2*    C  28          1H2*        C  28 -13.403  13.962  -5.358
 1026   2H2*    C  28          2H2*        C  28 -12.805  13.937  -3.672
 1027    H1*    C  28           H1*        C  28 -11.217  12.377  -4.045
 1028   1H4     C  28           H41        C  28  -9.263  14.269 -10.155
 1029   2H4     C  28           H42        C  28  -7.987  14.720  -9.050
 1030    H5     C  28           H5         C  28 -11.409  13.322  -9.407
 1031    H6     C  28           H6         C  28 -12.660  12.595  -7.453
 1032   1H5*    A  29          1H5*        A  29 -13.384  13.517  -0.840
 1033   2H5*    A  29          2H5*        A  29 -14.549  14.469   0.100
 1034    H4*    A  29           H4*        A  29 -12.156  15.173   0.335
 1035    H3*    A  29           H3*        A  29 -14.313  16.908   0.234
 1036   1H2*    A  29          1H2*        A  29 -14.094  17.292  -2.103
 1037   2H2*    A  29          2H2*        A  29 -13.187  18.684  -1.488
 1038    H1*    A  29           H1*        A  29 -11.081  17.491  -1.615
 1039    H8     A  29           H8         A  29 -13.841  16.648  -4.216
 1040   1H6     A  29           H61        A  29  -9.404  17.134  -8.485
 1041   2H6     A  29           H62        A  29 -11.112  16.879  -8.155
 1042    H2     A  29           H2         A  29  -7.536  17.805  -4.458
 1043   1H5*    A  30          1H5*        A  30  -9.856  18.357   1.304
 1044   2H5*    A  30          2H5*        A  30  -9.988  19.671   2.487
 1045    H4*    A  30           H4*        A  30  -7.962  19.858   1.106
 1046    H3*    A  30           H3*        A  30  -9.716  22.009   1.612
 1047   1H2*    A  30          1H2*        A  30 -10.690  21.990  -0.537
 1048   2H2*    A  30          2H2*        A  30  -9.333  23.110  -0.852
 1049    H1*    A  30           H1*        A  30  -7.938  21.317  -1.664
 1050    H8     A  30           H8         A  30 -11.725  20.426  -2.041
 1051   1H6     A  30           H61        A  30 -10.547  19.988  -8.072
 1052   2H6     A  30           H62        A  30 -11.764  19.920  -6.798
 1053    H2     A  30           H2         A  30  -6.766  21.249  -6.026
 1054    H3T    A  30           H3T        A  30  -7.167  21.932   0.344
   
  No H/Q in entry =        1054
  Start of MODEL   17
    1    H    MET   1           H        MET   1   2.487 -14.774  -9.036
    2    HA   MET   1           HA       MET   1   3.999 -13.679 -10.688
    3   1HB   MET   1          2HB       MET   1   5.762 -16.084 -10.003
    4   2HB   MET   1          3HB       MET   1   6.083 -14.865 -11.251
    5   1HG   MET   1          2HG       MET   1   5.955 -14.408  -8.246
    6   2HG   MET   1          3HG       MET   1   7.399 -14.385  -9.260
    7   1HE   MET   1          1HE       MET   1   6.630 -12.226  -7.140
    8   2HE   MET   1          3HE       MET   1   8.101 -12.048  -8.134
    9   3HE   MET   1          2HE       MET   1   6.954 -10.696  -7.991
   10    H    LYS  11           H        LYS  11   3.338 -17.077 -10.014
   11    HA   LYS  11           HA       LYS  11   2.790 -17.896 -12.734
   12   1HB   LYS  11          2HB       LYS  11   3.223 -19.533 -10.902
   13   2HB   LYS  11          3HB       LYS  11   1.790 -18.943 -10.060
   14   1HG   LYS  11          2HG       LYS  11   0.589 -19.608 -12.418
   15   2HG   LYS  11          3HG       LYS  11   2.019 -20.614 -12.568
   16   1HD   LYS  11          2HD       LYS  11   0.153 -21.854 -11.630
   17   2HD   LYS  11          3HD       LYS  11   1.446 -21.736 -10.435
   18   1HE   LYS  11          2HE       LYS  11  -0.930 -21.411  -9.586
   19   2HE   LYS  11          3HE       LYS  11   0.205 -20.142  -9.116
   20   1HZ   LYS  11          3HZ       LYS  11  -1.659 -19.919 -11.369
   21   2HZ   LYS  11          1HZ       LYS  11  -1.912 -19.313  -9.855
   22   3HZ   LYS  11          2HZ       LYS  11  -0.675 -18.738 -10.766
   23    H    ARG  12           H        ARG  12   1.194 -16.856 -13.887
   24    HA   ARG  12           HA       ARG  12  -0.731 -15.188 -12.831
   25   1HB   ARG  12          2HB       ARG  12  -0.390 -16.593 -15.460
   26   2HB   ARG  12          3HB       ARG  12  -1.961 -15.890 -15.119
   27   1HG   ARG  12          2HG       ARG  12  -0.549 -14.321 -16.344
   28   2HG   ARG  12          3HG       ARG  12  -1.053 -13.700 -14.769
   29   1HD   ARG  12          2HD       ARG  12   1.171 -14.342 -13.837
   30   2HD   ARG  12          3HD       ARG  12   1.691 -14.849 -15.455
   31    HE   ARG  12           HE       ARG  12   0.803 -12.294 -15.849
   32   1HH1  ARG  12          1HH1      ARG  12   3.136 -13.713 -13.539
   33   2HH1  ARG  12          2HH1      ARG  12   4.130 -12.283 -13.518
   34   1HH2  ARG  12          2HH2      ARG  12   2.081 -10.437 -15.735
   35   2HH2  ARG  12          1HH2      ARG  12   3.531 -10.401 -14.762
   36    H    TYR  13           H        TYR  13  -2.296 -15.602 -11.442
   37    HA   TYR  13           HA       TYR  13  -3.669 -18.184 -11.159
   38   1HB   TYR  13          2HB       TYR  13  -4.040 -15.431  -9.884
   39   2HB   TYR  13          3HB       TYR  13  -4.976 -16.864  -9.467
   40    HD1  TYR  13           HD1      TYR  13  -1.453 -15.544  -9.490
   41    HD2  TYR  13           HD2      TYR  13  -4.297 -18.272  -7.733
   42    HE1  TYR  13           HE1      TYR  13   0.246 -16.271  -7.851
   43    HE2  TYR  13           HE2      TYR  13  -2.648 -18.876  -6.008
   44    HH   TYR  13           HH       TYR  13  -0.354 -18.847  -5.468
   45    H    ILE  14           H        ILE  14  -5.606 -18.627 -12.228
   46    HA   ILE  14           HA       ILE  14  -6.583 -16.591 -14.127
   47    HB   ILE  14           HB       ILE  14  -7.091 -19.575 -14.097
   48   1HG1  ILE  14          2HG1      ILE  14  -4.908 -17.831 -15.273
   49   2HG1  ILE  14          3HG1      ILE  14  -4.740 -19.325 -14.340
   50   1HG2  ILE  14          2HG2      ILE  14  -8.758 -18.213 -15.390
   51   2HG2  ILE  14          3HG2      ILE  14  -7.407 -17.482 -16.290
   52   3HG2  ILE  14          1HG2      ILE  14  -7.771 -19.216 -16.429
   53   1HD1  ILE  14          3HD1      ILE  14  -5.716 -20.548 -16.336
   54   2HD1  ILE  14          1HD1      ILE  14  -5.610 -18.996 -17.225
   55   3HD1  ILE  14          2HD1      ILE  14  -4.144 -19.763 -16.606
   56    H    CYS  15           H        CYS  15  -8.627 -15.928 -14.326
   57    HA   CYS  15           HA       CYS  15 -10.326 -15.723 -12.056
   58   1HB   CYS  15          2HB       CYS  15 -10.113 -14.068 -13.802
   59   2HB   CYS  15          3HB       CYS  15 -10.734 -15.199 -15.002
   60    H    SER  16           H        SER  16 -11.583 -17.196 -11.164
   61    HA   SER  16           HA       SER  16 -12.084 -19.734 -11.963
   62   1HB   SER  16          2HB       SER  16 -14.039 -18.070 -10.338
   63   2HB   SER  16          3HB       SER  16 -13.572 -19.765 -10.104
   64    HG   SER  16           HG       SER  16 -11.451 -18.970  -9.573
   65    H    PHE  17           H        PHE  17 -13.930 -16.856 -12.860
   66    HA   PHE  17           HA       PHE  17 -16.233 -18.230 -13.952
   67   1HB   PHE  17          2HB       PHE  17 -15.131 -15.442 -14.400
   68   2HB   PHE  17          3HB       PHE  17 -16.686 -16.014 -14.975
   69    HD1  PHE  17           HD2      PHE  17 -18.561 -16.434 -13.420
   70    HD2  PHE  17           HD1      PHE  17 -14.790 -14.875 -12.008
   71    HE1  PHE  17           HE2      PHE  17 -19.632 -15.733 -11.299
   72    HE2  PHE  17           HE1      PHE  17 -15.863 -14.221  -9.880
   73    HZ   PHE  17           HZ       PHE  17 -18.284 -14.640  -9.520
   74    H    ALA  18           H        ALA  18 -14.915 -19.852 -15.072
   75    HA   ALA  18           HA       ALA  18 -13.145 -19.519 -17.184
   76   1HB   ALA  18          3HB       ALA  18 -13.547 -21.618 -15.989
   77   2HB   ALA  18          1HB       ALA  18 -15.161 -21.745 -16.727
   78   3HB   ALA  18          2HB       ALA  18 -13.707 -21.846 -17.743
   79    H    ASP  19           H        ASP  19 -14.229 -17.661 -18.099
   80    HA   ASP  19           HA       ASP  19 -15.198 -18.024 -20.782
   81   1HB   ASP  19          2HB       ASP  19 -17.120 -17.038 -18.609
   82   2HB   ASP  19          3HB       ASP  19 -17.256 -16.498 -20.289
   83    H    CYS  20           H        CYS  20 -15.091 -15.955 -17.882
   84    HA   CYS  20           HA       CYS  20 -13.999 -13.592 -19.290
   85   1HB   CYS  20          2HB       CYS  20 -15.633 -13.324 -17.627
   86   2HB   CYS  20          3HB       CYS  20 -14.707 -14.318 -16.471
   87    H    GLY  21           H        GLY  21 -12.515 -15.060 -19.975
   88   1HA   GLY  21          2HA       GLY  21 -10.500 -16.487 -18.513
   89   2HA   GLY  21          3HA       GLY  21 -10.369 -16.020 -20.213
   90    H    ALA  22           H        ALA  22 -10.386 -14.237 -17.092
   91    HA   ALA  22           HA       ALA  22  -8.068 -12.589 -17.951
   92   1HB   ALA  22          2HB       ALA  22 -10.098 -11.501 -16.968
   93   2HB   ALA  22          1HB       ALA  22  -9.812 -12.397 -15.458
   94   3HB   ALA  22          3HB       ALA  22  -8.618 -11.215 -16.036
   95    H    ALA  23           H        ALA  23  -6.122 -12.518 -16.566
   96    HA   ALA  23           HA       ALA  23  -5.908 -14.489 -14.448
   97   1HB   ALA  23          3HB       ALA  23  -5.529 -15.810 -16.537
   98   2HB   ALA  23          1HB       ALA  23  -4.193 -14.716 -16.960
   99   3HB   ALA  23          2HB       ALA  23  -4.095 -15.726 -15.498
  100    H    TYR  24           H        TYR  24  -4.133 -13.956 -13.023
  101    HA   TYR  24           HA       TYR  24  -2.389 -11.696 -13.837
  102   1HB   TYR  24          2HB       TYR  24  -4.169 -11.571 -11.375
  103   2HB   TYR  24          3HB       TYR  24  -3.005 -10.358 -11.903
  104    HD1  TYR  24           HD2      TYR  24  -3.494  -8.906 -13.870
  105    HD2  TYR  24           HD1      TYR  24  -6.336 -11.816 -12.480
  106    HE1  TYR  24           HE2      TYR  24  -5.300  -7.695 -15.054
  107    HE2  TYR  24           HE1      TYR  24  -8.098 -10.728 -13.800
  108    HH   TYR  24           HH       TYR  24  -7.554  -7.586 -15.470
  109    H    ASN  25           H        ASN  25  -0.606 -11.375 -12.624
  110    HA   ASN  25           HA       ASN  25   0.981 -13.348 -11.835
  111   1HB   ASN  25          2HB       ASN  25   2.351 -11.776 -10.666
  112   2HB   ASN  25          3HB       ASN  25   1.690 -10.997 -12.108
  113   1HD2  ASN  25          1HD2      ASN  25   1.299  -8.735  -9.001
  114   2HD2  ASN  25          2HD2      ASN  25   2.711  -9.624  -9.489
  115    H    LYS  26           H        LYS  26  -1.002 -11.658  -9.349
  116    HA   LYS  26           HA       LYS  26  -0.256 -13.858  -7.454
  117   1HB   LYS  26          2HB       LYS  26  -0.640 -10.878  -7.046
  118   2HB   LYS  26          3HB       LYS  26  -0.523 -12.031  -5.709
  119   1HG   LYS  26          2HG       LYS  26   1.652 -11.826  -7.826
  120   2HG   LYS  26          3HG       LYS  26   1.615 -10.790  -6.403
  121   1HD   LYS  26          2HD       LYS  26   1.692 -12.741  -4.901
  122   2HD   LYS  26          3HD       LYS  26   1.572 -13.856  -6.270
  123   1HE   LYS  26          2HE       LYS  26   3.860 -13.695  -5.512
  124   2HE   LYS  26          3HE       LYS  26   3.695 -13.086  -7.170
  125   1HZ   LYS  26          3HZ       LYS  26   3.775 -11.365  -4.787
  126   2HZ   LYS  26          1HZ       LYS  26   5.058 -11.725  -5.742
  127   3HZ   LYS  26          2HZ       LYS  26   3.782 -10.880  -6.366
  128    H    ASN  27           H        ASN  27  -1.605 -14.416  -5.828
  129    HA   ASN  27           HA       ASN  27  -4.265 -14.930  -6.483
  130   1HB   ASN  27          2HB       ASN  27  -2.900 -16.142  -4.780
  131   2HB   ASN  27          3HB       ASN  27  -2.995 -14.726  -3.718
  132   1HD2  ASN  27          1HD2      ASN  27  -5.712 -16.583  -2.304
  133   2HD2  ASN  27          2HD2      ASN  27  -4.000 -16.195  -2.136
  134    H    TRP  28           H        TRP  28  -2.929 -12.345  -4.363
  135    HA   TRP  28           HA       TRP  28  -5.386 -11.092  -3.623
  136   1HB   TRP  28          2HB       TRP  28  -4.087  -9.214  -3.015
  137   2HB   TRP  28          3HB       TRP  28  -3.280 -10.681  -2.491
  138    HD1  TRP  28           HD1      TRP  28  -0.801 -10.923  -3.133
  139    HE1  TRP  28           HE1      TRP  28   0.874  -9.664  -4.594
  140    HE3  TRP  28           HE3      TRP  28  -3.998  -7.576  -5.358
  141    HZ2  TRP  28           HZ2      TRP  28   0.806  -7.599  -6.606
  142    HZ3  TRP  28           HZ3      TRP  28  -3.168  -6.016  -7.072
  143    HH2  TRP  28           HH2      TRP  28  -0.794  -5.970  -7.672
  144    H    LYS  29           H        LYS  29  -3.270 -10.726  -6.493
  145    HA   LYS  29           HA       LYS  29  -4.607  -8.448  -7.566
  146   1HB   LYS  29          2HB       LYS  29  -2.280  -9.587  -8.143
  147   2HB   LYS  29          3HB       LYS  29  -3.229 -10.511  -9.305
  148   1HG   LYS  29          2HG       LYS  29  -2.736  -7.506  -9.198
  149   2HG   LYS  29          3HG       LYS  29  -2.224  -8.647 -10.410
  150   1HD   LYS  29          2HD       LYS  29  -3.963  -7.921 -11.598
  151   2HD   LYS  29          3HD       LYS  29  -4.905  -9.041 -10.631
  152   1HE   LYS  29          2HE       LYS  29  -4.867  -6.787  -8.999
  153   2HE   LYS  29          3HE       LYS  29  -4.674  -6.080 -10.599
  154   1HZ   LYS  29          3HZ       LYS  29  -6.819  -7.925  -9.804
  155   2HZ   LYS  29          1HZ       LYS  29  -6.983  -6.284  -9.905
  156   3HZ   LYS  29          2HZ       LYS  29  -6.691  -7.164 -11.268
  157    H    LEU  30           H        LEU  30  -4.892 -11.988  -8.100
  158    HA   LEU  30           HA       LEU  30  -7.039 -11.763  -9.896
  159   1HB   LEU  30          2HB       LEU  30  -5.728 -13.857  -9.515
  160   2HB   LEU  30          3HB       LEU  30  -6.555 -14.050  -7.960
  161    HG   LEU  30           HG       LEU  30  -8.757 -14.077  -9.185
  162   1HD1  LEU  30          3HD1      LEU  30  -6.921 -13.972 -11.620
  163   2HD1  LEU  30          2HD1      LEU  30  -8.583 -14.543 -11.691
  164   3HD1  LEU  30          1HD1      LEU  30  -8.281 -12.883 -11.247
  165   1HD2  LEU  30          1HD2      LEU  30  -7.459 -16.168  -8.584
  166   2HD2  LEU  30          2HD2      LEU  30  -8.640 -16.317  -9.897
  167   3HD2  LEU  30          3HD2      LEU  30  -6.916 -16.197 -10.279
  168    H    GLN  31           H        GLN  31  -7.047 -11.916  -6.294
  169    HA   GLN  31           HA       GLN  31  -9.883 -11.981  -6.003
  170   1HB   GLN  31          2HB       GLN  31  -7.898 -10.578  -4.171
  171   2HB   GLN  31          3HB       GLN  31  -9.578 -10.958  -3.845
  172   1HG   GLN  31          2HG       GLN  31  -7.189 -12.762  -3.813
  173   2HG   GLN  31          3HG       GLN  31  -8.570 -12.707  -2.738
  174   1HE2  GLN  31          1HE2      GLN  31  -8.540 -15.263  -5.910
  175   2HE2  GLN  31          2HE2      GLN  31  -7.198 -14.171  -5.580
  176    H    ALA  32           H        ALA  32  -7.661  -9.201  -6.351
  177    HA   ALA  32           HA       ALA  32  -9.708  -7.210  -6.211
  178   1HB   ALA  32          2HB       ALA  32  -7.027  -7.222  -7.656
  179   2HB   ALA  32          3HB       ALA  32  -8.012  -5.772  -7.367
  180   3HB   ALA  32          1HB       ALA  32  -7.330  -6.684  -5.995
  181    H    HIS  33           H        HIS  33  -8.617  -9.192  -8.991
  182    HA   HIS  33           HA       HIS  33 -10.389  -7.775 -10.813
  183   1HB   HIS  33          2HB       HIS  33  -8.582  -9.086 -11.682
  184   2HB   HIS  33          3HB       HIS  33  -9.211 -10.555 -10.937
  185    HD1  HIS  33           HD1      HIS  33  -9.530  -8.536 -14.088
  186    HD2  HIS  33           HD2      HIS  33 -11.607 -11.535 -11.982
  187    HE1  HIS  33           HE1      HIS  33 -11.307  -9.448 -15.669
  188    H    LEU  34           H        LEU  34 -10.731 -10.901  -9.051
  189    HA   LEU  34           HA       LEU  34 -13.339 -11.508  -9.788
  190   1HB   LEU  34          2HB       LEU  34 -11.933 -12.120  -7.186
  191   2HB   LEU  34          3HB       LEU  34 -13.456 -12.847  -7.677
  192    HG   LEU  34           HG       LEU  34 -10.960 -13.102  -9.382
  193   1HD1  LEU  34          1HD1      LEU  34 -12.041 -14.985  -7.240
  194   2HD1  LEU  34          2HD1      LEU  34 -10.735 -15.371  -8.378
  195   3HD1  LEU  34          3HD1      LEU  34 -10.511 -14.088  -7.177
  196   1HD2  LEU  34          1HD2      LEU  34 -13.552 -14.699  -9.289
  197   2HD2  LEU  34          2HD2      LEU  34 -13.084 -13.559 -10.573
  198   3HD2  LEU  34          3HD2      LEU  34 -12.157 -15.042 -10.326
  199    H    SER  35           H        SER  35 -12.302  -9.231  -7.251
  200    HA   SER  35           HA       SER  35 -14.730  -8.934  -5.917
  201   1HB   SER  35          2HB       SER  35 -14.022  -6.819  -5.165
  202   2HB   SER  35          3HB       SER  35 -12.558  -7.804  -5.249
  203    HG   SER  35           HG       SER  35 -12.185  -6.745  -7.332
  204    H    LYS  36           H        LYS  36 -13.894  -7.812  -9.180
  205    HA   LYS  36           HA       LYS  36 -15.976  -5.912  -9.565
  206   1HB   LYS  36          2HB       LYS  36 -14.713  -7.874 -11.522
  207   2HB   LYS  36          3HB       LYS  36 -15.682  -6.469 -11.972
  208   1HG   LYS  36          2HG       LYS  36 -14.044  -4.925 -11.120
  209   2HG   LYS  36          3HG       LYS  36 -13.112  -6.213 -10.344
  210   1HD   LYS  36          2HD       LYS  36 -12.614  -7.240 -12.523
  211   2HD   LYS  36          3HD       LYS  36 -13.539  -5.971 -13.353
  212   1HE   LYS  36          2HE       LYS  36 -12.003  -4.252 -12.524
  213   2HE   LYS  36          3HE       LYS  36 -11.125  -5.453 -11.550
  214   1HZ   LYS  36          2HZ       LYS  36 -11.305  -5.433 -14.482
  215   2HZ   LYS  36          1HZ       LYS  36 -10.000  -4.961 -13.592
  216   3HZ   LYS  36          3HZ       LYS  36 -10.485  -6.537 -13.571
  217    H    HIS  37           H        HIS  37 -15.926  -9.457  -9.636
  218    HA   HIS  37           HA       HIS  37 -18.702  -9.667 -10.638
  219   1HB   HIS  37          2HB       HIS  37 -16.758 -11.816  -9.740
  220   2HB   HIS  37          3HB       HIS  37 -18.303 -12.051 -10.540
  221    HD1  HIS  37           HD1      HIS  37 -17.985 -12.709 -12.948
  222    HD2  HIS  37           HD2      HIS  37 -14.771 -10.598 -11.286
  223    HE1  HIS  37           HE1      HIS  37 -16.033 -12.993 -14.546
  224    H    THR  38           H        THR  38 -16.748 -10.623  -7.762
  225    HA   THR  38           HA       THR  38 -19.114 -11.628  -6.395
  226    HB   THR  38           HB       THR  38 -17.583 -12.476  -4.802
  227    HG1  THR  38          1HG       THR  38 -15.411 -11.913  -4.828
  228   1HG2  THR  38          1HG2      THR  38 -17.614 -13.610  -7.054
  229   2HG2  THR  38          2HG2      THR  38 -16.142 -12.703  -7.483
  230   3HG2  THR  38          3HG2      THR  38 -16.113 -13.845  -6.138
  231    H    GLY  39           H        GLY  39 -17.265  -8.620  -6.230
  232   1HA   GLY  39          2HA       GLY  39 -17.610  -6.759  -4.938
  233   2HA   GLY  39          3HA       GLY  39 -19.047  -7.510  -4.230
  234    H    GLU  40           H        GLU  40 -16.265  -9.571  -3.984
  235    HA   GLU  40           HA       GLU  40 -16.209  -9.225  -1.089
  236   1HB   GLU  40          2HB       GLU  40 -14.501 -10.856  -3.003
  237   2HB   GLU  40          3HB       GLU  40 -14.406 -10.968  -1.243
  238   1HG   GLU  40          2HG       GLU  40 -16.647 -11.810  -1.046
  239   2HG   GLU  40          3HG       GLU  40 -17.007 -11.491  -2.744
  240    H    LYS  41           H        LYS  41 -14.558  -8.322   0.147
  241    HA   LYS  41           HA       LYS  41 -12.263  -7.032  -1.251
  242   1HB   LYS  41          2HB       LYS  41 -13.766  -5.669   1.000
  243   2HB   LYS  41          3HB       LYS  41 -12.532  -5.020  -0.089
  244   1HG   LYS  41          2HG       LYS  41 -14.278  -5.546  -1.994
  245   2HG   LYS  41          3HG       LYS  41 -15.421  -5.760  -0.653
  246   1HD   LYS  41          2HD       LYS  41 -15.797  -3.554  -1.121
  247   2HD   LYS  41          3HD       LYS  41 -14.522  -3.406   0.105
  248   1HE   LYS  41          2HE       LYS  41 -12.841  -3.293  -1.800
  249   2HE   LYS  41          3HE       LYS  41 -14.200  -3.277  -2.939
  250   1HZ   LYS  41          1HZ       LYS  41 -14.956  -1.264  -1.810
  251   2HZ   LYS  41          3HZ       LYS  41 -13.623  -1.327  -0.828
  252   3HZ   LYS  41          2HZ       LYS  41 -13.440  -1.073  -2.437
  253    HA   PRO  42           HA       PRO  42 -11.150 -10.277   1.861
  254   1HB   PRO  42          2HB       PRO  42  -8.619  -9.846   0.270
  255   2HB   PRO  42          3HB       PRO  42  -9.236 -11.370   0.972
  256   1HG   PRO  42          2HG       PRO  42  -9.627 -10.762  -1.636
  257   2HG   PRO  42          3HG       PRO  42 -10.977 -11.470  -0.686
  258   1HD   PRO  42          2HD       PRO  42 -10.525  -8.638  -1.546
  259   2HD   PRO  42          3HD       PRO  42 -12.037  -9.556  -1.398
  260    H    PHE  43           H        PHE  43  -9.448  -7.152   1.383
  261    HA   PHE  43           HA       PHE  43  -7.978  -7.596   3.960
  262   1HB   PHE  43          2HB       PHE  43  -7.329  -5.917   1.541
  263   2HB   PHE  43          3HB       PHE  43  -6.502  -5.820   3.080
  264    HD1  PHE  43           HD2      PHE  43  -5.086  -7.639   3.912
  265    HD2  PHE  43           HD1      PHE  43  -7.098  -8.028   0.104
  266    HE1  PHE  43           HE2      PHE  43  -3.729  -9.639   3.380
  267    HE2  PHE  43           HE1      PHE  43  -5.713  -9.983  -0.424
  268    HZ   PHE  43           HZ       PHE  43  -4.022 -10.804   1.207
  269    HA   PRO  44           HA       PRO  44 -11.019  -4.270   4.922
  270   1HB   PRO  44          2HB       PRO  44 -11.844  -5.066   7.368
  271   2HB   PRO  44          3HB       PRO  44 -12.472  -5.817   5.872
  272   1HG   PRO  44          2HG       PRO  44 -10.223  -6.850   7.637
  273   2HG   PRO  44          3HG       PRO  44 -11.641  -7.759   7.033
  274   1HD   PRO  44          2HD       PRO  44  -9.229  -7.851   5.780
  275   2HD   PRO  44          3HD       PRO  44 -10.763  -7.859   4.857
  276    H    CYS  45           H        CYS  45 -10.519  -2.409   6.072
  277    HA   CYS  45           HA       CYS  45  -7.926  -2.300   7.538
  278   1HB   CYS  45          2HB       CYS  45  -8.448  -0.612   5.796
  279   2HB   CYS  45          3HB       CYS  45  -9.917  -0.200   6.677
  280    H    LYS  46           H        LYS  46  -8.703  -3.587   9.404
  281    HA   LYS  46           HA       LYS  46 -11.069  -2.701  10.864
  282   1HB   LYS  46          2HB       LYS  46  -8.871  -4.687  11.466
  283   2HB   LYS  46          3HB       LYS  46 -10.181  -4.357  12.601
  284   1HG   LYS  46          2HG       LYS  46 -10.649  -5.307   9.743
  285   2HG   LYS  46          3HG       LYS  46 -10.545  -6.358  11.166
  286   1HD   LYS  46          2HD       LYS  46 -12.409  -4.944  12.223
  287   2HD   LYS  46          3HD       LYS  46 -12.668  -4.226  10.628
  288   1HE   LYS  46          2HE       LYS  46 -12.856  -7.196  11.304
  289   2HE   LYS  46          3HE       LYS  46 -14.217  -6.083  11.086
  290   1HZ   LYS  46          3HZ       LYS  46 -13.525  -5.741   8.839
  291   2HZ   LYS  46          1HZ       LYS  46 -12.252  -6.773   9.024
  292   3HZ   LYS  46          2HZ       LYS  46 -13.795  -7.343   9.122
  293    H    GLU  47           H        GLU  47  -9.957  -0.435  10.618
  294    HA   GLU  47           HA       GLU  47  -8.408   0.297  13.043
  295   1HB   GLU  47          2HB       GLU  47  -9.081   1.614  10.391
  296   2HB   GLU  47          3HB       GLU  47  -8.532   2.599  11.748
  297   1HG   GLU  47          2HG       GLU  47  -6.986   0.155  10.810
  298   2HG   GLU  47          3HG       GLU  47  -6.707   1.772  10.156
  299    H    GLU  48           H        GLU  48  -9.128   2.402  13.978
  300    HA   GLU  48           HA       GLU  48 -11.820   2.113  15.018
  301   1HB   GLU  48          2HB       GLU  48  -9.821   4.407  15.260
  302   2HB   GLU  48          3HB       GLU  48 -11.314   4.229  16.194
  303   1HG   GLU  48          2HG       GLU  48 -10.471   2.077  17.131
  304   2HG   GLU  48          3HG       GLU  48  -8.950   2.289  16.250
  305    H    GLY  49           H        GLY  49 -13.581   2.615  13.767
  306   1HA   GLY  49          2HA       GLY  49 -15.050   3.932  12.591
  307   2HA   GLY  49          3HA       GLY  49 -13.883   5.256  12.604
  308    H    CYS  50           H        CYS  50 -11.728   4.140  11.253
  309    HA   CYS  50           HA       CYS  50 -12.577   4.373   8.492
  310   1HB   CYS  50          2HB       CYS  50 -10.524   5.349   9.423
  311   2HB   CYS  50          3HB       CYS  50  -9.901   3.741   9.785
  312    H    GLU  51           H        GLU  51 -14.043   2.274   9.133
  313    HA   GLU  51           HA       GLU  51 -12.676  -0.260   8.728
  314   1HB   GLU  51          2HB       GLU  51 -14.666   0.092  10.211
  315   2HB   GLU  51          3HB       GLU  51 -15.656   0.242   8.744
  316   1HG   GLU  51          2HG       GLU  51 -14.983  -2.028   8.050
  317   2HG   GLU  51          3HG       GLU  51 -13.829  -2.119   9.391
  318    H    LYS  52           H        LYS  52 -11.679   0.737   6.752
  319    HA   LYS  52           HA       LYS  52 -13.253   0.846   4.294
  320   1HB   LYS  52          2HB       LYS  52 -10.279   0.409   4.624
  321   2HB   LYS  52          3HB       LYS  52 -11.060   0.976   3.166
  322   1HG   LYS  52          2HG       LYS  52 -11.060   2.533   5.784
  323   2HG   LYS  52          3HG       LYS  52  -9.811   2.706   4.553
  324   1HD   LYS  52          2HD       LYS  52 -11.462   3.443   2.901
  325   2HD   LYS  52          3HD       LYS  52 -12.795   3.166   4.046
  326   1HE   LYS  52          2HE       LYS  52 -11.954   4.897   5.547
  327   2HE   LYS  52          3HE       LYS  52 -10.500   5.115   4.548
  328   1HZ   LYS  52          1HZ       LYS  52 -13.244   5.648   3.661
  329   2HZ   LYS  52          2HZ       LYS  52 -12.141   6.782   4.127
  330   3HZ   LYS  52          3HZ       LYS  52 -11.866   5.877   2.780
  331    H    GLY  53           H        GLY  53 -12.839  -0.647   2.462
  332   1HA   GLY  53          2HA       GLY  53 -12.251  -3.494   3.216
  333   2HA   GLY  53          3HA       GLY  53 -13.578  -3.016   2.157
  334    H    PHE  54           H        PHE  54 -10.139  -3.623   2.332
  335    HA   PHE  54           HA       PHE  54  -9.703  -2.443  -0.367
  336   1HB   PHE  54          2HB       PHE  54  -7.772  -3.365   1.762
  337   2HB   PHE  54          3HB       PHE  54  -7.329  -2.981   0.125
  338    HD1  PHE  54           HD1      PHE  54  -7.735  -0.674  -0.801
  339    HD2  PHE  54           HD2      PHE  54  -8.489  -1.555   3.332
  340    HE1  PHE  54           HE1      PHE  54  -7.600   1.736  -0.276
  341    HE2  PHE  54           HE2      PHE  54  -8.250   0.862   3.877
  342    HZ   PHE  54           HZ       PHE  54  -7.964   2.518   2.052
  343    H    THR  55           H        THR  55  -9.236  -3.792  -2.157
  344    HA   THR  55           HA       THR  55  -9.892  -6.609  -1.785
  345    HB   THR  55           HB       THR  55  -9.631  -6.695  -4.212
  346    HG1  THR  55          1HG       THR  55  -9.569  -4.640  -5.297
  347   1HG2  THR  55          3HG2      THR  55 -11.495  -4.571  -3.087
  348   2HG2  THR  55          1HG2      THR  55 -11.640  -5.259  -4.708
  349   3HG2  THR  55          2HG2      THR  55 -11.823  -6.308  -3.294
  350    H    SER  56           H        SER  56  -6.925  -4.846  -1.566
  351    HA   SER  56           HA       SER  56  -5.527  -7.436  -1.589
  352   1HB   SER  56          2HB       SER  56  -3.837  -6.824  -3.090
  353   2HB   SER  56          3HB       SER  56  -5.381  -6.516  -3.923
  354    HG   SER  56           HG       SER  56  -5.118  -4.315  -3.304
  355    H    LEU  57           H        LEU  57  -3.536  -7.430  -0.566
  356    HA   LEU  57           HA       LEU  57  -3.290  -5.817   1.723
  357   1HB   LEU  57          2HB       LEU  57  -2.338  -8.098   1.456
  358   2HB   LEU  57          3HB       LEU  57  -1.206  -7.493   0.247
  359    HG   LEU  57           HG       LEU  57  -0.089  -6.116   1.948
  360   1HD1  LEU  57          1HD1      LEU  57  -2.157  -7.277   3.874
  361   2HD1  LEU  57          2HD1      LEU  57  -0.672  -6.439   4.370
  362   3HD1  LEU  57          3HD1      LEU  57  -1.912  -5.558   3.483
  363   1HD2  LEU  57          2HD2      LEU  57   0.622  -8.449   1.587
  364   2HD2  LEU  57          3HD2      LEU  57   0.858  -7.950   3.277
  365   3HD2  LEU  57          1HD2      LEU  57  -0.508  -8.998   2.844
  366    H    HIS  58           H        HIS  58  -1.854  -5.524  -1.573
  367    HA   HIS  58           HA       HIS  58   0.052  -3.573  -0.816
  368   1HB   HIS  58          2HB       HIS  58   0.581  -3.258  -2.960
  369   2HB   HIS  58          3HB       HIS  58  -0.071  -4.892  -3.040
  370    HD1  HIS  58           HD1      HIS  58  -1.975  -5.128  -4.886
  371    HD2  HIS  58           HD2      HIS  58  -1.037  -1.181  -3.792
  372    HE1  HIS  58           HE1      HIS  58  -3.244  -3.603  -6.487
  373    H    HIS  59           H        HIS  59  -3.359  -3.190  -1.971
  374    HA   HIS  59           HA       HIS  59  -3.361  -0.352  -2.006
  375   1HB   HIS  59          2HB       HIS  59  -5.681  -1.926  -0.909
  376   2HB   HIS  59          3HB       HIS  59  -5.676  -0.337  -1.685
  377    HD1  HIS  59           HD1      HIS  59  -4.040  -1.832  -4.366
  378    HD2  HIS  59           HD2      HIS  59  -7.717  -2.542  -2.422
  379    HE1  HIS  59           HE1      HIS  59  -5.523  -3.135  -6.011
  380    HE2  HIS  59           HE2      HIS  59  -7.749  -3.566  -4.810
  381    H    LEU  60           H        LEU  60  -4.082  -2.701   0.597
  382    HA   LEU  60           HA       LEU  60  -4.686  -0.897   2.642
  383   1HB   LEU  60          2HB       LEU  60  -4.881  -3.499   2.530
  384   2HB   LEU  60          3HB       LEU  60  -3.207  -3.508   3.087
  385    HG   LEU  60           HG       LEU  60  -3.993  -2.084   5.077
  386   1HD1  LEU  60          1HD1      LEU  60  -6.701  -2.964   3.950
  387   2HD1  LEU  60          2HD1      LEU  60  -6.453  -2.377   5.607
  388   3HD1  LEU  60          3HD1      LEU  60  -6.153  -1.298   4.244
  389   1HD2  LEU  60          3HD2      LEU  60  -5.125  -4.893   4.736
  390   2HD2  LEU  60          2HD2      LEU  60  -3.476  -4.488   5.258
  391   3HD2  LEU  60          1HD2      LEU  60  -4.859  -4.060   6.279
  392    H    THR  61           H        THR  61  -1.543  -2.181   1.575
  393    HA   THR  61           HA       THR  61   0.042  -1.025   3.626
  394    HB   THR  61           HB       THR  61   0.923  -1.658   0.792
  395    HG1  THR  61          1HG       THR  61  -0.107  -3.428   1.917
  396   1HG2  THR  61          1HG2      THR  61   2.417  -1.472   3.446
  397   2HG2  THR  61          2HG2      THR  61   3.110  -2.075   1.934
  398   3HG2  THR  61          3HG2      THR  61   2.609  -0.379   2.059
  399    H    ARG  62           H        ARG  62  -0.649   0.235   0.255
  400    HA   ARG  62           HA       ARG  62   0.721   2.698   0.868
  401   1HB   ARG  62          2HB       ARG  62  -0.375   3.699  -1.073
  402   2HB   ARG  62          3HB       ARG  62   0.549   2.224  -1.377
  403   1HG   ARG  62          2HG       ARG  62  -1.493   0.926  -1.566
  404   2HG   ARG  62          3HG       ARG  62  -2.500   2.345  -1.213
  405   1HD   ARG  62          2HD       ARG  62  -1.920   3.379  -3.303
  406   2HD   ARG  62          3HD       ARG  62  -0.470   2.400  -3.468
  407    HE   ARG  62           HE       ARG  62  -1.610   0.696  -4.419
  408   1HH1  ARG  62          2HH1      ARG  62  -4.060   2.948  -3.114
  409   2HH1  ARG  62          1HH1      ARG  62  -5.302   2.253  -4.159
  410   1HH2  ARG  62          2HH2      ARG  62  -3.301  -0.167  -5.624
  411   2HH2  ARG  62          1HH2      ARG  62  -4.926   0.456  -5.393
  412    H    HIS  63           H        HIS  63  -2.670   1.707   1.326
  413    HA   HIS  63           HA       HIS  63  -3.683   4.249   2.072
  414   1HB   HIS  63          2HB       HIS  63  -5.184   2.420   1.628
  415   2HB   HIS  63          3HB       HIS  63  -4.478   1.445   2.921
  416    HD1  HIS  63           HD1      HIS  63  -6.044   5.022   2.890
  417    HD2  HIS  63           HD2      HIS  63  -5.933   1.417   5.066
  418    HE1  HIS  63           HE1      HIS  63  -7.390   5.404   5.019
  419    H    SER  64           H        SER  64  -2.084   1.692   4.077
  420    HA   SER  64           HA       SER  64  -2.459   2.954   6.543
  421   1HB   SER  64          2HB       SER  64  -0.787   1.565   7.452
  422   2HB   SER  64          3HB       SER  64  -1.623   0.625   6.206
  423    HG   SER  64           HG       SER  64   0.184   1.282   4.799
  424    H    LEU  65           H        LEU  65  -0.337   4.006   3.964
  425    HA   LEU  65           HA       LEU  65   1.539   5.504   5.483
  426   1HB   LEU  65          2HB       LEU  65   0.346   6.222   2.798
  427   2HB   LEU  65          3HB       LEU  65   1.831   6.861   3.494
  428    HG   LEU  65           HG       LEU  65   1.425   3.935   2.764
  429   1HD1  LEU  65          1HD1      LEU  65   1.428   5.460   0.800
  430   2HD1  LEU  65          2HD1      LEU  65   2.939   6.174   1.397
  431   3HD1  LEU  65          3HD1      LEU  65   2.906   4.477   0.855
  432   1HD2  LEU  65          3HD2      LEU  65   3.934   5.459   3.570
  433   2HD2  LEU  65          1HD2      LEU  65   3.121   4.205   4.544
  434   3HD2  LEU  65          2HD2      LEU  65   3.875   3.781   3.004
  435    H    THR  66           H        THR  66  -1.871   6.119   4.631
  436    HA   THR  66           HA       THR  66  -1.818   8.897   5.413
  437    HB   THR  66           HB       THR  66  -4.196   8.854   5.237
  438    HG1  THR  66          1HG       THR  66  -4.006   6.034   4.995
  439   1HG2  THR  66          2HG2      THR  66  -2.839   8.829   3.124
  440   2HG2  THR  66          3HG2      THR  66  -3.068   7.071   3.024
  441   3HG2  THR  66          1HG2      THR  66  -4.468   8.155   2.933
  442    H    HIS  67           H        HIS  67  -2.342   5.862   7.167
  443    HA   HIS  67           HA       HIS  67  -3.347   7.174   9.592
  444   1HB   HIS  67          2HB       HIS  67  -2.406   4.353   8.921
  445   2HB   HIS  67          3HB       HIS  67  -2.737   4.863  10.572
  446    HD1  HIS  67           HD1      HIS  67  -5.279   5.429  11.229
  447    HD2  HIS  67           HD2      HIS  67  -4.572   3.755   7.430
  448    HE1  HIS  67           HE1      HIS  67  -7.523   4.570  10.380
  449    H    THR  68           H        THR  68  -0.299   5.615   8.551
  450    HA   THR  68           HA       THR  68   1.147   6.285  10.955
  451    HB   THR  68           HB       THR  68   3.130   5.614   9.581
  452    HG1  THR  68          1HG       THR  68   1.218   5.025   7.568
  453   1HG2  THR  68          1HG2      THR  68   1.829   3.897  10.794
  454   2HG2  THR  68          2HG2      THR  68   0.749   3.705   9.396
  455   3HG2  THR  68          3HG2      THR  68   2.462   3.269   9.257
  456    H    GLY  69           H        GLY  69   0.569   7.980   7.906
  457   1HA   GLY  69          2HA       GLY  69   0.864  10.201   7.418
  458   2HA   GLY  69          3HA       GLY  69   1.740  10.461   8.937
  459    H    GLU  70           H        GLU  70   2.621   7.773   6.843
  460    HA   GLU  70           HA       GLU  70   5.312   8.856   6.531
  461   1HB   GLU  70          2HB       GLU  70   3.966   6.258   5.784
  462   2HB   GLU  70          3HB       GLU  70   5.655   6.567   5.371
  463   1HG   GLU  70          2HG       GLU  70   4.688   6.869   8.240
  464   2HG   GLU  70          3HG       GLU  70   5.102   5.291   7.564
  465    H    LYS  71           H        LYS  71   3.896  10.633   5.355
  466    HA   LYS  71           HA       LYS  71   3.557  10.318   2.462
  467   1HB   LYS  71          2HB       LYS  71   2.123  11.638   3.998
  468   2HB   LYS  71          3HB       LYS  71   3.499  12.673   4.385
  469   1HG   LYS  71          2HG       LYS  71   3.513  13.525   2.057
  470   2HG   LYS  71          3HG       LYS  71   2.159  12.442   1.657
  471   1HD   LYS  71          2HD       LYS  71   0.797  13.494   3.471
  472   2HD   LYS  71          3HD       LYS  71   2.133  14.593   3.845
  473   1HE   LYS  71          2HE       LYS  71   0.665  14.446   1.181
  474   2HE   LYS  71          3HE       LYS  71   0.331  15.621   2.461
  475   1HZ   LYS  71          3HZ       LYS  71   2.590  16.409   2.248
  476   2HZ   LYS  71          1HZ       LYS  71   2.861  15.380   0.983
  477   3HZ   LYS  71          2HZ       LYS  71   1.741  16.563   0.842
  478    H    ASN  72           H        ASN  72   5.959   9.451   2.644
  479    HA   ASN  72           HA       ASN  72   7.965  11.655   2.727
  480   1HB   ASN  72          2HB       ASN  72   8.319   8.642   2.759
  481   2HB   ASN  72          3HB       ASN  72   9.612   9.826   2.944
  482   1HD2  ASN  72          1HD2      ASN  72   7.548   8.697   6.211
  483   2HD2  ASN  72          2HD2      ASN  72   7.313   7.959   4.633
  484    H    PHE  73           H        PHE  73   6.317  10.241   0.148
  485    HA   PHE  73           HA       PHE  73   8.695   9.773  -1.474
  486   1HB   PHE  73          2HB       PHE  73   5.777   9.942  -2.259
  487   2HB   PHE  73          3HB       PHE  73   7.111   9.495  -3.321
  488    HD1  PHE  73           HD1      PHE  73   8.749   7.623  -2.431
  489    HD2  PHE  73           HD2      PHE  73   4.804   8.261  -0.834
  490    HE1  PHE  73           HE1      PHE  73   8.861   5.438  -1.299
  491    HE2  PHE  73           HE2      PHE  73   4.884   6.037   0.243
  492    HZ   PHE  73           HZ       PHE  73   6.922   4.629   0.052
  493    H    THR  74           H        THR  74   9.806  11.543  -1.154
  494    HA   THR  74           HA       THR  74   9.000  14.218  -1.827
  495    HB   THR  74           HB       THR  74  11.733  13.042  -1.258
  496    HG1  THR  74          1HG       THR  74  10.170  12.623   0.401
  497   1HG2  THR  74          2HG2      THR  74  10.646  15.884  -1.019
  498   2HG2  THR  74          3HG2      THR  74  12.237  15.336  -0.449
  499   3HG2  THR  74          1HG2      THR  74  11.872  15.317  -2.182
  500    H    CYS  75           H        CYS  75   8.959  15.088  -3.826
  501    HA   CYS  75           HA       CYS  75   9.951  13.829  -6.204
  502   1HB   CYS  75          2HB       CYS  75   8.219  15.406  -6.447
  503   2HB   CYS  75          3HB       CYS  75   9.056  16.632  -5.480
  504    H    ASP  76           H        ASP  76  12.079  13.508  -6.626
  505    HA   ASP  76           HA       ASP  76  14.159  14.963  -5.234
  506   1HB   ASP  76          2HB       ASP  76  14.420  12.622  -5.790
  507   2HB   ASP  76          3HB       ASP  76  14.256  12.968  -7.526
  508    H    SER  77           H        SER  77  13.332  17.089  -5.892
  509    HA   SER  77           HA       SER  77  14.775  18.117  -8.260
  510   1HB   SER  77          2HB       SER  77  12.429  17.530  -8.987
  511   2HB   SER  77          3HB       SER  77  11.819  18.668  -7.765
  512    HG   SER  77           HG       SER  77  12.039  19.566  -9.888
  513    H    ASP  78           H        ASP  78  16.061  19.593  -7.257
  514    HA   ASP  78           HA       ASP  78  15.851  20.539  -4.678
  515   1HB   ASP  78          2HB       ASP  78  17.069  21.968  -7.082
  516   2HB   ASP  78          3HB       ASP  78  17.398  22.352  -5.387
  517    H    GLY  79           H        GLY  79  14.660  22.071  -3.616
  518   1HA   GLY  79          2HA       GLY  79  13.386  23.992  -3.292
  519   2HA   GLY  79          3HA       GLY  79  13.399  24.341  -5.030
  520    H    CYS  80           H        CYS  80  12.410  22.190  -6.229
  521    HA   CYS  80           HA       CYS  80   9.575  22.076  -5.472
  522   1HB   CYS  80          2HB       CYS  80  10.251  22.363  -7.765
  523   2HB   CYS  80          3HB       CYS  80  11.254  20.923  -7.726
  524    H    ASP  81           H        ASP  81  11.081  21.053  -3.383
  525    HA   ASP  81           HA       ASP  81  11.212  18.117  -3.584
  526   1HB   ASP  81          2HB       ASP  81  11.756  20.012  -1.286
  527   2HB   ASP  81          3HB       ASP  81  12.026  18.265  -1.267
  528    H    LEU  82           H        LEU  82   8.727  18.693  -4.230
  529    HA   LEU  82           HA       LEU  82   6.911  18.940  -1.982
  530   1HB   LEU  82          2HB       LEU  82   6.577  18.061  -4.864
  531   2HB   LEU  82          3HB       LEU  82   5.219  18.079  -3.723
  532    HG   LEU  82           HG       LEU  82   6.896  20.514  -4.471
  533   1HD1  LEU  82          3HD1      LEU  82   5.630  19.613  -6.398
  534   2HD1  LEU  82          1HD1      LEU  82   4.138  19.624  -5.431
  535   3HD1  LEU  82          2HD1      LEU  82   4.943  21.150  -5.852
  536   1HD2  LEU  82          2HD2      LEU  82   4.253  20.221  -2.951
  537   2HD2  LEU  82          3HD2      LEU  82   5.791  20.813  -2.278
  538   3HD2  LEU  82          1HD2      LEU  82   4.943  21.761  -3.500
  539    H    ARG  83           H        ARG  83   6.065  17.412  -0.692
  540    HA   ARG  83           HA       ARG  83   7.083  14.628  -0.883
  541   1HB   ARG  83          2HB       ARG  83   5.807  16.249   1.346
  542   2HB   ARG  83          3HB       ARG  83   6.313  14.562   1.487
  543   1HG   ARG  83          2HG       ARG  83   8.624  15.110   0.992
  544   2HG   ARG  83          3HG       ARG  83   8.225  16.808   0.715
  545   1HD   ARG  83          2HD       ARG  83   9.178  16.511   2.962
  546   2HD   ARG  83          3HD       ARG  83   7.511  17.097   3.005
  547    HE   ARG  83           HE       ARG  83   6.837  15.236   4.103
  548   1HH1  ARG  83          2HH1      ARG  83   9.889  14.367   2.517
  549   2HH1  ARG  83          1HH1      ARG  83  10.171  12.994   3.552
  550   1HH2  ARG  83          2HH2      ARG  83   7.143  13.404   5.346
  551   2HH2  ARG  83          1HH2      ARG  83   8.525  12.366   5.130
  552    H    PHE  84           H        PHE  84   5.766  13.066  -1.622
  553    HA   PHE  84           HA       PHE  84   2.835  13.617  -1.750
  554   1HB   PHE  84          2HB       PHE  84   4.576  11.878  -3.519
  555   2HB   PHE  84          3HB       PHE  84   2.836  12.051  -3.668
  556    HD1  PHE  84           HD2      PHE  84   6.088  13.846  -4.049
  557    HD2  PHE  84           HD1      PHE  84   1.834  13.985  -4.792
  558    HE1  PHE  84           HE2      PHE  84   6.373  15.906  -5.330
  559    HE2  PHE  84           HE1      PHE  84   2.172  16.007  -6.168
  560    HZ   PHE  84           HZ       PHE  84   4.390  17.104  -6.241
  561    H    THR  85           H        THR  85   1.386  11.809  -1.585
  562    HA   THR  85           HA       THR  85   1.892  10.129   0.689
  563    HB   THR  85           HB       THR  85  -0.386   9.211  -0.145
  564    HG1  THR  85          1HG       THR  85  -1.356  10.696  -1.653
  565   1HG2  THR  85          1HG2      THR  85  -0.106  10.953   1.638
  566   2HG2  THR  85          2HG2      THR  85  -0.194  12.209   0.381
  567   3HG2  THR  85          3HG2      THR  85  -1.580  11.134   0.685
  568    H    THR  86           H        THR  86   1.754   9.482  -2.855
  569    HA   THR  86           HA       THR  86   2.891   6.775  -2.248
  570    HB   THR  86           HB       THR  86   1.605   5.864  -4.066
  571    HG1  THR  86          1HG       THR  86  -0.039   8.040  -4.397
  572   1HG2  THR  86          2HG2      THR  86   0.543   5.928  -1.802
  573   2HG2  THR  86          3HG2      THR  86  -0.307   7.417  -2.263
  574   3HG2  THR  86          1HG2      THR  86  -0.626   5.905  -3.136
  575    H    LYS  87           H        LYS  87   4.226   5.880  -3.831
  576    HA   LYS  87           HA       LYS  87   6.044   7.653  -5.093
  577   1HB   LYS  87          2HB       LYS  87   5.408   4.711  -5.613
  578   2HB   LYS  87          3HB       LYS  87   6.751   5.596  -6.360
  579   1HG   LYS  87          2HG       LYS  87   7.758   6.099  -4.272
  580   2HG   LYS  87          3HG       LYS  87   6.423   5.403  -3.336
  581   1HD   LYS  87          2HD       LYS  87   7.832   3.652  -5.336
  582   2HD   LYS  87          3HD       LYS  87   8.723   4.089  -3.881
  583   1HE   LYS  87          2HE       LYS  87   7.535   1.941  -3.612
  584   2HE   LYS  87          3HE       LYS  87   7.051   3.150  -2.418
  585   1HZ   LYS  87          1HZ       LYS  87   5.542   2.477  -4.845
  586   2HZ   LYS  87          2HZ       LYS  87   5.182   1.975  -3.314
  587   3HZ   LYS  87          3HZ       LYS  87   5.099   3.574  -3.699
  588    H    ALA  88           H        ALA  88   3.116   5.928  -6.276
  589    HA   ALA  88           HA       ALA  88   3.485   6.717  -8.991
  590   1HB   ALA  88          2HB       ALA  88   2.121   4.877  -8.317
  591   2HB   ALA  88          3HB       ALA  88   0.905   5.972  -7.591
  592   3HB   ALA  88          1HB       ALA  88   1.223   6.013  -9.351
  593    H    ASN  89           H        ASN  89   1.720   8.341  -6.249
  594    HA   ASN  89           HA       ASN  89   0.768  10.519  -7.866
  595   1HB   ASN  89          2HB       ASN  89   1.462  10.362  -4.902
  596   2HB   ASN  89          3HB       ASN  89   0.799  11.808  -5.676
  597   1HD2  ASN  89          1HD2      ASN  89  -2.053   9.793  -4.234
  598   2HD2  ASN  89          2HD2      ASN  89  -0.556  10.391  -3.516
  599    H    MET  90           H        MET  90   3.830  10.046  -6.058
  600    HA   MET  90           HA       MET  90   5.049  12.522  -6.695
  601   1HB   MET  90          2HB       MET  90   5.945  10.913  -5.047
  602   2HB   MET  90          3HB       MET  90   6.288   9.773  -6.337
  603   1HG   MET  90          2HG       MET  90   7.882  11.461  -7.334
  604   2HG   MET  90          3HG       MET  90   7.600  12.458  -5.903
  605   1HE   MET  90          2HE       MET  90   8.996   9.057  -7.325
  606   2HE   MET  90          3HE       MET  90   9.771   8.350  -5.885
  607   3HE   MET  90          1HE       MET  90   8.014   8.401  -5.994
  608    H    LYS  91           H        LYS  91   5.090   9.416  -8.521
  609    HA   LYS  91           HA       LYS  91   6.683  10.349 -10.694
  610   1HB   LYS  91          2HB       LYS  91   4.602   8.144 -10.545
  611   2HB   LYS  91          3HB       LYS  91   5.617   8.434 -11.954
  612   1HG   LYS  91          2HG       LYS  91   6.693   7.711  -9.188
  613   2HG   LYS  91          3HG       LYS  91   6.426   6.600 -10.534
  614   1HD   LYS  91          2HD       LYS  91   8.043   8.101 -11.879
  615   2HD   LYS  91          3HD       LYS  91   8.431   8.880 -10.321
  616   1HE   LYS  91          2HE       LYS  91   9.043   6.652  -9.380
  617   2HE   LYS  91          3HE       LYS  91   8.688   5.902 -10.951
  618   1HZ   LYS  91          1HZ       LYS  91  10.408   7.241 -11.912
  619   2HZ   LYS  91          2HZ       LYS  91  10.745   7.936 -10.456
  620   3HZ   LYS  91          3HZ       LYS  91  11.002   6.323 -10.681
  621    H    LYS  92           H        LYS  92   3.090  10.257 -10.357
  622    HA   LYS  92           HA       LYS  92   2.501  11.367 -12.894
  623   1HB   LYS  92          2HB       LYS  92   1.037  11.706 -10.233
  624   2HB   LYS  92          3HB       LYS  92   0.448  12.299 -11.795
  625   1HG   LYS  92          2HG       LYS  92   0.867   9.762 -12.521
  626   2HG   LYS  92          3HG       LYS  92   0.629   9.467 -10.797
  627   1HD   LYS  92          2HD       LYS  92  -1.309  10.981 -12.628
  628   2HD   LYS  92          3HD       LYS  92  -1.424   9.273 -12.205
  629   1HE   LYS  92          2HE       LYS  92  -2.985  10.474 -10.874
  630   2HE   LYS  92          3HE       LYS  92  -1.712   9.857  -9.804
  631   1HZ   LYS  92          3HZ       LYS  92  -1.877  12.604 -10.835
  632   2HZ   LYS  92          1HZ       LYS  92  -2.412  12.123  -9.352
  633   3HZ   LYS  92          2HZ       LYS  92  -0.811  12.040  -9.714
  634    H    HIS  93           H        HIS  93   3.077  13.081  -9.758
  635    HA   HIS  93           HA       HIS  93   2.899  15.717 -10.802
  636   1HB   HIS  93          2HB       HIS  93   3.009  15.507  -8.457
  637   2HB   HIS  93          3HB       HIS  93   4.450  14.497  -8.502
  638    HD1  HIS  93           HD1      HIS  93   3.566  18.202  -9.283
  639    HD2  HIS  93           HD2      HIS  93   6.813  15.624  -8.581
  640    HE1  HIS  93           HE1      HIS  93   5.664  19.650  -9.262
  641    H    PHE  94           H        PHE  94   5.797  13.669 -10.357
  642    HA   PHE  94           HA       PHE  94   7.687  15.407 -11.403
  643   1HB   PHE  94          2HB       PHE  94   7.960  13.121 -10.231
  644   2HB   PHE  94          3HB       PHE  94   7.803  12.396 -11.822
  645    HD1  PHE  94           HD2      PHE  94   9.528  13.180 -13.648
  646    HD2  PHE  94           HD1      PHE  94  10.003  13.963  -9.426
  647    HE1  PHE  94           HE2      PHE  94  11.915  13.725 -14.007
  648    HE2  PHE  94           HE1      PHE  94  12.397  14.492  -9.801
  649    HZ   PHE  94           HZ       PHE  94  13.350  14.390 -12.086
  650    H    ASN  95           H        ASN  95   5.655  13.035 -13.091
  651    HA   ASN  95           HA       ASN  95   6.722  13.403 -15.672
  652   1HB   ASN  95          2HB       ASN  95   4.136  12.303 -14.579
  653   2HB   ASN  95          3HB       ASN  95   4.221  12.671 -16.300
  654   1HD2  ASN  95          1HD2      ASN  95   6.158   9.405 -14.843
  655   2HD2  ASN  95          2HD2      ASN  95   5.312  10.526 -13.776
  656    H    ARG  96           H        ARG  96   3.707  14.689 -14.261
  657    HA   ARG  96           HA       ARG  96   2.863  16.436 -16.229
  658   1HB   ARG  96          2HB       ARG  96   2.669  16.523 -13.216
  659   2HB   ARG  96          3HB       ARG  96   1.870  17.727 -14.239
  660   1HG   ARG  96          2HG       ARG  96   0.477  16.076 -15.266
  661   2HG   ARG  96          3HG       ARG  96   1.411  14.733 -14.580
  662   1HD   ARG  96          2HD       ARG  96   0.752  15.371 -12.310
  663   2HD   ARG  96          3HD       ARG  96  -0.148  16.775 -12.935
  664    HE   ARG  96           HE       ARG  96  -1.187  14.540 -14.253
  665   1HH1  ARG  96          2HH1      ARG  96  -0.928  15.679 -10.924
  666   2HH1  ARG  96          1HH1      ARG  96  -2.423  14.942 -10.382
  667   1HH2  ARG  96          1HH2      ARG  96  -3.163  13.572 -13.570
  668   2HH2  ARG  96          2HH2      ARG  96  -3.706  13.758 -11.920
  669    H    PHE  97           H        PHE  97   5.139  17.223 -13.557
  670    HA   PHE  97           HA       PHE  97   5.445  19.960 -14.596
  671   1HB   PHE  97          2HB       PHE  97   6.428  18.557 -12.104
  672   2HB   PHE  97          3HB       PHE  97   6.905  20.184 -12.560
  673    HD1  PHE  97           HD2      PHE  97   3.646  18.286 -12.257
  674    HD2  PHE  97           HD1      PHE  97   5.839  21.908 -11.436
  675    HE1  PHE  97           HE2      PHE  97   1.657  19.254 -11.214
  676    HE2  PHE  97           HE1      PHE  97   3.906  22.767 -10.155
  677    HZ   PHE  97           HZ       PHE  97   1.817  21.422  -9.991
  678    H    HIS  98           H        HIS  98   7.405  16.991 -14.723
  679    HA   HIS  98           HA       HIS  98   9.688  18.674 -15.723
  680   1HB   HIS  98          2HB       HIS  98   9.977  16.107 -14.176
  681   2HB   HIS  98          3HB       HIS  98  11.221  17.268 -14.629
  682    HD1  HIS  98           HD1      HIS  98   9.703  19.925 -13.612
  683    HD2  HIS  98           HD2      HIS  98   9.820  16.254 -11.590
  684    HE1  HIS  98           HE1      HIS  98   9.111  20.414 -11.179
  685    H    ASN  99           H        ASN  99   7.736  15.767 -16.364
  686    HA   ASN  99           HA       ASN  99   9.602  14.999 -18.551
  687   1HB   ASN  99          2HB       ASN  99   8.534  13.218 -17.237
  688   2HB   ASN  99          3HB       ASN  99   6.937  13.827 -17.736
  689   1HD2  ASN  99          1HD2      ASN  99   7.192  11.191 -20.062
  690   2HD2  ASN  99          2HD2      ASN  99   6.681  11.554 -18.417
  691    H    ILE 100           H        ILE 100   6.089  15.675 -18.294
  692    HA   ILE 100           HA       ILE 100   6.096  16.694 -21.090
  693    HB   ILE 100           HB       ILE 100   3.703  16.591 -20.980
  694   1HG1  ILE 100          2HG1      ILE 100   3.916  15.423 -18.178
  695   2HG1  ILE 100          3HG1      ILE 100   3.497  17.115 -18.492
  696   1HG2  ILE 100          2HG2      ILE 100   5.089  14.594 -21.585
  697   2HG2  ILE 100          3HG2      ILE 100   4.923  14.003 -19.921
  698   3HG2  ILE 100          1HG2      ILE 100   3.494  14.172 -20.959
  699   1HD1  ILE 100          2HD1      ILE 100   1.551  16.357 -19.859
  700   2HD1  ILE 100          3HD1      ILE 100   1.919  14.676 -19.402
  701   3HD1  ILE 100          1HD1      ILE 100   1.465  15.853 -18.162
  702    H    LYS 101           H        LYS 101   6.600  18.052 -18.083
  703    HA   LYS 101           HA       LYS 101   6.496  20.153 -17.247
  704   1HB   LYS 101          2HB       LYS 101   6.602  20.909 -20.200
  705   2HB   LYS 101          3HB       LYS 101   6.739  22.042 -18.862
  706   1HG   LYS 101          2HG       LYS 101   8.917  21.595 -19.621
  707   2HG   LYS 101          3HG       LYS 101   8.747  20.868 -18.014
  708   1HD   LYS 101          2HD       LYS 101   8.642  18.652 -18.946
  709   2HD   LYS 101          3HD       LYS 101   8.360  19.263 -20.585
  710   1HE   LYS 101          2HE       LYS 101  10.636  18.449 -20.382
  711   2HE   LYS 101          3HE       LYS 101  10.664  20.206 -20.619
  712   1HZ   LYS 101          2HZ       LYS 101  10.953  20.410 -18.223
  713   2HZ   LYS 101          3HZ       LYS 101  10.963  18.762 -18.080
  714   3HZ   LYS 101          1HZ       LYS 101  12.166  19.525 -18.909
  715   1H5*    T   1          1H5*        T   1  -4.709  22.252 -17.415
  716   2H5*    T   1          2H5*        T   1  -3.212  21.300 -17.569
  717    H4*    T   1           H4*        T   1  -3.680  22.348 -15.252
  718    H3*    T   1           H3*        T   1  -2.882  19.550 -15.809
  719   1H2*    T   1          1H2*        T   1  -4.364  18.689 -14.311
  720   2H2*    T   1          2H2*        T   1  -3.397  19.434 -13.013
  721    H1*    T   1           H1*        T   1  -4.689  21.449 -13.063
  722    H3     T   1           H3         T   1  -8.070  19.934 -10.376
  723   1H5M    T   1          1H5M        T   1  -9.831  17.286 -13.785
  724   2H5M    T   1          2H5M        T   1  -9.792  18.599 -14.978
  725   3H5M    T   1          3H5M        T   1  -8.570  17.304 -15.029
  726    H6     T   1           H6         T   1  -6.835  19.064 -14.936
  727    H5T    T   1           H5T        T   1  -5.696  20.213 -16.797
  728   1H5*    T   2          1H5*        T   2  -1.712  21.637 -11.932
  729   2H5*    T   2          2H5*        T   2  -0.050  21.280 -11.434
  730    H4*    T   2           H4*        T   2  -1.563  21.172  -9.493
  731    H3*    T   2           H3*        T   2  -0.297  18.631 -10.457
  732   1H2*    T   2          1H2*        T   2  -1.963  17.367  -9.776
  733   2H2*    T   2          2H2*        T   2  -1.793  17.953  -8.091
  734    H1*    T   2           H1*        T   2  -3.334  19.649  -8.398
  735    H3     T   2           H3         T   2  -7.339  17.478  -8.523
  736   1H5M    T   2          1H5M        T   2  -5.754  15.144 -12.402
  737   2H5M    T   2          2H5M        T   2  -6.452  16.571 -13.177
  738   3H5M    T   2          3H5M        T   2  -4.689  16.352 -13.155
  739    H6     T   2           H6         T   2  -3.587  17.613 -11.514
  740   1H5*    G   3          1H5*        G   3  -0.229  19.349  -5.805
  741   2H5*    G   3          2H5*        G   3   1.180  18.532  -5.101
  742    H4*    G   3           H4*        G   3  -0.959  18.146  -3.901
  743    H3*    G   3           H3*        G   3   0.938  16.242  -4.190
  744   1H2*    G   3          1H2*        G   3  -0.101  15.320  -6.242
  745   2H2*    G   3          2H2*        G   3  -0.728  14.204  -4.992
  746    H1*    G   3           H1*        G   3  -2.664  15.616  -4.612
  747    H8     G   3           H8         G   3  -1.289  15.018  -8.188
  748    H1     G   3           H1         G   3  -7.646  14.427  -7.463
  749   1H2     G   3           H21        G   3  -8.131  14.835  -5.221
  750   2H2     G   3           H22        G   3  -6.871  15.413  -4.158
  751   1H5*    G   4          1H5*        G   4  -2.345  16.235  -0.945
  752   2H5*    G   4          2H5*        G   4  -1.737  15.459   0.530
  753    H4*    G   4           H4*        G   4  -4.200  15.383   0.411
  754    H3*    G   4           H3*        G   4  -2.630  13.180   0.991
  755   1H2*    G   4          1H2*        G   4  -2.733  12.237  -1.195
  756   2H2*    G   4          2H2*        G   4  -4.143  11.409  -0.488
  757    H1*    G   4           H1*        G   4  -5.650  13.052  -1.342
  758    H8     G   4           H8         G   4  -2.356  13.240  -3.467
  759    H1     G   4           H1         G   4  -7.518  11.109  -6.640
  760   1H2     G   4           H21        G   4  -9.191  10.704  -5.102
  761   2H2     G   4           H22        G   4  -9.008  11.269  -3.453
  762   1H5*    A   5          1H5*        A   5  -7.198  11.953   0.868
  763   2H5*    A   5          2H5*        A   5  -7.531  10.817   2.191
  764    H4*    A   5           H4*        A   5  -8.528  10.041   0.091
  765    H3*    A   5           H3*        A   5  -6.668   8.404   1.617
  766   1H2*    A   5          1H2*        A   5  -5.183   8.276  -0.170
  767   2H2*    A   5          2H2*        A   5  -6.266   6.959  -0.703
  768    H1*    A   5           H1*        A   5  -7.641   8.538  -1.966
  769    H8     A   5           H8         A   5  -3.843   9.485  -1.786
  770   1H6     A   5           H61        A   5  -4.027   8.875  -7.951
  771   2H6     A   5           H62        A   5  -2.985   9.245  -6.593
  772    H2     A   5           H2         A   5  -8.013   7.803  -6.356
  773   1H5*    T   6          1H5*        T   6 -10.282   6.587  -1.043
  774   2H5*    T   6          2H5*        T   6 -10.808   5.112  -0.204
  775    H4*    T   6           H4*        T   6 -11.084   4.926  -2.656
  776    H3*    T   6           H3*        T   6  -9.760   3.002  -1.026
  777   1H2*    T   6          1H2*        T   6  -7.680   3.445  -1.860
  778   2H2*    T   6          2H2*        T   6  -8.143   2.234  -3.066
  779    H1*    T   6           H1*        T   6  -9.076   3.946  -4.535
  780    H3     T   6           H3         T   6  -5.399   5.228  -6.897
  781   1H5M    T   6          1H5M        T   6  -3.397   4.936  -2.199
  782   2H5M    T   6          2H5M        T   6  -3.085   6.465  -3.045
  783   3H5M    T   6          3H5M        T   6  -4.307   6.390  -1.770
  784    H6     T   6           H6         T   6  -6.426   5.122  -2.202
  785   1H5*    G   7          1H5*        G   7 -12.292   1.324  -5.108
  786   2H5*    G   7          2H5*        G   7 -12.615  -0.366  -4.669
  787    H4*    G   7           H4*        G   7 -12.305  -0.044  -7.102
  788    H3*    G   7           H3*        G   7 -11.109  -2.154  -5.681
  789   1H2*    G   7          1H2*        G   7  -9.050  -1.132  -5.466
  790   2H2*    G   7          2H2*        G   7  -8.761  -2.042  -6.956
  791    H1*    G   7           H1*        G   7  -9.297  -0.138  -8.345
  792    H8     G   7           H8         G   7  -8.206   0.861  -4.744
  793    H1     G   7           H1         G   7  -4.044   2.481  -9.335
  794   1H2     G   7           H21        G   7  -4.878   1.873 -11.375
  795   2H2     G   7           H22        G   7  -6.462   1.124 -11.480
  796   1H5*    G   8          1H5*        G   8 -10.299  -1.542 -10.227
  797   2H5*    G   8          2H5*        G   8 -10.711  -3.076 -10.999
  798    H4*    G   8           H4*        G   8  -9.057  -1.988 -12.338
  799    H3*    G   8           H3*        G   8  -8.668  -4.608 -11.403
  800   1H2*    G   8          1H2*        G   8  -7.159  -3.879  -9.698
  801   2H2*    G   8          2H2*        G   8  -5.977  -4.266 -10.958
  802    H1*    G   8           H1*        G   8  -6.020  -1.990 -11.820
  803    H8     G   8           H8         G   8  -6.935  -2.075  -8.071
  804    H1     G   8           H1         G   8  -0.972  -0.021  -9.245
  805   1H2     G   8           H21        G   8  -0.508  -0.394 -11.495
  806   2H2     G   8           H22        G   8  -1.761  -1.047 -12.547
  807   1H5*    G   9          1H5*        G   9  -5.015  -2.831 -14.073
  808   2H5*    G   9          2H5*        G   9  -4.932  -4.034 -15.370
  809    H4*    G   9           H4*        G   9  -2.726  -3.338 -15.052
  810    H3*    G   9           H3*        G   9  -3.396  -6.058 -14.636
  811   1H2*    G   9          1H2*        G   9  -3.149  -5.803 -12.263
  812   2H2*    G   9          2H2*        G   9  -1.539  -6.410 -12.719
  813    H1*    G   9           H1*        G   9  -0.735  -4.099 -12.962
  814    H8     G   9           H8         G   9  -3.495  -4.367 -10.178
  815    H1     G   9           H1         G   9   2.211  -2.292  -8.141
  816   1H2     G   9           H21        G   9   3.663  -2.209  -9.966
  817   2H2     G   9           H22        G   9   3.075  -2.616 -11.572
  818   1H5*    A  10          1H5*        A  10   1.218  -4.638 -15.143
  819   2H5*    A  10          2H5*        A  10   1.954  -5.893 -16.164
  820    H4*    A  10           H4*        A  10   3.606  -4.976 -14.632
  821    H3*    A  10           H3*        A  10   2.954  -7.817 -14.721
  822   1H2*    A  10          1H2*        A  10   2.437  -7.882 -12.458
  823   2H2*    A  10          2H2*        A  10   4.204  -7.967 -12.236
  824    H1*    A  10           H1*        A  10   4.358  -5.546 -12.051
  825    H8     A  10           H8         A  10   0.727  -6.633 -10.966
  826   1H6     A  10           H61        A  10   2.321  -4.885  -5.329
  827   2H6     A  10           H62        A  10   1.086  -5.497  -6.405
  828    H2     A  10           H2         A  10   5.897  -4.234  -7.978
  829   1H5*    G  11          1H5*        G  11   7.071  -6.011 -13.462
  830   2H5*    G  11          2H5*        G  11   8.426  -7.023 -14.005
  831    H4*    G  11           H4*        G  11   8.798  -5.906 -11.795
  832    H3*    G  11           H3*        G  11   9.422  -8.594 -12.396
  833   1H2*    G  11          1H2*        G  11   7.552  -9.442 -11.152
  834   2H2*    G  11          2H2*        G  11   8.792  -9.446  -9.862
  835    H1*    G  11           H1*        G  11   8.192  -7.181  -9.208
  836    H8     G  11           H8         G  11   5.169  -9.316 -10.542
  837    H1     G  11           H1         G  11   4.764  -7.239  -4.458
  838   1H2     G  11           H21        G  11   6.740  -6.165  -3.974
  839   2H2     G  11           H22        G  11   7.819  -5.706  -5.272
  840   1H5*    A  12          1H5*        A  12  12.018  -5.839  -9.486
  841   2H5*    A  12          2H5*        A  12  13.676  -6.461  -9.621
  842    H4*    A  12           H4*        A  12  13.296  -5.251  -7.503
  843    H3*    A  12           H3*        A  12  14.604  -7.680  -7.635
  844   1H2*    A  12          1H2*        A  12  12.705  -8.993  -7.089
  845   2H2*    A  12          2H2*        A  12  13.373  -8.798  -5.462
  846    H1*    A  12           H1*        A  12  11.953  -6.924  -4.976
  847    H8     A  12           H8         A  12  10.444  -9.053  -7.897
  848   1H6     A  12           H61        A  12   5.827 -10.372  -4.160
  849   2H6     A  12           H62        A  12   6.677 -10.649  -5.675
  850    H2     A  12           H2         A  12   8.634  -7.652  -1.891
  851   1H5*    C  13          1H5*        C  13  13.782  -6.453  -3.264
  852   2H5*    C  13          2H5*        C  13  15.131  -6.813  -2.169
  853    H4*    C  13           H4*        C  13  12.952  -7.572  -1.289
  854    H3*    C  13           H3*        C  13  15.168  -9.511  -1.764
  855   1H2*    C  13          1H2*        C  13  13.710 -11.124  -2.433
  856   2H2*    C  13          2H2*        C  13  13.055 -11.155  -0.777
  857    H1*    C  13           H1*        C  13  11.430  -9.465  -1.275
  858   1H4     C  13           H41        C  13   8.876 -13.208  -6.218
  859   2H4     C  13           H42        C  13   7.738 -13.213  -4.882
  860    H5     C  13           H5         C  13  11.085 -12.085  -6.050
  861    H6     C  13           H6         C  13  12.505 -10.777  -4.599
  862   1H5*    C  14          1H5*        C  14  12.350  -9.829   1.873
  863   2H5*    C  14          2H5*        C  14  13.137 -10.508   3.314
  864    H4*    C  14           H4*        C  14  10.910 -11.519   2.865
  865    H3*    C  14           H3*        C  14  13.368 -13.227   2.832
  866   1H2*    C  14          1H2*        C  14  12.446 -14.635   1.346
  867   2H2*    C  14          2H2*        C  14  11.104 -14.981   2.474
  868    H1*    C  14           H1*        C  14   9.737 -13.270   1.620
  869   1H4     C  14           H41        C  14  10.653 -15.331  -4.690
  870   2H4     C  14           H42        C  14   9.015 -15.753  -4.226
  871    H5     C  14           H5         C  14  12.210 -14.215  -3.133
  872    H6     C  14           H6         C  14  12.434 -13.360  -0.846
  873   1H5*    G  15          1H5*        G  15   9.567 -14.931   4.829
  874   2H5*    G  15          2H5*        G  15   9.995 -15.957   6.213
  875    H4*    G  15           H4*        G  15   8.355 -17.062   4.773
  876    H3*    G  15           H3*        G  15  11.002 -18.292   5.268
  877   1H2*    G  15          1H2*        G  15  11.307 -18.762   3.043
  878   2H2*    G  15          2H2*        G  15  10.097 -20.053   3.292
  879    H1*    G  15           H1*        G  15   8.291 -18.562   2.651
  880    H8     G  15           H8         G  15  11.676 -17.476   1.012
  881    H1     G  15           H1         G  15   7.079 -19.188  -3.134
  882   1H2     G  15           H21        G  15   5.276 -19.996  -1.932
  883   2H2     G  15           H22        G  15   5.301 -19.979  -0.180
  884    H3T    G  15           H3T        G  15   8.359 -19.326   5.002
  885   1H5*    C  16          1H5*        C  16   3.147 -24.919  -7.942
  886   2H5*    C  16          2H5*        C  16   1.514 -24.381  -8.408
  887    H4*    C  16           H4*        C  16   2.271 -23.890  -5.973
  888    H3*    C  16           H3*        C  16   0.933 -22.042  -7.843
  889   1H2*    C  16          1H2*        C  16   2.345 -20.323  -7.402
  890   2H2*    C  16          2H2*        C  16   1.599 -20.216  -5.796
  891    H1*    C  16           H1*        C  16   3.183 -21.746  -4.839
  892   1H4     C  16           H41        C  16   8.377 -18.022  -6.913
  893   2H4     C  16           H42        C  16   8.461 -18.135  -5.165
  894    H5     C  16           H5         C  16   6.561 -19.053  -8.203
  895    H6     C  16           H6         C  16   4.568 -20.396  -8.046
  896    H5T    C  16           H5T        C  16   3.840 -22.806  -8.677
  897   1H5*    G  17          1H5*        G  17   0.288 -21.734  -3.337
  898   2H5*    G  17          2H5*        G  17  -1.268 -21.056  -2.822
  899    H4*    G  17           H4*        G  17   0.726 -20.076  -1.697
  900    H3*    G  17           H3*        G  17  -1.182 -18.336  -3.218
  901   1H2*    G  17          1H2*        G  17   0.488 -16.863  -3.751
  902   2H2*    G  17          2H2*        G  17   0.760 -16.585  -2.010
  903    H1*    G  17           H1*        G  17   2.335 -18.288  -1.837
  904    H8     G  17           H8         G  17   2.484 -17.752  -5.715
  905    H1     G  17           H1         G  17   7.488 -15.601  -2.284
  906   1H2     G  17           H21        G  17   6.937 -15.762  -0.032
  907   2H2     G  17           H22        G  17   5.411 -16.483   0.433
  908   1H5*    G  18          1H5*        G  18   0.646 -17.688   1.054
  909   2H5*    G  18          2H5*        G  18  -0.536 -16.883   2.106
  910    H4*    G  18           H4*        G  18   1.721 -16.118   2.628
  911    H3*    G  18           H3*        G  18  -0.429 -14.334   1.939
  912   1H2*    G  18          1H2*        G  18   0.638 -13.579   0.009
  913   2H2*    G  18          2H2*        G  18   1.438 -12.467   1.155
  914    H1*    G  18           H1*        G  18   3.304 -14.016   1.436
  915    H8     G  18           H8         G  18   1.613 -14.575  -2.049
  916    H1     G  18           H1         G  18   7.569 -12.220  -2.354
  917   1H2     G  18           H21        G  18   8.217 -11.583  -0.222
  918   2H2     G  18           H22        G  18   7.246 -12.057   1.162
  919   1H5*    T  19          1H5*        T  19   3.464 -12.856   4.250
  920   2H5*    T  19          2H5*        T  19   2.899 -11.753   5.523
  921    H4*    T  19           H4*        T  19   5.085 -11.053   4.679
  922    H3*    T  19           H3*        T  19   2.785  -9.329   4.775
  923   1H2*    T  19          1H2*        T  19   2.724  -9.101   2.476
  924   2H2*    T  19          2H2*        T  19   3.892  -7.807   2.773
  925    H1*    T  19           H1*        T  19   5.768  -9.378   2.485
  926    H3     T  19           H3         T  19   6.228  -9.271  -2.092
  927   1H5M    T  19          1H5M        T  19   1.380 -11.451  -1.015
  928   2H5M    T  19          2H5M        T  19   1.282  -9.921  -1.909
  929   3H5M    T  19          3H5M        T  19   2.051 -11.340  -2.654
  930    H6     T  19           H6         T  19   2.660 -10.565   0.855
  931   1H5*    C  20          1H5*        C  20   6.839  -7.359   4.090
  932   2H5*    C  20          2H5*        C  20   7.021  -5.695   4.682
  933    H4*    C  20           H4*        C  20   7.684  -6.089   2.279
  934    H3*    C  20           H3*        C  20   5.493  -4.098   2.892
  935   1H2*    C  20          1H2*        C  20   4.920  -4.031   0.707
  936   2H2*    C  20          2H2*        C  20   6.624  -3.965   0.154
  937    H1*    C  20           H1*        C  20   6.896  -6.214   0.062
  938   1H4     C  20           H41        C  20   1.177  -7.658  -3.063
  939   2H4     C  20           H42        C  20   2.478  -7.657  -4.241
  940    H5     C  20           H5         C  20   1.585  -7.096  -0.667
  941    H6     C  20           H6         C  20   3.286  -6.445   0.924
  942   1H5*    T  21          1H5*        T  21   9.458  -3.351   0.669
  943   2H5*    T  21          2H5*        T  21  10.041  -1.679   0.771
  944    H4*    T  21           H4*        T  21  10.411  -2.758  -1.459
  945    H3*    T  21           H3*        T  21   9.370  -0.142  -1.040
  946   1H2*    T  21          1H2*        T  21   7.237  -0.648  -1.802
  947   2H2*    T  21          2H2*        T  21   7.939  -0.329  -3.403
  948    H1*    T  21           H1*        T  21   8.538  -2.631  -3.740
  949    H3     T  21           H3         T  21   4.561  -4.206  -5.387
  950   1H5M    T  21          1H5M        T  21   3.663  -2.291  -0.361
  951   2H5M    T  21          2H5M        T  21   2.406  -2.311  -1.603
  952   3H5M    T  21          3H5M        T  21   2.862  -3.819  -0.798
  953    H6     T  21           H6         T  21   5.846  -2.254  -1.181
  954   1H5*    C  22          1H5*        C  22  10.360  -1.099  -5.620
  955   2H5*    C  22          2H5*        C  22  10.953   0.387  -6.395
  956    H4*    C  22           H4*        C  22   9.225  -0.690  -7.771
  957    H3*    C  22           H3*        C  22   8.614   1.967  -6.532
  958   1H2*    C  22          1H2*        C  22   6.422   1.579  -6.555
  959   2H2*    C  22          2H2*        C  22   6.424   1.277  -8.315
  960    H1*    C  22           H1*        C  22   6.857  -1.038  -8.067
  961   1H4     C  22           H41        C  22   1.564  -1.426  -3.962
  962   2H4     C  22           H42        C  22   1.082  -2.019  -5.545
  963    H5     C  22           H5         C  22   3.796  -0.417  -3.592
  964    H6     C  22           H6         C  22   5.951  -0.019  -4.615
  965   1H5*    C  23          1H5*        C  23   7.551   1.495 -11.052
  966   2H5*    C  23          2H5*        C  23   7.421   3.092 -11.828
  967    H4*    C  23           H4*        C  23   5.500   1.630 -12.317
  968    H3*    C  23           H3*        C  23   4.945   4.104 -10.662
  969   1H2*    C  23          1H2*        C  23   2.802   3.444 -10.416
  970   2H2*    C  23          2H2*        C  23   2.683   2.725 -12.053
  971    H1*    C  23           H1*        C  23   3.349   0.677 -11.429
  972   1H4     C  23           H41        C  23   0.502   0.997  -5.353
  973   2H4     C  23           H42        C  23  -0.665   0.286  -6.457
  974    H5     C  23           H5         C  23   2.632   1.943  -6.182
  975    H6     C  23           H6         C  23   4.018   2.216  -8.150
  976   1H5*    C  24          1H5*        C  24   2.975   2.870 -14.467
  977   2H5*    C  24          2H5*        C  24   2.779   4.232 -15.585
  978    H4*    C  24           H4*        C  24   0.921   2.634 -15.770
  979    H3*    C  24           H3*        C  24   0.649   5.455 -15.374
  980   1H2*    C  24          1H2*        C  24  -0.420   5.323 -13.347
  981   2H2*    C  24          2H2*        C  24  -1.872   4.979 -14.328
  982    H1*    C  24           H1*        C  24  -1.651   2.632 -14.047
  983   1H4     C  24           H41        C  24  -0.708   3.010  -7.426
  984   2H4     C  24           H42        C  24  -2.367   2.536  -7.617
  985    H5     C  24           H5         C  24   0.713   3.606  -9.269
  986    H6     C  24           H6         C  24   0.847   3.903 -11.658
  987   1H5*    A  25          1H5*        A  25  -3.135   3.192 -16.458
  988   2H5*    A  25          2H5*        A  25  -4.011   3.961 -17.801
  989    H4*    A  25           H4*        A  25  -5.549   3.239 -16.011
  990    H3*    A  25           H3*        A  25  -5.394   5.960 -17.029
  991   1H2*    A  25          1H2*        A  25  -4.976   6.900 -14.976
  992   2H2*    A  25          2H2*        A  25  -6.721   6.691 -14.693
  993    H1*    A  25           H1*        A  25  -6.378   4.583 -13.583
  994    H8     A  25           H8         A  25  -3.070   6.677 -13.514
  995   1H6     A  25           H61        A  25  -3.285   6.081  -7.381
  996   2H6     A  25           H62        A  25  -2.379   6.646  -8.780
  997    H2     A  25           H2         A  25  -7.095   4.414  -9.064
  998   1H5*    T  26          1H5*        T  26  -9.054   4.265 -14.940
  999   2H5*    T  26          2H5*        T  26 -10.627   4.912 -15.453
 1000    H4*    T  26           H4*        T  26 -10.352   4.750 -12.967
 1001    H3*    T  26           H3*        T  26 -10.840   7.401 -14.308
 1002   1H2*    T  26          1H2*        T  26  -9.912   8.535 -12.599
 1003   2H2*    T  26          2H2*        T  26 -10.956   7.706 -11.413
 1004    H1*    T  26           H1*        T  26  -9.483   5.980 -11.021
 1005    H3     T  26           H3         T  26  -6.469   8.154  -8.402
 1006   1H5M    T  26          1H5M        T  26  -5.084  10.583 -12.311
 1007   2H5M    T  26          2H5M        T  26  -4.098   9.119 -12.481
 1008   3H5M    T  26          3H5M        T  26  -5.440   9.418 -13.601
 1009    H6     T  26           H6         T  26  -7.369   8.203 -13.108
 1010   1H5*    C  27          1H5*        C  27 -12.966   5.858 -10.633
 1011   2H5*    C  27          2H5*        C  27 -14.672   6.336 -10.511
 1012    H4*    C  27           H4*        C  27 -13.495   6.476  -8.335
 1013    H3*    C  27           H3*        C  27 -15.022   8.614  -9.513
 1014   1H2*    C  27          1H2*        C  27 -13.217  10.056  -9.662
 1015   2H2*    C  27          2H2*        C  27 -13.576  10.383  -7.952
 1016    H1*    C  27           H1*        C  27 -12.050   8.658  -7.208
 1017   1H4     C  27           H41        C  27  -7.019  11.760 -10.443
 1018   2H4     C  27           H42        C  27  -6.522  11.544  -8.788
 1019    H5     C  27           H5         C  27  -9.137  10.836 -11.311
 1020    H6     C  27           H6         C  27 -11.222   9.813 -10.678
 1021   1H5*    C  28          1H5*        C  28 -14.114   9.267  -4.984
 1022   2H5*    C  28          2H5*        C  28 -15.447  10.138  -4.194
 1023    H4*    C  28           H4*        C  28 -13.293  11.237  -3.762
 1024    H3*    C  28           H3*        C  28 -15.193  12.745  -5.581
 1025   1H2*    C  28          1H2*        C  28 -13.564  14.190  -6.135
 1026   2H2*    C  28          2H2*        C  28 -12.936  14.309  -4.464
 1027    H1*    C  28           H1*        C  28 -11.482  12.596  -4.670
 1028   1H4     C  28           H41        C  28  -9.465  13.869 -10.930
 1029   2H4     C  28           H42        C  28  -8.154  14.303  -9.858
 1030    H5     C  28           H5         C  28 -11.674  13.128 -10.097
 1031    H6     C  28           H6         C  28 -12.937  12.607  -8.088
 1032   1H5*    A  29          1H5*        A  29 -13.460  14.264  -1.659
 1033   2H5*    A  29          2H5*        A  29 -14.541  15.373  -0.794
 1034    H4*    A  29           H4*        A  29 -12.111  15.958  -0.671
 1035    H3*    A  29           H3*        A  29 -14.200  17.782  -0.993
 1036   1H2*    A  29          1H2*        A  29 -13.899  18.028  -3.311
 1037   2H2*    A  29          2H2*        A  29 -12.841  19.350  -2.770
 1038    H1*    A  29           H1*        A  29 -10.884  17.954  -2.845
 1039    H8     A  29           H8         A  29 -13.761  17.013  -5.313
 1040   1H6     A  29           H61        A  29  -9.393  16.788  -9.671
 1041   2H6     A  29           H62        A  29 -11.104  16.641  -9.289
 1042    H2     A  29           H2         A  29  -7.432  17.936  -5.805
 1043   1H5*    A  30          1H5*        A  30  -9.707  19.208  -0.433
 1044   2H5*    A  30          2H5*        A  30  -9.648  20.690   0.543
 1045    H4*    A  30           H4*        A  30  -7.907  20.654  -1.213
 1046    H3*    A  30           H3*        A  30  -9.749  22.848  -0.825
 1047   1H2*    A  30          1H2*        A  30 -10.706  22.600  -2.951
 1048   2H2*    A  30          2H2*        A  30  -9.287  23.571  -3.449
 1049    H1*    A  30           H1*        A  30  -7.995  21.551  -3.895
 1050    H8     A  30           H8         A  30 -11.835  20.862  -4.275
 1051   1H6     A  30           H61        A  30 -10.570  19.565 -10.147
 1052   2H6     A  30           H62        A  30 -11.804  19.750  -8.903
 1053    H2     A  30           H2         A  30  -6.756  20.904  -8.203
 1054    H3T    A  30           H3T        A  30  -7.920  24.002  -1.490
   
  No H/Q in entry =        1054
  Start of MODEL   18
    1    H    MET   1           H        MET   1   3.755 -19.033 -10.513
    2    HA   MET   1           HA       MET   1   4.581 -18.994 -12.831
    3   1HB   MET   1          2HB       MET   1   6.195 -20.835 -12.516
    4   2HB   MET   1          3HB       MET   1   4.871 -21.997 -12.343
    5   1HG   MET   1          2HG       MET   1   5.816 -22.098 -14.575
    6   2HG   MET   1          3HG       MET   1   4.140 -21.555 -14.646
    7   1HE   MET   1          2HE       MET   1   6.064 -21.409 -17.113
    8   2HE   MET   1          3HE       MET   1   4.388 -20.800 -17.131
    9   3HE   MET   1          1HE       MET   1   5.715 -19.775 -17.724
   10    H    LYS  11           H        LYS  11   2.568 -21.463 -11.221
   11    HA   LYS  11           HA       LYS  11   0.542 -21.677 -13.209
   12   1HB   LYS  11          2HB       LYS  11   0.905 -23.220 -11.262
   13   2HB   LYS  11          3HB       LYS  11   0.309 -21.941 -10.189
   14   1HG   LYS  11          2HG       LYS  11  -1.922 -22.044 -11.382
   15   2HG   LYS  11          3HG       LYS  11  -1.260 -23.300 -12.429
   16   1HD   LYS  11          2HD       LYS  11  -2.622 -24.298 -10.689
   17   2HD   LYS  11          3HD       LYS  11  -0.937 -24.781 -10.471
   18   1HE   LYS  11          2HE       LYS  11  -2.075 -24.221  -8.328
   19   2HE   LYS  11          3HE       LYS  11  -0.671 -23.197  -8.614
   20   1HZ   LYS  11          2HZ       LYS  11  -3.475 -22.448  -9.105
   21   2HZ   LYS  11          3HZ       LYS  11  -2.524 -21.942  -7.852
   22   3HZ   LYS  11          1HZ       LYS  11  -2.166 -21.485  -9.389
   23    H    ARG  12           H        ARG  12  -1.584 -20.691 -13.289
   24    HA   ARG  12           HA       ARG  12  -1.805 -18.024 -11.984
   25   1HB   ARG  12          2HB       ARG  12  -2.883 -18.962 -14.655
   26   2HB   ARG  12          3HB       ARG  12  -3.383 -17.495 -13.836
   27   1HG   ARG  12          2HG       ARG  12  -1.869 -16.788 -15.465
   28   2HG   ARG  12          3HG       ARG  12  -1.058 -16.616 -13.904
   29   1HD   ARG  12          2HD       ARG  12   0.450 -17.536 -15.630
   30   2HD   ARG  12          3HD       ARG  12   0.181 -18.637 -14.278
   31    HE   ARG  12           HE       ARG  12  -1.624 -19.002 -16.566
   32   1HH1  ARG  12          1HH1      ARG  12   1.491 -20.009 -15.169
   33   2HH1  ARG  12          2HH1      ARG  12   1.586 -21.454 -16.140
   34   1HH2  ARG  12          1HH2      ARG  12  -1.507 -20.907 -17.776
   35   2HH2  ARG  12          2HH2      ARG  12  -0.148 -21.985 -17.622
   36    H    TYR  13           H        TYR  13  -3.847 -17.372 -11.336
   37    HA   TYR  13           HA       TYR  13  -5.935 -19.472 -10.904
   38   1HB   TYR  13          2HB       TYR  13  -5.499 -16.762  -9.562
   39   2HB   TYR  13          3HB       TYR  13  -6.916 -17.791  -9.357
   40    HD1  TYR  13           HD2      TYR  13  -3.285 -17.494  -8.709
   41    HD2  TYR  13           HD1      TYR  13  -6.901 -19.669  -7.852
   42    HE1  TYR  13           HE2      TYR  13  -2.167 -18.590  -6.797
   43    HE2  TYR  13           HE1      TYR  13  -5.773 -20.792  -5.949
   44    HH   TYR  13           HH       TYR  13  -2.329 -20.600  -5.436
   45    H    ILE  14           H        ILE  14  -7.838 -19.093 -12.055
   46    HA   ILE  14           HA       ILE  14  -7.771 -16.908 -14.072
   47    HB   ILE  14           HB       ILE  14  -9.200 -19.593 -14.060
   48   1HG1  ILE  14          2HG1      ILE  14  -7.865 -20.047 -16.086
   49   2HG1  ILE  14          3HG1      ILE  14  -6.969 -18.544 -15.874
   50   1HG2  ILE  14          3HG2      ILE  14  -9.222 -17.303 -16.071
   51   2HG2  ILE  14          1HG2      ILE  14  -9.819 -18.937 -16.422
   52   3HG2  ILE  14          2HG2      ILE  14 -10.618 -17.971 -15.193
   53   1HD1  ILE  14          2HD1      ILE  14  -6.969 -20.777 -13.800
   54   2HD1  ILE  14          3HD1      ILE  14  -5.845 -20.725 -15.173
   55   3HD1  ILE  14          1HD1      ILE  14  -5.805 -19.433 -13.980
   56    H    CYS  15           H        CYS  15  -9.538 -15.593 -14.357
   57    HA   CYS  15           HA       CYS  15 -11.174 -14.988 -12.072
   58   1HB   CYS  15          2HB       CYS  15 -10.410 -13.286 -13.549
   59   2HB   CYS  15          3HB       CYS  15 -11.129 -14.083 -14.956
   60    H    SER  16           H        SER  16 -12.823 -16.237 -11.418
   61    HA   SER  16           HA       SER  16 -14.003 -18.364 -12.503
   62   1HB   SER  16          2HB       SER  16 -15.551 -16.303 -10.890
   63   2HB   SER  16          3HB       SER  16 -15.640 -18.071 -10.792
   64    HG   SER  16           HG       SER  16 -13.469 -18.023  -9.990
   65    H    PHE  17           H        PHE  17 -14.959 -15.012 -13.149
   66    HA   PHE  17           HA       PHE  17 -17.336 -15.663 -14.692
   67   1HB   PHE  17          2HB       PHE  17 -15.737 -13.089 -14.497
   68   2HB   PHE  17          3HB       PHE  17 -17.342 -13.267 -15.186
   69    HD1  PHE  17           HD1      PHE  17 -19.317 -13.670 -13.738
   70    HD2  PHE  17           HD2      PHE  17 -15.383 -13.155 -12.038
   71    HE1  PHE  17           HE1      PHE  17 -20.298 -13.609 -11.463
   72    HE2  PHE  17           HE2      PHE  17 -16.354 -13.305  -9.772
   73    HZ   PHE  17           HZ       PHE  17 -18.819 -13.463  -9.473
   74    H    ALA  18           H        ALA  18 -15.914 -17.305 -15.838
   75    HA   ALA  18           HA       ALA  18 -13.959 -17.434 -17.432
   76   1HB   ALA  18          1HB       ALA  18 -15.735 -19.100 -17.426
   77   2HB   ALA  18          2HB       ALA  18 -16.754 -18.073 -18.455
   78   3HB   ALA  18          3HB       ALA  18 -15.235 -18.743 -19.091
   79    H    ASP  19           H        ASP  19 -16.801 -15.837 -18.929
   80    HA   ASP  19           HA       ASP  19 -15.811 -15.066 -21.349
   81   1HB   ASP  19          2HB       ASP  19 -17.587 -13.387 -19.525
   82   2HB   ASP  19          3HB       ASP  19 -17.438 -13.218 -21.279
   83    H    CYS  20           H        CYS  20 -15.197 -13.410 -18.264
   84    HA   CYS  20           HA       CYS  20 -14.040 -11.022 -19.171
   85   1HB   CYS  20          2HB       CYS  20 -14.776 -11.636 -16.848
   86   2HB   CYS  20          3HB       CYS  20 -13.342 -12.665 -16.722
   87    H    GLY  21           H        GLY  21 -12.650 -14.285 -18.861
   88   1HA   GLY  21          2HA       GLY  21 -10.666 -15.191 -19.462
   89   2HA   GLY  21          3HA       GLY  21 -10.565 -13.906 -20.673
   90    H    ALA  22           H        ALA  22 -10.585 -13.125 -17.221
   91    HA   ALA  22           HA       ALA  22  -7.816 -12.083 -17.440
   92   1HB   ALA  22          3HB       ALA  22  -9.927 -11.782 -15.271
   93   2HB   ALA  22          1HB       ALA  22  -8.326 -11.021 -15.274
   94   3HB   ALA  22          2HB       ALA  22  -9.515 -10.593 -16.522
   95    H    ALA  23           H        ALA  23  -6.119 -12.804 -16.017
   96    HA   ALA  23           HA       ALA  23  -6.615 -14.861 -14.067
   97   1HB   ALA  23          1HB       ALA  23  -6.612 -16.196 -16.196
   98   2HB   ALA  23          2HB       ALA  23  -5.014 -15.533 -16.589
   99   3HB   ALA  23          3HB       ALA  23  -5.213 -16.583 -15.170
  100    H    TYR  24           H        TYR  24  -4.645 -15.134 -12.741
  101    HA   TYR  24           HA       TYR  24  -2.259 -13.606 -13.522
  102   1HB   TYR  24          2HB       TYR  24  -3.567 -12.917 -10.872
  103   2HB   TYR  24          3HB       TYR  24  -2.151 -12.204 -11.614
  104    HD1  TYR  24           HD2      TYR  24  -5.817 -12.442 -11.768
  105    HD2  TYR  24           HD1      TYR  24  -2.378 -10.383 -13.295
  106    HE1  TYR  24           HE2      TYR  24  -7.302 -10.770 -12.830
  107    HE2  TYR  24           HE1      TYR  24  -3.840  -8.602 -14.196
  108    HH   TYR  24           HH       TYR  24  -6.007  -7.856 -14.453
  109    H    ASN  25           H        ASN  25  -0.443 -14.057 -12.140
  110    HA   ASN  25           HA       ASN  25  -0.309 -16.769 -11.307
  111   1HB   ASN  25          2HB       ASN  25   1.699 -15.857 -12.068
  112   2HB   ASN  25          3HB       ASN  25   1.553 -14.429 -11.031
  113   1HD2  ASN  25          1HD2      ASN  25   2.454 -17.898  -8.977
  114   2HD2  ASN  25          2HD2      ASN  25   1.219 -17.969 -10.221
  115    H    LYS  26           H        LYS  26   0.042 -13.855  -9.309
  116    HA   LYS  26           HA       LYS  26  -0.132 -15.425  -6.900
  117   1HB   LYS  26          2HB       LYS  26  -0.038 -12.409  -7.220
  118   2HB   LYS  26          3HB       LYS  26   0.211 -13.357  -5.735
  119   1HG   LYS  26          2HG       LYS  26   2.113 -14.557  -6.860
  120   2HG   LYS  26          3HG       LYS  26   1.941 -13.467  -8.246
  121   1HD   LYS  26          2HD       LYS  26   2.501 -11.536  -6.894
  122   2HD   LYS  26          3HD       LYS  26   2.433 -12.514  -5.404
  123   1HE   LYS  26          2HE       LYS  26   4.738 -12.056  -6.142
  124   2HE   LYS  26          3HE       LYS  26   4.372 -13.773  -6.000
  125   1HZ   LYS  26          2HZ       LYS  26   4.413 -12.283  -8.526
  126   2HZ   LYS  26          3HZ       LYS  26   5.583 -13.310  -7.981
  127   3HZ   LYS  26          1HZ       LYS  26   4.092 -13.895  -8.356
  128    H    ASN  27           H        ASN  27  -1.818 -15.987  -5.785
  129    HA   ASN  27           HA       ASN  27  -4.455 -15.709  -6.481
  130   1HB   ASN  27          2HB       ASN  27  -3.572 -17.317  -4.782
  131   2HB   ASN  27          3HB       ASN  27  -3.389 -15.974  -3.651
  132   1HD2  ASN  27          1HD2      ASN  27  -7.141 -17.432  -4.441
  133   2HD2  ASN  27          2HD2      ASN  27  -5.803 -17.898  -5.478
  134    H    TRP  28           H        TRP  28  -2.687 -13.591  -4.150
  135    HA   TRP  28           HA       TRP  28  -4.790 -11.944  -3.293
  136   1HB   TRP  28          2HB       TRP  28  -3.230 -10.363  -2.675
  137   2HB   TRP  28          3HB       TRP  28  -2.438 -11.916  -2.462
  138    HD1  TRP  28           HD1      TRP  28  -0.143 -12.195  -3.648
  139    HE1  TRP  28           HE1      TRP  28   1.320 -10.773  -5.178
  140    HE3  TRP  28           HE3      TRP  28  -3.409  -8.351  -4.576
  141    HZ2  TRP  28           HZ2      TRP  28   1.093  -8.320  -6.701
  142    HZ3  TRP  28           HZ3      TRP  28  -2.751  -6.500  -6.079
  143    HH2  TRP  28           HH2      TRP  28  -0.512  -6.460  -7.127
  144    H    LYS  29           H        LYS  29  -2.883 -11.720  -6.349
  145    HA   LYS  29           HA       LYS  29  -4.057  -9.223  -7.145
  146   1HB   LYS  29          2HB       LYS  29  -1.827 -10.174  -7.841
  147   2HB   LYS  29          3HB       LYS  29  -2.695 -11.282  -8.919
  148   1HG   LYS  29          2HG       LYS  29  -3.755  -9.319 -10.039
  149   2HG   LYS  29          3HG       LYS  29  -2.856  -8.225  -8.978
  150   1HD   LYS  29          2HD       LYS  29  -1.558 -10.247 -10.857
  151   2HD   LYS  29          3HD       LYS  29  -1.881  -8.569 -11.286
  152   1HE   LYS  29          2HE       LYS  29  -0.412  -7.828  -9.408
  153   2HE   LYS  29          3HE       LYS  29  -0.055  -9.520  -9.023
  154   1HZ   LYS  29          1HZ       LYS  29   0.544  -8.218 -11.574
  155   2HZ   LYS  29          2HZ       LYS  29   1.628  -8.581 -10.384
  156   3HZ   LYS  29          3HZ       LYS  29   0.858  -9.790 -11.194
  157    H    LEU  30           H        LEU  30  -4.679 -12.668  -7.940
  158    HA   LEU  30           HA       LEU  30  -6.824 -12.028  -9.734
  159   1HB   LEU  30          2HB       LEU  30  -5.679 -14.072  -9.921
  160   2HB   LEU  30          3HB       LEU  30  -6.127 -14.597  -8.289
  161    HG   LEU  30           HG       LEU  30  -7.222 -15.633 -10.345
  162   1HD1  LEU  30          2HD1      LEU  30  -8.058 -16.010  -8.155
  163   2HD1  LEU  30          3HD1      LEU  30  -9.078 -14.552  -8.238
  164   3HD1  LEU  30          1HD1      LEU  30  -9.376 -15.924  -9.338
  165   1HD2  LEU  30          3HD2      LEU  30  -7.526 -13.709 -11.667
  166   2HD2  LEU  30          1HD2      LEU  30  -9.047 -14.565 -11.437
  167   3HD2  LEU  30          2HD2      LEU  30  -8.760 -13.049 -10.570
  168    H    GLN  31           H        GLN  31  -6.696 -12.386  -6.179
  169    HA   GLN  31           HA       GLN  31  -9.570 -12.283  -5.832
  170   1HB   GLN  31          2HB       GLN  31  -7.441 -11.265  -3.914
  171   2HB   GLN  31          3HB       GLN  31  -9.148 -11.529  -3.603
  172   1HG   GLN  31          2HG       GLN  31  -6.908 -13.482  -3.695
  173   2HG   GLN  31          3HG       GLN  31  -8.308 -13.425  -2.648
  174   1HE2  GLN  31          1HE2      GLN  31  -8.398 -15.645  -6.087
  175   2HE2  GLN  31          2HE2      GLN  31  -7.044 -14.572  -5.709
  176    H    ALA  32           H        ALA  32  -6.973  -9.824  -5.822
  177    HA   ALA  32           HA       ALA  32  -8.571  -7.548  -5.439
  178   1HB   ALA  32          3HB       ALA  32  -6.075  -7.615  -5.322
  179   2HB   ALA  32          1HB       ALA  32  -6.017  -7.773  -7.091
  180   3HB   ALA  32          2HB       ALA  32  -6.678  -6.301  -6.355
  181    H    HIS  33           H        HIS  33  -7.899  -9.386  -8.422
  182    HA   HIS  33           HA       HIS  33  -9.355  -7.540 -10.118
  183   1HB   HIS  33          2HB       HIS  33  -7.730  -9.120 -11.007
  184   2HB   HIS  33          3HB       HIS  33  -8.711 -10.483 -10.471
  185    HD1  HIS  33           HD1      HIS  33  -8.379  -8.114 -13.344
  186    HD2  HIS  33           HD2      HIS  33 -11.197 -10.778 -11.697
  187    HE1  HIS  33           HE1      HIS  33 -10.247  -8.393 -15.080
  188    H    LEU  34           H        LEU  34 -10.231 -10.769  -8.778
  189    HA   LEU  34           HA       LEU  34 -12.874 -10.884  -9.564
  190   1HB   LEU  34          2HB       LEU  34 -11.521 -11.943  -7.074
  191   2HB   LEU  34          3HB       LEU  34 -13.219 -12.255  -7.404
  192    HG   LEU  34           HG       LEU  34 -10.945 -13.136  -9.202
  193   1HD1  LEU  34          2HD1      LEU  34 -11.109 -14.337  -7.017
  194   2HD1  LEU  34          3HD1      LEU  34 -12.820 -14.673  -7.342
  195   3HD1  LEU  34          1HD1      LEU  34 -11.568 -15.387  -8.373
  196   1HD2  LEU  34          1HD2      LEU  34 -13.959 -13.551  -9.376
  197   2HD2  LEU  34          2HD2      LEU  34 -12.909 -12.796 -10.600
  198   3HD2  LEU  34          3HD2      LEU  34 -12.775 -14.520 -10.263
  199    H    SER  35           H        SER  35 -11.607  -9.055  -6.812
  200    HA   SER  35           HA       SER  35 -13.880  -8.540  -5.366
  201   1HB   SER  35          2HB       SER  35 -12.876  -6.513  -4.631
  202   2HB   SER  35          3HB       SER  35 -11.543  -7.654  -4.923
  203    HG   SER  35           HG       SER  35 -11.120  -6.578  -6.850
  204    H    LYS  36           H        LYS  36 -13.025  -7.108  -8.512
  205    HA   LYS  36           HA       LYS  36 -14.926  -5.044  -8.697
  206   1HB   LYS  36          2HB       LYS  36 -13.879  -6.942 -10.839
  207   2HB   LYS  36          3HB       LYS  36 -14.716  -5.418 -11.162
  208   1HG   LYS  36          2HG       LYS  36 -12.932  -4.121 -10.166
  209   2HG   LYS  36          3HG       LYS  36 -12.104  -5.577  -9.588
  210   1HD   LYS  36          2HD       LYS  36 -11.845  -6.381 -11.923
  211   2HD   LYS  36          3HD       LYS  36 -12.611  -4.894 -12.522
  212   1HE   LYS  36          2HE       LYS  36 -10.792  -3.547 -11.503
  213   2HE   LYS  36          3HE       LYS  36 -10.071  -5.031 -10.840
  214   1HZ   LYS  36          3HZ       LYS  36  -9.733  -5.796 -13.064
  215   2HZ   LYS  36          1HZ       LYS  36 -10.401  -4.423 -13.693
  216   3HZ   LYS  36          2HZ       LYS  36  -8.992  -4.344 -12.837
  217    H    HIS  37           H        HIS  37 -15.260  -8.526  -9.373
  218    HA   HIS  37           HA       HIS  37 -18.052  -8.212 -10.305
  219   1HB   HIS  37          2HB       HIS  37 -16.346 -10.689  -9.999
  220   2HB   HIS  37          3HB       HIS  37 -17.874 -10.550 -10.867
  221    HD1  HIS  37           HD1      HIS  37 -17.734  -9.238 -13.273
  222    HD2  HIS  37           HD2      HIS  37 -14.199 -10.452 -11.372
  223    HE1  HIS  37           HE1      HIS  37 -15.976  -9.550 -15.106
  224    H    THR  38           H        THR  38 -16.216  -9.875  -7.766
  225    HA   THR  38           HA       THR  38 -18.571 -11.063  -6.536
  226    HB   THR  38           HB       THR  38 -16.936 -12.063  -5.026
  227    HG1  THR  38          1HG       THR  38 -15.007 -10.495  -6.412
  228   1HG2  THR  38          1HG2      THR  38 -17.221 -13.070  -7.284
  229   2HG2  THR  38          2HG2      THR  38 -15.845 -12.103  -7.870
  230   3HG2  THR  38          3HG2      THR  38 -15.599 -13.323  -6.609
  231    H    GLY  39           H        GLY  39 -16.530  -8.232  -5.808
  232   1HA   GLY  39          2HA       GLY  39 -16.851  -6.619  -4.193
  233   2HA   GLY  39          3HA       GLY  39 -18.226  -7.507  -3.522
  234    H    GLU  40           H        GLU  40 -15.429  -9.548  -4.009
  235    HA   GLU  40           HA       GLU  40 -15.051  -9.827  -1.132
  236   1HB   GLU  40          2HB       GLU  40 -13.625 -10.933  -3.590
  237   2HB   GLU  40          3HB       GLU  40 -13.111 -11.315  -1.957
  238   1HG   GLU  40          2HG       GLU  40 -15.932 -11.846  -2.997
  239   2HG   GLU  40          3HG       GLU  40 -14.637 -13.053  -2.974
  240    H    LYS  41           H        LYS  41 -13.593  -8.747   0.116
  241    HA   LYS  41           HA       LYS  41 -11.276  -7.372  -1.185
  242   1HB   LYS  41          2HB       LYS  41 -13.029  -6.130   0.947
  243   2HB   LYS  41          3HB       LYS  41 -11.660  -5.398   0.093
  244   1HG   LYS  41          2HG       LYS  41 -13.020  -5.854  -2.092
  245   2HG   LYS  41          3HG       LYS  41 -14.378  -6.196  -1.005
  246   1HD   LYS  41          2HD       LYS  41 -14.773  -3.981  -1.396
  247   2HD   LYS  41          3HD       LYS  41 -13.757  -3.876   0.053
  248   1HE   LYS  41          2HE       LYS  41 -11.755  -3.611  -1.546
  249   2HE   LYS  41          3HE       LYS  41 -12.913  -3.519  -2.876
  250   1HZ   LYS  41          1HZ       LYS  41 -12.854  -1.697  -0.575
  251   2HZ   LYS  41          2HZ       LYS  41 -12.241  -1.367  -2.058
  252   3HZ   LYS  41          3HZ       LYS  41 -13.866  -1.592  -1.871
  253    HA   PRO  42           HA       PRO  42 -10.087 -10.523   1.972
  254   1HB   PRO  42          2HB       PRO  42  -7.542 -10.083   0.405
  255   2HB   PRO  42          3HB       PRO  42  -8.156 -11.598   1.126
  256   1HG   PRO  42          2HG       PRO  42  -8.493 -11.083  -1.496
  257   2HG   PRO  42          3HG       PRO  42  -9.866 -11.754  -0.555
  258   1HD   PRO  42          2HD       PRO  42  -9.397  -8.908  -1.433
  259   2HD   PRO  42          3HD       PRO  42 -10.906  -9.852  -1.387
  260    H    PHE  43           H        PHE  43  -8.387  -7.443   1.249
  261    HA   PHE  43           HA       PHE  43  -7.214  -7.527   4.018
  262   1HB   PHE  43          2HB       PHE  43  -6.120  -6.373   1.469
  263   2HB   PHE  43          3HB       PHE  43  -5.568  -5.899   3.051
  264    HD1  PHE  43           HD2      PHE  43  -4.358  -7.347   4.550
  265    HD2  PHE  43           HD1      PHE  43  -5.630  -8.844   0.691
  266    HE1  PHE  43           HE2      PHE  43  -2.843  -9.291   4.775
  267    HE2  PHE  43           HE1      PHE  43  -4.051 -10.697   0.894
  268    HZ   PHE  43           HZ       PHE  43  -2.638 -10.936   2.926
  269    HA   PRO  44           HA       PRO  44  -9.995  -3.870   4.189
  270   1HB   PRO  44          2HB       PRO  44 -11.558  -4.540   6.277
  271   2HB   PRO  44          3HB       PRO  44 -11.853  -5.252   4.663
  272   1HG   PRO  44          2HG       PRO  44 -10.335  -6.481   6.975
  273   2HG   PRO  44          3HG       PRO  44 -11.610  -7.239   5.986
  274   1HD   PRO  44          2HD       PRO  44  -8.903  -7.580   5.529
  275   2HD   PRO  44          3HD       PRO  44 -10.138  -7.619   4.239
  276    H    CYS  45           H        CYS  45  -9.939  -2.306   5.912
  277    HA   CYS  45           HA       CYS  45  -7.407  -2.325   7.379
  278   1HB   CYS  45          2HB       CYS  45  -8.090  -0.423   6.004
  279   2HB   CYS  45          3HB       CYS  45  -9.552  -0.237   6.958
  280    H    LYS  46           H        LYS  46 -10.530  -3.319   8.167
  281    HA   LYS  46           HA       LYS  46 -11.381  -4.154  10.041
  282   1HB   LYS  46          2HB       LYS  46  -8.872  -3.507  11.574
  283   2HB   LYS  46          3HB       LYS  46 -10.132  -4.669  11.960
  284   1HG   LYS  46          2HG       LYS  46  -8.311  -4.815   9.543
  285   2HG   LYS  46          3HG       LYS  46  -8.066  -5.696  11.059
  286   1HD   LYS  46          2HD       LYS  46 -10.293  -6.826  10.706
  287   2HD   LYS  46          3HD       LYS  46 -10.405  -6.024   9.137
  288   1HE   LYS  46          2HE       LYS  46  -8.361  -8.097  10.042
  289   2HE   LYS  46          3HE       LYS  46  -9.560  -8.249   8.748
  290   1HZ   LYS  46          2HZ       LYS  46  -8.312  -6.452   7.600
  291   2HZ   LYS  46          3HZ       LYS  46  -7.173  -6.539   8.775
  292   3HZ   LYS  46          1HZ       LYS  46  -7.451  -7.845   7.814
  293    H    GLU  47           H        GLU  47  -9.622  -1.149  10.816
  294    HA   GLU  47           HA       GLU  47 -10.769  -0.308  13.115
  295   1HB   GLU  47          2HB       GLU  47 -10.116   1.382  10.676
  296   2HB   GLU  47          3HB       GLU  47 -10.423   2.038  12.289
  297   1HG   GLU  47          2HG       GLU  47  -8.489   0.805  13.185
  298   2HG   GLU  47          3HG       GLU  47  -8.176   0.083  11.599
  299    H    GLU  48           H        GLU  48 -12.559   0.714  13.875
  300    HA   GLU  48           HA       GLU  48 -15.072   0.259  12.686
  301   1HB   GLU  48          2HB       GLU  48 -14.216   2.295  14.805
  302   2HB   GLU  48          3HB       GLU  48 -15.884   1.945  14.361
  303   1HG   GLU  48          2HG       GLU  48 -15.438   0.699  16.336
  304   2HG   GLU  48          3HG       GLU  48 -15.572  -0.448  15.001
  305    H    GLY  49           H        GLY  49 -16.161   1.324  11.089
  306   1HA   GLY  49          2HA       GLY  49 -16.815   3.023   9.660
  307   2HA   GLY  49          3HA       GLY  49 -15.767   4.172  10.512
  308    H    CYS  50           H        CYS  50 -13.295   3.377  10.308
  309    HA   CYS  50           HA       CYS  50 -12.655   3.448   7.453
  310   1HB   CYS  50          2HB       CYS  50 -11.502   4.877   9.019
  311   2HB   CYS  50          3HB       CYS  50 -10.939   3.502   9.961
  312    H    GLU  51           H        GLU  51 -13.986   1.225   7.625
  313    HA   GLU  51           HA       GLU  51 -12.329  -1.099   8.242
  314   1HB   GLU  51          2HB       GLU  51 -14.764  -1.025   8.630
  315   2HB   GLU  51          3HB       GLU  51 -15.033  -0.883   6.879
  316   1HG   GLU  51          2HG       GLU  51 -13.999  -3.085   6.519
  317   2HG   GLU  51          3HG       GLU  51 -13.559  -3.179   8.237
  318    H    LYS  52           H        LYS  52 -13.110   0.886   5.486
  319    HA   LYS  52           HA       LYS  52 -12.723   0.778   3.243
  320   1HB   LYS  52          2HB       LYS  52 -10.117   0.048   4.519
  321   2HB   LYS  52          3HB       LYS  52 -10.274   0.871   2.933
  322   1HG   LYS  52          2HG       LYS  52 -11.003   2.003   5.667
  323   2HG   LYS  52          3HG       LYS  52  -9.549   2.358   4.763
  324   1HD   LYS  52          2HD       LYS  52 -10.882   3.353   2.924
  325   2HD   LYS  52          3HD       LYS  52 -12.387   2.966   3.785
  326   1HE   LYS  52          2HE       LYS  52 -11.683   4.391   5.685
  327   2HE   LYS  52          3HE       LYS  52 -10.192   4.808   4.834
  328   1HZ   LYS  52          3HZ       LYS  52 -12.912   5.364   3.860
  329   2HZ   LYS  52          1HZ       LYS  52 -11.932   6.448   4.623
  330   3HZ   LYS  52          2HZ       LYS  52 -11.492   5.843   3.161
  331    H    GLY  53           H        GLY  53 -10.396  -0.855   2.177
  332   1HA   GLY  53          2HA       GLY  53 -10.794  -3.623   2.169
  333   2HA   GLY  53          3HA       GLY  53 -11.954  -2.940   1.020
  334    H    PHE  54           H        PHE  54  -8.513  -3.426   1.719
  335    HA   PHE  54           HA       PHE  54  -7.799  -1.933  -0.769
  336   1HB   PHE  54          2HB       PHE  54  -6.356  -2.525   1.786
  337   2HB   PHE  54          3HB       PHE  54  -5.465  -2.200   0.317
  338    HD1  PHE  54           HD2      PHE  54  -5.714  -0.075  -0.960
  339    HD2  PHE  54           HD1      PHE  54  -7.667  -0.677   2.843
  340    HE1  PHE  54           HE2      PHE  54  -6.242   2.318  -0.865
  341    HE2  PHE  54           HE1      PHE  54  -8.214   1.743   2.910
  342    HZ   PHE  54           HZ       PHE  54  -7.585   3.226   1.035
  343    H    THR  55           H        THR  55  -8.478  -5.079  -0.088
  344    HA   THR  55           HA       THR  55  -8.093  -7.015  -1.103
  345    HB   THR  55           HB       THR  55  -7.603  -7.103  -3.465
  346    HG1  THR  55          1HG       THR  55  -7.059  -4.355  -3.164
  347   1HG2  THR  55          3HG2      THR  55  -9.645  -4.992  -2.649
  348   2HG2  THR  55          2HG2      THR  55  -9.548  -5.762  -4.241
  349   3HG2  THR  55          1HG2      THR  55  -9.900  -6.748  -2.825
  350    H    SER  56           H        SER  56  -5.106  -5.137  -0.846
  351    HA   SER  56           HA       SER  56  -3.737  -7.755  -0.569
  352   1HB   SER  56          2HB       SER  56  -2.090  -7.359  -2.075
  353   2HB   SER  56          3HB       SER  56  -3.404  -6.514  -2.876
  354    HG   SER  56           HG       SER  56  -1.635  -5.143  -2.806
  355    H    LEU  57           H        LEU  57  -1.777  -7.599   0.694
  356    HA   LEU  57           HA       LEU  57  -2.178  -5.995   3.013
  357   1HB   LEU  57          2HB       LEU  57  -1.040  -8.196   3.068
  358   2HB   LEU  57          3HB       LEU  57   0.278  -7.555   2.086
  359    HG   LEU  57           HG       LEU  57   0.897  -5.999   3.894
  360   1HD1  LEU  57          3HD1      LEU  57  -1.432  -7.264   5.412
  361   2HD1  LEU  57          1HD1      LEU  57  -0.161  -6.276   6.160
  362   3HD1  LEU  57          2HD1      LEU  57  -1.256  -5.547   4.985
  363   1HD2  LEU  57          3HD2      LEU  57   1.838  -8.280   3.809
  364   2HD2  LEU  57          2HD2      LEU  57   1.739  -7.662   5.468
  365   3HD2  LEU  57          1HD2      LEU  57   0.545  -8.846   4.892
  366    H    HIS  58           H        HIS  58   0.018  -5.783   0.206
  367    HA   HIS  58           HA       HIS  58   1.485  -3.535   1.193
  368   1HB   HIS  58          2HB       HIS  58   2.225  -3.275  -1.144
  369   2HB   HIS  58          3HB       HIS  58   2.512  -4.852  -0.380
  370    HD1  HIS  58           HD1      HIS  58   1.285  -6.970  -1.391
  371    HD2  HIS  58           HD2      HIS  58   0.703  -3.294  -3.350
  372    HE1  HIS  58           HE1      HIS  58   0.281  -7.510  -3.650
  373    H    HIS  59           H        HIS  59  -1.451  -3.775  -0.898
  374    HA   HIS  59           HA       HIS  59  -1.751  -0.987  -1.376
  375   1HB   HIS  59          2HB       HIS  59  -3.842  -3.119  -0.897
  376   2HB   HIS  59          3HB       HIS  59  -4.157  -1.511  -1.576
  377    HD1  HIS  59           HD1      HIS  59  -5.011  -3.990  -3.153
  378    HD2  HIS  59           HD2      HIS  59  -1.282  -2.046  -3.507
  379    HE1  HIS  59           HE1      HIS  59  -4.064  -4.619  -5.468
  380    HE2  HIS  59           HE2      HIS  59  -1.803  -3.452  -5.663
  381    H    LEU  60           H        LEU  60  -2.892  -3.100   1.305
  382    HA   LEU  60           HA       LEU  60  -4.124  -1.036   2.773
  383   1HB   LEU  60          2HB       LEU  60  -4.471  -3.500   3.055
  384   2HB   LEU  60          3HB       LEU  60  -2.877  -3.617   3.803
  385    HG   LEU  60           HG       LEU  60  -3.634  -2.123   5.641
  386   1HD1  LEU  60          2HD1      LEU  60  -6.382  -2.360   4.313
  387   2HD1  LEU  60          3HD1      LEU  60  -6.012  -1.628   5.892
  388   3HD1  LEU  60          1HD1      LEU  60  -5.434  -0.859   4.434
  389   1HD2  LEU  60          2HD2      LEU  60  -3.783  -4.591   5.815
  390   2HD2  LEU  60          1HD2      LEU  60  -5.106  -3.802   6.697
  391   3HD2  LEU  60          3HD2      LEU  60  -5.417  -4.544   5.115
  392    H    THR  61           H        THR  61  -0.758  -2.163   2.715
  393    HA   THR  61           HA       THR  61   0.169  -0.706   4.983
  394    HB   THR  61           HB       THR  61   1.745  -1.503   2.514
  395    HG1  THR  61          1HG       THR  61   0.620  -3.220   3.681
  396   1HG2  THR  61          3HG2      THR  61   2.623  -0.880   5.363
  397   2HG2  THR  61          1HG2      THR  61   3.661  -1.520   4.074
  398   3HG2  THR  61          2HG2      THR  61   2.974   0.108   3.925
  399    H    ARG  62           H        ARG  62   0.116   0.184   1.444
  400    HA   ARG  62           HA       ARG  62   1.164   2.793   1.996
  401   1HB   ARG  62          2HB       ARG  62   0.406   3.532  -0.169
  402   2HB   ARG  62          3HB       ARG  62   1.343   2.030  -0.220
  403   1HG   ARG  62          2HG       ARG  62  -0.658   0.727  -0.499
  404   2HG   ARG  62          3HG       ARG  62  -1.700   2.164  -0.348
  405   1HD   ARG  62          2HD       ARG  62  -0.764   3.074  -2.438
  406   2HD   ARG  62          3HD       ARG  62   0.396   1.732  -2.498
  407    HE   ARG  62           HE       ARG  62  -1.207   0.380  -3.413
  408   1HH1  ARG  62          1HH2      ARG  62  -2.902   3.169  -1.983
  409   2HH1  ARG  62          2HH2      ARG  62  -4.443   2.633  -2.635
  410   1HH2  ARG  62          2HH1      ARG  62  -3.290  -0.310  -4.050
  411   2HH2  ARG  62          1HH1      ARG  62  -4.663   0.689  -3.652
  412    H    HIS  63           H        HIS  63  -2.232   1.569   1.920
  413    HA   HIS  63           HA       HIS  63  -3.523   4.065   2.351
  414   1HB   HIS  63          2HB       HIS  63  -4.814   2.083   1.940
  415   2HB   HIS  63          3HB       HIS  63  -4.181   1.269   3.358
  416    HD1  HIS  63           HD1      HIS  63  -6.166   4.595   2.860
  417    HD2  HIS  63           HD2      HIS  63  -5.653   1.348   5.493
  418    HE1  HIS  63           HE1      HIS  63  -7.680   5.013   4.846
  419    H    SER  64           H        SER  64  -2.036   1.820   4.718
  420    HA   SER  64           HA       SER  64  -2.706   3.222   7.046
  421   1HB   SER  64          2HB       SER  64  -0.132   1.666   6.614
  422   2HB   SER  64          3HB       SER  64  -0.933   2.047   8.147
  423    HG   SER  64           HG       SER  64  -2.064   0.466   6.055
  424    H    LEU  65           H        LEU  65  -0.339   4.205   4.596
  425    HA   LEU  65           HA       LEU  65   1.303   5.886   6.182
  426   1HB   LEU  65          2HB       LEU  65   0.307   6.408   3.365
  427   2HB   LEU  65          3HB       LEU  65   1.649   7.225   4.152
  428    HG   LEU  65           HG       LEU  65   1.628   4.251   3.577
  429   1HD1  LEU  65          2HD1      LEU  65   1.579   5.624   1.498
  430   2HD1  LEU  65          3HD1      LEU  65   2.968   6.551   2.098
  431   3HD1  LEU  65          1HD1      LEU  65   3.149   4.826   1.709
  432   1HD2  LEU  65          2HD2      LEU  65   3.903   6.111   4.363
  433   2HD2  LEU  65          3HD2      LEU  65   3.169   4.876   5.420
  434   3HD2  LEU  65          1HD2      LEU  65   4.049   4.391   3.966
  435    H    THR  66           H        THR  66  -2.045   6.287   5.047
  436    HA   THR  66           HA       THR  66  -2.214   9.107   5.554
  437    HB   THR  66           HB       THR  66  -4.600   8.820   5.437
  438    HG1  THR  66          1HG       THR  66  -4.189   6.016   5.417
  439   1HG2  THR  66          2HG2      THR  66  -3.382   8.725   3.290
  440   2HG2  THR  66          3HG2      THR  66  -3.251   6.957   3.407
  441   3HG2  THR  66          1HG2      THR  66  -4.838   7.711   3.258
  442    H    HIS  67           H        HIS  67  -2.444   6.256   7.636
  443    HA   HIS  67           HA       HIS  67  -3.623   7.706   9.895
  444   1HB   HIS  67          2HB       HIS  67  -2.395   4.922   9.710
  445   2HB   HIS  67          3HB       HIS  67  -3.295   5.573  11.073
  446    HD1  HIS  67           HD1      HIS  67  -5.185   6.785   8.245
  447    HD2  HIS  67           HD2      HIS  67  -4.456   2.983   9.889
  448    HE1  HIS  67           HE1      HIS  67  -7.022   5.280   7.390
  449    H    THR  68           H        THR  68  -0.430   6.255   9.030
  450    HA   THR  68           HA       THR  68   0.820   7.233  11.458
  451    HB   THR  68           HB       THR  68   2.905   6.502  10.321
  452    HG1  THR  68          1HG       THR  68   2.585   5.468   8.269
  453   1HG2  THR  68          2HG2      THR  68   1.482   4.875  11.567
  454   2HG2  THR  68          3HG2      THR  68   0.592   4.507  10.077
  455   3HG2  THR  68          1HG2      THR  68   2.317   4.112  10.203
  456    H    GLY  69           H        GLY  69   0.147   8.622   8.311
  457   1HA   GLY  69          2HA       GLY  69   0.345  10.774   7.581
  458   2HA   GLY  69          3HA       GLY  69   1.065  11.255   9.130
  459    H    GLU  70           H        GLU  70   2.309   8.520   7.283
  460    HA   GLU  70           HA       GLU  70   4.927   9.807   7.127
  461   1HB   GLU  70          2HB       GLU  70   3.895   7.050   6.462
  462   2HB   GLU  70          3HB       GLU  70   5.577   7.501   6.174
  463   1HG   GLU  70          2HG       GLU  70   4.215   7.745   8.887
  464   2HG   GLU  70          3HG       GLU  70   5.148   6.333   8.370
  465    H    LYS  71           H        LYS  71   3.599  11.406   5.789
  466    HA   LYS  71           HA       LYS  71   3.469  11.021   2.889
  467   1HB   LYS  71          2HB       LYS  71   1.900  12.348   4.228
  468   2HB   LYS  71          3HB       LYS  71   3.221  13.346   4.835
  469   1HG   LYS  71          2HG       LYS  71   3.560  14.279   2.563
  470   2HG   LYS  71          3HG       LYS  71   2.204  13.290   1.966
  471   1HD   LYS  71          2HD       LYS  71   0.762  14.323   3.799
  472   2HD   LYS  71          3HD       LYS  71   2.107  15.398   4.198
  473   1HE   LYS  71          2HE       LYS  71   0.658  15.248   1.529
  474   2HE   LYS  71          3HE       LYS  71   0.381  16.473   2.776
  475   1HZ   LYS  71          3HZ       LYS  71   2.673  17.153   2.516
  476   2HZ   LYS  71          1HZ       LYS  71   2.880  16.052   1.300
  477   3HZ   LYS  71          2HZ       LYS  71   1.827  17.298   1.106
  478    H    ASN  72           H        ASN  72   5.678  10.410   2.386
  479    HA   ASN  72           HA       ASN  72   7.746  12.547   2.813
  480   1HB   ASN  72          2HB       ASN  72   8.128   9.524   2.965
  481   2HB   ASN  72          3HB       ASN  72   9.400  10.720   3.171
  482   1HD2  ASN  72          1HD2      ASN  72   7.117   9.681   6.365
  483   2HD2  ASN  72          2HD2      ASN  72   6.650   9.162   4.744
  484    H    PHE  73           H        PHE  73   6.215  10.976   0.225
  485    HA   PHE  73           HA       PHE  73   8.719  10.424  -1.192
  486   1HB   PHE  73          2HB       PHE  73   5.857  10.491  -2.154
  487   2HB   PHE  73          3HB       PHE  73   7.257  10.110  -3.152
  488    HD1  PHE  73           HD1      PHE  73   8.868   8.259  -2.338
  489    HD2  PHE  73           HD2      PHE  73   4.954   8.820  -0.645
  490    HE1  PHE  73           HE1      PHE  73   9.030   6.059  -1.253
  491    HE2  PHE  73           HE2      PHE  73   5.072   6.582   0.394
  492    HZ   PHE  73           HZ       PHE  73   7.132   5.200   0.135
  493    H    THR  74           H        THR  74   9.767  12.270  -0.846
  494    HA   THR  74           HA       THR  74   8.923  14.885  -1.650
  495    HB   THR  74           HB       THR  74  11.697  13.870  -0.987
  496    HG1  THR  74          1HG       THR  74  10.103  13.348   0.638
  497   1HG2  THR  74          3HG2      THR  74  10.400  16.627  -0.737
  498   2HG2  THR  74          1HG2      THR  74  12.019  16.188  -0.168
  499   3HG2  THR  74          2HG2      THR  74  11.673  16.169  -1.904
  500    H    CYS  75           H        CYS  75   8.627  15.366  -3.783
  501    HA   CYS  75           HA       CYS  75  10.134  14.167  -5.942
  502   1HB   CYS  75          2HB       CYS  75   8.068  15.170  -6.524
  503   2HB   CYS  75          3HB       CYS  75   8.450  16.664  -5.666
  504    H    ASP  76           H        ASP  76  12.021  14.896  -6.951
  505    HA   ASP  76           HA       ASP  76  13.699  16.760  -5.358
  506   1HB   ASP  76          2HB       ASP  76  14.657  14.622  -5.771
  507   2HB   ASP  76          3HB       ASP  76  14.362  14.720  -7.510
  508    H    SER  77           H        SER  77  14.267  16.350  -8.788
  509    HA   SER  77           HA       SER  77  14.481  17.850 -10.456
  510   1HB   SER  77          2HB       SER  77  11.981  17.552 -10.417
  511   2HB   SER  77          3HB       SER  77  11.856  18.985  -9.390
  512    HG   SER  77           HG       SER  77  12.897  18.852 -12.038
  513    H    ASP  78           H        ASP  78  13.397  20.648 -10.300
  514    HA   ASP  78           HA       ASP  78  15.783  21.930  -9.204
  515   1HB   ASP  78          2HB       ASP  78  13.220  23.107 -10.360
  516   2HB   ASP  78          3HB       ASP  78  14.693  24.010  -9.982
  517    H    GLY  79           H        GLY  79  15.077  20.749  -7.045
  518   1HA   GLY  79          2HA       GLY  79  14.499  20.979  -4.839
  519   2HA   GLY  79          3HA       GLY  79  14.508  22.734  -5.093
  520    H    CYS  80           H        CYS  80  12.401  20.340  -6.712
  521    HA   CYS  80           HA       CYS  80   9.980  21.820  -5.850
  522   1HB   CYS  80          2HB       CYS  80  10.262  21.043  -8.202
  523   2HB   CYS  80          3HB       CYS  80  10.374  19.384  -7.613
  524    H    ASP  81           H        ASP  81  10.930  21.127  -3.592
  525    HA   ASP  81           HA       ASP  81  10.678  18.372  -2.784
  526   1HB   ASP  81          2HB       ASP  81  11.014  20.899  -1.164
  527   2HB   ASP  81          3HB       ASP  81  11.033  19.267  -0.490
  528    H    LEU  82           H        LEU  82   8.395  18.435  -3.879
  529    HA   LEU  82           HA       LEU  82   6.244  19.025  -1.929
  530   1HB   LEU  82          2HB       LEU  82   6.266  17.907  -4.741
  531   2HB   LEU  82          3HB       LEU  82   4.798  18.095  -3.761
  532    HG   LEU  82           HG       LEU  82   6.676  20.325  -4.655
  533   1HD1  LEU  82          2HD1      LEU  82   5.359  19.276  -6.491
  534   2HD1  LEU  82          3HD1      LEU  82   3.862  19.581  -5.584
  535   3HD1  LEU  82          1HD1      LEU  82   4.837  20.940  -6.184
  536   1HD2  LEU  82          3HD2      LEU  82   4.036  20.433  -3.133
  537   2HD2  LEU  82          1HD2      LEU  82   5.626  21.033  -2.589
  538   3HD2  LEU  82          2HD2      LEU  82   4.795  21.833  -3.921
  539    H    ARG  83           H        ARG  83   5.920  17.573  -0.405
  540    HA   ARG  83           HA       ARG  83   7.024  14.851  -0.502
  541   1HB   ARG  83          2HB       ARG  83   5.564  16.443   1.627
  542   2HB   ARG  83          3HB       ARG  83   6.295  14.850   1.859
  543   1HG   ARG  83          2HG       ARG  83   8.518  15.703   1.332
  544   2HG   ARG  83          3HG       ARG  83   7.882  17.314   0.968
  545   1HD   ARG  83          2HD       ARG  83   8.852  17.244   3.223
  546   2HD   ARG  83          3HD       ARG  83   7.121  17.592   3.248
  547    HE   ARG  83           HE       ARG  83   6.628  15.560   4.212
  548   1HH1  ARG  83          1HH1      ARG  83  10.069  15.540   3.353
  549   2HH1  ARG  83          2HH1      ARG  83  10.422  14.150   4.343
  550   1HH2  ARG  83          2HH2      ARG  83   7.025  13.630   5.142
  551   2HH2  ARG  83          1HH2      ARG  83   8.632  13.035   5.464
  552    H    PHE  84           H        PHE  84   5.783  13.578  -1.811
  553    HA   PHE  84           HA       PHE  84   2.855  13.780  -1.704
  554   1HB   PHE  84          2HB       PHE  84   4.686  12.040  -3.381
  555   2HB   PHE  84          3HB       PHE  84   2.937  12.029  -3.496
  556    HD1  PHE  84           HD2      PHE  84   6.005  13.974  -4.244
  557    HD2  PHE  84           HD1      PHE  84   1.700  13.864  -4.600
  558    HE1  PHE  84           HE2      PHE  84   6.065  15.935  -5.717
  559    HE2  PHE  84           HE1      PHE  84   1.813  15.768  -6.166
  560    HZ   PHE  84           HZ       PHE  84   3.947  16.981  -6.488
  561    H    THR  85           H        THR  85   1.462  11.924  -1.367
  562    HA   THR  85           HA       THR  85   2.125  10.403   0.991
  563    HB   THR  85           HB       THR  85  -0.173   9.387   0.322
  564    HG1  THR  85          1HG       THR  85  -1.259  10.789  -1.187
  565   1HG2  THR  85          3HG2      THR  85   0.163  11.200   2.018
  566   2HG2  THR  85          1HG2      THR  85  -0.009  12.408   0.725
  567   3HG2  THR  85          2HG2      THR  85  -1.362  11.325   1.138
  568    H    THR  86           H        THR  86   1.932   9.642  -2.514
  569    HA   THR  86           HA       THR  86   3.205   7.013  -1.890
  570    HB   THR  86           HB       THR  86   1.831   5.955  -3.589
  571    HG1  THR  86          1HG       THR  86   0.111   8.157  -3.704
  572   1HG2  THR  86          3HG2      THR  86   1.009   5.926  -1.231
  573   2HG2  THR  86          1HG2      THR  86   0.013   7.353  -1.575
  574   3HG2  THR  86          2HG2      THR  86  -0.297   5.829  -2.426
  575    H    LYS  87           H        LYS  87   4.462   6.142  -3.557
  576    HA   LYS  87           HA       LYS  87   6.024   7.991  -5.035
  577   1HB   LYS  87          2HB       LYS  87   5.611   4.976  -5.310
  578   2HB   LYS  87          3HB       LYS  87   6.794   5.902  -6.258
  579   1HG   LYS  87          2HG       LYS  87   7.912   6.692  -4.278
  580   2HG   LYS  87          3HG       LYS  87   6.718   5.924  -3.221
  581   1HD   LYS  87          2HD       LYS  87   8.464   4.339  -5.150
  582   2HD   LYS  87          3HD       LYS  87   8.984   4.761  -3.516
  583   1HE   LYS  87          2HE       LYS  87   6.942   3.661  -2.574
  584   2HE   LYS  87          3HE       LYS  87   6.517   3.103  -4.203
  585   1HZ   LYS  87          2HZ       LYS  87   9.003   2.477  -2.762
  586   2HZ   LYS  87          3HZ       LYS  87   7.714   1.469  -2.931
  587   3HZ   LYS  87          1HZ       LYS  87   8.599   1.916  -4.251
  588    H    ALA  88           H        ALA  88   3.146   6.024  -5.891
  589    HA   ALA  88           HA       ALA  88   3.222   6.661  -8.663
  590   1HB   ALA  88          3HB       ALA  88   1.960   4.845  -7.696
  591   2HB   ALA  88          1HB       ALA  88   0.786   5.991  -6.985
  592   3HB   ALA  88          2HB       ALA  88   0.972   5.883  -8.762
  593    H    ASN  89           H        ASN  89   1.662   8.389  -5.868
  594    HA   ASN  89           HA       ASN  89   0.469  10.419  -7.522
  595   1HB   ASN  89          2HB       ASN  89   1.378  10.461  -4.613
  596   2HB   ASN  89          3HB       ASN  89   0.579  11.823  -5.411
  597   1HD2  ASN  89          1HD2      ASN  89  -2.062   9.761  -3.685
  598   2HD2  ASN  89          2HD2      ASN  89  -0.566  10.494  -3.095
  599    H    MET  90           H        MET  90   3.686  10.207  -5.951
  600    HA   MET  90           HA       MET  90   4.718  12.698  -6.826
  601   1HB   MET  90          2HB       MET  90   5.817  11.217  -5.172
  602   2HB   MET  90          3HB       MET  90   6.115  10.029  -6.432
  603   1HG   MET  90          2HG       MET  90   7.562  11.699  -7.624
  604   2HG   MET  90          3HG       MET  90   7.317  12.792  -6.258
  605   1HE   MET  90          2HE       MET  90   8.769   9.343  -7.495
  606   2HE   MET  90          3HE       MET  90   9.682   8.800  -6.060
  607   3HE   MET  90          1HE       MET  90   7.922   8.773  -6.039
  608    H    LYS  91           H        LYS  91   4.716   9.507  -8.473
  609    HA   LYS  91           HA       LYS  91   6.091  10.390 -10.832
  610   1HB   LYS  91          2HB       LYS  91   4.197   8.079 -10.329
  611   2HB   LYS  91          3HB       LYS  91   5.049   8.325 -11.854
  612   1HG   LYS  91          2HG       LYS  91   6.409   7.871  -9.152
  613   2HG   LYS  91          3HG       LYS  91   6.146   6.673 -10.423
  614   1HD   LYS  91          2HD       LYS  91   7.494   8.300 -11.952
  615   2HD   LYS  91          3HD       LYS  91   7.963   9.113 -10.431
  616   1HE   LYS  91          2HE       LYS  91   8.818   6.953  -9.553
  617   2HE   LYS  91          3HE       LYS  91   8.361   6.161 -11.084
  618   1HZ   LYS  91          2HZ       LYS  91   9.892   7.600 -12.211
  619   2HZ   LYS  91          3HZ       LYS  91  10.320   8.331 -10.796
  620   3HZ   LYS  91          1HZ       LYS  91  10.663   6.737 -11.038
  621    H    LYS  92           H        LYS  92   2.539  10.117 -10.183
  622    HA   LYS  92           HA       LYS  92   1.761  11.047 -12.751
  623   1HB   LYS  92          2HB       LYS  92   0.365  11.394 -10.065
  624   2HB   LYS  92          3HB       LYS  92  -0.307  11.860 -11.635
  625   1HG   LYS  92          2HG       LYS  92   0.299   9.360 -12.320
  626   2HG   LYS  92          3HG       LYS  92   0.233   9.090 -10.569
  627   1HD   LYS  92          2HD       LYS  92  -2.012  10.445 -12.107
  628   2HD   LYS  92          3HD       LYS  92  -1.928   8.686 -11.923
  629   1HE   LYS  92          2HE       LYS  92  -1.785  10.552  -9.540
  630   2HE   LYS  92          3HE       LYS  92  -3.332   9.993 -10.219
  631   1HZ   LYS  92          2HZ       LYS  92  -1.185   8.250  -9.219
  632   2HZ   LYS  92          3HZ       LYS  92  -2.561   8.642  -8.404
  633   3HZ   LYS  92          1HZ       LYS  92  -2.658   7.757  -9.792
  634    H    HIS  93           H        HIS  93   2.490  12.889  -9.742
  635    HA   HIS  93           HA       HIS  93   2.107  15.487 -10.805
  636   1HB   HIS  93          2HB       HIS  93   2.479  15.398  -8.507
  637   2HB   HIS  93          3HB       HIS  93   3.864  14.332  -8.642
  638    HD1  HIS  93           HD1      HIS  93   3.109  18.054  -9.535
  639    HD2  HIS  93           HD2      HIS  93   6.229  15.361  -8.661
  640    HE1  HIS  93           HE1      HIS  93   5.252  19.429  -9.374
  641    H    PHE  94           H        PHE  94   5.133  13.512 -10.759
  642    HA   PHE  94           HA       PHE  94   6.724  15.358 -12.151
  643   1HB   PHE  94          2HB       PHE  94   7.420  13.219 -10.963
  644   2HB   PHE  94          3HB       PHE  94   6.955  12.337 -12.411
  645    HD1  PHE  94           HD1      PHE  94   8.165  12.880 -14.627
  646    HD2  PHE  94           HD2      PHE  94   9.512  14.355 -10.797
  647    HE1  PHE  94           HE1      PHE  94  10.358  13.460 -15.614
  648    HE2  PHE  94           HE2      PHE  94  11.721  14.885 -11.784
  649    HZ   PHE  94           HZ       PHE  94  12.142  14.457 -14.200
  650    H    ASN  95           H        ASN  95   4.720  12.739 -13.428
  651    HA   ASN  95           HA       ASN  95   5.229  12.924 -16.186
  652   1HB   ASN  95          2HB       ASN  95   2.955  11.894 -14.528
  653   2HB   ASN  95          3HB       ASN  95   2.734  12.084 -16.272
  654   1HD2  ASN  95          1HD2      ASN  95   5.093   9.072 -14.844
  655   2HD2  ASN  95          2HD2      ASN  95   4.469  10.316 -13.760
  656    H    ARG  96           H        ARG  96   2.820  14.609 -14.148
  657    HA   ARG  96           HA       ARG  96   1.642  16.136 -16.306
  658   1HB   ARG  96          2HB       ARG  96   1.580  16.336 -13.281
  659   2HB   ARG  96          3HB       ARG  96   0.657  17.414 -14.335
  660   1HG   ARG  96          2HG       ARG  96  -0.686  15.599 -15.161
  661   2HG   ARG  96          3HG       ARG  96   0.363  14.382 -14.413
  662   1HD   ARG  96          2HD       ARG  96  -0.192  15.264 -12.167
  663   2HD   ARG  96          3HD       ARG  96  -1.289  16.458 -12.906
  664    HE   ARG  96           HE       ARG  96  -2.102  13.941 -13.834
  665   1HH1  ARG  96          1HH1      ARG  96  -1.818  15.574 -10.719
  666   2HH1  ARG  96          2HH1      ARG  96  -3.134  14.701  -9.958
  667   1HH2  ARG  96          1HH2      ARG  96  -3.829  12.771 -12.848
  668   2HH2  ARG  96          2HH2      ARG  96  -4.260  13.087 -11.184
  669    H    PHE  97           H        PHE  97   4.209  16.819 -13.908
  670    HA   PHE  97           HA       PHE  97   4.360  19.648 -14.776
  671   1HB   PHE  97          2HB       PHE  97   5.471  18.123 -12.418
  672   2HB   PHE  97          3HB       PHE  97   6.058  19.714 -12.863
  673    HD1  PHE  97           HD2      PHE  97   2.636  18.137 -12.531
  674    HD2  PHE  97           HD1      PHE  97   5.249  21.408 -11.494
  675    HE1  PHE  97           HE2      PHE  97   0.828  19.175 -11.253
  676    HE2  PHE  97           HE1      PHE  97   3.482  22.337 -10.035
  677    HZ   PHE  97           HZ       PHE  97   1.275  21.195  -9.863
  678    H    HIS  98           H        HIS  98   6.964  17.362 -13.882
  679    HA   HIS  98           HA       HIS  98   8.865  18.982 -15.321
  680   1HB   HIS  98          2HB       HIS  98   9.160  16.309 -13.921
  681   2HB   HIS  98          3HB       HIS  98  10.493  17.347 -14.452
  682    HD1  HIS  98           HD1      HIS  98  10.176  20.031 -13.301
  683    HD2  HIS  98           HD2      HIS  98   8.468  16.672 -11.422
  684    HE1  HIS  98           HE1      HIS  98   9.620  20.726 -10.910
  685    H    ASN  99           H        ASN  99   7.173  15.976 -16.043
  686    HA   ASN  99           HA       ASN  99   8.918  15.245 -18.274
  687   1HB   ASN  99          2HB       ASN  99   7.695  13.455 -17.406
  688   2HB   ASN  99          3HB       ASN  99   6.258  14.456 -17.205
  689   1HD2  ASN  99          1HD2      ASN  99   4.810  13.608 -20.270
  690   2HD2  ASN  99          2HD2      ASN  99   4.647  14.409 -18.707
  691    H    ILE 100           H        ILE 100   6.072  17.371 -17.844
  692    HA   ILE 100           HA       ILE 100   5.839  17.781 -20.765
  693    HB   ILE 100           HB       ILE 100   4.510  19.273 -18.467
  694   1HG1  ILE 100          2HG1      ILE 100   3.678  16.917 -20.218
  695   2HG1  ILE 100          3HG1      ILE 100   3.768  17.003 -18.456
  696   1HG2  ILE 100          3HG2      ILE 100   4.715  20.608 -20.582
  697   2HG2  ILE 100          1HG2      ILE 100   3.926  19.285 -21.464
  698   3HG2  ILE 100          2HG2      ILE 100   3.049  20.197 -20.214
  699   1HD1  ILE 100          3HD1      ILE 100   1.883  18.730 -18.555
  700   2HD1  ILE 100          1HD1      ILE 100   1.711  18.302 -20.272
  701   3HD1  ILE 100          2HD1      ILE 100   1.465  17.071 -19.026
  702    H    LYS 101           H        LYS 101   6.888  19.674 -17.884
  703    HA   LYS 101           HA       LYS 101   8.273  21.642 -19.600
  704   1HB   LYS 101          2HB       LYS 101   8.168  21.442 -16.567
  705   2HB   LYS 101          3HB       LYS 101   8.655  22.835 -17.537
  706   1HG   LYS 101          2HG       LYS 101   5.855  21.645 -17.320
  707   2HG   LYS 101          3HG       LYS 101   6.429  23.151 -16.607
  708   1HD   LYS 101          2HD       LYS 101   6.872  24.048 -18.914
  709   2HD   LYS 101          3HD       LYS 101   6.154  22.580 -19.600
  710   1HE   LYS 101          2HE       LYS 101   4.730  24.569 -17.771
  711   2HE   LYS 101          3HE       LYS 101   4.535  24.443 -19.526
  712   1HZ   LYS 101          3HZ       LYS 101   3.711  22.218 -19.215
  713   2HZ   LYS 101          1HZ       LYS 101   3.860  22.351 -17.579
  714   3HZ   LYS 101          2HZ       LYS 101   2.796  23.311 -18.389
  715   1H5*    T   1          1H5*        T   1  -5.837  22.574 -16.618
  716   2H5*    T   1          2H5*        T   1  -4.337  21.689 -16.988
  717    H4*    T   1           H4*        T   1  -4.604  22.543 -14.564
  718    H3*    T   1           H3*        T   1  -3.748  19.852 -15.421
  719   1H2*    T   1          1H2*        T   1  -5.151  18.797 -13.967
  720   2H2*    T   1          2H2*        T   1  -4.086  19.359 -12.656
  721    H1*    T   1           H1*        T   1  -5.364  21.382 -12.365
  722    H3     T   1           H3         T   1  -8.636  19.755  -9.614
  723   1H5M    T   1          1H5M        T   1  -9.220  17.159 -14.265
  724   2H5M    T   1          2H5M        T   1 -10.468  17.136 -13.008
  725   3H5M    T   1          3H5M        T   1 -10.452  18.443 -14.208
  726    H6     T   1           H6         T   1  -7.556  19.019 -14.238
  727    H5T    T   1           H5T        T   1  -6.708  20.466 -16.073
  728   1H5*    T   2          1H5*        T   2  -2.458  21.653 -11.435
  729   2H5*    T   2          2H5*        T   2  -0.768  21.308 -11.030
  730    H4*    T   2           H4*        T   2  -2.182  21.004  -9.047
  731    H3*    T   2           H3*        T   2  -1.004  18.518 -10.272
  732   1H2*    T   2          1H2*        T   2  -2.565  17.220  -9.437
  733   2H2*    T   2          2H2*        T   2  -2.281  17.816  -7.771
  734    H1*    T   2           H1*        T   2  -3.861  19.490  -7.967
  735    H3     T   2           H3         T   2  -7.812  17.243  -7.819
  736   1H5M    T   2          1H5M        T   2  -5.914  16.721 -12.827
  737   2H5M    T   2          2H5M        T   2  -5.921  15.141 -12.016
  738   3H5M    T   2          3H5M        T   2  -7.447  15.995 -12.312
  739    H6     T   2           H6         T   2  -4.334  17.532 -11.112
  740   1H5*    G   3          1H5*        G   3  -0.470  19.187  -5.685
  741   2H5*    G   3          2H5*        G   3   0.979  18.356  -5.089
  742    H4*    G   3           H4*        G   3  -1.065  18.043  -3.700
  743    H3*    G   3           H3*        G   3   0.777  16.108  -4.099
  744   1H2*    G   3          1H2*        G   3  -0.453  15.147  -6.030
  745   2H2*    G   3          2H2*        G   3  -0.978  14.074  -4.701
  746    H1*    G   3           H1*        G   3  -2.856  15.531  -4.192
  747    H8     G   3           H8         G   3  -1.821  14.866  -7.883
  748    H1     G   3           H1         G   3  -8.076  14.265  -6.545
  749   1H2     G   3           H21        G   3  -8.361  14.702  -4.282
  750   2H2     G   3           H22        G   3  -7.010  15.284  -3.340
  751   1H5*    G   4          1H5*        G   4  -2.245  16.271  -0.676
  752   2H5*    G   4          2H5*        G   4  -1.576  15.574   0.809
  753    H4*    G   4           H4*        G   4  -4.029  15.520   0.832
  754    H3*    G   4           H3*        G   4  -2.455  13.317   1.415
  755   1H2*    G   4          1H2*        G   4  -2.704  12.282  -0.718
  756   2H2*    G   4          2H2*        G   4  -4.079  11.511   0.105
  757    H1*    G   4           H1*        G   4  -5.613  13.143  -0.733
  758    H8     G   4           H8         G   4  -2.448  13.195  -3.049
  759    H1     G   4           H1         G   4  -7.779  10.921  -5.802
  760   1H2     G   4           H21        G   4  -9.309  10.497  -4.127
  761   2H2     G   4           H22        G   4  -9.062  11.195  -2.537
  762   1H5*    A   5          1H5*        A   5  -6.974  12.273   1.473
  763   2H5*    A   5          2H5*        A   5  -7.378  11.203   2.832
  764    H4*    A   5           H4*        A   5  -8.415  10.408   0.762
  765    H3*    A   5           H3*        A   5  -6.666   8.736   2.351
  766   1H2*    A   5          1H2*        A   5  -5.120   8.538   0.580
  767   2H2*    A   5          2H2*        A   5  -6.214   7.206   0.101
  768    H1*    A   5           H1*        A   5  -7.591   8.764  -1.201
  769    H8     A   5           H8         A   5  -3.764   9.615  -1.186
  770   1H6     A   5           H61        A   5  -4.280   8.747  -7.299
  771   2H6     A   5           H62        A   5  -3.136   9.132  -6.020
  772    H2     A   5           H2         A   5  -8.128   7.679  -5.461
  773   1H5*    T   6          1H5*        T   6 -10.611   7.021   0.194
  774   2H5*    T   6          2H5*        T   6 -11.141   5.594   1.118
  775    H4*    T   6           H4*        T   6 -11.633   5.394  -1.339
  776    H3*    T   6           H3*        T   6 -10.054   3.461   0.223
  777   1H2*    T   6          1H2*        T   6  -8.394   3.270  -1.269
  778   2H2*    T   6          2H2*        T   6  -9.511   2.518  -2.399
  779    H1*    T   6           H1*        T   6 -10.018   4.531  -3.496
  780    H3     T   6           H3         T   6  -6.169   5.033  -5.962
  781   1H5M    T   6          1H5M        T   6  -4.483   6.572  -1.355
  782   2H5M    T   6          2H5M        T   6  -4.642   4.879  -0.835
  783   3H5M    T   6          3H5M        T   6  -3.530   5.319  -2.146
  784    H6     T   6           H6         T   6  -7.127   5.169  -1.248
  785   1H5*    G   7          1H5*        G   7 -12.334   2.010  -3.444
  786   2H5*    G   7          2H5*        G   7 -12.939   0.347  -3.347
  787    H4*    G   7           H4*        G   7 -11.828   0.874  -5.505
  788    H3*    G   7           H3*        G   7 -10.969  -1.405  -3.836
  789   1H2*    G   7          1H2*        G   7  -8.790  -0.833  -3.924
  790   2H2*    G   7          2H2*        G   7  -8.830  -1.438  -5.603
  791    H1*    G   7           H1*        G   7  -9.332   0.757  -6.470
  792    H8     G   7           H8         G   7  -7.704   1.321  -2.958
  793    H1     G   7           H1         G   7  -3.836   2.407  -7.973
  794   1H2     G   7           H21        G   7  -4.852   1.759  -9.876
  795   2H2     G   7           H22        G   7  -6.480   1.112  -9.813
  796   1H5*    G   8          1H5*        G   8 -10.345  -1.555  -8.531
  797   2H5*    G   8          2H5*        G   8 -10.682  -3.211  -9.067
  798    H4*    G   8           H4*        G   8  -8.741  -2.334 -10.223
  799    H3*    G   8           H3*        G   8  -8.624  -4.793  -8.743
  800   1H2*    G   8          1H2*        G   8  -7.114  -3.851  -7.196
  801   2H2*    G   8          2H2*        G   8  -5.910  -4.434  -8.368
  802    H1*    G   8           H1*        G   8  -6.022  -2.289  -9.591
  803    H8     G   8           H8         G   8  -6.616  -1.948  -5.751
  804    H1     G   8           H1         G   8  -0.842   0.059  -7.782
  805   1H2     G   8           H21        G   8  -0.724  -0.248 -10.081
  806   2H2     G   8           H22        G   8  -2.113  -0.886 -10.945
  807   1H5*    G   9          1H5*        G   9  -5.611  -3.390 -12.141
  808   2H5*    G   9          2H5*        G   9  -5.593  -4.789 -13.233
  809    H4*    G   9           H4*        G   9  -3.562  -3.516 -13.525
  810    H3*    G   9           H3*        G   9  -3.564  -6.278 -13.082
  811   1H2*    G   9          1H2*        G   9  -2.991  -6.005 -10.746
  812   2H2*    G   9          2H2*        G   9  -1.406  -6.304 -11.483
  813    H1*    G   9           H1*        G   9  -1.026  -3.917 -11.771
  814    H8     G   9           H8         G   9  -3.349  -4.587  -8.690
  815    H1     G   9           H1         G   9   2.323  -1.881  -7.330
  816   1H2     G   9           H21        G   9   3.579  -1.794  -9.319
  817   2H2     G   9           H22        G   9   2.844  -2.345 -10.821
  818   1H5*    A  10          1H5*        A  10   0.630  -3.844 -13.838
  819   2H5*    A  10          2H5*        A  10   1.264  -4.791 -15.195
  820    H4*    A  10           H4*        A  10   3.134  -3.849 -14.076
  821    H3*    A  10           H3*        A  10   2.866  -6.644 -14.439
  822   1H2*    A  10          1H2*        A  10   2.456  -7.017 -12.130
  823   2H2*    A  10          2H2*        A  10   4.226  -7.204 -12.140
  824    H1*    A  10           H1*        A  10   4.525  -4.829 -11.605
  825    H8     A  10           H8         A  10   1.158  -6.216 -10.246
  826   1H6     A  10           H61        A  10   3.140  -4.399  -4.690
  827   2H6     A  10           H62        A  10   1.838  -5.174  -5.560
  828    H2     A  10           H2         A  10   6.332  -3.493  -7.681
  829   1H5*    G  11          1H5*        G  11   7.269  -4.651 -13.919
  830   2H5*    G  11          2H5*        G  11   8.370  -5.656 -14.882
  831    H4*    G  11           H4*        G  11   9.466  -4.642 -12.910
  832    H3*    G  11           H3*        G  11   9.791  -7.317 -13.666
  833   1H2*    G  11          1H2*        G  11   8.233  -8.114 -12.037
  834   2H2*    G  11          2H2*        G  11   9.743  -8.291 -11.117
  835    H1*    G  11           H1*        G  11   9.501  -6.074 -10.155
  836    H8     G  11           H8         G  11   6.132  -7.880 -10.988
  837    H1     G  11           H1         G  11   6.970  -6.375  -4.810
  838   1H2     G  11           H21        G  11   9.170  -5.614  -4.563
  839   2H2     G  11           H22        G  11  10.135  -5.294  -5.992
  840   1H5*    A  12          1H5*        A  12  12.294  -5.283 -10.127
  841   2H5*    A  12          2H5*        A  12  13.973  -5.803 -10.366
  842    H4*    A  12           H4*        A  12  13.507  -5.295  -8.022
  843    H3*    A  12           H3*        A  12  14.818  -7.624  -8.888
  844   1H2*    A  12          1H2*        A  12  12.956  -9.034  -8.534
  845   2H2*    A  12          2H2*        A  12  13.712  -9.184  -6.932
  846    H1*    A  12           H1*        A  12  12.329  -7.426  -6.020
  847    H8     A  12           H8         A  12  10.612  -9.011  -9.158
  848   1H6     A  12           H61        A  12   5.870 -10.150  -5.395
  849   2H6     A  12           H62        A  12   6.510 -10.262  -7.035
  850    H2     A  12           H2         A  12   9.196  -8.482  -2.926
  851   1H5*    C  13          1H5*        C  13  14.404  -6.609  -4.306
  852   2H5*    C  13          2H5*        C  13  15.922  -6.971  -3.459
  853    H4*    C  13           H4*        C  13  13.913  -7.445  -2.081
  854    H3*    C  13           H3*        C  13  16.034  -9.382  -2.609
  855   1H2*    C  13          1H2*        C  13  14.578 -10.990  -3.378
  856   2H2*    C  13          2H2*        C  13  14.184 -11.244  -1.661
  857    H1*    C  13           H1*        C  13  12.359  -9.660  -1.757
  858   1H4     C  13           H41        C  13   9.380 -12.818  -6.869
  859   2H4     C  13           H42        C  13   8.342 -12.972  -5.469
  860    H5     C  13           H5         C  13  11.637 -11.826  -6.722
  861    H6     C  13           H6         C  13  13.160 -10.651  -5.264
  862   1H5*    C  14          1H5*        C  14  13.350  -9.791   1.137
  863   2H5*    C  14          2H5*        C  14  14.192 -10.466   2.549
  864    H4*    C  14           H4*        C  14  11.949 -11.500   2.115
  865    H3*    C  14           H3*        C  14  14.435 -13.169   2.107
  866   1H2*    C  14          1H2*        C  14  13.526 -14.631   0.660
  867   2H2*    C  14          2H2*        C  14  12.173 -14.943   1.782
  868    H1*    C  14           H1*        C  14  10.808 -13.278   0.859
  869   1H4     C  14           H41        C  14  11.813 -15.061  -5.502
  870   2H4     C  14           H42        C  14  10.161 -15.476  -5.081
  871    H5     C  14           H5         C  14  13.385 -14.130  -3.848
  872    H6     C  14           H6         C  14  13.584 -13.389  -1.522
  873   1H5*    G  15          1H5*        G  15  10.615 -14.735   4.107
  874   2H5*    G  15          2H5*        G  15  10.955 -15.762   5.515
  875    H4*    G  15           H4*        G  15   9.290 -16.794   4.020
  876    H3*    G  15           H3*        G  15  11.823 -18.171   4.673
  877   1H2*    G  15          1H2*        G  15  12.238 -18.665   2.465
  878   2H2*    G  15          2H2*        G  15  10.949 -19.891   2.657
  879    H1*    G  15           H1*        G  15   9.257 -18.331   1.901
  880    H8     G  15           H8         G  15  12.805 -17.504   0.473
  881    H1     G  15           H1         G  15   8.327 -18.731  -3.965
  882   1H2     G  15           H21        G  15   6.354 -19.281  -2.884
  883   2H2     G  15           H22        G  15   6.273 -19.246  -1.134
  884    H3T    G  15           H3T        G  15   9.810 -18.639   5.633
  885   1H5*    C  16          1H5*        C  16   3.982 -24.159  -8.912
  886   2H5*    C  16          2H5*        C  16   2.289 -23.652  -9.118
  887    H4*    C  16           H4*        C  16   3.236 -22.950  -6.916
  888    H3*    C  16           H3*        C  16   2.250 -20.939  -8.909
  889   1H2*    C  16          1H2*        C  16   3.736 -19.400  -8.209
  890   2H2*    C  16          2H2*        C  16   2.992 -19.423  -6.582
  891    H1*    C  16           H1*        C  16   4.460 -21.151  -5.845
  892   1H4     C  16           H41        C  16  10.010 -17.892  -7.629
  893   2H4     C  16           H42        C  16   9.902 -17.861  -5.878
  894    H5     C  16           H5         C  16   8.231 -18.859  -9.028
  895    H6     C  16           H6         C  16   6.130 -20.037  -8.978
  896    H5T    C  16           H5T        C  16   4.492 -22.106  -9.981
  897   1H5*    G  17          1H5*        G  17   1.087 -20.607  -4.419
  898   2H5*    G  17          2H5*        G  17  -0.525 -19.883  -4.234
  899    H4*    G  17           H4*        G  17   1.097 -18.933  -2.659
  900    H3*    G  17           H3*        G  17  -0.507 -17.296  -4.423
  901   1H2*    G  17          1H2*        G  17   1.436 -16.476  -5.504
  902   2H2*    G  17          2H2*        G  17   1.401 -15.309  -4.157
  903    H1*    G  17           H1*        G  17   2.803 -16.811  -2.795
  904    H8     G  17           H8         G  17   3.474 -16.898  -6.641
  905    H1     G  17           H1         G  17   8.564 -15.431  -3.003
  906   1H2     G  17           H21        G  17   7.907 -15.523  -0.772
  907   2H2     G  17           H22        G  17   6.251 -15.914  -0.365
  908   1H5*    G  18          1H5*        G  18   0.598 -16.486   0.097
  909   2H5*    G  18          2H5*        G  18  -0.651 -15.451   0.810
  910    H4*    G  18           H4*        G  18   1.491 -15.262   1.990
  911    H3*    G  18           H3*        G  18  -0.046 -13.072   1.191
  912   1H2*    G  18          1H2*        G  18   1.282 -12.563  -0.687
  913   2H2*    G  18          2H2*        G  18   2.105 -11.547   0.513
  914    H1*    G  18           H1*        G  18   3.777 -13.226   0.941
  915    H8     G  18           H8         G  18   2.114 -13.897  -2.519
  916    H1     G  18           H1         G  18   8.299 -12.222  -2.899
  917   1H2     G  18           H21        G  18   9.044 -11.695  -0.771
  918   2H2     G  18           H22        G  18   8.022 -12.003   0.623
  919   1H5*    T  19          1H5*        T  19   3.951 -12.334   3.504
  920   2H5*    T  19          2H5*        T  19   3.714 -11.115   4.772
  921    H4*    T  19           H4*        T  19   5.956 -10.997   3.705
  922    H3*    T  19           H3*        T  19   4.233  -8.759   4.140
  923   1H2*    T  19          1H2*        T  19   3.888  -8.402   1.856
  924   2H2*    T  19          2H2*        T  19   5.390  -7.471   2.020
  925    H1*    T  19           H1*        T  19   6.755  -9.411   1.448
  926    H3     T  19           H3         T  19   6.697  -9.428  -3.127
  927   1H5M    T  19          1H5M        T  19   1.953  -9.281  -2.987
  928   2H5M    T  19          2H5M        T  19   2.157 -11.019  -2.746
  929   3H5M    T  19          3H5M        T  19   1.561 -10.006  -1.409
  930    H6     T  19           H6         T  19   3.288  -9.768   0.219
  931   1H5*    C  20          1H5*        C  20   8.928  -7.978   3.224
  932   2H5*    C  20          2H5*        C  20   9.430  -6.546   4.146
  933    H4*    C  20           H4*        C  20  10.444  -6.646   1.874
  934    H3*    C  20           H3*        C  20   9.044  -4.345   2.940
  935   1H2*    C  20          1H2*        C  20   7.482  -4.288   1.253
  936   2H2*    C  20          2H2*        C  20   8.771  -3.530   0.293
  937    H1*    C  20           H1*        C  20   9.527  -5.644  -0.575
  938   1H4     C  20           H41        C  20   3.313  -6.675  -2.974
  939   2H4     C  20           H42        C  20   4.432  -6.825  -4.311
  940    H5     C  20           H5         C  20   4.112  -6.451  -0.638
  941    H6     C  20           H6         C  20   6.034  -5.899   0.707
  942   1H5*    T  21          1H5*        T  21  11.983  -3.629  -0.687
  943   2H5*    T  21          2H5*        T  21  12.684  -1.996  -0.674
  944    H4*    T  21           H4*        T  21  11.765  -2.691  -2.892
  945    H3*    T  21           H3*        T  21  10.879  -0.210  -1.524
  946   1H2*    T  21          1H2*        T  21   8.713  -0.570  -1.999
  947   2H2*    T  21          2H2*        T  21   9.079  -0.277  -3.712
  948    H1*    T  21           H1*        T  21   9.559  -2.546  -4.162
  949    H3     T  21           H3         T  21   5.270  -3.764  -5.001
  950   1H5M    T  21          1H5M        T  21   5.617  -2.323   0.256
  951   2H5M    T  21          2H5M        T  21   4.153  -1.953  -0.669
  952   3H5M    T  21          3H5M        T  21   4.511  -3.627  -0.198
  953    H6     T  21           H6         T  21   7.524  -2.252  -1.053
  954   1H5*    C  22          1H5*        C  22  10.880  -0.585  -6.065
  955   2H5*    C  22          2H5*        C  22  11.271   0.921  -6.920
  956    H4*    C  22           H4*        C  22   9.348  -0.174  -7.936
  957    H3*    C  22           H3*        C  22   8.809   2.415  -6.491
  958   1H2*    C  22          1H2*        C  22   6.643   1.946  -6.341
  959   2H2*    C  22          2H2*        C  22   6.505   1.622  -8.092
  960    H1*    C  22           H1*        C  22   7.041  -0.650  -7.872
  961   1H4     C  22           H41        C  22   2.263  -1.108  -3.181
  962   2H4     C  22           H42        C  22   1.553  -1.535  -4.727
  963    H5     C  22           H5         C  22   4.601  -0.267  -3.017
  964    H6     C  22           H6         C  22   6.650   0.080  -4.280
  965   1H5*    C  23          1H5*        C  23   7.402   1.914 -10.915
  966   2H5*    C  23          2H5*        C  23   7.111   3.487 -11.694
  967    H4*    C  23           H4*        C  23   5.269   1.865 -12.005
  968    H3*    C  23           H3*        C  23   4.675   4.379 -10.439
  969   1H2*    C  23          1H2*        C  23   2.600   3.623  -9.994
  970   2H2*    C  23          2H2*        C  23   2.410   2.774 -11.562
  971    H1*    C  23           H1*        C  23   3.197   0.816 -10.824
  972   1H4     C  23           H41        C  23   1.028   1.698  -4.530
  973   2H4     C  23           H42        C  23  -0.207   0.790  -5.371
  974    H5     C  23           H5         C  23   3.049   2.522  -5.657
  975    H6     C  23           H6         C  23   4.171   2.665  -7.798
  976   1H5*    C  24          1H5*        C  24   2.372   2.809 -14.014
  977   2H5*    C  24          2H5*        C  24   2.094   4.138 -15.156
  978    H4*    C  24           H4*        C  24   0.221   2.576 -15.199
  979    H3*    C  24           H3*        C  24  -0.009   5.398 -14.731
  980   1H2*    C  24          1H2*        C  24  -0.973   5.263 -12.669
  981   2H2*    C  24          2H2*        C  24  -2.473   4.883 -13.554
  982    H1*    C  24           H1*        C  24  -2.224   2.555 -13.232
  983   1H4     C  24           H41        C  24  -0.509   3.008  -6.782
  984   2H4     C  24           H42        C  24  -2.199   2.646  -6.725
  985    H5     C  24           H5         C  24   0.667   3.574  -8.776
  986    H6     C  24           H6         C  24   0.523   3.842 -11.158
  987   1H5*    A  25          1H5*        A  25  -3.776   3.087 -15.622
  988   2H5*    A  25          2H5*        A  25  -4.730   3.832 -16.926
  989    H4*    A  25           H4*        A  25  -6.185   3.047 -15.104
  990    H3*    A  25           H3*        A  25  -6.126   5.795 -16.070
  991   1H2*    A  25          1H2*        A  25  -5.666   6.693 -14.001
  992   2H2*    A  25          2H2*        A  25  -7.402   6.438 -13.693
  993    H1*    A  25           H1*        A  25  -6.992   4.312 -12.646
  994    H8     A  25           H8         A  25  -3.710   6.442 -12.544
  995   1H6     A  25           H61        A  25  -3.866   5.650  -6.437
  996   2H6     A  25           H62        A  25  -2.959   6.229  -7.825
  997    H2     A  25           H2         A  25  -7.691   4.028  -8.125
  998   1H5*    T  26          1H5*        T  26  -9.652   3.959 -13.926
  999   2H5*    T  26          2H5*        T  26 -11.270   4.563 -14.343
 1000    H4*    T  26           H4*        T  26 -10.825   4.357 -11.873
 1001    H3*    T  26           H3*        T  26 -11.589   6.966 -13.150
 1002   1H2*    T  26          1H2*        T  26 -10.517   8.166 -11.569
 1003   2H2*    T  26          2H2*        T  26 -11.454   7.358 -10.283
 1004    H1*    T  26           H1*        T  26  -9.914   5.656  -9.967
 1005    H3     T  26           H3         T  26  -6.803   7.933  -7.551
 1006   1H5M    T  26          1H5M        T  26  -4.788   8.881 -11.884
 1007   2H5M    T  26          2H5M        T  26  -6.249   9.387 -12.758
 1008   3H5M    T  26          3H5M        T  26  -5.620  10.377 -11.427
 1009    H6     T  26           H6         T  26  -8.001   7.944 -12.186
 1010   1H5*    C  27          1H5*        C  27 -13.179   5.283  -9.303
 1011   2H5*    C  27          2H5*        C  27 -14.887   5.623  -8.956
 1012    H4*    C  27           H4*        C  27 -13.438   5.816  -6.950
 1013    H3*    C  27           H3*        C  27 -15.304   7.818  -7.818
 1014   1H2*    C  27          1H2*        C  27 -13.647   9.404  -8.230
 1015   2H2*    C  27          2H2*        C  27 -13.812   9.723  -6.488
 1016    H1*    C  27           H1*        C  27 -12.075   8.103  -5.954
 1017   1H4     C  27           H41        C  27  -7.635  11.566  -9.641
 1018   2H4     C  27           H42        C  27  -6.969  11.359  -8.044
 1019    H5     C  27           H5         C  27  -9.804  10.551 -10.298
 1020    H6     C  27           H6         C  27 -11.745   9.394  -9.463
 1021   1H5*    C  28          1H5*        C  28 -13.599   8.462  -3.565
 1022   2H5*    C  28          2H5*        C  28 -14.830   9.108  -2.458
 1023    H4*    C  28           H4*        C  28 -12.774  10.430  -2.340
 1024    H3*    C  28           H3*        C  28 -15.194  11.777  -3.552
 1025   1H2*    C  28          1H2*        C  28 -13.912  13.345  -4.520
 1026   2H2*    C  28          2H2*        C  28 -13.026  13.667  -3.001
 1027    H1*    C  28           H1*        C  28 -11.396  12.108  -3.390
 1028   1H4     C  28           H41        C  28 -10.160  13.524  -9.786
 1029   2H4     C  28           H42        C  28  -8.802  14.107  -8.852
 1030    H5     C  28           H5         C  28 -12.200  12.598  -8.745
 1031    H6     C  28           H6         C  28 -13.209  11.974  -6.625
 1032   1H5*    A  29          1H5*        A  29 -12.744  13.567  -0.157
 1033   2H5*    A  29          2H5*        A  29 -13.684  14.588   0.951
 1034    H4*    A  29           H4*        A  29 -11.459  15.535   0.319
 1035    H3*    A  29           H3*        A  29 -13.947  16.993   0.260
 1036   1H2*    A  29          1H2*        A  29 -13.855  17.350  -2.026
 1037   2H2*    A  29          2H2*        A  29 -12.784  18.705  -1.587
 1038    H1*    A  29           H1*        A  29 -10.808  17.323  -1.842
 1039    H8     A  29           H8         A  29 -13.860  16.278  -4.059
 1040   1H6     A  29           H61        A  29  -9.945  16.589  -8.826
 1041   2H6     A  29           H62        A  29 -11.593  16.286  -8.290
 1042    H2     A  29           H2         A  29  -7.723  17.799  -5.123
 1043   1H5*    A  30          1H5*        A  30  -9.652  18.830   0.460
 1044   2H5*    A  30          2H5*        A  30  -9.609  20.324   1.417
 1045    H4*    A  30           H4*        A  30  -8.053  20.388  -0.508
 1046    H3*    A  30           H3*        A  30 -10.055  22.447   0.009
 1047   1H2*    A  30          1H2*        A  30 -11.071  22.153  -2.069
 1048   2H2*    A  30          2H2*        A  30  -9.716  23.182  -2.629
 1049    H1*    A  30           H1*        A  30  -8.358  21.214  -3.114
 1050    H8     A  30           H8         A  30 -12.154  20.258  -3.324
 1051   1H6     A  30           H61        A  30 -11.115  19.308  -9.308
 1052   2H6     A  30           H62        A  30 -12.299  19.381  -8.005
 1053    H2     A  30           H2         A  30  -7.292  20.786  -7.488
 1054    H3T    A  30           H3T        A  30  -7.794  22.723   0.176
   
  No H/Q in entry =        1054
  Start of MODEL   19
    1    H    MET   1           H        MET   1   0.357 -21.991  -8.643
    2    HA   MET   1           HA       MET   1   2.405 -22.688  -9.832
    3   1HB   MET   1          2HB       MET   1   1.959 -25.095  -9.300
    4   2HB   MET   1          3HB       MET   1   0.732 -25.141 -10.569
    5   1HG   MET   1          2HG       MET   1   3.676 -24.448 -10.964
    6   2HG   MET   1          3HG       MET   1   2.968 -26.044 -11.220
    7   1HE   MET   1          2HE       MET   1   4.163 -26.126 -13.571
    8   2HE   MET   1          3HE       MET   1   3.940 -24.884 -14.825
    9   3HE   MET   1          1HE       MET   1   4.802 -24.480 -13.322
   10    H    LYS  11           H        LYS  11  -0.832 -23.631 -11.022
   11    HA   LYS  11           HA       LYS  11  -0.521 -22.097 -13.480
   12   1HB   LYS  11          2HB       LYS  11  -1.743 -24.302 -13.359
   13   2HB   LYS  11          3HB       LYS  11  -2.996 -23.492 -12.415
   14   1HG   LYS  11          2HG       LYS  11  -3.801 -23.542 -14.632
   15   2HG   LYS  11          3HG       LYS  11  -3.296 -21.868 -14.399
   16   1HD   LYS  11          2HD       LYS  11  -1.157 -22.354 -15.619
   17   2HD   LYS  11          3HD       LYS  11  -1.635 -24.051 -15.763
   18   1HE   LYS  11          2HE       LYS  11  -2.085 -22.900 -17.854
   19   2HE   LYS  11          3HE       LYS  11  -3.620 -23.372 -17.111
   20   1HZ   LYS  11          2HZ       LYS  11  -2.401 -20.697 -16.991
   21   2HZ   LYS  11          3HZ       LYS  11  -3.662 -21.140 -17.954
   22   3HZ   LYS  11          1HZ       LYS  11  -3.844 -21.122 -16.319
   23    H    ARG  12           H        ARG  12  -0.064 -20.305 -11.656
   24    HA   ARG  12           HA       ARG  12  -0.718 -18.259 -10.792
   25   1HB   ARG  12          2HB       ARG  12  -2.256 -18.578 -13.394
   26   2HB   ARG  12          3HB       ARG  12  -2.273 -17.052 -12.562
   27   1HG   ARG  12          2HG       ARG  12  -0.648 -17.186 -14.413
   28   2HG   ARG  12          3HG       ARG  12  -0.003 -16.625 -12.878
   29   1HD   ARG  12          2HD       ARG  12   0.983 -18.788 -12.415
   30   2HD   ARG  12          3HD       ARG  12   0.283 -19.471 -13.923
   31    HE   ARG  12           HE       ARG  12   1.839 -17.331 -14.719
   32   1HH1  ARG  12          2HH1      ARG  12   2.351 -20.351 -12.848
   33   2HH1  ARG  12          1HH1      ARG  12   4.074 -20.332 -13.096
   34   1HH2  ARG  12          1HH2      ARG  12   4.093 -17.460 -15.159
   35   2HH2  ARG  12          2HH2      ARG  12   5.045 -18.775 -14.521
   36    H    TYR  13           H        TYR  13  -3.708 -17.535 -11.558
   37    HA   TYR  13           HA       TYR  13  -5.341 -19.181  -9.850
   38   1HB   TYR  13          2HB       TYR  13  -4.964 -16.213  -9.152
   39   2HB   TYR  13          3HB       TYR  13  -6.189 -17.299  -8.516
   40    HD1  TYR  13           HD2      TYR  13  -2.536 -16.593  -8.559
   41    HD2  TYR  13           HD1      TYR  13  -5.736 -18.772  -6.667
   42    HE1  TYR  13           HE2      TYR  13  -0.938 -17.582  -6.996
   43    HE2  TYR  13           HE1      TYR  13  -4.168 -19.555  -4.926
   44    HH   TYR  13           HH       TYR  13  -1.976 -19.609  -4.215
   45    H    ILE  14           H        ILE  14  -7.313 -19.132 -10.971
   46    HA   ILE  14           HA       ILE  14  -7.444 -17.279 -13.294
   47    HB   ILE  14           HB       ILE  14  -8.658 -20.039 -12.994
   48   1HG1  ILE  14          2HG1      ILE  14  -6.033 -19.009 -14.119
   49   2HG1  ILE  14          3HG1      ILE  14  -6.297 -20.351 -12.998
   50   1HG2  ILE  14          2HG2      ILE  14  -9.838 -18.513 -14.601
   51   2HG2  ILE  14          3HG2      ILE  14  -8.286 -18.240 -15.426
   52   3HG2  ILE  14          1HG2      ILE  14  -9.044 -19.848 -15.411
   53   1HD1  ILE  14          3HD1      ILE  14  -7.397 -21.593 -14.920
   54   2HD1  ILE  14          1HD1      ILE  14  -6.834 -20.261 -15.977
   55   3HD1  ILE  14          2HD1      ILE  14  -5.662 -21.254 -15.103
   56    H    CYS  15           H        CYS  15  -9.245 -16.200 -13.787
   57    HA   CYS  15           HA       CYS  15 -10.974 -15.359 -11.693
   58   1HB   CYS  15          2HB       CYS  15 -10.379 -13.881 -13.411
   59   2HB   CYS  15          3HB       CYS  15 -10.906 -14.988 -14.683
   60    H    SER  16           H        SER  16 -12.625 -16.425 -10.816
   61    HA   SER  16           HA       SER  16 -13.629 -18.849 -11.423
   62   1HB   SER  16          2HB       SER  16 -15.317 -16.603 -10.258
   63   2HB   SER  16          3HB       SER  16 -15.287 -18.315  -9.795
   64    HG   SER  16           HG       SER  16 -13.121 -17.950  -9.048
   65    H    PHE  17           H        PHE  17 -14.755 -15.761 -12.745
   66    HA   PHE  17           HA       PHE  17 -17.110 -16.826 -14.062
   67   1HB   PHE  17          2HB       PHE  17 -15.644 -14.205 -14.493
   68   2HB   PHE  17          3HB       PHE  17 -17.274 -14.594 -15.013
   69    HD1  PHE  17           HD2      PHE  17 -19.114 -14.863 -13.328
   70    HD2  PHE  17           HD1      PHE  17 -15.155 -13.610 -12.153
   71    HE1  PHE  17           HE2      PHE  17 -19.945 -14.335 -11.053
   72    HE2  PHE  17           HE1      PHE  17 -15.953 -13.264  -9.844
   73    HZ   PHE  17           HZ       PHE  17 -18.366 -13.571  -9.297
   74    H    ALA  18           H        ALA  18 -15.604 -18.604 -14.867
   75    HA   ALA  18           HA       ALA  18 -13.742 -19.085 -16.435
   76   1HB   ALA  18          1HB       ALA  18 -15.551 -20.674 -16.132
   77   2HB   ALA  18          2HB       ALA  18 -16.556 -19.827 -17.326
   78   3HB   ALA  18          3HB       ALA  18 -15.060 -20.638 -17.836
   79    H    ASP  19           H        ASP  19 -16.529 -17.870 -18.333
   80    HA   ASP  19           HA       ASP  19 -15.420 -17.563 -20.798
   81   1HB   ASP  19          2HB       ASP  19 -17.352 -15.625 -19.452
   82   2HB   ASP  19          3HB       ASP  19 -17.102 -15.804 -21.193
   83    H    CYS  20           H        CYS  20 -15.015 -15.304 -18.093
   84    HA   CYS  20           HA       CYS  20 -13.909 -13.093 -19.415
   85   1HB   CYS  20          2HB       CYS  20 -14.729 -13.324 -17.027
   86   2HB   CYS  20          3HB       CYS  20 -13.205 -14.148 -16.667
   87    H    GLY  21           H        GLY  21 -12.412 -16.160 -18.420
   88   1HA   GLY  21          2HA       GLY  21 -10.360 -17.070 -18.716
   89   2HA   GLY  21          3HA       GLY  21 -10.327 -16.147 -20.224
   90    H    ALA  22           H        ALA  22 -10.311 -14.639 -16.997
   91    HA   ALA  22           HA       ALA  22  -7.657 -13.444 -17.573
   92   1HB   ALA  22          2HB       ALA  22  -9.474 -11.936 -16.907
   93   2HB   ALA  22          3HB       ALA  22  -9.699 -12.844 -15.398
   94   3HB   ALA  22          1HB       ALA  22  -8.183 -11.968 -15.686
   95    H    ALA  23           H        ALA  23  -5.851 -13.791 -16.164
   96    HA   ALA  23           HA       ALA  23  -6.180 -15.461 -13.822
   97   1HB   ALA  23          2HB       ALA  23  -6.008 -17.163 -15.608
   98   2HB   ALA  23          3HB       ALA  23  -4.524 -16.395 -16.209
   99   3HB   ALA  23          1HB       ALA  23  -4.525 -17.158 -14.604
  100    H    TYR  24           H        TYR  24  -4.334 -15.220 -12.404
  101    HA   TYR  24           HA       TYR  24  -2.038 -13.667 -13.408
  102   1HB   TYR  24          2HB       TYR  24  -3.517 -12.616 -10.986
  103   2HB   TYR  24          3HB       TYR  24  -2.133 -11.941 -11.832
  104    HD1  TYR  24           HD2      TYR  24  -5.761 -12.608 -12.033
  105    HD2  TYR  24           HD1      TYR  24  -2.490 -10.461 -13.799
  106    HE1  TYR  24           HE2      TYR  24  -7.365 -11.260 -13.342
  107    HE2  TYR  24           HE1      TYR  24  -4.091  -8.973 -14.963
  108    HH   TYR  24           HH       TYR  24  -6.340  -8.417 -15.263
  109    H    ASN  25           H        ASN  25  -0.232 -13.842 -12.144
  110    HA   ASN  25           HA       ASN  25   0.078 -16.227 -10.597
  111   1HB   ASN  25          2HB       ASN  25   2.380 -15.533 -10.330
  112   2HB   ASN  25          3HB       ASN  25   1.883 -15.330 -12.012
  113   1HD2  ASN  25          1HD2      ASN  25   3.785 -12.284 -10.663
  114   2HD2  ASN  25          2HD2      ASN  25   4.113 -14.000 -10.508
  115    H    LYS  26           H        LYS  26   0.041 -12.770  -9.720
  116    HA   LYS  26           HA       LYS  26   0.372 -13.375  -6.878
  117   1HB   LYS  26          2HB       LYS  26  -0.335 -10.844  -8.390
  118   2HB   LYS  26          3HB       LYS  26  -0.145 -10.945  -6.641
  119   1HG   LYS  26          2HG       LYS  26   1.989 -11.423  -8.762
  120   2HG   LYS  26          3HG       LYS  26   1.865 -10.055  -7.652
  121   1HD   LYS  26          2HD       LYS  26   2.065 -11.824  -5.738
  122   2HD   LYS  26          3HD       LYS  26   2.611 -12.937  -7.004
  123   1HE   LYS  26          2HE       LYS  26   3.889 -10.288  -6.207
  124   2HE   LYS  26          3HE       LYS  26   4.522 -11.912  -5.911
  125   1HZ   LYS  26          2HZ       LYS  26   4.656 -12.186  -8.310
  126   2HZ   LYS  26          3HZ       LYS  26   4.174 -10.616  -8.519
  127   3HZ   LYS  26          1HZ       LYS  26   5.592 -10.944  -7.761
  128    H    ASN  27           H        ASN  27  -1.176 -14.439  -5.895
  129    HA   ASN  27           HA       ASN  27  -3.807 -14.812  -6.551
  130   1HB   ASN  27          2HB       ASN  27  -2.391 -15.935  -4.803
  131   2HB   ASN  27          3HB       ASN  27  -2.734 -14.573  -3.711
  132   1HD2  ASN  27          1HD2      ASN  27  -5.071 -17.211  -2.766
  133   2HD2  ASN  27          2HD2      ASN  27  -3.348 -16.852  -2.653
  134    H    TRP  28           H        TRP  28  -2.512 -12.179  -4.510
  135    HA   TRP  28           HA       TRP  28  -4.964 -10.915  -3.781
  136   1HB   TRP  28          2HB       TRP  28  -3.666  -9.060  -3.212
  137   2HB   TRP  28          3HB       TRP  28  -2.847 -10.510  -2.679
  138    HD1  TRP  28           HD1      TRP  28  -0.403 -10.822  -3.370
  139    HE1  TRP  28           HE1      TRP  28   1.307  -9.554  -4.780
  140    HE3  TRP  28           HE3      TRP  28  -3.522  -7.374  -5.572
  141    HZ2  TRP  28           HZ2      TRP  28   1.305  -7.468  -6.754
  142    HZ3  TRP  28           HZ3      TRP  28  -2.636  -5.825  -7.274
  143    HH2  TRP  28           HH2      TRP  28  -0.245  -5.876  -7.895
  144    H    LYS  29           H        LYS  29  -2.976 -10.714  -6.736
  145    HA   LYS  29           HA       LYS  29  -4.290  -8.362  -7.784
  146   1HB   LYS  29          2HB       LYS  29  -1.944  -9.379  -8.181
  147   2HB   LYS  29          3HB       LYS  29  -2.733 -10.397  -9.403
  148   1HG   LYS  29          2HG       LYS  29  -3.294  -8.400 -10.701
  149   2HG   LYS  29          3HG       LYS  29  -2.884  -7.350  -9.337
  150   1HD   LYS  29          2HD       LYS  29  -1.010  -7.211 -10.801
  151   2HD   LYS  29          3HD       LYS  29  -0.496  -8.182  -9.437
  152   1HE   LYS  29          2HE       LYS  29  -0.948 -10.262 -10.781
  153   2HE   LYS  29          3HE       LYS  29  -1.374  -9.226 -12.165
  154   1HZ   LYS  29          2HZ       LYS  29   1.224  -9.229 -10.809
  155   2HZ   LYS  29          3HZ       LYS  29   0.881 -10.074 -12.179
  156   3HZ   LYS  29          1HZ       LYS  29   0.824  -8.429 -12.199
  157    H    LEU  30           H        LEU  30  -4.575 -11.910  -8.126
  158    HA   LEU  30           HA       LEU  30  -6.752 -11.771 -10.010
  159   1HB   LEU  30          2HB       LEU  30  -5.478 -13.721  -9.910
  160   2HB   LEU  30          3HB       LEU  30  -5.783 -13.983  -8.186
  161    HG   LEU  30           HG       LEU  30  -6.891 -15.459  -9.935
  162   1HD1  LEU  30          2HD1      LEU  30  -8.649 -14.182  -7.849
  163   2HD1  LEU  30          3HD1      LEU  30  -8.982 -15.696  -8.723
  164   3HD1  LEU  30          1HD1      LEU  30  -7.541 -15.562  -7.696
  165   1HD2  LEU  30          2HD2      LEU  30  -7.441 -13.869 -11.564
  166   2HD2  LEU  30          3HD2      LEU  30  -8.882 -14.752 -11.058
  167   3HD2  LEU  30          1HD2      LEU  30  -8.645 -13.083 -10.523
  168    H    GLN  31           H        GLN  31  -6.600 -11.769  -6.396
  169    HA   GLN  31           HA       GLN  31  -9.430 -11.777  -5.997
  170   1HB   GLN  31          2HB       GLN  31  -7.368 -10.277  -4.325
  171   2HB   GLN  31          3HB       GLN  31  -9.035 -10.602  -3.925
  172   1HG   GLN  31          2HG       GLN  31  -6.682 -12.454  -3.854
  173   2HG   GLN  31          3HG       GLN  31  -7.990 -12.253  -2.705
  174   1HE2  GLN  31          1HE2      GLN  31  -8.205 -15.081  -5.620
  175   2HE2  GLN  31          2HE2      GLN  31  -6.817 -14.013  -5.463
  176    H    ALA  32           H        ALA  32  -7.174  -9.038  -6.480
  177    HA   ALA  32           HA       ALA  32  -9.118  -6.979  -6.404
  178   1HB   ALA  32          3HB       ALA  32  -6.666  -6.609  -6.371
  179   2HB   ALA  32          1HB       ALA  32  -6.555  -7.131  -8.066
  180   3HB   ALA  32          2HB       ALA  32  -7.436  -5.653  -7.654
  181    H    HIS  33           H        HIS  33  -8.040  -9.034  -9.170
  182    HA   HIS  33           HA       HIS  33  -9.777  -7.811 -11.063
  183   1HB   HIS  33          2HB       HIS  33  -7.978  -9.332 -11.680
  184   2HB   HIS  33          3HB       HIS  33  -8.841 -10.687 -10.949
  185    HD1  HIS  33           HD1      HIS  33  -8.512  -8.991 -14.207
  186    HD2  HIS  33           HD2      HIS  33 -11.398 -11.213 -12.091
  187    HE1  HIS  33           HE1      HIS  33 -10.311  -9.661 -15.891
  188    H    LEU  34           H        LEU  34 -10.387 -10.709  -8.945
  189    HA   LEU  34           HA       LEU  34 -13.056 -11.154  -9.672
  190   1HB   LEU  34          2HB       LEU  34 -11.496 -11.677  -7.158
  191   2HB   LEU  34          3HB       LEU  34 -13.243 -11.739  -7.058
  192    HG   LEU  34           HG       LEU  34 -13.408 -13.366  -8.771
  193   1HD1  LEU  34          2HD1      LEU  34 -10.388 -13.291  -8.935
  194   2HD1  LEU  34          3HD1      LEU  34 -11.395 -14.564  -9.638
  195   3HD1  LEU  34          1HD1      LEU  34 -11.520 -12.902 -10.247
  196   1HD2  LEU  34          1HD2      LEU  34 -13.079 -14.085  -6.422
  197   2HD2  LEU  34          2HD2      LEU  34 -12.368 -15.263  -7.539
  198   3HD2  LEU  34          3HD2      LEU  34 -11.320 -14.119  -6.671
  199    H    SER  35           H        SER  35 -11.817  -8.751  -7.342
  200    HA   SER  35           HA       SER  35 -14.281  -7.994  -6.267
  201   1HB   SER  35          2HB       SER  35 -13.410  -6.030  -5.488
  202   2HB   SER  35          3HB       SER  35 -12.028  -7.135  -5.516
  203    HG   SER  35           HG       SER  35 -11.495  -6.096  -7.571
  204    H    LYS  36           H        LYS  36 -13.071  -7.232  -9.522
  205    HA   LYS  36           HA       LYS  36 -14.822  -5.129 -10.236
  206   1HB   LYS  36          2HB       LYS  36 -13.901  -7.502 -11.920
  207   2HB   LYS  36          3HB       LYS  36 -14.602  -6.010 -12.543
  208   1HG   LYS  36          2HG       LYS  36 -12.702  -4.703 -11.808
  209   2HG   LYS  36          3HG       LYS  36 -11.985  -6.101 -10.983
  210   1HD   LYS  36          2HD       LYS  36 -11.782  -7.325 -13.095
  211   2HD   LYS  36          3HD       LYS  36 -12.561  -5.997 -13.980
  212   1HE   LYS  36          2HE       LYS  36 -10.716  -4.480 -13.408
  213   2HE   LYS  36          3HE       LYS  36  -9.949  -5.746 -12.421
  214   1HZ   LYS  36          3HZ       LYS  36  -9.711  -7.043 -14.416
  215   2HZ   LYS  36          2HZ       LYS  36 -10.403  -5.852 -15.320
  216   3HZ   LYS  36          1HZ       LYS  36  -8.959  -5.586 -14.573
  217    H    HIS  37           H        HIS  37 -15.311  -8.656 -10.186
  218    HA   HIS  37           HA       HIS  37 -18.066  -8.441 -11.249
  219   1HB   HIS  37          2HB       HIS  37 -16.429 -10.837 -10.391
  220   2HB   HIS  37          3HB       HIS  37 -17.964 -10.875 -11.255
  221    HD1  HIS  37           HD1      HIS  37 -17.849 -10.377 -13.889
  222    HD2  HIS  37           HD2      HIS  37 -14.244 -10.726 -11.771
  223    HE1  HIS  37           HE1      HIS  37 -16.065 -11.072 -15.581
  224    H    THR  38           H        THR  38 -16.381  -9.737  -8.405
  225    HA   THR  38           HA       THR  38 -18.772 -10.535  -7.016
  226    HB   THR  38           HB       THR  38 -17.230 -11.168  -5.242
  227    HG1  THR  38          1HG       THR  38 -15.235  -9.879  -6.791
  228   1HG2  THR  38          2HG2      THR  38 -17.299 -12.677  -7.205
  229   2HG2  THR  38          3HG2      THR  38 -15.934 -11.799  -7.936
  230   3HG2  THR  38          1HG2      THR  38 -15.706 -12.667  -6.418
  231    H    GLY  39           H        GLY  39 -16.715  -7.607  -6.864
  232   1HA   GLY  39          2HA       GLY  39 -16.987  -5.678  -5.655
  233   2HA   GLY  39          3HA       GLY  39 -18.543  -6.263  -5.049
  234    H    GLU  40           H        GLU  40 -16.041  -8.624  -4.570
  235    HA   GLU  40           HA       GLU  40 -16.155  -8.174  -1.693
  236   1HB   GLU  40          2HB       GLU  40 -14.759 -10.197  -3.486
  237   2HB   GLU  40          3HB       GLU  40 -14.533 -10.190  -1.742
  238   1HG   GLU  40          2HG       GLU  40 -17.280 -10.383  -3.063
  239   2HG   GLU  40          3HG       GLU  40 -16.325 -11.783  -2.545
  240    H    LYS  41           H        LYS  41 -14.439  -7.767  -0.314
  241    HA   LYS  41           HA       LYS  41 -11.916  -6.682  -1.483
  242   1HB   LYS  41          2HB       LYS  41 -13.418  -5.287   0.750
  243   2HB   LYS  41          3HB       LYS  41 -12.032  -4.728  -0.198
  244   1HG   LYS  41          2HG       LYS  41 -13.657  -4.898  -2.259
  245   2HG   LYS  41          3HG       LYS  41 -14.931  -5.076  -1.038
  246   1HD   LYS  41          2HD       LYS  41 -15.015  -2.812  -1.346
  247   2HD   LYS  41          3HD       LYS  41 -13.849  -2.908  -0.013
  248   1HE   LYS  41          2HE       LYS  41 -11.998  -2.864  -1.772
  249   2HE   LYS  41          3HE       LYS  41 -13.248  -2.579  -2.999
  250   1HZ   LYS  41          2HZ       LYS  41 -13.846  -0.585  -1.765
  251   2HZ   LYS  41          3HZ       LYS  41 -12.645  -0.909  -0.669
  252   3HZ   LYS  41          1HZ       LYS  41 -12.255  -0.553  -2.223
  253    HA   PRO  42           HA       PRO  42 -11.473 -10.224   1.498
  254   1HB   PRO  42          2HB       PRO  42  -8.820 -10.052   0.052
  255   2HB   PRO  42          3HB       PRO  42  -9.660 -11.519   0.641
  256   1HG   PRO  42          2HG       PRO  42  -9.869 -10.762  -1.942
  257   2HG   PRO  42          3HG       PRO  42 -11.355 -11.264  -1.070
  258   1HD   PRO  42          2HD       PRO  42 -10.350  -8.511  -1.722
  259   2HD   PRO  42          3HD       PRO  42 -12.006  -9.160  -1.787
  260    H    PHE  43           H        PHE  43  -9.358  -7.357   1.308
  261    HA   PHE  43           HA       PHE  43  -8.031  -8.144   3.876
  262   1HB   PHE  43          2HB       PHE  43  -7.178  -6.272   1.668
  263   2HB   PHE  43          3HB       PHE  43  -6.368  -6.462   3.206
  264    HD1  PHE  43           HD2      PHE  43  -7.158  -8.205  -0.025
  265    HD2  PHE  43           HD1      PHE  43  -5.090  -8.465   3.763
  266    HE1  PHE  43           HE2      PHE  43  -5.922 -10.162  -0.833
  267    HE2  PHE  43           HE1      PHE  43  -3.871 -10.455   2.941
  268    HZ   PHE  43           HZ       PHE  43  -4.262 -11.296   0.636
  269    HA   PRO  44           HA       PRO  44 -10.790  -4.631   5.056
  270   1HB   PRO  44          2HB       PRO  44 -11.619  -5.469   7.491
  271   2HB   PRO  44          3HB       PRO  44 -12.324  -6.117   5.982
  272   1HG   PRO  44          2HG       PRO  44 -10.098  -7.359   7.637
  273   2HG   PRO  44          3HG       PRO  44 -11.599  -8.146   7.065
  274   1HD   PRO  44          2HD       PRO  44  -9.257  -8.374   5.707
  275   2HD   PRO  44          3HD       PRO  44 -10.814  -8.206   4.838
  276    H    CYS  45           H        CYS  45 -10.187  -2.879   6.336
  277    HA   CYS  45           HA       CYS  45  -7.474  -2.893   7.428
  278   1HB   CYS  45          2HB       CYS  45  -8.353  -1.075   6.051
  279   2HB   CYS  45          3HB       CYS  45  -9.578  -0.738   7.283
  280    H    LYS  46           H        LYS  46 -10.687  -3.217   8.701
  281    HA   LYS  46           HA       LYS  46 -11.540  -3.619  10.710
  282   1HB   LYS  46          2HB       LYS  46  -8.703  -4.358  11.451
  283   2HB   LYS  46          3HB       LYS  46 -10.122  -4.718  12.410
  284   1HG   LYS  46          2HG       LYS  46  -9.530  -5.731   9.597
  285   2HG   LYS  46          3HG       LYS  46  -9.447  -6.659  11.091
  286   1HD   LYS  46          2HD       LYS  46 -11.980  -5.554   9.788
  287   2HD   LYS  46          3HD       LYS  46 -11.472  -7.234   9.893
  288   1HE   LYS  46          2HE       LYS  46 -11.706  -7.180  12.357
  289   2HE   LYS  46          3HE       LYS  46 -12.205  -5.476  12.286
  290   1HZ   LYS  46          2HZ       LYS  46 -13.651  -7.661  10.993
  291   2HZ   LYS  46          3HZ       LYS  46 -14.056  -6.943  12.422
  292   3HZ   LYS  46          1HZ       LYS  46 -14.076  -6.062  11.032
  293    H    GLU  47           H        GLU  47  -8.865  -1.322  10.982
  294    HA   GLU  47           HA       GLU  47  -9.104  -0.434  13.546
  295   1HB   GLU  47          2HB       GLU  47  -8.826   1.245  11.019
  296   2HB   GLU  47          3HB       GLU  47  -8.569   1.854  12.665
  297   1HG   GLU  47          2HG       GLU  47  -6.810   0.087  12.997
  298   2HG   GLU  47          3HG       GLU  47  -6.972  -0.353  11.288
  299    H    GLU  48           H        GLU  48 -10.449   0.714  14.807
  300    HA   GLU  48           HA       GLU  48 -13.187   0.796  14.399
  301   1HB   GLU  48          2HB       GLU  48 -11.598   2.762  16.116
  302   2HB   GLU  48          3HB       GLU  48 -13.305   2.342  16.264
  303   1HG   GLU  48          2HG       GLU  48 -12.502   0.967  17.889
  304   2HG   GLU  48          3HG       GLU  48 -12.332  -0.151  16.534
  305    H    GLY  49           H        GLY  49 -14.525   2.028  13.154
  306   1HA   GLY  49          2HA       GLY  49 -15.342   3.847  11.980
  307   2HA   GLY  49          3HA       GLY  49 -13.957   4.826  12.494
  308    H    CYS  50           H        CYS  50 -11.784   3.664  11.589
  309    HA   CYS  50           HA       CYS  50 -11.878   3.901   8.675
  310   1HB   CYS  50          2HB       CYS  50 -10.155   4.947   9.974
  311   2HB   CYS  50          3HB       CYS  50  -9.696   3.431  10.736
  312    H    GLU  51           H        GLU  51 -13.505   1.748   9.387
  313    HA   GLU  51           HA       GLU  51 -11.951  -0.724   9.065
  314   1HB   GLU  51          2HB       GLU  51 -13.809  -0.618  10.634
  315   2HB   GLU  51          3HB       GLU  51 -14.943  -0.289   9.305
  316   1HG   GLU  51          2HG       GLU  51 -14.595  -2.461   8.353
  317   2HG   GLU  51          3HG       GLU  51 -13.122  -2.720   9.296
  318    H    LYS  52           H        LYS  52 -11.127   0.489   7.080
  319    HA   LYS  52           HA       LYS  52 -12.759   0.628   4.709
  320   1HB   LYS  52          2HB       LYS  52  -9.768   0.154   4.856
  321   2HB   LYS  52          3HB       LYS  52 -10.661   0.846   3.505
  322   1HG   LYS  52          2HG       LYS  52 -10.117   2.146   6.217
  323   2HG   LYS  52          3HG       LYS  52  -9.414   2.555   4.664
  324   1HD   LYS  52          2HD       LYS  52 -11.788   3.065   3.824
  325   2HD   LYS  52          3HD       LYS  52 -12.315   2.922   5.516
  326   1HE   LYS  52          2HE       LYS  52 -10.613   4.696   6.122
  327   2HE   LYS  52          3HE       LYS  52 -10.245   4.871   4.391
  328   1HZ   LYS  52          3HZ       LYS  52 -12.518   5.491   4.034
  329   2HZ   LYS  52          1HZ       LYS  52 -12.862   5.330   5.639
  330   3HZ   LYS  52          2HZ       LYS  52 -11.811   6.493   5.133
  331    H    GLY  53           H        GLY  53 -12.330  -0.761   2.758
  332   1HA   GLY  53          2HA       GLY  53 -11.889  -3.661   3.364
  333   2HA   GLY  53          3HA       GLY  53 -13.158  -3.052   2.293
  334    H    PHE  54           H        PHE  54  -9.866  -3.988   2.452
  335    HA   PHE  54           HA       PHE  54  -9.247  -2.631  -0.132
  336   1HB   PHE  54          2HB       PHE  54  -7.488  -3.539   2.143
  337   2HB   PHE  54          3HB       PHE  54  -6.868  -3.365   0.518
  338    HD1  PHE  54           HD2      PHE  54  -7.155  -1.224  -0.717
  339    HD2  PHE  54           HD1      PHE  54  -8.177  -1.507   3.432
  340    HE1  PHE  54           HE2      PHE  54  -6.914   1.236  -0.513
  341    HE2  PHE  54           HE1      PHE  54  -8.035   0.966   3.624
  342    HZ   PHE  54           HZ       PHE  54  -7.575   2.345   1.611
  343    H    THR  55           H        THR  55  -8.463  -3.807  -1.883
  344    HA   THR  55           HA       THR  55  -9.344  -6.599  -2.008
  345    HB   THR  55           HB       THR  55  -8.604  -6.034  -4.463
  346    HG1  THR  55          1HG       THR  55  -8.748  -3.720  -4.758
  347   1HG2  THR  55          2HG2      THR  55 -10.897  -4.554  -3.081
  348   2HG2  THR  55          3HG2      THR  55 -10.767  -4.853  -4.823
  349   3HG2  THR  55          1HG2      THR  55 -10.956  -6.213  -3.699
  350    H    SER  56           H        SER  56  -6.316  -5.027  -1.320
  351    HA   SER  56           HA       SER  56  -5.069  -7.667  -1.492
  352   1HB   SER  56          2HB       SER  56  -3.177  -6.997  -2.776
  353   2HB   SER  56          3HB       SER  56  -4.643  -6.682  -3.731
  354    HG   SER  56           HG       SER  56  -4.301  -4.546  -3.441
  355    H    LEU  57           H        LEU  57  -3.238  -7.875  -0.208
  356    HA   LEU  57           HA       LEU  57  -3.076  -6.306   2.133
  357   1HB   LEU  57          2HB       LEU  57  -2.228  -8.612   1.971
  358   2HB   LEU  57          3HB       LEU  57  -1.027  -8.119   0.775
  359    HG   LEU  57           HG       LEU  57   0.145  -6.780   2.457
  360   1HD1  LEU  57          2HD1      LEU  57  -2.049  -7.716   4.364
  361   2HD1  LEU  57          3HD1      LEU  57  -0.524  -6.961   4.871
  362   3HD1  LEU  57          1HD1      LEU  57  -1.680  -6.035   3.916
  363   1HD2  LEU  57          3HD2      LEU  57   0.659  -9.197   2.191
  364   2HD2  LEU  57          1HD2      LEU  57   0.949  -8.624   3.847
  365   3HD2  LEU  57          2HD2      LEU  57  -0.505  -9.573   3.479
  366    H    HIS  58           H        HIS  58  -1.436  -6.137  -1.034
  367    HA   HIS  58           HA       HIS  58   0.476  -4.174  -0.290
  368   1HB   HIS  58          2HB       HIS  58   1.259  -4.467  -2.299
  369   2HB   HIS  58          3HB       HIS  58   0.101  -5.738  -2.509
  370    HD1  HIS  58           HD1      HIS  58  -1.506  -5.324  -4.609
  371    HD2  HIS  58           HD2      HIS  58   0.602  -1.957  -3.230
  372    HE1  HIS  58           HE1      HIS  58  -1.788  -3.501  -6.378
  373    H    HIS  59           H        HIS  59  -2.850  -3.842  -1.716
  374    HA   HIS  59           HA       HIS  59  -2.823  -0.989  -1.821
  375   1HB   HIS  59          2HB       HIS  59  -5.204  -2.776  -1.174
  376   2HB   HIS  59          3HB       HIS  59  -5.212  -1.057  -1.634
  377    HD1  HIS  59           HD1      HIS  59  -6.835  -3.148  -3.432
  378    HD2  HIS  59           HD2      HIS  59  -2.926  -1.669  -4.023
  379    HE1  HIS  59           HE1      HIS  59  -6.359  -3.323  -5.922
  380    HE2  HIS  59           HE2      HIS  59  -4.019  -2.355  -6.300
  381    H    LEU  60           H        LEU  60  -3.751  -3.260   0.798
  382    HA   LEU  60           HA       LEU  60  -4.435  -1.277   2.670
  383   1HB   LEU  60          2HB       LEU  60  -4.891  -3.769   2.808
  384   2HB   LEU  60          3HB       LEU  60  -3.204  -3.991   3.283
  385    HG   LEU  60           HG       LEU  60  -3.628  -2.487   5.272
  386   1HD1  LEU  60          1HD1      LEU  60  -6.543  -2.812   4.408
  387   2HD1  LEU  60          2HD1      LEU  60  -5.972  -2.119   5.943
  388   3HD1  LEU  60          3HD1      LEU  60  -5.654  -1.271   4.439
  389   1HD2  LEU  60          1HD2      LEU  60  -3.673  -4.955   5.444
  390   2HD2  LEU  60          2HD2      LEU  60  -4.855  -4.214   6.537
  391   3HD2  LEU  60          3HD2      LEU  60  -5.399  -4.958   5.018
  392    H    THR  61           H        THR  61  -1.270  -2.690   1.853
  393    HA   THR  61           HA       THR  61   0.240  -1.494   3.943
  394    HB   THR  61           HB       THR  61   1.201  -2.191   1.149
  395    HG1  THR  61          1HG       THR  61   0.188  -3.920   2.394
  396   1HG2  THR  61          3HG2      THR  61   2.689  -1.891   3.787
  397   2HG2  THR  61          1HG2      THR  61   3.384  -2.482   2.268
  398   3HG2  THR  61          2HG2      THR  61   2.828  -0.805   2.386
  399    H    ARG  62           H        ARG  62  -0.425  -0.297   0.542
  400    HA   ARG  62           HA       ARG  62   0.939   2.160   1.150
  401   1HB   ARG  62          2HB       ARG  62   0.033   3.177  -0.769
  402   2HB   ARG  62          3HB       ARG  62   0.784   1.620  -1.124
  403   1HG   ARG  62          2HG       ARG  62  -1.255   0.599  -1.627
  404   2HG   ARG  62          3HG       ARG  62  -2.235   1.832  -0.799
  405   1HD   ARG  62          2HD       ARG  62  -1.852   3.471  -2.402
  406   2HD   ARG  62          3HD       ARG  62  -0.481   2.647  -3.135
  407    HE   ARG  62           HE       ARG  62  -3.300   2.298  -3.732
  408   1HH1  ARG  62          1HH2      ARG  62  -0.190   0.633  -3.655
  409   2HH1  ARG  62          2HH2      ARG  62  -0.621  -0.482  -4.941
  410   1HH2  ARG  62          1HH1      ARG  62  -3.781   0.930  -5.544
  411   2HH2  ARG  62          2HH1      ARG  62  -2.515  -0.111  -6.163
  412    H    HIS  63           H        HIS  63  -2.479   1.184   1.563
  413    HA   HIS  63           HA       HIS  63  -3.518   3.738   2.273
  414   1HB   HIS  63          2HB       HIS  63  -4.925   1.775   1.929
  415   2HB   HIS  63          3HB       HIS  63  -4.209   0.958   3.315
  416    HD1  HIS  63           HD1      HIS  63  -6.142   4.279   2.800
  417    HD2  HIS  63           HD2      HIS  63  -5.468   1.199   5.579
  418    HE1  HIS  63           HE1      HIS  63  -7.589   4.800   4.836
  419    H    SER  64           H        SER  64  -1.768   1.292   4.214
  420    HA   SER  64           HA       SER  64  -1.929   2.606   6.699
  421   1HB   SER  64          2HB       SER  64   0.379   0.876   5.745
  422   2HB   SER  64          3HB       SER  64  -0.087   1.246   7.412
  423    HG   SER  64           HG       SER  64  -1.712  -0.139   5.518
  424    H    LEU  65           H        LEU  65  -0.120   3.678   3.876
  425    HA   LEU  65           HA       LEU  65   1.955   5.123   5.202
  426   1HB   LEU  65          2HB       LEU  65   0.414   5.887   2.703
  427   2HB   LEU  65          3HB       LEU  65   1.909   6.631   3.254
  428    HG   LEU  65           HG       LEU  65   1.714   3.701   2.502
  429   1HD1  LEU  65          3HD1      LEU  65   1.230   5.191   0.565
  430   2HD1  LEU  65          1HD1      LEU  65   2.714   6.096   0.918
  431   3HD1  LEU  65          2HD1      LEU  65   2.809   4.403   0.385
  432   1HD2  LEU  65          2HD2      LEU  65   4.115   5.507   2.947
  433   2HD2  LEU  65          3HD2      LEU  65   3.608   4.155   3.991
  434   3HD2  LEU  65          1HD2      LEU  65   4.171   3.840   2.349
  435    H    THR  66           H        THR  66  -1.533   5.751   4.711
  436    HA   THR  66           HA       THR  66  -1.454   8.499   5.548
  437    HB   THR  66           HB       THR  66  -3.834   8.365   5.712
  438    HG1  THR  66          1HG       THR  66  -3.654   5.553   5.407
  439   1HG2  THR  66          2HG2      THR  66  -2.866   8.338   3.405
  440   2HG2  THR  66          3HG2      THR  66  -3.016   6.566   3.373
  441   3HG2  THR  66          1HG2      THR  66  -4.462   7.574   3.511
  442    H    HIS  67           H        HIS  67  -1.661   5.431   7.286
  443    HA   HIS  67           HA       HIS  67  -2.458   6.602   9.835
  444   1HB   HIS  67          2HB       HIS  67  -1.347   3.846   9.127
  445   2HB   HIS  67          3HB       HIS  67  -2.060   4.308  10.668
  446    HD1  HIS  67           HD1      HIS  67  -4.185   5.930   8.212
  447    HD2  HIS  67           HD2      HIS  67  -3.524   1.958   9.429
  448    HE1  HIS  67           HE1      HIS  67  -6.237   4.660   7.560
  449    H    THR  68           H        THR  68   0.499   5.181   8.454
  450    HA   THR  68           HA       THR  68   2.170   5.788  10.736
  451    HB   THR  68           HB       THR  68   4.005   5.192   9.131
  452    HG1  THR  68          1HG       THR  68   1.888   4.647   7.318
  453   1HG2  THR  68          1HG2      THR  68   1.617   3.275   9.170
  454   2HG2  THR  68          2HG2      THR  68   3.300   2.846   8.801
  455   3HG2  THR  68          3HG2      THR  68   2.865   3.424  10.423
  456    H    GLY  69           H        GLY  69   1.169   7.573   7.865
  457   1HA   GLY  69          2HA       GLY  69   1.312   9.826   7.461
  458   2HA   GLY  69          3HA       GLY  69   2.393  10.051   8.848
  459    H    GLU  70           H        GLU  70   3.075   7.473   6.562
  460    HA   GLU  70           HA       GLU  70   5.618   8.742   5.880
  461   1HB   GLU  70          2HB       GLU  70   4.446   6.030   5.267
  462   2HB   GLU  70          3HB       GLU  70   6.066   6.542   4.758
  463   1HG   GLU  70          2HG       GLU  70   5.172   6.569   7.673
  464   2HG   GLU  70          3HG       GLU  70   5.961   5.190   6.904
  465    H    LYS  71           H        LYS  71   3.807  10.351   4.950
  466    HA   LYS  71           HA       LYS  71   3.356  10.058   2.032
  467   1HB   LYS  71          2HB       LYS  71   1.735  11.105   3.570
  468   2HB   LYS  71          3HB       LYS  71   2.959  12.264   4.093
  469   1HG   LYS  71          2HG       LYS  71   2.987  13.263   1.817
  470   2HG   LYS  71          3HG       LYS  71   1.763  12.082   1.300
  471   1HD   LYS  71          2HD       LYS  71   0.218  12.887   3.065
  472   2HD   LYS  71          3HD       LYS  71   1.421  14.068   3.602
  473   1HE   LYS  71          2HE       LYS  71   0.161  13.997   0.823
  474   2HE   LYS  71          3HE       LYS  71  -0.372  15.030   2.161
  475   1HZ   LYS  71          2HZ       LYS  71   1.805  16.036   2.174
  476   2HZ   LYS  71          3HZ       LYS  71   2.264  15.133   0.867
  477   3HZ   LYS  71          1HZ       LYS  71   1.049  16.213   0.717
  478    H    ASN  72           H        ASN  72   5.849   9.525   2.122
  479    HA   ASN  72           HA       ASN  72   7.560  11.952   2.509
  480   1HB   ASN  72          2HB       ASN  72   8.478   9.096   2.190
  481   2HB   ASN  72          3HB       ASN  72   9.371  10.456   2.874
  482   1HD2  ASN  72          1HD2      ASN  72   7.300  10.252   5.974
  483   2HD2  ASN  72          2HD2      ASN  72   7.660  11.523   4.811
  484    H    PHE  73           H        PHE  73   6.133  10.612  -0.198
  485    HA   PHE  73           HA       PHE  73   8.536  10.428  -1.826
  486   1HB   PHE  73          2HB       PHE  73   5.622  10.527  -2.643
  487   2HB   PHE  73          3HB       PHE  73   6.989  10.187  -3.705
  488    HD1  PHE  73           HD2      PHE  73   8.659   8.307  -2.892
  489    HD2  PHE  73           HD1      PHE  73   4.719   8.807  -1.273
  490    HE1  PHE  73           HE2      PHE  73   8.893   6.187  -1.681
  491    HE2  PHE  73           HE1      PHE  73   4.886   6.613  -0.150
  492    HZ   PHE  73           HZ       PHE  73   6.994   5.302  -0.310
  493    H    THR  74           H        THR  74   9.540  12.235  -1.377
  494    HA   THR  74           HA       THR  74   8.568  14.900  -1.825
  495    HB   THR  74           HB       THR  74  11.390  13.869  -1.438
  496    HG1  THR  74          1HG       THR  74   9.916  13.173   0.230
  497   1HG2  THR  74          1HG2      THR  74  10.096  16.568  -0.838
  498   2HG2  THR  74          2HG2      THR  74  11.756  16.098  -0.422
  499   3HG2  THR  74          3HG2      THR  74  11.289  16.244  -2.126
  500    H    CYS  75           H        CYS  75   8.391  15.865  -3.756
  501    HA   CYS  75           HA       CYS  75   9.388  14.869  -6.244
  502   1HB   CYS  75          2HB       CYS  75   7.505  16.297  -6.265
  503   2HB   CYS  75          3HB       CYS  75   8.294  17.516  -5.251
  504    H    ASP  76           H        ASP  76  11.533  14.739  -6.717
  505    HA   ASP  76           HA       ASP  76  13.522  16.343  -5.343
  506   1HB   ASP  76          2HB       ASP  76  13.982  14.051  -5.970
  507   2HB   ASP  76          3HB       ASP  76  13.719  14.420  -7.690
  508    H    SER  77           H        SER  77  12.446  18.378  -5.917
  509    HA   SER  77           HA       SER  77  13.600  19.600  -8.368
  510   1HB   SER  77          2HB       SER  77  11.244  18.810  -8.808
  511   2HB   SER  77          3HB       SER  77  10.696  19.876  -7.491
  512    HG   SER  77           HG       SER  77  10.517  20.749  -9.618
  513    H    ASP  78           H        ASP  78  14.819  21.215  -7.512
  514    HA   ASP  78           HA       ASP  78  14.966  22.001  -4.889
  515   1HB   ASP  78          2HB       ASP  78  15.523  23.708  -7.354
  516   2HB   ASP  78          3HB       ASP  78  16.119  24.040  -5.723
  517    H    GLY  79           H        GLY  79  13.743  23.221  -3.506
  518   1HA   GLY  79          2HA       GLY  79  12.320  24.895  -2.784
  519   2HA   GLY  79          3HA       GLY  79  12.084  25.457  -4.447
  520    H    CYS  80           H        CYS  80  11.153  23.303  -5.780
  521    HA   CYS  80           HA       CYS  80   8.430  22.940  -4.764
  522   1HB   CYS  80          2HB       CYS  80   8.861  23.419  -7.098
  523   2HB   CYS  80          3HB       CYS  80   9.907  22.017  -7.253
  524    H    ASP  81           H        ASP  81   9.992  21.878  -2.854
  525    HA   ASP  81           HA       ASP  81  10.397  18.988  -3.262
  526   1HB   ASP  81          2HB       ASP  81  10.724  20.765  -0.831
  527   2HB   ASP  81          3HB       ASP  81  11.152  19.050  -0.915
  528    H    LEU  82           H        LEU  82   7.889  19.367  -3.925
  529    HA   LEU  82           HA       LEU  82   5.979  19.293  -1.747
  530   1HB   LEU  82          2HB       LEU  82   5.846  18.561  -4.690
  531   2HB   LEU  82          3HB       LEU  82   4.440  18.441  -3.619
  532    HG   LEU  82           HG       LEU  82   5.987  21.009  -4.187
  533   1HD1  LEU  82          2HD1      LEU  82   4.867  20.107  -6.203
  534   2HD1  LEU  82          3HD1      LEU  82   3.335  19.988  -5.311
  535   3HD1  LEU  82          1HD1      LEU  82   4.061  21.578  -5.632
  536   1HD2  LEU  82          3HD2      LEU  82   3.308  20.490  -2.799
  537   2HD2  LEU  82          1HD2      LEU  82   4.779  21.136  -2.034
  538   3HD2  LEU  82          2HD2      LEU  82   3.926  22.090  -3.249
  539    H    ARG  83           H        ARG  83   5.366  17.605  -0.517
  540    HA   ARG  83           HA       ARG  83   6.504  14.910  -1.018
  541   1HB   ARG  83          2HB       ARG  83   5.178  16.264   1.353
  542   2HB   ARG  83          3HB       ARG  83   5.537  14.542   1.286
  543   1HG   ARG  83          2HG       ARG  83   7.916  14.955   0.957
  544   2HG   ARG  83          3HG       ARG  83   7.652  16.707   0.914
  545   1HD   ARG  83          2HD       ARG  83   8.501  15.926   3.099
  546   2HD   ARG  83          3HD       ARG  83   6.894  16.692   3.224
  547    HE   ARG  83           HE       ARG  83   6.417  13.948   2.912
  548   1HH1  ARG  83          1HH1      ARG  83   7.977  15.984   5.342
  549   2HH1  ARG  83          2HH1      ARG  83   7.393  15.034   6.684
  550   1HH2  ARG  83          1HH2      ARG  83   5.604  12.826   4.529
  551   2HH2  ARG  83          2HH2      ARG  83   5.992  13.124   6.217
  552    H    PHE  84           H        PHE  84   5.257  13.276  -1.781
  553    HA   PHE  84           HA       PHE  84   2.295  13.682  -1.868
  554   1HB   PHE  84          2HB       PHE  84   4.071  12.134  -3.775
  555   2HB   PHE  84          3HB       PHE  84   2.324  12.233  -3.839
  556    HD1  PHE  84           HD1      PHE  84   5.399  14.400  -4.016
  557    HD2  PHE  84           HD2      PHE  84   1.250  13.946  -5.156
  558    HE1  PHE  84           HE1      PHE  84   5.511  16.475  -5.303
  559    HE2  PHE  84           HE2      PHE  84   1.460  15.932  -6.595
  560    HZ   PHE  84           HZ       PHE  84   3.482  17.360  -6.437
  561    H    THR  85           H        THR  85   1.001  11.673  -1.969
  562    HA   THR  85           HA       THR  85   1.511   9.965   0.282
  563    HB   THR  85           HB       THR  85  -0.606   8.876  -0.771
  564    HG1  THR  85          1HG       THR  85  -1.506  10.011  -2.489
  565   1HG2  THR  85          3HG2      THR  85  -0.566  10.644   1.062
  566   2HG2  THR  85          1HG2      THR  85  -0.782  11.876  -0.201
  567   3HG2  THR  85          2HG2      THR  85  -2.022  10.627   0.075
  568    H    THR  86           H        THR  86   1.158   9.194  -3.224
  569    HA   THR  86           HA       THR  86   2.813   6.742  -2.752
  570    HB   THR  86           HB       THR  86   1.544   5.989  -4.874
  571    HG1  THR  86          1HG       THR  86  -0.570   7.013  -4.969
  572   1HG2  THR  86          3HG2      THR  86   0.046   6.335  -2.247
  573   2HG2  THR  86          1HG2      THR  86  -0.342   5.175  -3.548
  574   3HG2  THR  86          2HG2      THR  86   1.171   5.022  -2.641
  575    H    LYS  87           H        LYS  87   4.422   6.241  -4.152
  576    HA   LYS  87           HA       LYS  87   6.046   8.148  -5.266
  577   1HB   LYS  87          2HB       LYS  87   5.551   5.254  -6.119
  578   2HB   LYS  87          3HB       LYS  87   6.820   6.265  -6.826
  579   1HG   LYS  87          2HG       LYS  87   7.831   6.622  -4.641
  580   2HG   LYS  87          3HG       LYS  87   6.602   5.582  -3.870
  581   1HD   LYS  87          2HD       LYS  87   7.359   3.706  -5.393
  582   2HD   LYS  87          3HD       LYS  87   8.578   4.804  -6.064
  583   1HE   LYS  87          2HE       LYS  87   9.692   3.429  -4.500
  584   2HE   LYS  87          3HE       LYS  87   9.582   5.030  -3.767
  585   1HZ   LYS  87          1HZ       LYS  87   7.798   2.753  -3.209
  586   2HZ   LYS  87          2HZ       LYS  87   9.028   3.264  -2.244
  587   3HZ   LYS  87          3HZ       LYS  87   7.712   4.233  -2.486
  588    H    ALA  88           H        ALA  88   3.587   6.232  -7.055
  589    HA   ALA  88           HA       ALA  88   4.057   7.411  -9.545
  590   1HB   ALA  88          3HB       ALA  88   2.911   5.368  -9.228
  591   2HB   ALA  88          1HB       ALA  88   1.496   6.187  -8.498
  592   3HB   ALA  88          2HB       ALA  88   1.925   6.472 -10.216
  593    H    ASN  89           H        ASN  89   2.206   8.768  -6.818
  594    HA   ASN  89           HA       ASN  89   0.820  10.717  -8.450
  595   1HB   ASN  89          2HB       ASN  89   0.563   9.865  -5.857
  596   2HB   ASN  89          3HB       ASN  89   1.429  11.383  -5.607
  597   1HD2  ASN  89          1HD2      ASN  89  -2.351  11.822  -5.592
  598   2HD2  ASN  89          2HD2      ASN  89  -1.299  10.670  -4.796
  599    H    MET  90           H        MET  90   3.833  10.566  -6.581
  600    HA   MET  90           HA       MET  90   4.772  13.217  -7.160
  601   1HB   MET  90          2HB       MET  90   5.703  12.175  -5.315
  602   2HB   MET  90          3HB       MET  90   6.074  10.679  -6.141
  603   1HG   MET  90          2HG       MET  90   7.408  13.297  -6.873
  604   2HG   MET  90          3HG       MET  90   7.984  12.304  -5.538
  605   1HE   MET  90          2HE       MET  90   9.070   9.899  -5.742
  606   2HE   MET  90          3HE       MET  90   7.703   9.238  -6.667
  607   3HE   MET  90          1HE       MET  90   9.344   9.090  -7.302
  608    H    LYS  91           H        LYS  91   5.120  10.070  -8.859
  609    HA   LYS  91           HA       LYS  91   6.881  10.996 -10.920
  610   1HB   LYS  91          2HB       LYS  91   4.699   8.882 -11.123
  611   2HB   LYS  91          3HB       LYS  91   5.957   9.157 -12.307
  612   1HG   LYS  91          2HG       LYS  91   6.515   8.282  -9.439
  613   2HG   LYS  91          3HG       LYS  91   6.338   7.210 -10.834
  614   1HD   LYS  91          2HD       LYS  91   8.246   8.542 -11.931
  615   2HD   LYS  91          3HD       LYS  91   8.508   9.280 -10.329
  616   1HE   LYS  91          2HE       LYS  91   8.775   6.999  -9.351
  617   2HE   LYS  91          3HE       LYS  91   8.523   6.280 -10.957
  618   1HZ   LYS  91          2HZ       LYS  91  10.480   7.420 -11.705
  619   2HZ   LYS  91          3HZ       LYS  91  10.724   8.073 -10.211
  620   3HZ   LYS  91          1HZ       LYS  91  10.822   6.441 -10.425
  621    H    LYS  92           H        LYS  92   3.286  10.712 -10.944
  622    HA   LYS  92           HA       LYS  92   2.803  11.948 -13.418
  623   1HB   LYS  92          2HB       LYS  92   1.221  11.956 -10.820
  624   2HB   LYS  92          3HB       LYS  92   0.617  12.722 -12.305
  625   1HG   LYS  92          2HG       LYS  92   0.904  10.525 -13.493
  626   2HG   LYS  92          3HG       LYS  92   1.249   9.766 -11.940
  627   1HD   LYS  92          2HD       LYS  92  -1.343  11.197 -12.746
  628   2HD   LYS  92          3HD       LYS  92  -1.073   9.458 -12.627
  629   1HE   LYS  92          2HE       LYS  92  -2.181   9.894 -10.652
  630   2HE   LYS  92          3HE       LYS  92  -0.495   9.869 -10.134
  631   1HZ   LYS  92          2HZ       LYS  92  -0.589  12.318 -10.285
  632   2HZ   LYS  92          3HZ       LYS  92  -2.189  12.223 -10.658
  633   3HZ   LYS  92          1HZ       LYS  92  -1.648  11.711  -9.190
  634    H    HIS  93           H        HIS  93   3.016  13.545 -10.174
  635    HA   HIS  93           HA       HIS  93   2.722  16.196 -11.126
  636   1HB   HIS  93          2HB       HIS  93   2.627  15.804  -8.789
  637   2HB   HIS  93          3HB       HIS  93   4.231  15.063  -8.757
  638    HD1  HIS  93           HD1      HIS  93   2.701  18.579  -9.374
  639    HD2  HIS  93           HD2      HIS  93   6.351  16.625  -8.645
  640    HE1  HIS  93           HE1      HIS  93   4.449  20.400  -9.057
  641    H    PHE  94           H        PHE  94   5.787  14.395 -10.547
  642    HA   PHE  94           HA       PHE  94   7.528  16.411 -11.391
  643   1HB   PHE  94          2HB       PHE  94   8.153  14.292 -10.225
  644   2HB   PHE  94          3HB       PHE  94   7.896  13.404 -11.721
  645    HD1  PHE  94           HD1      PHE  94   9.463  13.702 -13.651
  646    HD2  PHE  94           HD2      PHE  94  10.109  15.716  -9.886
  647    HE1  PHE  94           HE1      PHE  94  11.730  14.368 -14.391
  648    HE2  PHE  94           HE2      PHE  94  12.386  16.357 -10.626
  649    HZ   PHE  94           HZ       PHE  94  13.189  15.710 -12.886
  650    H    ASN  95           H        ASN  95   5.931  13.872 -13.292
  651    HA   ASN  95           HA       ASN  95   7.095  14.475 -15.809
  652   1HB   ASN  95          2HB       ASN  95   4.584  13.069 -14.904
  653   2HB   ASN  95          3HB       ASN  95   4.781  13.456 -16.610
  654   1HD2  ASN  95          1HD2      ASN  95   6.966  10.437 -14.951
  655   2HD2  ASN  95          2HD2      ASN  95   5.931  11.467 -13.957
  656    H    ARG  96           H        ARG  96   3.892  15.303 -14.595
  657    HA   ARG  96           HA       ARG  96   2.940  17.042 -16.500
  658   1HB   ARG  96          2HB       ARG  96   1.661  15.986 -14.767
  659   2HB   ARG  96          3HB       ARG  96   2.553  16.847 -13.512
  660   1HG   ARG  96          2HG       ARG  96   1.468  18.936 -14.073
  661   2HG   ARG  96          3HG       ARG  96   0.750  18.236 -15.524
  662   1HD   ARG  96          2HD       ARG  96  -0.762  18.429 -13.437
  663   2HD   ARG  96          3HD       ARG  96  -0.759  16.907 -14.329
  664    HE   ARG  96           HE       ARG  96   1.113  16.982 -12.094
  665   1HH1  ARG  96          1HH1      ARG  96  -2.268  16.424 -12.941
  666   2HH1  ARG  96          2HH1      ARG  96  -2.541  15.248 -11.680
  667   1HH2  ARG  96          1HH2      ARG  96   0.773  15.432 -10.446
  668   2HH2  ARG  96          2HH2      ARG  96  -0.777  14.659 -10.262
  669    H    PHE  97           H        PHE  97   4.898  17.944 -13.627
  670    HA   PHE  97           HA       PHE  97   4.814  20.800 -14.406
  671   1HB   PHE  97          2HB       PHE  97   5.678  19.335 -11.907
  672   2HB   PHE  97          3HB       PHE  97   6.027  21.025 -12.189
  673    HD1  PHE  97           HD1      PHE  97   3.038  18.732 -12.265
  674    HD2  PHE  97           HD2      PHE  97   4.610  22.634 -11.322
  675    HE1  PHE  97           HE1      PHE  97   0.822  19.428 -11.412
  676    HE2  PHE  97           HE2      PHE  97   2.467  23.229 -10.245
  677    HZ   PHE  97           HZ       PHE  97   0.588  21.612 -10.227
  678    H    HIS  98           H        HIS  98   7.224  18.161 -14.472
  679    HA   HIS  98           HA       HIS  98   9.290  20.246 -15.138
  680   1HB   HIS  98          2HB       HIS  98   9.781  17.736 -13.522
  681   2HB   HIS  98          3HB       HIS  98  10.910  19.040 -13.884
  682    HD1  HIS  98           HD1      HIS  98   9.042  21.512 -13.097
  683    HD2  HIS  98           HD2      HIS  98   9.251  17.890 -10.990
  684    HE1  HIS  98           HE1      HIS  98   8.132  21.975 -10.762
  685    H    ASN  99           H        ASN  99   8.508  16.730 -15.545
  686    HA   ASN  99           HA       ASN  99  10.683  16.516 -17.422
  687   1HB   ASN  99          2HB       ASN  99   9.496  14.641 -16.035
  688   2HB   ASN  99          3HB       ASN  99   8.442  14.517 -17.464
  689   1HD2  ASN  99          1HD2      ASN  99  11.450  13.675 -19.545
  690   2HD2  ASN  99          2HD2      ASN  99  10.320  15.018 -19.575
  691    H    ILE 100           H        ILE 100   7.125  16.867 -17.920
  692    HA   ILE 100           HA       ILE 100   7.482  16.767 -20.833
  693    HB   ILE 100           HB       ILE 100   5.171  17.148 -21.049
  694   1HG1  ILE 100          2HG1      ILE 100   3.875  17.225 -18.666
  695   2HG1  ILE 100          3HG1      ILE 100   5.267  18.232 -18.262
  696   1HG2  ILE 100          1HG2      ILE 100   5.948  14.901 -20.421
  697   2HG2  ILE 100          2HG2      ILE 100   5.620  15.254 -18.714
  698   3HG2  ILE 100          3HG2      ILE 100   4.292  15.223 -19.887
  699   1HD1  ILE 100          2HD1      ILE 100   4.739  19.660 -20.273
  700   2HD1  ILE 100          3HD1      ILE 100   3.333  18.623 -20.589
  701   3HD1  ILE 100          1HD1      ILE 100   3.408  19.583 -19.102
  702    H    LYS 101           H        LYS 101   7.329  19.239 -18.317
  703    HA   LYS 101           HA       LYS 101   7.135  21.498 -20.131
  704   1HB   LYS 101          2HB       LYS 101   8.178  21.291 -17.272
  705   2HB   LYS 101          3HB       LYS 101   7.837  22.797 -18.126
  706   1HG   LYS 101          2HG       LYS 101   5.757  20.671 -17.406
  707   2HG   LYS 101          3HG       LYS 101   6.062  22.185 -16.548
  708   1HD   LYS 101          2HD       LYS 101   5.492  23.464 -18.627
  709   2HD   LYS 101          3HD       LYS 101   5.028  21.932 -19.400
  710   1HE   LYS 101          2HE       LYS 101   3.366  21.532 -17.579
  711   2HE   LYS 101          3HE       LYS 101   3.804  23.085 -16.849
  712   1HZ   LYS 101          1HZ       LYS 101   2.671  22.710 -19.532
  713   2HZ   LYS 101          2HZ       LYS 101   1.863  23.255 -18.203
  714   3HZ   LYS 101          3HZ       LYS 101   3.077  24.159 -18.857
  715   1H5*    T   1          1H5*        T   1  -7.057  23.095 -16.452
  716   2H5*    T   1          2H5*        T   1  -5.506  22.412 -16.998
  717    H4*    T   1           H4*        T   1  -5.726  22.902 -14.468
  718    H3*    T   1           H3*        T   1  -4.700  20.428 -15.720
  719   1H2*    T   1          1H2*        T   1  -5.876  19.068 -14.326
  720   2H2*    T   1          2H2*        T   1  -4.808  19.606 -13.006
  721    H1*    T   1           H1*        T   1  -6.267  21.423 -12.430
  722    H3     T   1           H3         T   1  -9.331  19.302  -9.808
  723   1H5M    T   1          1H5M        T   1 -10.967  16.796 -13.385
  724   2H5M    T   1          2H5M        T   1 -11.146  18.216 -14.435
  725   3H5M    T   1          3H5M        T   1  -9.791  17.086 -14.677
  726    H6     T   1           H6         T   1  -8.272  19.035 -14.484
  727    H5T    T   1           H5T        T   1  -7.710  20.859 -16.171
  728   1H5*    T   2          1H5*        T   2  -3.082  21.894 -11.637
  729   2H5*    T   2          2H5*        T   2  -1.370  21.503 -11.406
  730    H4*    T   2           H4*        T   2  -2.756  21.031  -9.399
  731    H3*    T   2           H3*        T   2  -1.351  18.742 -10.756
  732   1H2*    T   2          1H2*        T   2  -2.854  17.255  -9.985
  733   2H2*    T   2          2H2*        T   2  -2.603  17.800  -8.301
  734    H1*    T   2           H1*        T   2  -4.300  19.363  -8.383
  735    H3     T   2           H3         T   2  -8.136  16.881  -8.357
  736   1H5M    T   2          1H5M        T   2  -6.205  16.794 -13.385
  737   2H5M    T   2          2H5M        T   2  -6.185  15.155 -12.692
  738   3H5M    T   2          3H5M        T   2  -7.723  16.002 -12.930
  739    H6     T   2           H6         T   2  -4.686  17.584 -11.625
  740   1H5*    G   3          1H5*        G   3  -0.999  19.305  -5.983
  741   2H5*    G   3          2H5*        G   3   0.458  18.497  -5.373
  742    H4*    G   3           H4*        G   3  -1.658  18.035  -4.120
  743    H3*    G   3           H3*        G   3   0.312  16.204  -4.475
  744   1H2*    G   3          1H2*        G   3  -0.760  15.233  -6.476
  745   2H2*    G   3          2H2*        G   3  -1.323  14.125  -5.189
  746    H1*    G   3           H1*        G   3  -3.276  15.495  -4.788
  747    H8     G   3           H8         G   3  -1.999  14.894  -8.417
  748    H1     G   3           H1         G   3  -8.237  13.816  -7.373
  749   1H2     G   3           H21        G   3  -8.627  14.136  -5.106
  750   2H2     G   3           H22        G   3  -7.395  14.878  -4.114
  751   1H5*    G   4          1H5*        G   4  -2.780  16.124  -0.983
  752   2H5*    G   4          2H5*        G   4  -2.023  15.317   0.408
  753    H4*    G   4           H4*        G   4  -4.471  15.190   0.538
  754    H3*    G   4           H3*        G   4  -2.774  13.014   0.858
  755   1H2*    G   4          1H2*        G   4  -3.109  12.107  -1.288
  756   2H2*    G   4          2H2*        G   4  -4.449  11.273  -0.460
  757    H1*    G   4           H1*        G   4  -6.043  12.846  -1.222
  758    H8     G   4           H8         G   4  -2.877  13.362  -3.453
  759    H1     G   4           H1         G   4  -7.722  10.471  -6.469
  760   1H2     G   4           H21        G   4  -9.229   9.757  -4.876
  761   2H2     G   4           H22        G   4  -9.137  10.389  -3.241
  762   1H5*    A   5          1H5*        A   5  -7.103  11.488   1.099
  763   2H5*    A   5          2H5*        A   5  -7.300  10.262   2.370
  764    H4*    A   5           H4*        A   5  -8.237   9.483   0.245
  765    H3*    A   5           H3*        A   5  -6.204   7.975   1.668
  766   1H2*    A   5          1H2*        A   5  -4.696   8.186  -0.090
  767   2H2*    A   5          2H2*        A   5  -5.559   6.750  -0.703
  768    H1*    A   5           H1*        A   5  -7.144   8.178  -1.915
  769    H8     A   5           H8         A   5  -3.526   9.652  -1.632
  770   1H6     A   5           H61        A   5  -3.483   9.039  -7.804
  771   2H6     A   5           H62        A   5  -2.566   9.616  -6.413
  772    H2     A   5           H2         A   5  -7.256   7.321  -6.282
  773   1H5*    T   6          1H5*        T   6  -9.276   6.095  -1.454
  774   2H5*    T   6          2H5*        T   6  -9.791   4.543  -0.759
  775    H4*    T   6           H4*        T   6  -9.764   4.449  -3.229
  776    H3*    T   6           H3*        T   6  -8.405   2.604  -1.514
  777   1H2*    T   6          1H2*        T   6  -6.297   3.183  -2.241
  778   2H2*    T   6          2H2*        T   6  -6.632   2.014  -3.536
  779    H1*    T   6           H1*        T   6  -7.616   3.740  -4.945
  780    H3     T   6           H3         T   6  -3.851   5.218  -7.016
  781   1H5M    T   6          1H5M        T   6  -2.269   5.558  -2.121
  782   2H5M    T   6          2H5M        T   6  -2.201   7.067  -3.045
  783   3H5M    T   6          3H5M        T   6  -3.509   6.772  -1.888
  784    H6     T   6           H6         T   6  -5.289   5.148  -2.429
  785   1H5*    G   7          1H5*        G   7 -10.925   1.282  -5.392
  786   2H5*    G   7          2H5*        G   7 -11.465  -0.382  -5.075
  787    H4*    G   7           H4*        G   7 -11.302   0.045  -7.496
  788    H3*    G   7           H3*        G   7 -10.156  -2.194  -6.273
  789   1H2*    G   7          1H2*        G   7  -7.982  -1.368  -6.184
  790   2H2*    G   7          2H2*        G   7  -7.897  -2.166  -7.761
  791    H1*    G   7           H1*        G   7  -8.339  -0.151  -8.953
  792    H8     G   7           H8         G   7  -7.116   0.675  -5.335
  793    H1     G   7           H1         G   7  -2.986   2.319  -9.958
  794   1H2     G   7           H21        G   7  -3.857   1.785 -11.992
  795   2H2     G   7           H22        G   7  -5.425   1.007 -12.092
  796   1H5*    G   8          1H5*        G   8  -9.347  -1.783 -10.927
  797   2H5*    G   8          2H5*        G   8  -9.826  -3.348 -11.604
  798    H4*    G   8           H4*        G   8  -7.951  -2.532 -12.875
  799    H3*    G   8           H3*        G   8  -7.841  -5.052 -11.522
  800   1H2*    G   8          1H2*        G   8  -6.263  -4.323  -9.986
  801   2H2*    G   8          2H2*        G   8  -5.115  -4.843 -11.233
  802    H1*    G   8           H1*        G   8  -5.039  -2.598 -12.201
  803    H8     G   8           H8         G   8  -5.923  -2.668  -8.411
  804    H1     G   8           H1         G   8  -0.284   0.104  -9.679
  805   1H2     G   8           H21        G   8   0.127  -0.035 -11.943
  806   2H2     G   8           H22        G   8  -1.100  -0.672 -13.027
  807   1H5*    G   9          1H5*        G   9  -4.523  -3.764 -14.686
  808   2H5*    G   9          2H5*        G   9  -4.382  -5.170 -15.759
  809    H4*    G   9           H4*        G   9  -2.237  -4.133 -15.668
  810    H3*    G   9           H3*        G   9  -2.596  -6.847 -14.972
  811   1H2*    G   9          1H2*        G   9  -2.371  -6.350 -12.637
  812   2H2*    G   9          2H2*        G   9  -0.710  -6.822 -13.062
  813    H1*    G   9           H1*        G   9  -0.133  -4.490 -13.538
  814    H8     G   9           H8         G   9  -2.772  -4.978 -10.691
  815    H1     G   9           H1         G   9   2.549  -1.890  -8.860
  816   1H2     G   9           H21        G   9   4.006  -1.777 -10.649
  817   2H2     G   9           H22        G   9   3.504  -2.335 -12.240
  818   1H5*    A  10          1H5*        A  10   1.695  -4.850 -15.614
  819   2H5*    A  10          2H5*        A  10   2.601  -6.021 -16.591
  820    H4*    A  10           H4*        A  10   4.106  -4.666 -15.231
  821    H3*    A  10           H3*        A  10   4.073  -7.566 -15.172
  822   1H2*    A  10          1H2*        A  10   3.676  -7.662 -12.895
  823   2H2*    A  10          2H2*        A  10   5.423  -7.357 -12.750
  824    H1*    A  10           H1*        A  10   5.068  -4.965 -12.556
  825    H8     A  10           H8         A  10   1.743  -6.702 -11.596
  826   1H6     A  10           H61        A  10   2.600  -4.478  -5.927
  827   2H6     A  10           H62        A  10   1.560  -5.342  -7.030
  828    H2     A  10           H2         A  10   6.260  -3.516  -8.380
  829   1H5*    G  11          1H5*        G  11   7.655  -5.101 -13.730
  830   2H5*    G  11          2H5*        G  11   9.218  -5.794 -14.207
  831    H4*    G  11           H4*        G  11   9.260  -4.889 -11.915
  832    H3*    G  11           H3*        G  11  10.129  -7.537 -12.602
  833   1H2*    G  11          1H2*        G  11   8.348  -8.522 -11.341
  834   2H2*    G  11          2H2*        G  11   9.565  -8.380 -10.039
  835    H1*    G  11           H1*        G  11   8.736  -6.122  -9.495
  836    H8     G  11           H8         G  11   5.870  -8.508 -10.741
  837    H1     G  11           H1         G  11   5.377  -6.488  -4.664
  838   1H2     G  11           H21        G  11   7.393  -5.459  -4.104
  839   2H2     G  11           H22        G  11   8.537  -5.051  -5.367
  840   1H5*    A  12          1H5*        A  12  12.250  -4.671  -9.424
  841   2H5*    A  12          2H5*        A  12  13.979  -5.056  -9.531
  842    H4*    A  12           H4*        A  12  13.378  -4.102  -7.342
  843    H3*    A  12           H3*        A  12  14.966  -6.348  -7.644
  844   1H2*    A  12          1H2*        A  12  13.248  -7.927  -7.241
  845   2H2*    A  12          2H2*        A  12  13.842  -7.748  -5.580
  846    H1*    A  12           H1*        A  12  12.161  -6.144  -5.026
  847    H8     A  12           H8         A  12  11.008  -8.147  -8.188
  848   1H6     A  12           H61        A  12   6.166  -9.884  -4.865
  849   2H6     A  12           H62        A  12   7.069 -10.030  -6.369
  850    H2     A  12           H2         A  12   8.819  -7.423  -2.197
  851   1H5*    C  13          1H5*        C  13  14.058  -5.472  -3.166
  852   2H5*    C  13          2H5*        C  13  15.445  -5.807  -2.107
  853    H4*    C  13           H4*        C  13  13.331  -6.817  -1.288
  854    H3*    C  13           H3*        C  13  15.666  -8.564  -1.988
  855   1H2*    C  13          1H2*        C  13  14.312 -10.290  -2.546
  856   2H2*    C  13          2H2*        C  13  13.605 -10.266  -0.905
  857    H1*    C  13           H1*        C  13  11.907  -8.764  -1.478
  858   1H4     C  13           H41        C  13   9.687 -12.127  -6.785
  859   2H4     C  13           H42        C  13   8.539 -12.346  -5.479
  860    H5     C  13           H5         C  13  11.887 -11.036  -6.423
  861    H6     C  13           H6         C  13  13.201  -9.788  -4.821
  862   1H5*    C  14          1H5*        C  14  13.156  -9.307   1.805
  863   2H5*    C  14          2H5*        C  14  14.064 -10.057   3.133
  864    H4*    C  14           H4*        C  14  11.848 -11.140   2.659
  865    H3*    C  14           H3*        C  14  14.393 -12.645   2.700
  866   1H2*    C  14          1H2*        C  14  13.852 -13.857   0.862
  867   2H2*    C  14          2H2*        C  14  12.565 -14.625   1.815
  868    H1*    C  14           H1*        C  14  10.912 -13.072   1.142
  869   1H4     C  14           H41        C  14  12.542 -13.937  -5.322
  870   2H4     C  14           H42        C  14  10.929 -14.587  -5.090
  871    H5     C  14           H5         C  14  13.839 -12.969  -3.465
  872    H6     C  14           H6         C  14  13.783 -12.477  -1.071
  873   1H5*    G  15          1H5*        G  15  10.543 -14.829   3.785
  874   2H5*    G  15          2H5*        G  15  10.749 -16.039   5.067
  875    H4*    G  15           H4*        G  15   9.513 -16.977   3.177
  876    H3*    G  15           H3*        G  15  12.136 -18.159   3.941
  877   1H2*    G  15          1H2*        G  15  12.782 -18.312   1.748
  878   2H2*    G  15          2H2*        G  15  11.585 -19.636   1.623
  879    H1*    G  15           H1*        G  15   9.850 -18.088   0.942
  880    H8     G  15           H8         G  15  13.403 -16.741  -0.016
  881    H1     G  15           H1         G  15   9.537 -18.036  -4.986
  882   1H2     G  15           H21        G  15   7.559 -18.902  -4.171
  883   2H2     G  15           H22        G  15   7.285 -18.989  -2.444
  884    H3T    G  15           H3T        G  15  10.123 -18.959   4.646
  885   1H5*    C  16          1H5*        C  16   5.644 -22.558 -11.191
  886   2H5*    C  16          2H5*        C  16   4.011 -21.951 -11.538
  887    H4*    C  16           H4*        C  16   4.710 -21.790  -9.097
  888    H3*    C  16           H3*        C  16   3.777 -19.439 -10.690
  889   1H2*    C  16          1H2*        C  16   5.122 -18.020  -9.586
  890   2H2*    C  16          2H2*        C  16   4.285 -18.421  -8.056
  891    H1*    C  16           H1*        C  16   5.765 -20.201  -7.563
  892   1H4     C  16           H41        C  16  11.198 -16.336  -8.263
  893   2H4     C  16           H42        C  16  11.058 -16.758  -6.567
  894    H5     C  16           H5         C  16   9.512 -17.001  -9.921
  895    H6     C  16           H6         C  16   7.486 -18.269 -10.252
  896    H5T    C  16           H5T        C  16   6.363 -20.397 -11.698
  897   1H5*    G  17          1H5*        G  17   2.340 -20.306  -6.300
  898   2H5*    G  17          2H5*        G  17   0.663 -19.764  -6.108
  899    H4*    G  17           H4*        G  17   1.978 -19.286  -4.100
  900    H3*    G  17           H3*        G  17   0.420 -17.305  -5.382
  901   1H2*    G  17          1H2*        G  17   2.344 -16.233  -6.270
  902   2H2*    G  17          2H2*        G  17   2.159 -15.303  -4.763
  903    H1*    G  17           H1*        G  17   3.590 -16.901  -3.554
  904    H8     G  17           H8         G  17   4.481 -16.264  -7.292
  905    H1     G  17           H1         G  17   9.163 -14.936  -3.107
  906   1H2     G  17           H21        G  17   8.340 -15.306  -0.962
  907   2H2     G  17           H22        G  17   6.698 -15.871  -0.739
  908   1H5*    G  18          1H5*        G  18   1.376 -17.285  -0.719
  909   2H5*    G  18          2H5*        G  18  -0.061 -16.604   0.071
  910    H4*    G  18           H4*        G  18   1.975 -16.275   1.425
  911    H3*    G  18           H3*        G  18   0.125 -14.274   0.928
  912   1H2*    G  18          1H2*        G  18   1.315 -13.265  -0.834
  913   2H2*    G  18          2H2*        G  18   1.966 -12.304   0.510
  914    H1*    G  18           H1*        G  18   3.909 -13.670   0.700
  915    H8     G  18           H8         G  18   2.310 -14.085  -2.846
  916    H1     G  18           H1         G  18   8.309 -11.812  -2.899
  917   1H2     G  18           H21        G  18   8.935 -11.377  -0.710
  918   2H2     G  18           H22        G  18   7.926 -11.921   0.616
  919   1H5*    T  19          1H5*        T  19   3.894 -12.981   3.593
  920   2H5*    T  19          2H5*        T  19   3.289 -11.962   4.915
  921    H4*    T  19           H4*        T  19   5.471 -11.183   4.080
  922    H3*    T  19           H3*        T  19   3.160  -9.486   4.330
  923   1H2*    T  19          1H2*        T  19   3.082  -9.052   2.057
  924   2H2*    T  19          2H2*        T  19   4.286  -7.816   2.440
  925    H1*    T  19           H1*        T  19   6.133  -9.383   2.046
  926    H3     T  19           H3         T  19   6.634  -9.012  -2.518
  927   1H5M    T  19          1H5M        T  19   2.416 -10.943  -3.214
  928   2H5M    T  19          2H5M        T  19   1.731 -11.107  -1.586
  929   3H5M    T  19          3H5M        T  19   1.703  -9.532  -2.392
  930    H6     T  19           H6         T  19   3.013 -10.360   0.325
  931   1H5*    C  20          1H5*        C  20   7.201  -7.506   3.669
  932   2H5*    C  20          2H5*        C  20   7.431  -5.919   4.431
  933    H4*    C  20           H4*        C  20   8.066  -6.019   2.020
  934    H3*    C  20           H3*        C  20   6.054  -4.050   3.019
  935   1H2*    C  20          1H2*        C  20   4.833  -4.242   1.111
  936   2H2*    C  20          2H2*        C  20   6.196  -3.519   0.220
  937    H1*    C  20           H1*        C  20   7.193  -5.659  -0.189
  938   1H4     C  20           H41        C  20   1.525  -7.332  -3.410
  939   2H4     C  20           H42        C  20   2.826  -7.135  -4.575
  940    H5     C  20           H5         C  20   1.956  -7.041  -0.956
  941    H6     C  20           H6         C  20   3.637  -6.440   0.670
  942   1H5*    T  21          1H5*        T  21   9.657  -3.415   0.141
  943   2H5*    T  21          2H5*        T  21  10.341  -1.782   0.258
  944    H4*    T  21           H4*        T  21  10.451  -2.813  -2.024
  945    H3*    T  21           H3*        T  21   9.591  -0.124  -1.456
  946   1H2*    T  21          1H2*        T  21   7.436  -0.467  -2.208
  947   2H2*    T  21          2H2*        T  21   8.160  -0.140  -3.805
  948    H1*    T  21           H1*        T  21   8.595  -2.501  -4.172
  949    H3     T  21           H3         T  21   4.572  -3.653  -5.887
  950   1H5M    T  21          1H5M        T  21   2.470  -2.358  -1.796
  951   2H5M    T  21          2H5M        T  21   3.114  -3.886  -1.193
  952   3H5M    T  21          3H5M        T  21   3.810  -2.350  -0.638
  953    H6     T  21           H6         T  21   5.981  -2.185  -1.544
  954   1H5*    C  22          1H5*        C  22  10.597  -0.919  -6.095
  955   2H5*    C  22          2H5*        C  22  11.321   0.571  -6.732
  956    H4*    C  22           H4*        C  22   9.609  -0.279  -8.239
  957    H3*    C  22           H3*        C  22   9.120   2.358  -6.904
  958   1H2*    C  22          1H2*        C  22   6.895   2.039  -6.933
  959   2H2*    C  22          2H2*        C  22   6.911   1.951  -8.701
  960    H1*    C  22           H1*        C  22   7.236  -0.404  -8.717
  961   1H4     C  22           H41        C  22   1.841  -0.957  -4.759
  962   2H4     C  22           H42        C  22   1.371  -1.550  -6.327
  963    H5     C  22           H5         C  22   4.057  -0.027  -4.290
  964    H6     C  22           H6         C  22   6.244   0.403  -5.228
  965   1H5*    C  23          1H5*        C  23   8.250   1.684 -11.370
  966   2H5*    C  23          2H5*        C  23   8.222   3.169 -12.348
  967    H4*    C  23           H4*        C  23   6.263   1.741 -12.749
  968    H3*    C  23           H3*        C  23   5.711   4.382 -11.380
  969   1H2*    C  23          1H2*        C  23   3.552   3.795 -11.149
  970   2H2*    C  23          2H2*        C  23   3.472   2.923 -12.715
  971    H1*    C  23           H1*        C  23   4.073   0.931 -11.875
  972   1H4     C  23           H41        C  23   0.809   1.917  -6.068
  973   2H4     C  23           H42        C  23  -0.247   1.028  -7.136
  974    H5     C  23           H5         C  23   3.051   2.694  -6.820
  975    H6     C  23           H6         C  23   4.581   2.743  -8.698
  976   1H5*    C  24          1H5*        C  24   3.795   2.890 -15.184
  977   2H5*    C  24          2H5*        C  24   3.675   4.198 -16.374
  978    H4*    C  24           H4*        C  24   1.768   2.703 -16.559
  979    H3*    C  24           H3*        C  24   1.568   5.522 -16.266
  980   1H2*    C  24          1H2*        C  24   0.640   5.453 -14.160
  981   2H2*    C  24          2H2*        C  24  -0.875   5.297 -15.058
  982    H1*    C  24           H1*        C  24  -0.849   2.876 -14.868
  983   1H4     C  24           H41        C  24  -0.065   4.053  -8.282
  984   2H4     C  24           H42        C  24  -1.722   3.563  -8.454
  985    H5     C  24           H5         C  24   1.483   4.097 -10.104
  986    H6     C  24           H6         C  24   1.670   4.139 -12.502
  987   1H5*    A  25          1H5*        A  25  -2.267   3.355 -16.947
  988   2H5*    A  25          2H5*        A  25  -3.390   4.090 -18.110
  989    H4*    A  25           H4*        A  25  -4.479   3.448 -15.959
  990    H3*    A  25           H3*        A  25  -4.488   6.250 -16.989
  991   1H2*    A  25          1H2*        A  25  -4.278   7.138 -14.916
  992   2H2*    A  25          2H2*        A  25  -5.876   6.464 -14.512
  993    H1*    A  25           H1*        A  25  -4.949   4.486 -13.612
  994    H8     A  25           H8         A  25  -1.911   6.960 -13.713
  995   1H6     A  25           H61        A  25  -2.077   6.635  -7.525
  996   2H6     A  25           H62        A  25  -1.252   7.293  -8.940
  997    H2     A  25           H2         A  25  -5.508   4.274  -9.142
  998   1H5*    T  26          1H5*        T  26  -7.825   3.893 -15.040
  999   2H5*    T  26          2H5*        T  26  -9.488   4.325 -15.492
 1000    H4*    T  26           H4*        T  26  -9.175   3.899 -13.031
 1001    H3*    T  26           H3*        T  26 -10.144   6.537 -14.087
 1002   1H2*    T  26          1H2*        T  26  -9.379   7.671 -12.311
 1003   2H2*    T  26          2H2*        T  26 -10.238   6.589 -11.181
 1004    H1*    T  26           H1*        T  26  -8.471   5.142 -10.908
 1005    H3     T  26           H3         T  26  -5.876   7.819  -8.252
 1006   1H5M    T  26          1H5M        T  26  -3.772   9.089 -12.465
 1007   2H5M    T  26          2H5M        T  26  -5.245   9.431 -13.400
 1008   3H5M    T  26          3H5M        T  26  -4.805  10.457 -12.020
 1009    H6     T  26           H6         T  26  -6.821   7.725 -12.948
 1010   1H5*    C  27          1H5*        C  27 -11.938   4.412 -10.514
 1011   2H5*    C  27          2H5*        C  27 -13.702   4.575 -10.393
 1012    H4*    C  27           H4*        C  27 -12.558   4.776  -8.199
 1013    H3*    C  27           H3*        C  27 -14.534   6.569  -9.177
 1014   1H2*    C  27          1H2*        C  27 -13.043   8.340  -9.474
 1015   2H2*    C  27          2H2*        C  27 -13.421   8.658  -7.770
 1016    H1*    C  27           H1*        C  27 -11.567   7.299  -7.009
 1017   1H4     C  27           H41        C  27  -7.300  11.262 -10.406
 1018   2H4     C  27           H42        C  27  -6.718  11.103  -8.771
 1019    H5     C  27           H5         C  27  -9.286   9.999 -11.204
 1020    H6     C  27           H6         C  27 -11.106   8.591 -10.504
 1021   1H5*    C  28          1H5*        C  28 -13.197   7.326  -4.823
 1022   2H5*    C  28          2H5*        C  28 -14.544   7.814  -3.773
 1023    H4*    C  28           H4*        C  28 -12.604   9.304  -3.512
 1024    H3*    C  28           H3*        C  28 -15.107  10.472  -4.739
 1025   1H2*    C  28          1H2*        C  28 -13.960  12.222  -5.572
 1026   2H2*    C  28          2H2*        C  28 -13.139  12.526  -4.014
 1027    H1*    C  28           H1*        C  28 -11.368  11.164  -4.440
 1028   1H4     C  28           H41        C  28 -10.121  12.990 -10.728
 1029   2H4     C  28           H42        C  28  -8.871  13.689  -9.724
 1030    H5     C  28           H5         C  28 -12.077  11.797  -9.791
 1031    H6     C  28           H6         C  28 -13.069  10.983  -7.723
 1032   1H5*    A  29          1H5*        A  29 -12.886  12.293  -1.201
 1033   2H5*    A  29          2H5*        A  29 -13.964  13.089  -0.036
 1034    H4*    A  29           H4*        A  29 -11.878  14.373  -0.478
 1035    H3*    A  29           H3*        A  29 -14.539  15.472  -0.583
 1036   1H2*    A  29          1H2*        A  29 -14.402  16.038  -2.815
 1037   2H2*    A  29          2H2*        A  29 -13.535  17.474  -2.220
 1038    H1*    A  29           H1*        A  29 -11.385  16.395  -2.500
 1039    H8     A  29           H8         A  29 -14.208  15.116  -4.891
 1040   1H6     A  29           H61        A  29 -10.234  16.101  -9.490
 1041   2H6     A  29           H62        A  29 -11.842  15.580  -9.006
 1042    H2     A  29           H2         A  29  -8.248  17.368  -5.662
 1043   1H5*    A  30          1H5*        A  30 -10.651  18.200   0.370
 1044   2H5*    A  30          2H5*        A  30 -11.152  19.686   1.204
 1045    H4*    A  30           H4*        A  30  -9.415  20.149  -0.489
 1046    H3*    A  30           H3*        A  30 -12.185  21.193  -1.244
 1047   1H2*    A  30          1H2*        A  30 -11.174  22.165  -3.135
 1048   2H2*    A  30          2H2*        A  30  -9.564  22.192  -2.363
 1049    H1*    A  30           H1*        A  30  -9.051  20.196  -3.261
 1050    H8     A  30           H8         A  30 -12.831  19.337  -3.505
 1051   1H6     A  30           H61        A  30 -11.786  18.692  -9.536
 1052   2H6     A  30           H62        A  30 -12.964  18.615  -8.227
 1053    H2     A  30           H2         A  30  -8.085  20.415  -7.694
 1054    H3T    A  30           H3T        A  30 -11.253  23.112  -0.426
   
  No H/Q in entry =        1054
  Start of MODEL   20
    1    H    MET   1           H        MET   1   5.386 -20.240 -12.748
    2    HA   MET   1           HA       MET   1   4.496 -18.839 -15.213
    3   1HB   MET   1          2HB       MET   1   4.668 -21.110 -16.304
    4   2HB   MET   1          3HB       MET   1   6.171 -20.324 -15.821
    5   1HG   MET   1          2HG       MET   1   6.296 -22.674 -15.371
    6   2HG   MET   1          3HG       MET   1   6.374 -21.775 -13.865
    7   1HE   MET   1          2HE       MET   1   6.067 -23.971 -12.499
    8   2HE   MET   1          3HE       MET   1   4.762 -25.147 -12.780
    9   3HE   MET   1          1HE       MET   1   6.021 -24.906 -14.014
   10    H    LYS  11           H        LYS  11   3.317 -20.693 -12.536
   11    HA   LYS  11           HA       LYS  11   0.755 -21.373 -13.792
   12   1HB   LYS  11          2HB       LYS  11   1.744 -22.750 -11.982
   13   2HB   LYS  11          3HB       LYS  11   1.652 -21.354 -10.885
   14   1HG   LYS  11          2HG       LYS  11  -0.802 -21.371 -11.000
   15   2HG   LYS  11          3HG       LYS  11  -0.756 -22.630 -12.241
   16   1HD   LYS  11          2HD       LYS  11  -1.315 -23.610 -10.081
   17   2HD   LYS  11          3HD       LYS  11   0.234 -24.225 -10.661
   18   1HE   LYS  11          2HE       LYS  11   0.290 -23.757  -8.246
   19   2HE   LYS  11          3HE       LYS  11   1.448 -22.733  -9.098
   20   1HZ   LYS  11          2HZ       LYS  11  -1.237 -21.893  -8.244
   21   2HZ   LYS  11          3HZ       LYS  11   0.171 -21.553  -7.457
   22   3HZ   LYS  11          1HZ       LYS  11  -0.095 -20.934  -8.954
   23    H    ARG  12           H        ARG  12  -1.170 -20.099 -13.577
   24    HA   ARG  12           HA       ARG  12  -0.992 -17.614 -11.985
   25   1HB   ARG  12          2HB       ARG  12  -1.804 -17.859 -14.895
   26   2HB   ARG  12          3HB       ARG  12  -2.474 -16.630 -13.822
   27   1HG   ARG  12          2HG       ARG  12  -0.743 -15.466 -14.780
   28   2HG   ARG  12          3HG       ARG  12  -0.060 -15.989 -13.233
   29   1HD   ARG  12          2HD       ARG  12   0.971 -17.929 -14.454
   30   2HD   ARG  12          3HD       ARG  12   0.425 -17.228 -15.962
   31    HE   ARG  12           HE       ARG  12   1.980 -15.504 -15.779
   32   1HH1  ARG  12          1HH1      ARG  12   2.137 -17.497 -12.798
   33   2HH1  ARG  12          2HH1      ARG  12   3.795 -17.093 -12.505
   34   1HH2  ARG  12          1HH2      ARG  12   4.095 -14.906 -15.269
   35   2HH2  ARG  12          2HH2      ARG  12   4.890 -15.541 -13.852
   36    H    TYR  13           H        TYR  13  -2.952 -17.123 -10.974
   37    HA   TYR  13           HA       TYR  13  -4.984 -19.260 -10.845
   38   1HB   TYR  13          2HB       TYR  13  -4.983 -16.491  -9.586
   39   2HB   TYR  13          3HB       TYR  13  -6.012 -17.871  -9.169
   40    HD1  TYR  13           HD2      TYR  13  -5.078 -19.809  -7.915
   41    HD2  TYR  13           HD1      TYR  13  -2.811 -16.213  -8.641
   42    HE1  TYR  13           HE2      TYR  13  -3.739 -20.243  -5.882
   43    HE2  TYR  13           HE1      TYR  13  -1.493 -16.636  -6.617
   44    HH   TYR  13           HH       TYR  13  -2.157 -19.402  -4.427
   45    H    ILE  14           H        ILE  14  -6.839 -19.160 -12.132
   46    HA   ILE  14           HA       ILE  14  -7.155 -16.804 -13.914
   47    HB   ILE  14           HB       ILE  14  -8.215 -19.608 -14.302
   48   1HG1  ILE  14          2HG1      ILE  14  -5.606 -18.296 -15.167
   49   2HG1  ILE  14          3HG1      ILE  14  -5.821 -19.799 -14.262
   50   1HG2  ILE  14          1HG2      ILE  14  -9.393 -17.759 -15.527
   51   2HG2  ILE  14          2HG2      ILE  14  -7.836 -17.272 -16.229
   52   3HG2  ILE  14          3HG2      ILE  14  -8.556 -18.853 -16.612
   53   1HD1  ILE  14          3HD1      ILE  14  -6.900 -20.803 -16.308
   54   2HD1  ILE  14          1HD1      ILE  14  -6.404 -19.338 -17.202
   55   3HD1  ILE  14          2HD1      ILE  14  -5.182 -20.384 -16.472
   56    H    CYS  15           H        CYS  15  -8.905 -15.555 -13.859
   57    HA   CYS  15           HA       CYS  15 -10.806 -15.638 -11.792
   58   1HB   CYS  15          2HB       CYS  15 -10.300 -13.622 -13.034
   59   2HB   CYS  15          3HB       CYS  15 -10.857 -14.372 -14.537
   60    H    SER  16           H        SER  16 -12.688 -16.673 -11.476
   61    HA   SER  16           HA       SER  16 -13.402 -18.933 -13.009
   62   1HB   SER  16          2HB       SER  16 -15.324 -18.861 -11.275
   63   2HB   SER  16          3HB       SER  16 -13.663 -18.957 -10.656
   64    HG   SER  16           HG       SER  16 -14.883 -17.290  -9.611
   65    H    PHE  17           H        PHE  17 -15.383 -16.218 -12.071
   66    HA   PHE  17           HA       PHE  17 -17.697 -16.248 -13.142
   67   1HB   PHE  17          2HB       PHE  17 -15.772 -13.944 -13.427
   68   2HB   PHE  17          3HB       PHE  17 -17.443 -13.807 -13.946
   69    HD1  PHE  17           HD1      PHE  17 -15.272 -14.283 -10.969
   70    HD2  PHE  17           HD2      PHE  17 -19.321 -13.861 -12.403
   71    HE1  PHE  17           HE1      PHE  17 -16.114 -14.334  -8.639
   72    HE2  PHE  17           HE2      PHE  17 -20.141 -13.805 -10.069
   73    HZ   PHE  17           HZ       PHE  17 -18.560 -14.122  -8.193
   74    H    ALA  18           H        ALA  18 -18.386 -17.401 -14.837
   75    HA   ALA  18           HA       ALA  18 -18.712 -18.137 -16.958
   76   1HB   ALA  18          3HB       ALA  18 -19.991 -16.020 -16.829
   77   2HB   ALA  18          1HB       ALA  18 -18.600 -15.145 -17.509
   78   3HB   ALA  18          2HB       ALA  18 -19.445 -16.369 -18.479
   79    H    ASP  19           H        ASP  19 -15.929 -18.245 -16.285
   80    HA   ASP  19           HA       ASP  19 -13.931 -18.632 -17.199
   81   1HB   ASP  19          2HB       ASP  19 -15.418 -18.830 -19.852
   82   2HB   ASP  19          3HB       ASP  19 -13.789 -19.415 -19.517
   83    H    CYS  20           H        CYS  20 -14.625 -15.920 -16.746
   84    HA   CYS  20           HA       CYS  20 -14.118 -13.993 -18.564
   85   1HB   CYS  20          2HB       CYS  20 -14.498 -13.732 -16.107
   86   2HB   CYS  20          3HB       CYS  20 -12.837 -14.265 -15.844
   87    H    GLY  21           H        GLY  21 -11.623 -16.140 -17.147
   88   1HA   GLY  21          2HA       GLY  21  -9.595 -16.780 -18.017
   89   2HA   GLY  21          3HA       GLY  21  -9.915 -15.820 -19.460
   90    H    ALA  22           H        ALA  22 -10.166 -13.976 -16.572
   91    HA   ALA  22           HA       ALA  22  -7.745 -12.463 -17.195
   92   1HB   ALA  22          2HB       ALA  22  -9.817 -11.357 -16.428
   93   2HB   ALA  22          3HB       ALA  22  -9.687 -12.197 -14.867
   94   3HB   ALA  22          1HB       ALA  22  -8.436 -11.037 -15.364
   95    H    ALA  23           H        ALA  23  -5.927 -13.598 -16.775
   96    HA   ALA  23           HA       ALA  23  -5.743 -15.281 -14.357
   97   1HB   ALA  23          2HB       ALA  23  -5.502 -16.294 -16.578
   98   2HB   ALA  23          3HB       ALA  23  -4.101 -15.250 -16.901
   99   3HB   ALA  23          1HB       ALA  23  -4.021 -16.465 -15.602
  100    H    TYR  24           H        TYR  24  -4.245 -14.961 -12.759
  101    HA   TYR  24           HA       TYR  24  -2.152 -12.876 -13.171
  102   1HB   TYR  24          2HB       TYR  24  -3.979 -12.954 -10.748
  103   2HB   TYR  24          3HB       TYR  24  -2.691 -11.827 -11.070
  104    HD1  TYR  24           HD1      TYR  24  -2.908 -10.070 -12.852
  105    HD2  TYR  24           HD2      TYR  24  -6.142 -12.759 -11.968
  106    HE1  TYR  24           HE1      TYR  24  -4.493  -8.491 -13.898
  107    HE2  TYR  24           HE2      TYR  24  -7.725 -11.230 -13.091
  108    HH   TYR  24           HH       TYR  24  -6.709  -7.996 -14.263
  109    H    ASN  25           H        ASN  25  -0.391 -13.014 -11.724
  110    HA   ASN  25           HA       ASN  25   0.255 -15.741 -10.918
  111   1HB   ASN  25          2HB       ASN  25   2.452 -14.829 -10.443
  112   2HB   ASN  25          3HB       ASN  25   1.907 -14.375 -12.062
  113   1HD2  ASN  25          1HD2      ASN  25   3.459 -11.401 -10.271
  114   2HD2  ASN  25          2HD2      ASN  25   4.004 -13.049 -10.521
  115    H    LYS  26           H        LYS  26  -0.214 -12.597  -9.238
  116    HA   LYS  26           HA       LYS  26   0.156 -13.948  -6.628
  117   1HB   LYS  26          2HB       LYS  26  -0.515 -11.054  -7.224
  118   2HB   LYS  26          3HB       LYS  26  -0.081 -11.762  -5.667
  119   1HG   LYS  26          2HG       LYS  26   1.731 -11.487  -8.099
  120   2HG   LYS  26          3HG       LYS  26   1.800 -10.551  -6.609
  121   1HD   LYS  26          2HD       LYS  26   2.145 -12.833  -5.395
  122   2HD   LYS  26          3HD       LYS  26   2.493 -13.486  -7.005
  123   1HE   LYS  26          2HE       LYS  26   3.956 -11.253  -5.527
  124   2HE   LYS  26          3HE       LYS  26   4.570 -12.867  -5.909
  125   1HZ   LYS  26          1HZ       LYS  26   4.403 -12.283  -8.242
  126   2HZ   LYS  26          2HZ       LYS  26   3.953 -10.744  -7.841
  127   3HZ   LYS  26          3HZ       LYS  26   5.437 -11.301  -7.418
  128    H    ASN  27           H        ASN  27  -1.442 -14.469  -5.196
  129    HA   ASN  27           HA       ASN  27  -4.083 -14.837  -6.135
  130   1HB   ASN  27          2HB       ASN  27  -3.146 -16.114  -4.250
  131   2HB   ASN  27          3HB       ASN  27  -3.098 -14.636  -3.263
  132   1HD2  ASN  27          1HD2      ASN  27  -6.706 -16.479  -3.965
  133   2HD2  ASN  27          2HD2      ASN  27  -5.315 -16.916  -4.944
  134    H    TRP  28           H        TRP  28  -2.708 -12.253  -4.063
  135    HA   TRP  28           HA       TRP  28  -5.064 -10.819  -3.516
  136   1HB   TRP  28          2HB       TRP  28  -3.676  -8.963  -3.032
  137   2HB   TRP  28          3HB       TRP  28  -2.980 -10.429  -2.374
  138    HD1  TRP  28           HD1      TRP  28  -0.514 -10.880  -2.897
  139    HE1  TRP  28           HE1      TRP  28   1.311  -9.792  -4.309
  140    HE3  TRP  28           HE3      TRP  28  -3.367  -7.459  -5.466
  141    HZ2  TRP  28           HZ2      TRP  28   1.514  -7.751  -6.342
  142    HZ3  TRP  28           HZ3      TRP  28  -2.325  -5.970  -7.109
  143    HH2  TRP  28           HH2      TRP  28   0.114  -6.100  -7.571
  144    H    LYS  29           H        LYS  29  -2.963 -10.735  -6.384
  145    HA   LYS  29           HA       LYS  29  -4.165  -8.444  -7.607
  146   1HB   LYS  29          2HB       LYS  29  -1.919  -9.510  -7.996
  147   2HB   LYS  29          3HB       LYS  29  -2.728 -10.744  -8.977
  148   1HG   LYS  29          2HG       LYS  29  -3.570  -8.898 -10.455
  149   2HG   LYS  29          3HG       LYS  29  -2.681  -7.722  -9.475
  150   1HD   LYS  29          2HD       LYS  29  -1.355 -10.106 -10.858
  151   2HD   LYS  29          3HD       LYS  29  -1.498  -8.516 -11.594
  152   1HE   LYS  29          2HE       LYS  29  -0.110  -7.535  -9.802
  153   2HE   LYS  29          3HE       LYS  29  -0.031  -9.093  -8.967
  154   1HZ   LYS  29          3HZ       LYS  29   1.007  -8.617 -11.651
  155   2HZ   LYS  29          1HZ       LYS  29   1.894  -8.713 -10.259
  156   3HZ   LYS  29          2HZ       LYS  29   1.072 -10.035 -10.805
  157    H    LEU  30           H        LEU  30  -4.707 -12.021  -7.949
  158    HA   LEU  30           HA       LEU  30  -6.888 -11.692  -9.737
  159   1HB   LEU  30          2HB       LEU  30  -5.840 -13.869  -9.508
  160   2HB   LEU  30          3HB       LEU  30  -6.232 -13.916  -7.785
  161    HG   LEU  30           HG       LEU  30  -8.651 -13.974  -8.305
  162   1HD1  LEU  30          3HD1      LEU  30  -8.620 -12.789 -10.532
  163   2HD1  LEU  30          1HD1      LEU  30  -7.774 -14.185 -11.228
  164   3HD1  LEU  30          2HD1      LEU  30  -9.424 -14.351 -10.601
  165   1HD2  LEU  30          1HD2      LEU  30  -7.266 -16.054  -8.104
  166   2HD2  LEU  30          2HD2      LEU  30  -8.765 -16.230  -9.047
  167   3HD2  LEU  30          3HD2      LEU  30  -7.217 -16.086  -9.890
  168    H    GLN  31           H        GLN  31  -6.726 -11.661  -6.133
  169    HA   GLN  31           HA       GLN  31  -9.547 -11.664  -5.714
  170   1HB   GLN  31          2HB       GLN  31  -7.448 -10.238  -4.032
  171   2HB   GLN  31          3HB       GLN  31  -9.111 -10.553  -3.601
  172   1HG   GLN  31          2HG       GLN  31  -6.768 -12.410  -3.623
  173   2HG   GLN  31          3HG       GLN  31  -8.079 -12.287  -2.479
  174   1HE2  GLN  31          1HE2      GLN  31  -8.293 -14.926  -5.604
  175   2HE2  GLN  31          2HE2      GLN  31  -6.957 -13.779  -5.439
  176    H    ALA  32           H        ALA  32  -7.283  -8.943  -6.215
  177    HA   ALA  32           HA       ALA  32  -9.243  -6.875  -6.100
  178   1HB   ALA  32          1HB       ALA  32  -6.753  -6.553  -6.092
  179   2HB   ALA  32          2HB       ALA  32  -6.715  -6.998  -7.812
  180   3HB   ALA  32          3HB       ALA  32  -7.584  -5.534  -7.291
  181    H    HIS  33           H        HIS  33  -8.189  -8.884  -8.899
  182    HA   HIS  33           HA       HIS  33  -9.978  -7.588 -10.718
  183   1HB   HIS  33          2HB       HIS  33  -8.190  -9.046 -11.459
  184   2HB   HIS  33          3HB       HIS  33  -8.976 -10.446 -10.723
  185    HD1  HIS  33           HD1      HIS  33  -9.059  -8.386 -13.849
  186    HD2  HIS  33           HD2      HIS  33 -11.382 -11.251 -11.837
  187    HE1  HIS  33           HE1      HIS  33 -10.919  -9.087 -15.466
  188    H    LEU  34           H        LEU  34 -10.462 -10.620  -8.816
  189    HA   LEU  34           HA       LEU  34 -13.115 -11.106  -9.564
  190   1HB   LEU  34          2HB       LEU  34 -11.699 -11.740  -6.966
  191   2HB   LEU  34          3HB       LEU  34 -13.295 -12.354  -7.378
  192    HG   LEU  34           HG       LEU  34 -10.838 -12.906  -9.068
  193   1HD1  LEU  34          1HD1      LEU  34 -10.603 -13.885  -6.806
  194   2HD1  LEU  34          2HD1      LEU  34 -12.205 -14.633  -6.957
  195   3HD1  LEU  34          3HD1      LEU  34 -10.881 -15.152  -8.017
  196   1HD2  LEU  34          1HD2      LEU  34 -13.617 -14.168  -9.031
  197   2HD2  LEU  34          2HD2      LEU  34 -12.945 -13.163 -10.331
  198   3HD2  LEU  34          3HD2      LEU  34 -12.251 -14.751  -9.993
  199    H    SER  35           H        SER  35 -11.916  -8.796  -7.122
  200    HA   SER  35           HA       SER  35 -14.367  -8.345  -5.824
  201   1HB   SER  35          2HB       SER  35 -13.546  -6.388  -4.975
  202   2HB   SER  35          3HB       SER  35 -12.106  -7.403  -5.190
  203    HG   SER  35           HG       SER  35 -11.777  -6.194  -7.179
  204    H    LYS  36           H        LYS  36 -13.358  -7.348  -9.075
  205    HA   LYS  36           HA       LYS  36 -15.294  -5.308  -9.521
  206   1HB   LYS  36          2HB       LYS  36 -14.117  -7.307 -11.492
  207   2HB   LYS  36          3HB       LYS  36 -14.940  -5.798 -11.895
  208   1HG   LYS  36          2HG       LYS  36 -13.170  -4.458 -10.921
  209   2HG   LYS  36          3HG       LYS  36 -12.403  -5.873 -10.200
  210   1HD   LYS  36          2HD       LYS  36 -11.137  -5.250 -12.133
  211   2HD   LYS  36          3HD       LYS  36 -11.909  -6.820 -12.409
  212   1HE   LYS  36          2HE       LYS  36 -13.654  -5.746 -13.798
  213   2HE   LYS  36          3HE       LYS  36 -12.968  -4.146 -13.449
  214   1HZ   LYS  36          1HZ       LYS  36 -10.972  -4.849 -14.563
  215   2HZ   LYS  36          2HZ       LYS  36 -11.620  -6.333 -14.873
  216   3HZ   LYS  36          3HZ       LYS  36 -12.274  -4.987 -15.562
  217    H    HIS  37           H        HIS  37 -15.474  -8.862  -9.668
  218    HA   HIS  37           HA       HIS  37 -18.221  -8.811 -10.785
  219   1HB   HIS  37          2HB       HIS  37 -16.416 -11.110  -9.981
  220   2HB   HIS  37          3HB       HIS  37 -17.991 -11.241 -10.752
  221    HD1  HIS  37           HD1      HIS  37 -18.096 -10.798 -13.375
  222    HD2  HIS  37           HD2      HIS  37 -14.332 -10.811 -11.525
  223    HE1  HIS  37           HE1      HIS  37 -16.379 -11.413 -15.179
  224    H    THR  38           H        THR  38 -16.493  -9.993  -7.907
  225    HA   THR  38           HA       THR  38 -18.877 -10.914  -6.556
  226    HB   THR  38           HB       THR  38 -17.321 -11.442  -4.745
  227    HG1  THR  38          1HG       THR  38 -15.317 -10.233  -6.343
  228   1HG2  THR  38          2HG2      THR  38 -16.129 -12.153  -7.460
  229   2HG2  THR  38          3HG2      THR  38 -15.737 -12.922  -5.912
  230   3HG2  THR  38          1HG2      THR  38 -17.381 -13.048  -6.559
  231    H    GLY  39           H        GLY  39 -16.872  -7.960  -6.293
  232   1HA   GLY  39          2HA       GLY  39 -17.279  -6.025  -5.108
  233   2HA   GLY  39          3HA       GLY  39 -18.764  -6.713  -4.437
  234    H    GLU  40           H        GLU  40 -16.237  -9.008  -4.047
  235    HA   GLU  40           HA       GLU  40 -16.149  -8.484  -1.173
  236   1HB   GLU  40          2HB       GLU  40 -14.866 -10.581  -2.963
  237   2HB   GLU  40          3HB       GLU  40 -14.653 -10.518  -1.209
  238   1HG   GLU  40          2HG       GLU  40 -17.058 -10.765  -0.833
  239   2HG   GLU  40          3HG       GLU  40 -17.379 -10.740  -2.567
  240    H    LYS  41           H        LYS  41 -14.439  -7.723   0.009
  241    HA   LYS  41           HA       LYS  41 -11.905  -6.968  -1.381
  242   1HB   LYS  41          2HB       LYS  41 -13.316  -5.170   0.606
  243   2HB   LYS  41          3HB       LYS  41 -11.888  -4.850  -0.387
  244   1HG   LYS  41          2HG       LYS  41 -13.511  -5.356  -2.418
  245   2HG   LYS  41          3HG       LYS  41 -14.785  -5.134  -1.210
  246   1HD   LYS  41          2HD       LYS  41 -14.599  -2.991  -2.081
  247   2HD   LYS  41          3HD       LYS  41 -13.582  -2.928  -0.635
  248   1HE   LYS  41          2HE       LYS  41 -12.425  -1.829  -2.473
  249   2HE   LYS  41          3HE       LYS  41 -11.561  -3.322  -2.116
  250   1HZ   LYS  41          1HZ       LYS  41 -13.502  -2.933  -4.292
  251   2HZ   LYS  41          2HZ       LYS  41 -11.865  -3.000  -4.456
  252   3HZ   LYS  41          3HZ       LYS  41 -12.694  -4.334  -3.983
  253    HA   PRO  42           HA       PRO  42 -11.370 -10.063   1.972
  254   1HB   PRO  42          2HB       PRO  42  -8.725 -10.208   0.528
  255   2HB   PRO  42          3HB       PRO  42  -9.694 -11.538   1.215
  256   1HG   PRO  42          2HG       PRO  42  -9.766 -10.976  -1.445
  257   2HG   PRO  42          3HG       PRO  42 -11.279 -11.384  -0.575
  258   1HD   PRO  42          2HD       PRO  42 -10.233  -8.702  -1.428
  259   2HD   PRO  42          3HD       PRO  42 -11.894  -9.344  -1.456
  260    H    PHE  43           H        PHE  43  -9.319  -7.231   1.397
  261    HA   PHE  43           HA       PHE  43  -7.891  -7.683   3.992
  262   1HB   PHE  43          2HB       PHE  43  -7.171  -5.981   1.597
  263   2HB   PHE  43          3HB       PHE  43  -6.328  -6.012   3.122
  264    HD1  PHE  43           HD2      PHE  43  -7.308  -8.201   0.217
  265    HD2  PHE  43           HD1      PHE  43  -4.643  -7.645   3.568
  266    HE1  PHE  43           HE2      PHE  43  -5.905 -10.058  -0.592
  267    HE2  PHE  43           HE1      PHE  43  -3.257  -9.530   2.764
  268    HZ   PHE  43           HZ       PHE  43  -3.869 -10.731   0.675
  269    HA   PRO  44           HA       PRO  44 -10.799  -4.129   4.768
  270   1HB   PRO  44          2HB       PRO  44 -11.732  -4.824   7.219
  271   2HB   PRO  44          3HB       PRO  44 -12.400  -5.551   5.727
  272   1HG   PRO  44          2HG       PRO  44 -10.254  -6.711   7.537
  273   2HG   PRO  44          3HG       PRO  44 -11.741  -7.519   6.958
  274   1HD   PRO  44          2HD       PRO  44  -9.356  -7.865   5.700
  275   2HD   PRO  44          3HD       PRO  44 -10.879  -7.725   4.768
  276    H    CYS  45           H        CYS  45 -10.402  -2.419   6.301
  277    HA   CYS  45           HA       CYS  45  -7.677  -2.399   7.431
  278   1HB   CYS  45          2HB       CYS  45  -8.494  -0.521   6.114
  279   2HB   CYS  45          3HB       CYS  45  -9.822  -0.273   7.249
  280    H    LYS  46           H        LYS  46  -7.312  -2.138   9.689
  281    HA   LYS  46           HA       LYS  46  -9.400  -3.463  11.297
  282   1HB   LYS  46          2HB       LYS  46  -6.519  -2.936  11.973
  283   2HB   LYS  46          3HB       LYS  46  -7.649  -4.006  12.816
  284   1HG   LYS  46          2HG       LYS  46  -6.627  -4.325   9.968
  285   2HG   LYS  46          3HG       LYS  46  -6.166  -5.292  11.376
  286   1HD   LYS  46          2HD       LYS  46  -8.579  -6.052  11.549
  287   2HD   LYS  46          3HD       LYS  46  -8.904  -5.225  10.013
  288   1HE   LYS  46          2HE       LYS  46  -6.921  -7.501  10.421
  289   2HE   LYS  46          3HE       LYS  46  -8.508  -7.603   9.641
  290   1HZ   LYS  46          3HZ       LYS  46  -7.702  -6.029   7.988
  291   2HZ   LYS  46          1HZ       LYS  46  -6.212  -6.044   8.690
  292   3HZ   LYS  46          2HZ       LYS  46  -6.815  -7.421   8.019
  293    H    GLU  47           H        GLU  47  -8.844  -0.242  10.725
  294    HA   GLU  47           HA       GLU  47  -8.891   0.659  13.514
  295   1HB   GLU  47          2HB       GLU  47  -9.189   2.119  10.870
  296   2HB   GLU  47          3HB       GLU  47  -9.236   2.895  12.465
  297   1HG   GLU  47          2HG       GLU  47  -6.942   1.869  12.909
  298   2HG   GLU  47          3HG       GLU  47  -6.890   1.423  11.194
  299    H    GLU  48           H        GLU  48 -10.642   1.464  14.628
  300    HA   GLU  48           HA       GLU  48 -13.254   0.476  13.984
  301   1HB   GLU  48          2HB       GLU  48 -12.385   2.683  15.912
  302   2HB   GLU  48          3HB       GLU  48 -13.988   1.936  15.860
  303   1HG   GLU  48          2HG       GLU  48 -12.981  -0.284  16.363
  304   2HG   GLU  48          3HG       GLU  48 -11.379   0.460  16.471
  305    H    GLY  49           H        GLY  49 -14.905   1.451  12.804
  306   1HA   GLY  49          2HA       GLY  49 -16.039   3.066  11.592
  307   2HA   GLY  49          3HA       GLY  49 -14.882   4.302  12.114
  308    H    CYS  50           H        CYS  50 -12.504   3.598  11.264
  309    HA   CYS  50           HA       CYS  50 -12.612   3.656   8.329
  310   1HB   CYS  50          2HB       CYS  50 -11.144   5.155   9.388
  311   2HB   CYS  50          3HB       CYS  50 -10.433   3.922  10.409
  312    H    GLU  51           H        GLU  51 -13.811   1.491   8.698
  313    HA   GLU  51           HA       GLU  51 -12.122  -0.877   8.952
  314   1HB   GLU  51          2HB       GLU  51 -14.459  -0.722   9.796
  315   2HB   GLU  51          3HB       GLU  51 -15.031  -0.605   8.118
  316   1HG   GLU  51          2HG       GLU  51 -14.069  -2.830   7.633
  317   2HG   GLU  51          3HG       GLU  51 -13.401  -2.910   9.273
  318    H    LYS  52           H        LYS  52 -13.351   1.219   6.448
  319    HA   LYS  52           HA       LYS  52 -13.358   1.164   4.144
  320   1HB   LYS  52          2HB       LYS  52 -10.654   0.228   4.972
  321   2HB   LYS  52          3HB       LYS  52 -10.991   1.015   3.394
  322   1HG   LYS  52          2HG       LYS  52 -11.263   2.322   6.140
  323   2HG   LYS  52          3HG       LYS  52  -9.862   2.453   5.088
  324   1HD   LYS  52          2HD       LYS  52 -11.187   3.529   3.330
  325   2HD   LYS  52          3HD       LYS  52 -12.677   3.340   4.278
  326   1HE   LYS  52          2HE       LYS  52 -11.816   4.797   6.040
  327   2HE   LYS  52          3HE       LYS  52 -10.249   4.926   5.222
  328   1HZ   LYS  52          3HZ       LYS  52 -12.798   5.855   4.108
  329   2HZ   LYS  52          2HZ       LYS  52 -11.657   6.808   4.819
  330   3HZ   LYS  52          1HZ       LYS  52 -11.303   6.018   3.419
  331    H    GLY  53           H        GLY  53 -11.263  -0.788   2.912
  332   1HA   GLY  53          2HA       GLY  53 -12.056  -3.447   2.968
  333   2HA   GLY  53          3HA       GLY  53 -13.211  -2.650   1.888
  334    H    PHE  54           H        PHE  54  -9.890  -3.748   2.232
  335    HA   PHE  54           HA       PHE  54  -9.242  -2.644  -0.463
  336   1HB   PHE  54          2HB       PHE  54  -7.362  -3.377   1.780
  337   2HB   PHE  54          3HB       PHE  54  -6.922  -2.794   0.185
  338    HD1  PHE  54           HD1      PHE  54  -7.990  -0.589  -0.609
  339    HD2  PHE  54           HD2      PHE  54  -8.191  -1.794   3.486
  340    HE1  PHE  54           HE1      PHE  54  -8.447   1.757   0.040
  341    HE2  PHE  54           HE2      PHE  54  -8.511   0.569   4.164
  342    HZ   PHE  54           HZ       PHE  54  -8.760   2.328   2.437
  343    H    THR  55           H        THR  55  -8.116  -4.053  -1.953
  344    HA   THR  55           HA       THR  55  -8.951  -6.888  -1.655
  345    HB   THR  55           HB       THR  55  -8.368  -6.660  -4.179
  346    HG1  THR  55          1HG       THR  55  -8.787  -4.428  -4.841
  347   1HG2  THR  55          1HG2      THR  55 -10.742  -5.327  -2.811
  348   2HG2  THR  55          2HG2      THR  55 -10.671  -5.639  -4.551
  349   3HG2  THR  55          3HG2      THR  55 -10.632  -6.995  -3.406
  350    H    SER  56           H        SER  56  -6.067  -5.150  -1.101
  351    HA   SER  56           HA       SER  56  -4.600  -7.657  -1.356
  352   1HB   SER  56          2HB       SER  56  -2.872  -6.740  -2.841
  353   2HB   SER  56          3HB       SER  56  -4.455  -6.748  -3.648
  354    HG   SER  56           HG       SER  56  -4.633  -4.574  -3.272
  355    H    LEU  57           H        LEU  57  -2.590  -7.639  -0.330
  356    HA   LEU  57           HA       LEU  57  -2.427  -6.067   2.005
  357   1HB   LEU  57          2HB       LEU  57  -1.372  -8.279   1.756
  358   2HB   LEU  57          3HB       LEU  57  -0.283  -7.644   0.518
  359    HG   LEU  57           HG       LEU  57   0.786  -6.181   2.186
  360   1HD1  LEU  57          1HD1      LEU  57  -1.173  -7.444   4.162
  361   2HD1  LEU  57          2HD1      LEU  57   0.269  -6.517   4.620
  362   3HD1  LEU  57          3HD1      LEU  57  -1.043  -5.717   3.756
  363   1HD2  LEU  57          3HD2      LEU  57   1.572  -8.489   1.793
  364   2HD2  LEU  57          1HD2      LEU  57   1.899  -7.944   3.454
  365   3HD2  LEU  57          2HD2      LEU  57   0.558  -9.067   3.133
  366    H    HIS  58           H        HIS  58  -0.865  -5.731  -1.230
  367    HA   HIS  58           HA       HIS  58   0.813  -3.568  -0.530
  368   1HB   HIS  58          2HB       HIS  58   1.347  -3.368  -2.687
  369   2HB   HIS  58          3HB       HIS  58   0.654  -4.978  -2.797
  370    HD1  HIS  58           HD1      HIS  58  -1.449  -5.113  -4.515
  371    HD2  HIS  58           HD2      HIS  58  -0.231  -1.224  -3.459
  372    HE1  HIS  58           HE1      HIS  58  -2.873  -3.500  -5.870
  373    H    HIS  59           H        HIS  59  -2.532  -3.594  -1.865
  374    HA   HIS  59           HA       HIS  59  -2.829  -0.796  -1.940
  375   1HB   HIS  59          2HB       HIS  59  -4.254  -2.412  -3.108
  376   2HB   HIS  59          3HB       HIS  59  -4.976  -2.921  -1.562
  377    HD1  HIS  59           HD1      HIS  59  -4.656   0.645  -1.204
  378    HD2  HIS  59           HD2      HIS  59  -7.062  -1.942  -3.520
  379    HE1  HIS  59           HE1      HIS  59  -6.638   2.033  -2.015
  380    HE2  HIS  59           HE2      HIS  59  -8.159   0.422  -3.346
  381    H    LEU  60           H        LEU  60  -3.561  -3.161   0.641
  382    HA   LEU  60           HA       LEU  60  -4.693  -1.342   2.480
  383   1HB   LEU  60          2HB       LEU  60  -4.714  -3.879   2.592
  384   2HB   LEU  60          3HB       LEU  60  -3.021  -3.818   3.087
  385    HG   LEU  60           HG       LEU  60  -3.730  -2.424   5.092
  386   1HD1  LEU  60          1HD1      LEU  60  -6.492  -3.166   4.024
  387   2HD1  LEU  60          2HD1      LEU  60  -6.190  -2.619   5.684
  388   3HD1  LEU  60          3HD1      LEU  60  -5.871  -1.525   4.339
  389   1HD2  LEU  60          1HD2      LEU  60  -3.321  -4.863   5.232
  390   2HD2  LEU  60          2HD2      LEU  60  -4.607  -4.342   6.336
  391   3HD2  LEU  60          3HD2      LEU  60  -5.024  -5.166   4.823
  392    H    THR  61           H        THR  61  -1.296  -2.349   1.944
  393    HA   THR  61           HA       THR  61  -0.130  -0.863   4.067
  394    HB   THR  61           HB       THR  61   1.116  -1.610   1.398
  395    HG1  THR  61          1HG       THR  61   0.273  -3.404   2.525
  396   1HG2  THR  61          1HG2      THR  61   2.361  -1.005   4.115
  397   2HG2  THR  61          2HG2      THR  61   3.228  -1.602   2.688
  398   3HG2  THR  61          3HG2      THR  61   2.497   0.013   2.663
  399    H    ARG  62           H        ARG  62  -0.692  -0.026   0.612
  400    HA   ARG  62           HA       ARG  62   0.352   2.604   0.764
  401   1HB   ARG  62          2HB       ARG  62   0.184   2.067  -1.359
  402   2HB   ARG  62          3HB       ARG  62  -1.261   1.050  -1.149
  403   1HG   ARG  62          2HG       ARG  62  -2.694   2.988  -1.277
  404   2HG   ARG  62          3HG       ARG  62  -1.297   4.090  -1.232
  405   1HD   ARG  62          2HD       ARG  62  -2.021   3.794  -3.590
  406   2HD   ARG  62          3HD       ARG  62  -0.442   3.086  -3.347
  407    HE   ARG  62           HE       ARG  62  -1.269   0.953  -3.676
  408   1HH1  ARG  62          2HH2      ARG  62  -3.951   3.222  -3.407
  409   2HH1  ARG  62          1HH2      ARG  62  -5.034   2.244  -4.381
  410   1HH2  ARG  62          2HH1      ARG  62  -2.747  -0.433  -4.730
  411   2HH2  ARG  62          1HH1      ARG  62  -4.376   0.075  -5.004
  412    H    HIS  63           H        HIS  63  -3.025   1.434   1.328
  413    HA   HIS  63           HA       HIS  63  -4.116   3.996   1.989
  414   1HB   HIS  63          2HB       HIS  63  -5.566   2.088   1.651
  415   2HB   HIS  63          3HB       HIS  63  -4.783   1.175   2.938
  416    HD1  HIS  63           HD1      HIS  63  -6.662   4.582   2.777
  417    HD2  HIS  63           HD2      HIS  63  -5.968   1.241   5.246
  418    HE1  HIS  63           HE1      HIS  63  -7.900   5.011   4.955
  419    H    SER  64           H        SER  64  -2.415   1.586   4.032
  420    HA   SER  64           HA       SER  64  -2.658   2.980   6.471
  421   1HB   SER  64          2HB       SER  64  -0.359   1.163   5.665
  422   2HB   SER  64          3HB       SER  64  -0.867   1.606   7.299
  423    HG   SER  64           HG       SER  64  -2.451   0.188   5.400
  424    H    LEU  65           H        LEU  65  -0.719   3.911   3.699
  425    HA   LEU  65           HA       LEU  65   1.370   5.322   5.004
  426   1HB   LEU  65          2HB       LEU  65  -0.144   6.073   2.493
  427   2HB   LEU  65          3HB       LEU  65   1.359   6.809   3.027
  428    HG   LEU  65           HG       LEU  65   1.182   3.829   2.493
  429   1HD1  LEU  65          1HD1      LEU  65   1.987   6.084   0.626
  430   2HD1  LEU  65          2HD1      LEU  65   2.165   4.356   0.261
  431   3HD1  LEU  65          3HD1      LEU  65   0.552   5.079   0.434
  432   1HD2  LEU  65          3HD2      LEU  65   3.516   5.784   2.619
  433   2HD2  LEU  65          1HD2      LEU  65   3.136   4.518   3.818
  434   3HD2  LEU  65          2HD2      LEU  65   3.633   4.068   2.185
  435    H    THR  66           H        THR  66  -2.081   6.052   4.505
  436    HA   THR  66           HA       THR  66  -1.975   8.807   5.266
  437    HB   THR  66           HB       THR  66  -4.360   8.677   5.462
  438    HG1  THR  66          1HG       THR  66  -4.192   5.861   5.197
  439   1HG2  THR  66          1HG2      THR  66  -3.400   8.585   3.146
  440   2HG2  THR  66          2HG2      THR  66  -3.564   6.815   3.156
  441   3HG2  THR  66          3HG2      THR  66  -5.000   7.836   3.287
  442    H    HIS  67           H        HIS  67  -2.252   5.804   7.129
  443    HA   HIS  67           HA       HIS  67  -2.964   7.112   9.643
  444   1HB   HIS  67          2HB       HIS  67  -1.980   4.290   9.013
  445   2HB   HIS  67          3HB       HIS  67  -2.608   4.832  10.563
  446    HD1  HIS  67           HD1      HIS  67  -4.758   6.434   8.091
  447    HD2  HIS  67           HD2      HIS  67  -4.171   2.491   9.435
  448    HE1  HIS  67           HE1      HIS  67  -6.824   5.147   7.431
  449    H    THR  68           H        THR  68  -0.105   5.484   8.283
  450    HA   THR  68           HA       THR  68   1.636   6.072  10.503
  451    HB   THR  68           HB       THR  68   3.430   5.448   8.819
  452    HG1  THR  68          1HG       THR  68   1.217   4.890   7.135
  453   1HG2  THR  68          2HG2      THR  68   1.005   3.582   9.061
  454   2HG2  THR  68          3HG2      THR  68   2.650   3.093   8.597
  455   3HG2  THR  68          1HG2      THR  68   2.336   3.728  10.225
  456    H    GLY  69           H        GLY  69   0.581   7.911   7.694
  457   1HA   GLY  69          2HA       GLY  69   0.817  10.132   7.228
  458   2HA   GLY  69          3HA       GLY  69   1.757  10.362   8.716
  459    H    GLU  70           H        GLU  70   2.425   7.947   6.206
  460    HA   GLU  70           HA       GLU  70   5.166   8.946   5.938
  461   1HB   GLU  70          2HB       GLU  70   3.652   6.534   4.956
  462   2HB   GLU  70          3HB       GLU  70   5.260   6.875   4.319
  463   1HG   GLU  70          2HG       GLU  70   4.666   6.660   7.289
  464   2HG   GLU  70          3HG       GLU  70   5.223   5.309   6.291
  465    H    LYS  71           H        LYS  71   3.660  10.938   5.180
  466    HA   LYS  71           HA       LYS  71   3.385  11.099   2.246
  467   1HB   LYS  71          2HB       LYS  71   1.786  12.115   3.871
  468   2HB   LYS  71          3HB       LYS  71   3.090  13.138   4.484
  469   1HG   LYS  71          2HG       LYS  71   3.276  14.191   2.210
  470   2HG   LYS  71          3HG       LYS  71   1.933  13.168   1.659
  471   1HD   LYS  71          2HD       LYS  71   0.532  14.119   3.557
  472   2HD   LYS  71          3HD       LYS  71   1.859  15.231   3.925
  473   1HE   LYS  71          2HE       LYS  71   0.326  15.049   1.302
  474   2HE   LYS  71          3HE       LYS  71   0.094  16.291   2.544
  475   1HZ   LYS  71          3HZ       LYS  71   2.382  16.965   2.185
  476   2HZ   LYS  71          1HZ       LYS  71   2.537  15.862   0.964
  477   3HZ   LYS  71          2HZ       LYS  71   1.473  17.102   0.813
  478    H    ASN  72           H        ASN  72   5.746  10.317   2.287
  479    HA   ASN  72           HA       ASN  72   7.630  12.652   2.582
  480   1HB   ASN  72          2HB       ASN  72   8.062   9.739   3.306
  481   2HB   ASN  72          3HB       ASN  72   9.322  10.979   3.329
  482   1HD2  ASN  72          1HD2      ASN  72   7.282  10.568   6.669
  483   2HD2  ASN  72          2HD2      ASN  72   7.508   9.295   5.481
  484    H    PHE  73           H        PHE  73   6.256  10.974   0.113
  485    HA   PHE  73           HA       PHE  73   8.767  10.348  -1.289
  486   1HB   PHE  73          2HB       PHE  73   5.904  10.433  -2.272
  487   2HB   PHE  73          3HB       PHE  73   7.309  10.000  -3.243
  488    HD1  PHE  73           HD1      PHE  73   8.903   8.159  -2.295
  489    HD2  PHE  73           HD2      PHE  73   4.992   8.868  -0.710
  490    HE1  PHE  73           HE1      PHE  73   9.055   6.078  -1.000
  491    HE2  PHE  73           HE2      PHE  73   5.045   6.695   0.465
  492    HZ   PHE  73           HZ       PHE  73   7.105   5.297   0.364
  493    H    THR  74           H        THR  74   9.804  12.174  -0.957
  494    HA   THR  74           HA       THR  74   8.943  14.800  -1.689
  495    HB   THR  74           HB       THR  74  11.719  13.743  -1.089
  496    HG1  THR  74          1HG       THR  74  10.168  13.215   0.558
  497   1HG2  THR  74          3HG2      THR  74  10.467  16.511  -0.786
  498   2HG2  THR  74          1HG2      THR  74  12.090  16.042  -0.241
  499   3HG2  THR  74          2HG2      THR  74  11.716  16.053  -1.973
  500    H    CYS  75           H        CYS  75   8.757  15.501  -3.740
  501    HA   CYS  75           HA       CYS  75   9.942  14.340  -6.059
  502   1HB   CYS  75          2HB       CYS  75   8.087  15.735  -6.385
  503   2HB   CYS  75          3HB       CYS  75   8.746  17.036  -5.382
  504    H    ASP  76           H        ASP  76  12.086  14.214  -6.453
  505    HA   ASP  76           HA       ASP  76  14.004  15.799  -4.994
  506   1HB   ASP  76          2HB       ASP  76  14.419  13.475  -5.549
  507   2HB   ASP  76          3HB       ASP  76  14.340  13.835  -7.288
  508    H    SER  77           H        SER  77  12.989  17.857  -5.731
  509    HA   SER  77           HA       SER  77  14.598  19.016  -7.917
  510   1HB   SER  77          2HB       SER  77  12.468  18.326  -9.005
  511   2HB   SER  77          3HB       SER  77  11.556  19.255  -7.803
  512    HG   SER  77           HG       SER  77  12.623  21.137  -8.591
  513    H    ASP  78           H        ASP  78  15.594  20.654  -6.858
  514    HA   ASP  78           HA       ASP  78  15.032  21.584  -4.315
  515   1HB   ASP  78          2HB       ASP  78  16.292  23.128  -6.625
  516   2HB   ASP  78          3HB       ASP  78  16.418  23.557  -4.915
  517    H    GLY  79           H        GLY  79  13.721  23.152  -3.416
  518   1HA   GLY  79          2HA       GLY  79  12.192  24.896  -3.301
  519   2HA   GLY  79          3HA       GLY  79  12.224  25.089  -5.062
  520    H    CYS  80           H        CYS  80  11.499  22.812  -6.141
  521    HA   CYS  80           HA       CYS  80   8.703  22.393  -5.334
  522   1HB   CYS  80          2HB       CYS  80   9.382  22.632  -7.689
  523   2HB   CYS  80          3HB       CYS  80  10.383  21.193  -7.562
  524    H    ASP  81           H        ASP  81  10.253  21.626  -3.213
  525    HA   ASP  81           HA       ASP  81  10.776  18.721  -3.309
  526   1HB   ASP  81          2HB       ASP  81  10.938  20.731  -1.046
  527   2HB   ASP  81          3HB       ASP  81  11.446  19.039  -0.964
  528    H    LEU  82           H        LEU  82   8.305  18.924  -4.102
  529    HA   LEU  82           HA       LEU  82   6.307  19.060  -2.005
  530   1HB   LEU  82          2HB       LEU  82   6.252  18.033  -4.854
  531   2HB   LEU  82          3HB       LEU  82   4.812  18.136  -3.827
  532    HG   LEU  82           HG       LEU  82   6.569  20.498  -4.645
  533   1HD1  LEU  82          3HD1      LEU  82   5.406  19.451  -6.564
  534   2HD1  LEU  82          1HD1      LEU  82   3.856  19.588  -5.708
  535   3HD1  LEU  82          2HD1      LEU  82   4.739  21.051  -6.199
  536   1HD2  LEU  82          3HD2      LEU  82   3.855  20.373  -3.248
  537   2HD2  LEU  82          1HD2      LEU  82   5.373  20.997  -2.559
  538   3HD2  LEU  82          2HD2      LEU  82   4.596  21.850  -3.893
  539    H    ARG  83           H        ARG  83   5.760  17.516  -0.598
  540    HA   ARG  83           HA       ARG  83   6.879  14.788  -0.832
  541   1HB   ARG  83          2HB       ARG  83   5.432  16.218   1.421
  542   2HB   ARG  83          3HB       ARG  83   6.124  14.588   1.460
  543   1HG   ARG  83          2HG       ARG  83   8.369  15.491   1.014
  544   2HG   ARG  83          3HG       ARG  83   7.730  17.141   1.030
  545   1HD   ARG  83          2HD       ARG  83   7.569  15.173   3.374
  546   2HD   ARG  83          3HD       ARG  83   8.779  16.431   3.177
  547    HE   ARG  83           HE       ARG  83   7.223  18.131   3.505
  548   1HH1  ARG  83          2HH2      ARG  83   5.583  14.945   3.864
  549   2HH1  ARG  83          1HH2      ARG  83   4.329  15.619   4.850
  550   1HH2  ARG  83          2HH1      ARG  83   5.521  18.940   4.715
  551   2HH2  ARG  83          1HH1      ARG  83   4.247  17.900   5.291
  552    H    PHE  84           H        PHE  84   5.635  13.404  -1.986
  553    HA   PHE  84           HA       PHE  84   2.685  13.678  -1.918
  554   1HB   PHE  84          2HB       PHE  84   4.480  11.914  -3.597
  555   2HB   PHE  84          3HB       PHE  84   2.735  11.999  -3.729
  556    HD1  PHE  84           HD2      PHE  84   5.883  13.955  -4.234
  557    HD2  PHE  84           HD1      PHE  84   1.619  13.811  -4.926
  558    HE1  PHE  84           HE2      PHE  84   6.027  15.973  -5.618
  559    HE2  PHE  84           HE1      PHE  84   1.822  15.763  -6.419
  560    HZ   PHE  84           HZ       PHE  84   3.970  16.989  -6.575
  561    H    THR  85           H        THR  85   1.343  11.748  -1.681
  562    HA   THR  85           HA       THR  85   1.919  10.233   0.706
  563    HB   THR  85           HB       THR  85  -0.291   9.149  -0.100
  564    HG1  THR  85          1HG       THR  85  -1.340  10.515  -1.660
  565   1HG2  THR  85          2HG2      THR  85  -0.113  10.961   1.619
  566   2HG2  THR  85          3HG2      THR  85  -0.237  12.176   0.327
  567   3HG2  THR  85          1HG2      THR  85  -1.586  11.058   0.652
  568    H    THR  86           H        THR  86   1.494   9.232  -2.735
  569    HA   THR  86           HA       THR  86   2.982   6.711  -2.057
  570    HB   THR  86           HB       THR  86   1.873   5.811  -4.098
  571    HG1  THR  86          1HG       THR  86   0.045   7.922  -4.016
  572   1HG2  THR  86          2HG2      THR  86   0.022   6.741  -1.864
  573   2HG2  THR  86          3HG2      THR  86  -0.455   5.638  -3.164
  574   3HG2  THR  86          1HG2      THR  86   0.822   5.156  -2.043
  575    H    LYS  87           H        LYS  87   4.522   5.959  -3.587
  576    HA   LYS  87           HA       LYS  87   6.203   7.886  -4.800
  577   1HB   LYS  87          2HB       LYS  87   5.783   4.924  -5.457
  578   2HB   LYS  87          3HB       LYS  87   7.063   5.947  -6.137
  579   1HG   LYS  87          2HG       LYS  87   7.960   6.379  -3.914
  580   2HG   LYS  87          3HG       LYS  87   6.727   5.329  -3.170
  581   1HD   LYS  87          2HD       LYS  87   7.599   3.424  -4.558
  582   2HD   LYS  87          3HD       LYS  87   8.781   4.528  -5.284
  583   1HE   LYS  87          2HE       LYS  87   9.947   3.297  -3.656
  584   2HE   LYS  87          3HE       LYS  87   9.759   4.921  -3.000
  585   1HZ   LYS  87          2HZ       LYS  87   8.098   2.578  -2.336
  586   2HZ   LYS  87          3HZ       LYS  87   9.281   3.216  -1.389
  587   3HZ   LYS  87          1HZ       LYS  87   7.912   4.086  -1.696
  588    H    ALA  88           H        ALA  88   3.526   5.884  -6.128
  589    HA   ALA  88           HA       ALA  88   3.871   6.739  -8.796
  590   1HB   ALA  88          1HB       ALA  88   2.661   4.789  -8.163
  591   2HB   ALA  88          2HB       ALA  88   1.321   5.767  -7.489
  592   3HB   ALA  88          3HB       ALA  88   1.701   5.839  -9.237
  593    H    ASN  89           H        ASN  89   1.989   8.302  -6.110
  594    HA   ASN  89           HA       ASN  89   0.804  10.284  -7.835
  595   1HB   ASN  89          2HB       ASN  89   1.481  10.303  -4.870
  596   2HB   ASN  89          3HB       ASN  89   0.727  11.672  -5.699
  597   1HD2  ASN  89          1HD2      ASN  89  -2.026   9.616  -4.191
  598   2HD2  ASN  89          2HD2      ASN  89  -0.587  10.384  -3.531
  599    H    MET  90           H        MET  90   3.936  10.164  -6.101
  600    HA   MET  90           HA       MET  90   4.897  12.728  -6.922
  601   1HB   MET  90          2HB       MET  90   5.981  11.445  -5.145
  602   2HB   MET  90          3HB       MET  90   6.340  10.143  -6.256
  603   1HG   MET  90          2HG       MET  90   7.834  11.724  -7.542
  604   2HG   MET  90          3HG       MET  90   7.551  12.902  -6.257
  605   1HE   MET  90          1HE       MET  90   8.962   9.361  -7.233
  606   2HE   MET  90          3HE       MET  90   9.847   8.892  -5.756
  607   3HE   MET  90          2HE       MET  90   8.086   8.880  -5.759
  608    H    LYS  91           H        LYS  91   5.163   9.495  -8.478
  609    HA   LYS  91           HA       LYS  91   6.667  10.365 -10.759
  610   1HB   LYS  91          2HB       LYS  91   4.669   8.099 -10.481
  611   2HB   LYS  91          3HB       LYS  91   5.739   8.322 -11.858
  612   1HG   LYS  91          2HG       LYS  91   6.732   7.867  -8.999
  613   2HG   LYS  91          3HG       LYS  91   6.506   6.617 -10.228
  614   1HD   LYS  91          2HD       LYS  91   8.125   8.001 -11.696
  615   2HD   LYS  91          3HD       LYS  91   8.487   8.924 -10.212
  616   1HE   LYS  91          2HE       LYS  91   9.100   6.800  -9.062
  617   2HE   LYS  91          3HE       LYS  91   8.744   5.896 -10.554
  618   1HZ   LYS  91          2HZ       LYS  91  10.475   7.126 -11.638
  619   2HZ   LYS  91          3HZ       LYS  91  10.815   7.955 -10.253
  620   3HZ   LYS  91          1HZ       LYS  91  11.059   6.326 -10.322
  621    H    LYS  92           H        LYS  92   3.092  10.069 -10.361
  622    HA   LYS  92           HA       LYS  92   2.430  11.013 -12.942
  623   1HB   LYS  92          2HB       LYS  92   0.925  11.319 -10.327
  624   2HB   LYS  92          3HB       LYS  92   0.297  11.766 -11.924
  625   1HG   LYS  92          2HG       LYS  92   0.842   9.332 -12.639
  626   2HG   LYS  92          3HG       LYS  92   0.924   8.991 -10.899
  627   1HD   LYS  92          2HD       LYS  92  -1.468  10.311 -12.223
  628   2HD   LYS  92          3HD       LYS  92  -1.326   8.560 -12.019
  629   1HE   LYS  92          2HE       LYS  92  -1.007  10.451  -9.671
  630   2HE   LYS  92          3HE       LYS  92  -2.599   9.886 -10.206
  631   1HZ   LYS  92          3HZ       LYS  92  -0.363   8.170  -9.384
  632   2HZ   LYS  92          1HZ       LYS  92  -1.673   8.548  -8.460
  633   3HZ   LYS  92          2HZ       LYS  92  -1.864   7.654  -9.846
  634    H    HIS  93           H        HIS  93   3.051  12.847  -9.888
  635    HA   HIS  93           HA       HIS  93   2.592  15.445 -10.992
  636   1HB   HIS  93          2HB       HIS  93   2.830  15.393  -8.678
  637   2HB   HIS  93          3HB       HIS  93   4.281  14.405  -8.718
  638    HD1  HIS  93           HD1      HIS  93   3.312  18.086  -9.535
  639    HD2  HIS  93           HD2      HIS  93   6.609  15.576  -8.762
  640    HE1  HIS  93           HE1      HIS  93   5.358  19.588  -9.361
  641    H    PHE  94           H        PHE  94   5.646  13.534 -10.778
  642    HA   PHE  94           HA       PHE  94   7.250  15.432 -12.081
  643   1HB   PHE  94          2HB       PHE  94   7.912  13.266 -10.856
  644   2HB   PHE  94          3HB       PHE  94   7.657  12.441 -12.387
  645    HD1  PHE  94           HD2      PHE  94   9.156  12.983 -14.352
  646    HD2  PHE  94           HD1      PHE  94   9.754  14.806 -10.482
  647    HE1  PHE  94           HE2      PHE  94  11.400  13.765 -15.057
  648    HE2  PHE  94           HE1      PHE  94  11.989  15.590 -11.198
  649    HZ   PHE  94           HZ       PHE  94  12.825  15.058 -13.482
  650    H    ASN  95           H        ASN  95   5.363  12.789 -13.438
  651    HA   ASN  95           HA       ASN  95   5.976  13.000 -16.182
  652   1HB   ASN  95          2HB       ASN  95   3.691  11.898 -14.593
  653   2HB   ASN  95          3HB       ASN  95   3.501  12.095 -16.342
  654   1HD2  ASN  95          1HD2      ASN  95   5.931   9.153 -14.871
  655   2HD2  ASN  95          2HD2      ASN  95   5.254  10.379 -13.797
  656    H    ARG  96           H        ARG  96   3.426  14.598 -14.232
  657    HA   ARG  96           HA       ARG  96   2.284  16.101 -16.412
  658   1HB   ARG  96          2HB       ARG  96   2.093  16.177 -13.389
  659   2HB   ARG  96          3HB       ARG  96   1.315  17.415 -14.385
  660   1HG   ARG  96          2HG       ARG  96  -0.049  15.773 -15.496
  661   2HG   ARG  96          3HG       ARG  96   0.777  14.432 -14.680
  662   1HD   ARG  96          2HD       ARG  96  -0.664  16.653 -13.151
  663   2HD   ARG  96          3HD       ARG  96  -1.479  15.191 -13.702
  664    HE   ARG  96           HE       ARG  96   0.960  14.656 -12.217
  665   1HH1  ARG  96          2HH1      ARG  96  -2.539  15.143 -11.949
  666   2HH1  ARG  96          1HH1      ARG  96  -2.680  14.450 -10.355
  667   1HH2  ARG  96          2HH2      ARG  96   0.809  13.783 -10.103
  668   2HH2  ARG  96          1HH2      ARG  96  -0.753  13.472  -9.400
  669    H    PHE  97           H        PHE  97   4.753  16.896 -13.948
  670    HA   PHE  97           HA       PHE  97   4.796  19.725 -14.853
  671   1HB   PHE  97          2HB       PHE  97   5.885  18.313 -12.412
  672   2HB   PHE  97          3HB       PHE  97   6.307  19.962 -12.840
  673    HD1  PHE  97           HD2      PHE  97   3.119  17.941 -12.603
  674    HD2  PHE  97           HD1      PHE  97   5.184  21.580 -11.574
  675    HE1  PHE  97           HE2      PHE  97   1.124  18.729 -11.446
  676    HE2  PHE  97           HE1      PHE  97   3.229  22.284 -10.230
  677    HZ   PHE  97           HZ       PHE  97   1.196  20.836 -10.126
  678    H    HIS  98           H        HIS  98   7.423  17.496 -13.821
  679    HA   HIS  98           HA       HIS  98   9.360  19.192 -15.115
  680   1HB   HIS  98          2HB       HIS  98   9.607  16.489 -13.775
  681   2HB   HIS  98          3HB       HIS  98  10.969  17.500 -14.279
  682    HD1  HIS  98           HD1      HIS  98  11.051  20.018 -13.009
  683    HD2  HIS  98           HD2      HIS  98   8.561  17.035 -11.395
  684    HE1  HIS  98           HE1      HIS  98  10.407  20.780 -10.659
  685    H    ASN  99           H        ASN  99   7.830  16.115 -15.964
  686    HA   ASN  99           HA       ASN  99   9.644  15.543 -18.178
  687   1HB   ASN  99          2HB       ASN  99   8.546  13.661 -17.356
  688   2HB   ASN  99          3HB       ASN  99   7.037  14.547 -17.151
  689   1HD2  ASN  99          1HD2      ASN  99   5.686  13.682 -20.259
  690   2HD2  ASN  99          2HD2      ASN  99   5.458  14.475 -18.701
  691    H    ILE 100           H        ILE 100   6.684  17.497 -17.779
  692    HA   ILE 100           HA       ILE 100   6.426  17.917 -20.691
  693    HB   ILE 100           HB       ILE 100   5.136  19.347 -18.333
  694   1HG1  ILE 100          2HG1      ILE 100   4.404  17.052 -18.376
  695   2HG1  ILE 100          3HG1      ILE 100   3.103  18.102 -18.924
  696   1HG2  ILE 100          2HG2      ILE 100   4.590  19.534 -21.323
  697   2HG2  ILE 100          3HG2      ILE 100   3.515  20.167 -20.057
  698   3HG2  ILE 100          1HG2      ILE 100   5.143  20.825 -20.242
  699   1HD1  ILE 100          1HD1      ILE 100   3.597  17.450 -21.291
  700   2HD1  ILE 100          2HD1      ILE 100   4.851  16.334 -20.693
  701   3HD1  ILE 100          3HD1      ILE 100   3.159  16.083 -20.257
  702    H    LYS 101           H        LYS 101   7.503  19.811 -17.808
  703    HA   LYS 101           HA       LYS 101   8.580  21.947 -19.404
  704   1HB   LYS 101          2HB       LYS 101   7.883  22.132 -16.998
  705   2HB   LYS 101          3HB       LYS 101   9.220  21.076 -16.552
  706   1HG   LYS 101          2HG       LYS 101   9.747  23.423 -16.110
  707   2HG   LYS 101          3HG       LYS 101  10.864  22.716 -17.267
  708   1HD   LYS 101          2HD       LYS 101  10.216  25.018 -17.877
  709   2HD   LYS 101          3HD       LYS 101   9.807  23.859 -19.132
  710   1HE   LYS 101          2HE       LYS 101   8.015  25.530 -18.789
  711   2HE   LYS 101          3HE       LYS 101   7.428  23.901 -18.449
  712   1HZ   LYS 101          3HZ       LYS 101   8.299  25.859 -16.437
  713   2HZ   LYS 101          1HZ       LYS 101   6.738  25.472 -16.797
  714   3HZ   LYS 101          2HZ       LYS 101   7.729  24.343 -16.122
  715   1H5*    T   1          1H5*        T   1  -5.287  22.221 -17.516
  716   2H5*    T   1          2H5*        T   1  -3.834  21.230 -17.794
  717    H4*    T   1           H4*        T   1  -4.167  22.149 -15.398
  718    H3*    T   1           H3*        T   1  -3.479  19.372 -16.161
  719   1H2*    T   1          1H2*        T   1  -4.940  18.463 -14.683
  720   2H2*    T   1          2H2*        T   1  -3.904  19.071 -13.369
  721    H1*    T   1           H1*        T   1  -5.114  21.134 -13.226
  722    H3     T   1           H3         T   1  -8.584  19.732 -10.582
  723   1H5M    T   1          1H5M        T   1 -10.294  17.022 -13.974
  724   2H5M    T   1          2H5M        T   1 -10.326  18.362 -15.137
  725   3H5M    T   1          3H5M        T   1  -9.072  17.103 -15.254
  726    H6     T   1           H6         T   1  -7.316  18.803 -15.124
  727    H5T    T   1           H5T        T   1  -6.322  20.185 -16.978
  728   1H5*    T   2          1H5*        T   2  -2.129  21.235 -12.250
  729   2H5*    T   2          2H5*        T   2  -0.485  20.788 -11.776
  730    H4*    T   2           H4*        T   2  -1.991  20.708  -9.832
  731    H3*    T   2           H3*        T   2  -0.946  18.065 -10.845
  732   1H2*    T   2          1H2*        T   2  -2.641  16.941  -9.947
  733   2H2*    T   2          2H2*        T   2  -2.403  17.703  -8.337
  734    H1*    T   2           H1*        T   2  -3.876  19.385  -8.755
  735    H3     T   2           H3         T   2  -7.898  17.228  -8.738
  736   1H5M    T   2          1H5M        T   2  -5.999  14.920 -12.726
  737   2H5M    T   2          2H5M        T   2  -7.323  15.983 -13.233
  738   3H5M    T   2          3H5M        T   2  -5.647  16.430 -13.597
  739    H6     T   2           H6         T   2  -4.240  17.337 -11.842
  740   1H5*    G   3          1H5*        G   3  -0.584  19.016  -6.154
  741   2H5*    G   3          2H5*        G   3   0.865  18.187  -5.550
  742    H4*    G   3           H4*        G   3  -1.149  17.995  -4.072
  743    H3*    G   3           H3*        G   3   0.666  16.036  -4.358
  744   1H2*    G   3          1H2*        G   3  -0.484  15.016  -6.285
  745   2H2*    G   3          2H2*        G   3  -1.055  13.978  -4.958
  746    H1*    G   3           H1*        G   3  -2.987  15.365  -4.567
  747    H8     G   3           H8         G   3  -1.687  14.848  -8.166
  748    H1     G   3           H1         G   3  -8.044  14.295  -7.408
  749   1H2     G   3           H21        G   3  -8.521  14.693  -5.163
  750   2H2     G   3           H22        G   3  -7.238  15.184  -4.085
  751   1H5*    G   4          1H5*        G   4  -2.508  16.126  -1.029
  752   2H5*    G   4          2H5*        G   4  -1.850  15.445   0.470
  753    H4*    G   4           H4*        G   4  -4.294  15.294   0.443
  754    H3*    G   4           H3*        G   4  -2.651  13.129   1.012
  755   1H2*    G   4          1H2*        G   4  -2.841  12.104  -1.117
  756   2H2*    G   4          2H2*        G   4  -4.225  11.304  -0.335
  757    H1*    G   4           H1*        G   4  -5.770  12.889  -1.217
  758    H8     G   4           H8         G   4  -2.487  12.962  -3.362
  759    H1     G   4           H1         G   4  -7.728  11.086  -6.551
  760   1H2     G   4           H21        G   4  -9.410  10.717  -5.010
  761   2H2     G   4           H22        G   4  -9.219  11.277  -3.360
  762   1H5*    A   5          1H5*        A   5  -7.142  12.011   1.045
  763   2H5*    A   5          2H5*        A   5  -7.545  10.901   2.371
  764    H4*    A   5           H4*        A   5  -8.553  10.166   0.258
  765    H3*    A   5           H3*        A   5  -6.860   8.463   1.858
  766   1H2*    A   5          1H2*        A   5  -5.244   8.336   0.134
  767   2H2*    A   5          2H2*        A   5  -6.289   6.993  -0.411
  768    H1*    A   5           H1*        A   5  -7.635   8.560  -1.749
  769    H8     A   5           H8         A   5  -3.796   9.383  -1.558
  770   1H6     A   5           H61        A   5  -4.037   8.809  -7.725
  771   2H6     A   5           H62        A   5  -2.957   9.104  -6.375
  772    H2     A   5           H2         A   5  -8.060   7.951  -6.131
  773   1H5*    T   6          1H5*        T   6 -10.599   6.860  -0.777
  774   2H5*    T   6          2H5*        T   6 -11.198   5.388   0.017
  775    H4*    T   6           H4*        T   6 -11.519   5.318  -2.455
  776    H3*    T   6           H3*        T   6 -10.297   3.270  -0.896
  777   1H2*    T   6          1H2*        T   6  -8.225   3.589  -1.715
  778   2H2*    T   6          2H2*        T   6  -8.765   2.503  -3.012
  779    H1*    T   6           H1*        T   6  -9.512   4.353  -4.389
  780    H3     T   6           H3         T   6  -5.591   5.300  -6.542
  781   1H5M    T   6          1H5M        T   6  -4.377   6.524  -1.621
  782   2H5M    T   6          2H5M        T   6  -4.328   4.765  -1.425
  783   3H5M    T   6          3H5M        T   6  -3.215   5.580  -2.543
  784    H6     T   6           H6         T   6  -6.857   5.191  -1.909
  785   1H5*    G   7          1H5*        G   7 -12.267   1.690  -5.331
  786   2H5*    G   7          2H5*        G   7 -12.602  -0.010  -4.944
  787    H4*    G   7           H4*        G   7 -11.919   0.272  -7.286
  788    H3*    G   7           H3*        G   7 -10.694  -1.633  -5.507
  789   1H2*    G   7          1H2*        G   7  -8.648  -0.638  -5.523
  790   2H2*    G   7          2H2*        G   7  -8.425  -1.550  -7.028
  791    H1*    G   7           H1*        G   7  -9.101   0.327  -8.394
  792    H8     G   7           H8         G   7  -8.201   1.737  -4.927
  793    H1     G   7           H1         G   7  -3.450   2.275  -9.189
  794   1H2     G   7           H21        G   7  -4.182   1.517 -11.225
  795   2H2     G   7           H22        G   7  -5.795   0.845 -11.370
  796   1H5*    G   8          1H5*        G   8  -9.717  -1.769 -10.081
  797   2H5*    G   8          2H5*        G   8  -9.980  -3.441 -10.623
  798    H4*    G   8           H4*        G   8  -8.103  -2.485 -11.822
  799    H3*    G   8           H3*        G   8  -7.934  -4.936 -10.366
  800   1H2*    G   8          1H2*        G   8  -6.544  -3.948  -8.718
  801   2H2*    G   8          2H2*        G   8  -5.269  -4.526  -9.805
  802    H1*    G   8           H1*        G   8  -5.288  -2.380 -11.017
  803    H8     G   8           H8         G   8  -6.292  -2.011  -7.278
  804    H1     G   8           H1         G   8  -0.369   0.056  -8.659
  805   1H2     G   8           H21        G   8   0.066  -0.425 -10.896
  806   2H2     G   8           H22        G   8  -1.189  -1.149 -11.894
  807   1H5*    G   9          1H5*        G   9  -4.520  -3.419 -13.364
  808   2H5*    G   9          2H5*        G   9  -4.390  -4.807 -14.461
  809    H4*    G   9           H4*        G   9  -2.276  -3.714 -14.464
  810    H3*    G   9           H3*        G   9  -2.525  -6.443 -13.840
  811   1H2*    G   9          1H2*        G   9  -2.277  -5.992 -11.469
  812   2H2*    G   9          2H2*        G   9  -0.621  -6.429 -11.927
  813    H1*    G   9           H1*        G   9  -0.074  -4.093 -12.380
  814    H8     G   9           H8         G   9  -2.758  -4.479  -9.552
  815    H1     G   9           H1         G   9   2.893  -2.096  -7.650
  816   1H2     G   9           H21        G   9   4.306  -1.979  -9.508
  817   2H2     G   9           H22        G   9   3.706  -2.445 -11.094
  818   1H5*    A  10          1H5*        A  10   1.738  -4.304 -14.606
  819   2H5*    A  10          2H5*        A  10   2.412  -5.403 -15.824
  820    H4*    A  10           H4*        A  10   4.205  -4.214 -14.722
  821    H3*    A  10           H3*        A  10   4.074  -7.052 -14.911
  822   1H2*    A  10          1H2*        A  10   3.796  -7.397 -12.632
  823   2H2*    A  10          2H2*        A  10   5.572  -7.304 -12.601
  824    H1*    A  10           H1*        A  10   5.527  -4.953 -12.037
  825    H8     A  10           H8         A  10   2.113  -6.544 -11.160
  826   1H6     A  10           H61        A  10   3.156  -4.842  -5.347
  827   2H6     A  10           H62        A  10   2.074  -5.632  -6.482
  828    H2     A  10           H2         A  10   6.781  -3.768  -7.782
  829   1H5*    G  11          1H5*        G  11   7.931  -5.163 -13.428
  830   2H5*    G  11          2H5*        G  11   9.415  -5.950 -14.006
  831    H4*    G  11           H4*        G  11   9.484  -5.434 -11.591
  832    H3*    G  11           H3*        G  11  10.040  -8.056 -12.687
  833   1H2*    G  11          1H2*        G  11   8.225  -9.015 -11.480
  834   2H2*    G  11          2H2*        G  11   9.463  -9.100 -10.187
  835    H1*    G  11           H1*        G  11   8.844  -6.851  -9.425
  836    H8     G  11           H8         G  11   5.792  -8.961 -10.753
  837    H1     G  11           H1         G  11   5.565  -7.117  -4.591
  838   1H2     G  11           H21        G  11   7.529  -6.017  -4.121
  839   2H2     G  11           H22        G  11   8.604  -5.551  -5.419
  840   1H5*    A  12          1H5*        A  12  12.722  -5.635  -9.715
  841   2H5*    A  12          2H5*        A  12  14.390  -6.227  -9.835
  842    H4*    A  12           H4*        A  12  13.905  -5.137  -7.666
  843    H3*    A  12           H3*        A  12  15.275  -7.532  -7.902
  844   1H2*    A  12          1H2*        A  12  13.411  -8.923  -7.444
  845   2H2*    A  12          2H2*        A  12  14.039  -8.753  -5.792
  846    H1*    A  12           H1*        A  12  12.534  -6.969  -5.280
  847    H8     A  12           H8         A  12  11.126  -8.957  -8.351
  848   1H6     A  12           H61        A  12   6.364 -10.377  -4.788
  849   2H6     A  12           H62        A  12   7.204 -10.604  -6.320
  850    H2     A  12           H2         A  12   9.213  -7.933  -2.307
  851   1H5*    C  13          1H5*        C  13  14.378  -6.294  -3.505
  852   2H5*    C  13          2H5*        C  13  15.764  -6.578  -2.431
  853    H4*    C  13           H4*        C  13  13.605  -7.309  -1.445
  854    H3*    C  13           H3*        C  13  15.904  -9.140  -1.785
  855   1H2*    C  13          1H2*        C  13  14.572 -10.828  -2.578
  856   2H2*    C  13          2H2*        C  13  13.938 -10.966  -0.919
  857    H1*    C  13           H1*        C  13  12.163  -9.405  -1.361
  858   1H4     C  13           H41        C  13   9.722 -12.783  -6.576
  859   2H4     C  13           H42        C  13   8.568 -12.893  -5.264
  860    H5     C  13           H5         C  13  11.981 -11.806  -6.251
  861    H6     C  13           H6         C  13  13.363 -10.582  -4.691
  862   1H5*    C  14          1H5*        C  14  12.937  -9.652   1.706
  863   2H5*    C  14          2H5*        C  14  13.670 -10.286   3.195
  864    H4*    C  14           H4*        C  14  11.531 -11.429   2.535
  865    H3*    C  14           H3*        C  14  14.080 -12.956   2.848
  866   1H2*    C  14          1H2*        C  14  13.477 -14.453   1.262
  867   2H2*    C  14          2H2*        C  14  12.026 -14.877   2.209
  868    H1*    C  14           H1*        C  14  10.657 -13.318   1.143
  869   1H4     C  14           H41        C  14  12.477 -14.770  -5.105
  870   2H4     C  14           H42        C  14  10.836 -15.347  -4.864
  871    H5     C  14           H5         C  14  13.806 -13.812  -3.252
  872    H6     C  14           H6         C  14  13.695 -13.156  -0.894
  873   1H5*    G  15          1H5*        G  15  10.102 -14.739   4.259
  874   2H5*    G  15          2H5*        G  15  10.267 -15.761   5.701
  875    H4*    G  15           H4*        G  15   8.890 -16.834   3.958
  876    H3*    G  15           H3*        G  15  11.321 -18.121   5.026
  877   1H2*    G  15          1H2*        G  15  12.123 -18.603   2.933
  878   2H2*    G  15          2H2*        G  15  10.873 -19.877   2.902
  879    H1*    G  15           H1*        G  15   9.285 -18.381   1.843
  880    H8     G  15           H8         G  15  12.996 -17.395   1.074
  881    H1     G  15           H1         G  15   9.388 -18.638  -4.098
  882   1H2     G  15           H21        G  15   7.295 -19.307  -3.389
  883   2H2     G  15           H22        G  15   6.918 -19.346  -1.682
  884    H3T    G  15           H3T        G  15   8.788 -19.098   4.155
  885   1H5*    C  16          1H5*        C  16   5.206 -22.973 -10.246
  886   2H5*    C  16          2H5*        C  16   3.891 -22.022 -10.964
  887    H4*    C  16           H4*        C  16   4.210 -21.778  -8.413
  888    H3*    C  16           H3*        C  16   4.152 -19.444 -10.312
  889   1H2*    C  16          1H2*        C  16   5.391 -18.172  -8.948
  890   2H2*    C  16          2H2*        C  16   4.305 -18.485  -7.561
  891    H1*    C  16           H1*        C  16   5.462 -20.337  -6.830
  892   1H4     C  16           H41        C  16  11.489 -17.429  -7.338
  893   2H4     C  16           H42        C  16  11.180 -17.693  -5.635
  894    H5     C  16           H5         C  16   9.851 -17.974  -9.076
  895    H6     C  16           H6         C  16   7.680 -18.942  -9.487
  896    H5T    C  16           H5T        C  16   6.534 -21.090 -10.683
  897   1H5*    G  17          1H5*        G  17   1.911 -20.051  -6.393
  898   2H5*    G  17          2H5*        G  17   0.316 -19.277  -6.376
  899    H4*    G  17           H4*        G  17   1.424 -19.268  -4.156
  900    H3*    G  17           H3*        G  17   0.123 -17.067  -5.244
  901   1H2*    G  17          1H2*        G  17   2.124 -16.058  -6.026
  902   2H2*    G  17          2H2*        G  17   1.944 -15.224  -4.471
  903    H1*    G  17           H1*        G  17   3.289 -16.898  -3.324
  904    H8     G  17           H8         G  17   4.230 -16.232  -7.054
  905    H1     G  17           H1         G  17   9.042 -15.557  -2.870
  906   1H2     G  17           H21        G  17   8.188 -15.861  -0.725
  907   2H2     G  17           H22        G  17   6.497 -16.256  -0.506
  908   1H5*    G  18          1H5*        G  18   1.097 -17.304  -0.517
  909   2H5*    G  18          2H5*        G  18  -0.271 -16.516   0.289
  910    H4*    G  18           H4*        G  18   1.784 -16.386   1.626
  911    H3*    G  18           H3*        G  18   0.111 -14.227   1.228
  912   1H2*    G  18          1H2*        G  18   1.347 -13.316  -0.562
  913   2H2*    G  18          2H2*        G  18   2.077 -12.401   0.773
  914    H1*    G  18           H1*        G  18   3.923 -13.921   0.954
  915    H8     G  18           H8         G  18   2.255 -14.145  -2.564
  916    H1     G  18           H1         G  18   8.399 -12.317  -2.696
  917   1H2     G  18           H21        G  18   9.061 -11.881  -0.521
  918   2H2     G  18           H22        G  18   8.064 -12.416   0.820
  919   1H5*    T  19          1H5*        T  19   4.137 -13.338   3.680
  920   2H5*    T  19          2H5*        T  19   3.684 -12.325   5.068
  921    H4*    T  19           H4*        T  19   5.869 -11.666   4.188
  922    H3*    T  19           H3*        T  19   3.681  -9.825   4.529
  923   1H2*    T  19          1H2*        T  19   3.570  -9.406   2.260
  924   2H2*    T  19          2H2*        T  19   4.811  -8.201   2.620
  925    H1*    T  19           H1*        T  19   6.595  -9.856   2.168
  926    H3     T  19           H3         T  19   7.008  -9.411  -2.408
  927   1H5M    T  19          1H5M        T  19   2.037 -11.278  -1.418
  928   2H5M    T  19          2H5M        T  19   2.035  -9.660  -2.135
  929   3H5M    T  19          3H5M        T  19   2.676 -11.046  -3.055
  930    H6     T  19           H6         T  19   3.390 -10.637   0.490
  931   1H5*    C  20          1H5*        C  20   7.800  -8.016   3.786
  932   2H5*    C  20          2H5*        C  20   8.098  -6.431   4.526
  933    H4*    C  20           H4*        C  20   8.633  -6.579   2.083
  934    H3*    C  20           H3*        C  20   6.496  -4.626   2.960
  935   1H2*    C  20          1H2*        C  20   5.867  -4.332   0.808
  936   2H2*    C  20          2H2*        C  20   7.555  -4.233   0.216
  937    H1*    C  20           H1*        C  20   7.785  -6.476  -0.104
  938   1H4     C  20           H41        C  20   1.944  -7.496  -3.182
  939   2H4     C  20           H42        C  20   3.235  -7.498  -4.371
  940    H5     C  20           H5         C  20   2.428  -7.143  -0.750
  941    H6     C  20           H6         C  20   4.193  -6.686   0.841
  942   1H5*    T  21          1H5*        T  21  10.368  -3.702   0.699
  943   2H5*    T  21          2H5*        T  21  10.987  -2.054   0.929
  944    H4*    T  21           H4*        T  21  11.217  -2.926  -1.407
  945    H3*    T  21           H3*        T  21  10.242  -0.341  -0.700
  946   1H2*    T  21          1H2*        T  21   8.071  -0.769  -1.397
  947   2H2*    T  21          2H2*        T  21   8.705  -0.261  -2.980
  948    H1*    T  21           H1*        T  21   9.310  -2.537  -3.563
  949    H3     T  21           H3         T  21   5.357  -3.983  -5.319
  950   1H5M    T  21          1H5M        T  21   3.237  -2.358  -1.337
  951   2H5M    T  21          2H5M        T  21   3.568  -4.017  -0.819
  952   3H5M    T  21          3H5M        T  21   4.462  -2.660  -0.097
  953    H6     T  21           H6         T  21   6.631  -2.409  -0.963
  954   1H5*    C  22          1H5*        C  22  11.088  -0.876  -5.375
  955   2H5*    C  22          2H5*        C  22  11.623   0.671  -6.060
  956    H4*    C  22           H4*        C  22   9.852  -0.412  -7.394
  957    H3*    C  22           H3*        C  22   9.279   2.254  -6.146
  958   1H2*    C  22          1H2*        C  22   7.064   1.844  -6.141
  959   2H2*    C  22          2H2*        C  22   7.059   1.536  -7.893
  960    H1*    C  22           H1*        C  22   7.513  -0.754  -7.654
  961   1H4     C  22           H41        C  22   2.263  -1.126  -3.483
  962   2H4     C  22           H42        C  22   1.772  -1.746  -5.055
  963    H5     C  22           H5         C  22   4.525  -0.188  -3.122
  964    H6     C  22           H6         C  22   6.664   0.224  -4.174
  965   1H5*    C  23          1H5*        C  23   8.191   1.477 -10.632
  966   2H5*    C  23          2H5*        C  23   8.049   2.995 -11.551
  967    H4*    C  23           H4*        C  23   6.152   1.483 -11.934
  968    H3*    C  23           H3*        C  23   5.534   4.056 -10.468
  969   1H2*    C  23          1H2*        C  23   3.398   3.382 -10.213
  970   2H2*    C  23          2H2*        C  23   3.328   2.523 -11.792
  971    H1*    C  23           H1*        C  23   3.989   0.551 -10.959
  972   1H4     C  23           H41        C  23   1.162   1.426  -4.927
  973   2H4     C  23           H42        C  23  -0.027   0.649  -5.957
  974    H5     C  23           H5         C  23   3.302   2.263  -5.841
  975    H6     C  23           H6         C  23   4.673   2.367  -7.837
  976   1H5*    C  24          1H5*        C  24   3.572   2.585 -14.276
  977   2H5*    C  24          2H5*        C  24   3.395   3.923 -15.427
  978    H4*    C  24           H4*        C  24   1.525   2.349 -15.606
  979    H3*    C  24           H3*        C  24   1.266   5.168 -15.278
  980   1H2*    C  24          1H2*        C  24   0.288   5.075 -13.197
  981   2H2*    C  24          2H2*        C  24  -1.209   4.808 -14.126
  982    H1*    C  24           H1*        C  24  -1.058   2.430 -13.889
  983   1H4     C  24           H41        C  24  -0.184   3.063  -7.256
  984   2H4     C  24           H42        C  24  -1.846   2.605  -7.439
  985    H5     C  24           H5         C  24   1.282   3.496  -9.105
  986    H6     C  24           H6         C  24   1.458   3.672 -11.503
  987   1H5*    A  25          1H5*        A  25  -2.563   2.874 -16.115
  988   2H5*    A  25          2H5*        A  25  -3.514   3.596 -17.432
  989    H4*    A  25           H4*        A  25  -4.942   2.905 -15.538
  990    H3*    A  25           H3*        A  25  -4.861   5.648 -16.585
  991   1H2*    A  25          1H2*        A  25  -4.540   6.579 -14.505
  992   2H2*    A  25          2H2*        A  25  -6.269   6.225 -14.246
  993    H1*    A  25           H1*        A  25  -5.771   4.124 -13.204
  994    H8     A  25           H8         A  25  -2.467   6.197 -12.942
  995   1H6     A  25           H61        A  25  -3.289   5.875  -6.842
  996   2H6     A  25           H62        A  25  -2.203   6.300  -8.154
  997    H2     A  25           H2         A  25  -7.002   4.336  -8.805
  998   1H5*    T  26          1H5*        T  26  -8.459   3.691 -14.557
  999   2H5*    T  26          2H5*        T  26 -10.041   4.181 -15.203
 1000    H4*    T  26           H4*        T  26  -9.965   3.998 -12.697
 1001    H3*    T  26           H3*        T  26 -10.786   6.462 -14.145
 1002   1H2*    T  26          1H2*        T  26  -9.776   7.843 -12.658
 1003   2H2*    T  26          2H2*        T  26 -10.890   7.246 -11.399
 1004    H1*    T  26           H1*        T  26  -9.414   5.554 -10.688
 1005    H3     T  26           H3         T  26  -6.563   8.053  -8.149
 1006   1H5M    T  26          1H5M        T  26  -5.031  10.100 -12.218
 1007   2H5M    T  26          2H5M        T  26  -4.000   8.665 -12.142
 1008   3H5M    T  26          3H5M        T  26  -5.265   8.782 -13.384
 1009    H6     T  26           H6         T  26  -7.237   7.613 -12.875
 1010   1H5*    C  27          1H5*        C  27 -12.646   5.130 -10.201
 1011   2H5*    C  27          2H5*        C  27 -14.388   5.458 -10.074
 1012    H4*    C  27           H4*        C  27 -13.152   6.014  -7.992
 1013    H3*    C  27           H3*        C  27 -14.868   7.894  -9.419
 1014   1H2*    C  27          1H2*        C  27 -13.228   9.506  -9.567
 1015   2H2*    C  27          2H2*        C  27 -13.599   9.826  -7.857
 1016    H1*    C  27           H1*        C  27 -11.916   8.259  -7.108
 1017   1H4     C  27           H41        C  27  -7.062  11.467 -10.475
 1018   2H4     C  27           H42        C  27  -6.619  11.424  -8.789
 1019    H5     C  27           H5         C  27  -9.150  10.422 -11.304
 1020    H6     C  27           H6         C  27 -11.181   9.311 -10.628
 1021   1H5*    C  28          1H5*        C  28 -14.118   8.688  -4.888
 1022   2H5*    C  28          2H5*        C  28 -15.513   9.464  -4.105
 1023    H4*    C  28           H4*        C  28 -13.386  10.648  -3.627
 1024    H3*    C  28           H3*        C  28 -15.471  12.092  -5.274
 1025   1H2*    C  28          1H2*        C  28 -13.966  13.608  -5.970
 1026   2H2*    C  28          2H2*        C  28 -13.281  13.829  -4.333
 1027    H1*    C  28           H1*        C  28 -11.705  12.210  -4.546
 1028   1H4     C  28           H41        C  28  -9.817  13.448 -10.825
 1029   2H4     C  28           H42        C  28  -8.544  14.025  -9.777
 1030    H5     C  28           H5         C  28 -11.969  12.599  -9.966
 1031    H6     C  28           H6         C  28 -13.197  12.069  -7.936
 1032   1H5*    A  29          1H5*        A  29 -13.520  13.725  -1.506
 1033   2H5*    A  29          2H5*        A  29 -14.566  14.794  -0.551
 1034    H4*    A  29           H4*        A  29 -12.180  15.530  -0.718
 1035    H3*    A  29           H3*        A  29 -14.430  17.221  -0.934
 1036   1H2*    A  29          1H2*        A  29 -14.237  17.483  -3.250
 1037   2H2*    A  29          2H2*        A  29 -13.188  18.839  -2.773
 1038    H1*    A  29           H1*        A  29 -11.201  17.471  -2.914
 1039    H8     A  29           H8         A  29 -14.160  16.477  -5.266
 1040   1H6     A  29           H61        A  29  -9.992  16.475  -9.820
 1041   2H6     A  29           H62        A  29 -11.678  16.251  -9.364
 1042    H2     A  29           H2         A  29  -7.902  17.657  -6.035
 1043   1H5*    A  30          1H5*        A  30  -9.993  18.815  -0.547
 1044   2H5*    A  30          2H5*        A  30  -9.942  20.308   0.415
 1045    H4*    A  30           H4*        A  30  -8.267  20.302  -1.407
 1046    H3*    A  30           H3*        A  30 -10.173  22.446  -0.980
 1047   1H2*    A  30          1H2*        A  30 -11.144  22.178  -3.092
 1048   2H2*    A  30          2H2*        A  30  -9.746  23.167  -3.615
 1049    H1*    A  30           H1*        A  30  -8.433  21.159  -4.064
 1050    H8     A  30           H8         A  30 -12.250  20.325  -4.370
 1051   1H6     A  30           H61        A  30 -11.088  19.289 -10.317
 1052   2H6     A  30           H62        A  30 -12.297  19.384  -9.039
 1053    H2     A  30           H2         A  30  -7.277  20.702  -8.416
 1054    H3T    A  30           H3T        A  30  -8.381  23.648  -1.668
   
  No H/Q in entry =        1054
  Start of MODEL   21
    1    H    MET   1           H        MET   1   4.549 -20.532 -13.616
    2    HA   MET   1           HA       MET   1   4.817 -22.060 -11.280
    3   1HB   MET   1          2HB       MET   1   4.549 -20.230  -9.605
    4   2HB   MET   1          3HB       MET   1   6.111 -20.207 -10.434
    5   1HG   MET   1          2HG       MET   1   5.108 -18.410 -11.984
    6   2HG   MET   1          3HG       MET   1   3.711 -18.406 -10.908
    7   1HE   MET   1          1HE       MET   1   7.395 -17.369 -11.513
    8   2HE   MET   1          2HE       MET   1   7.936 -16.834  -9.907
    9   3HE   MET   1          3HE       MET   1   7.669 -18.561 -10.222
   10    H    LYS  11           H        LYS  11   2.713 -22.026 -10.068
   11    HA   LYS  11           HA       LYS  11   0.591 -22.126 -11.954
   12   1HB   LYS  11          2HB       LYS  11   0.919 -23.545  -9.879
   13   2HB   LYS  11          3HB       LYS  11   0.305 -22.171  -8.938
   14   1HG   LYS  11          2HG       LYS  11  -1.856 -22.312 -10.225
   15   2HG   LYS  11          3HG       LYS  11  -1.165 -23.606 -11.207
   16   1HD   LYS  11          2HD       LYS  11  -2.635 -24.546  -9.526
   17   2HD   LYS  11          3HD       LYS  11  -0.971 -25.056  -9.224
   18   1HE   LYS  11          2HE       LYS  11  -2.170 -24.452  -7.138
   19   2HE   LYS  11          3HE       LYS  11  -0.758 -23.430  -7.392
   20   1HZ   LYS  11          1HZ       LYS  11  -2.240 -21.742  -8.260
   21   2HZ   LYS  11          2HZ       LYS  11  -3.551 -22.705  -7.981
   22   3HZ   LYS  11          3HZ       LYS  11  -2.628 -22.159  -6.720
   23    H    ARG  12           H        ARG  12  -1.387 -21.009 -12.062
   24    HA   ARG  12           HA       ARG  12  -1.381 -18.216 -11.065
   25   1HB   ARG  12          2HB       ARG  12  -2.625 -19.341 -13.574
   26   2HB   ARG  12          3HB       ARG  12  -2.937 -17.752 -12.892
   27   1HG   ARG  12          2HG       ARG  12  -1.405 -17.364 -14.615
   28   2HG   ARG  12          3HG       ARG  12  -0.521 -17.154 -13.099
   29   1HD   ARG  12          2HD       ARG  12   0.802 -18.399 -14.781
   30   2HD   ARG  12          3HD       ARG  12   0.467 -19.340 -13.329
   31    HE   ARG  12           HE       ARG  12  -1.472 -19.662 -15.516
   32   1HH1  ARG  12          2HH2      ARG  12   1.553 -20.949 -14.156
   33   2HH1  ARG  12          1HH2      ARG  12   1.423 -22.463 -15.008
   34   1HH2  ARG  12          1HH1      ARG  12  -1.655 -21.654 -16.561
   35   2HH2  ARG  12          2HH1      ARG  12  -0.435 -22.883 -16.367
   36    H    TYR  13           H        TYR  13  -3.273 -17.493 -10.043
   37    HA   TYR  13           HA       TYR  13  -5.369 -19.483  -9.360
   38   1HB   TYR  13          2HB       TYR  13  -5.040 -16.524  -8.662
   39   2HB   TYR  13          3HB       TYR  13  -6.380 -17.555  -8.170
   40    HD1  TYR  13           HD1      TYR  13  -2.712 -17.042  -7.830
   41    HD2  TYR  13           HD2      TYR  13  -6.212 -19.010  -6.271
   42    HE1  TYR  13           HE1      TYR  13  -1.415 -17.773  -5.857
   43    HE2  TYR  13           HE2      TYR  13  -4.920 -19.716  -4.274
   44    HH   TYR  13           HH       TYR  13  -1.423 -19.237  -4.055
   45    H    ILE  14           H        ILE  14  -7.345 -19.428 -10.493
   46    HA   ILE  14           HA       ILE  14  -7.450 -17.629 -12.864
   47    HB   ILE  14           HB       ILE  14  -8.661 -20.387 -12.505
   48   1HG1  ILE  14          2HG1      ILE  14  -6.074 -19.355 -13.712
   49   2HG1  ILE  14          3HG1      ILE  14  -6.296 -20.673 -12.554
   50   1HG2  ILE  14          3HG2      ILE  14  -9.893 -18.900 -14.101
   51   2HG2  ILE  14          1HG2      ILE  14  -8.365 -18.607 -14.963
   52   3HG2  ILE  14          2HG2      ILE  14  -9.097 -20.227 -14.920
   53   1HD1  ILE  14          1HD1      ILE  14  -7.420 -21.979 -14.415
   54   2HD1  ILE  14          2HD1      ILE  14  -6.916 -20.664 -15.522
   55   3HD1  ILE  14          3HD1      ILE  14  -5.696 -21.611 -14.661
   56    H    CYS  15           H        CYS  15  -9.259 -16.538 -13.351
   57    HA   CYS  15           HA       CYS  15 -10.980 -15.688 -11.237
   58   1HB   CYS  15          2HB       CYS  15 -10.381 -14.225 -12.994
   59   2HB   CYS  15          3HB       CYS  15 -10.937 -15.348 -14.238
   60    H    SER  16           H        SER  16 -12.609 -16.817 -10.345
   61    HA   SER  16           HA       SER  16 -13.618 -19.205 -10.921
   62   1HB   SER  16          2HB       SER  16 -15.410 -16.984  -9.892
   63   2HB   SER  16          3HB       SER  16 -15.258 -18.659  -9.325
   64    HG   SER  16           HG       SER  16 -14.157 -17.211  -7.925
   65    H    PHE  17           H        PHE  17 -14.765 -16.152 -12.297
   66    HA   PHE  17           HA       PHE  17 -17.034 -17.274 -13.722
   67   1HB   PHE  17          2HB       PHE  17 -15.632 -14.601 -14.047
   68   2HB   PHE  17          3HB       PHE  17 -17.219 -15.033 -14.654
   69    HD1  PHE  17           HD1      PHE  17 -19.146 -15.319 -13.093
   70    HD2  PHE  17           HD2      PHE  17 -15.267 -14.093 -11.650
   71    HE1  PHE  17           HE1      PHE  17 -20.123 -14.806 -10.875
   72    HE2  PHE  17           HE2      PHE  17 -16.227 -13.718  -9.403
   73    HZ   PHE  17           HZ       PHE  17 -18.666 -14.038  -9.018
   74    H    ALA  18           H        ALA  18 -15.439 -18.994 -14.472
   75    HA   ALA  18           HA       ALA  18 -13.428 -19.282 -15.971
   76   1HB   ALA  18          3HB       ALA  18 -15.061 -21.058 -15.636
   77   2HB   ALA  18          1HB       ALA  18 -16.125 -20.363 -16.877
   78   3HB   ALA  18          2HB       ALA  18 -14.536 -21.019 -17.330
   79    H    ASP  19           H        ASP  19 -16.341 -18.271 -17.802
   80    HA   ASP  19           HA       ASP  19 -15.361 -17.956 -20.323
   81   1HB   ASP  19          2HB       ASP  19 -17.285 -16.063 -18.904
   82   2HB   ASP  19          3HB       ASP  19 -17.115 -16.258 -20.654
   83    H    CYS  20           H        CYS  20 -14.905 -15.660 -17.653
   84    HA   CYS  20           HA       CYS  20 -13.912 -13.426 -19.024
   85   1HB   CYS  20          2HB       CYS  20 -14.592 -13.574 -16.630
   86   2HB   CYS  20          3HB       CYS  20 -13.137 -14.529 -16.308
   87    H    GLY  21           H        GLY  21 -12.281 -16.456 -18.092
   88   1HA   GLY  21          2HA       GLY  21 -10.239 -17.316 -18.572
   89   2HA   GLY  21          3HA       GLY  21 -10.215 -16.244 -19.978
   90    H    ALA  22           H        ALA  22 -10.360 -14.852 -16.737
   91    HA   ALA  22           HA       ALA  22  -7.676 -13.667 -17.126
   92   1HB   ALA  22          2HB       ALA  22  -9.829 -13.155 -15.041
   93   2HB   ALA  22          3HB       ALA  22  -8.292 -12.278 -15.189
   94   3HB   ALA  22          1HB       ALA  22  -9.495 -12.182 -16.492
   95    H    ALA  23           H        ALA  23  -5.899 -14.130 -15.778
   96    HA   ALA  23           HA       ALA  23  -6.234 -15.832 -13.449
   97   1HB   ALA  23          1HB       ALA  23  -6.194 -17.482 -15.312
   98   2HB   ALA  23          2HB       ALA  23  -4.685 -16.764 -15.913
   99   3HB   ALA  23          3HB       ALA  23  -4.713 -17.586 -14.341
  100    H    TYR  24           H        TYR  24  -4.393 -15.630 -12.050
  101    HA   TYR  24           HA       TYR  24  -1.998 -14.259 -13.058
  102   1HB   TYR  24          2HB       TYR  24  -3.314 -12.993 -10.659
  103   2HB   TYR  24          3HB       TYR  24  -2.016 -12.396 -11.660
  104    HD1  TYR  24           HD2      TYR  24  -5.682 -13.016 -11.603
  105    HD2  TYR  24           HD1      TYR  24  -2.477 -10.980 -13.608
  106    HE1  TYR  24           HE2      TYR  24  -7.333 -11.592 -12.768
  107    HE2  TYR  24           HE1      TYR  24  -4.115  -9.514 -14.741
  108    HH   TYR  24           HH       TYR  24  -6.352  -8.952 -14.981
  109    H    ASN  25           H        ASN  25  -0.206 -14.614 -11.743
  110    HA   ASN  25           HA       ASN  25  -0.254 -16.917  -9.985
  111   1HB   ASN  25          2HB       ASN  25   1.715 -16.560 -11.287
  112   2HB   ASN  25          3HB       ASN  25   1.845 -14.868 -10.769
  113   1HD2  ASN  25          1HD2      ASN  25   2.653 -17.752  -7.936
  114   2HD2  ASN  25          2HD2      ASN  25   1.419 -18.052  -9.164
  115    H    LYS  26           H        LYS  26   0.530 -13.597  -9.414
  116    HA   LYS  26           HA       LYS  26   0.745 -13.879  -6.552
  117   1HB   LYS  26          2HB       LYS  26   0.655 -11.450  -8.374
  118   2HB   LYS  26          3HB       LYS  26   0.949 -11.350  -6.646
  119   1HG   LYS  26          2HG       LYS  26   2.663 -12.981  -8.579
  120   2HG   LYS  26          3HG       LYS  26   3.026 -11.338  -8.095
  121   1HD   LYS  26          2HD       LYS  26   2.908 -13.779  -6.230
  122   2HD   LYS  26          3HD       LYS  26   4.346 -12.977  -6.804
  123   1HE   LYS  26          2HE       LYS  26   2.314 -11.773  -4.906
  124   2HE   LYS  26          3HE       LYS  26   3.974 -12.266  -4.580
  125   1HZ   LYS  26          2HZ       LYS  26   4.729 -10.623  -6.141
  126   2HZ   LYS  26          3HZ       LYS  26   3.195 -10.077  -6.373
  127   3HZ   LYS  26          1HZ       LYS  26   3.906  -9.948  -4.889
  128    H    ASN  27           H        ASN  27  -1.203 -14.893  -6.219
  129    HA   ASN  27           HA       ASN  27  -3.699 -14.759  -6.251
  130   1HB   ASN  27          2HB       ASN  27  -2.481 -15.826  -4.370
  131   2HB   ASN  27          3HB       ASN  27  -2.320 -14.250  -3.591
  132   1HD2  ASN  27          1HD2      ASN  27  -6.031 -16.067  -3.675
  133   2HD2  ASN  27          2HD2      ASN  27  -4.824 -16.539  -4.858
  134    H    TRP  28           H        TRP  28  -2.349 -12.082  -4.227
  135    HA   TRP  28           HA       TRP  28  -4.650 -10.697  -3.634
  136   1HB   TRP  28          2HB       TRP  28  -3.273  -8.772  -3.320
  137   2HB   TRP  28          3HB       TRP  28  -2.471 -10.205  -2.741
  138    HD1  TRP  28           HD1      TRP  28  -0.105 -10.634  -3.501
  139    HE1  TRP  28           HE1      TRP  28   1.581  -9.505  -5.049
  140    HE3  TRP  28           HE3      TRP  28  -3.246  -7.351  -5.918
  141    HZ2  TRP  28           HZ2      TRP  28   1.555  -7.572  -7.188
  142    HZ3  TRP  28           HZ3      TRP  28  -2.391  -5.971  -7.774
  143    HH2  TRP  28           HH2      TRP  28  -0.001  -6.051  -8.402
  144    H    LYS  29           H        LYS  29  -2.872 -10.565  -6.705
  145    HA   LYS  29           HA       LYS  29  -4.301  -8.398  -7.895
  146   1HB   LYS  29          2HB       LYS  29  -2.049  -9.412  -8.466
  147   2HB   LYS  29          3HB       LYS  29  -2.908 -10.730  -9.269
  148   1HG   LYS  29          2HG       LYS  29  -3.976  -9.082 -10.796
  149   2HG   LYS  29          3HG       LYS  29  -3.120  -7.757  -9.989
  150   1HD   LYS  29          2HD       LYS  29  -1.722 -10.127 -11.304
  151   2HD   LYS  29          3HD       LYS  29  -2.074  -8.620 -12.154
  152   1HE   LYS  29          2HE       LYS  29  -0.643  -7.360 -10.592
  153   2HE   LYS  29          3HE       LYS  29  -0.335  -8.818  -9.638
  154   1HZ   LYS  29          2HZ       LYS  29   0.448  -8.460 -12.428
  155   2HZ   LYS  29          3HZ       LYS  29   1.432  -8.381 -11.106
  156   3HZ   LYS  29          1HZ       LYS  29   0.706  -9.803 -11.508
  157    H    LEU  30           H        LEU  30  -4.815 -11.920  -7.790
  158    HA   LEU  30           HA       LEU  30  -7.058 -11.884  -9.625
  159   1HB   LEU  30          2HB       LEU  30  -5.613 -13.759  -9.532
  160   2HB   LEU  30          3HB       LEU  30  -5.881 -14.018  -7.813
  161    HG   LEU  30           HG       LEU  30  -6.909 -15.562  -9.553
  162   1HD1  LEU  30          3HD1      LEU  30  -7.493 -15.612  -7.216
  163   2HD1  LEU  30          1HD1      LEU  30  -8.791 -14.414  -7.479
  164   3HD1  LEU  30          2HD1      LEU  30  -8.877 -16.015  -8.254
  165   1HD2  LEU  30          1HD2      LEU  30  -7.665 -13.805 -11.059
  166   2HD2  LEU  30          2HD2      LEU  30  -8.908 -14.999 -10.666
  167   3HD2  LEU  30          3HD2      LEU  30  -8.975 -13.387  -9.930
  168    H    GLN  31           H        GLN  31  -6.548 -11.911  -6.082
  169    HA   GLN  31           HA       GLN  31  -9.273 -12.107  -5.267
  170   1HB   GLN  31          2HB       GLN  31  -7.082 -10.449  -3.952
  171   2HB   GLN  31          3HB       GLN  31  -8.584 -10.967  -3.219
  172   1HG   GLN  31          2HG       GLN  31  -6.194 -12.658  -3.904
  173   2HG   GLN  31          3HG       GLN  31  -6.949 -12.400  -2.343
  174   1HE2  GLN  31          1HE2      GLN  31  -8.335 -15.315  -4.855
  175   2HE2  GLN  31          2HE2      GLN  31  -7.060 -14.206  -5.351
  176    H    ALA  32           H        ALA  32  -7.263  -9.237  -6.017
  177    HA   ALA  32           HA       ALA  32  -9.385  -7.336  -5.783
  178   1HB   ALA  32          1HB       ALA  32  -6.961  -6.739  -5.839
  179   2HB   ALA  32          2HB       ALA  32  -6.848  -7.292  -7.518
  180   3HB   ALA  32          3HB       ALA  32  -7.844  -5.878  -7.121
  181    H    HIS  33           H        HIS  33  -8.092  -9.020  -8.734
  182    HA   HIS  33           HA       HIS  33  -9.802  -7.924 -10.604
  183   1HB   HIS  33          2HB       HIS  33  -8.026  -9.499 -11.169
  184   2HB   HIS  33          3HB       HIS  33  -8.920 -10.815 -10.396
  185    HD1  HIS  33           HD1      HIS  33  -8.546  -9.236 -13.729
  186    HD2  HIS  33           HD2      HIS  33 -11.379 -11.487 -11.571
  187    HE1  HIS  33           HE1      HIS  33 -10.302 -10.018 -15.404
  188    H    LEU  34           H        LEU  34 -10.565 -10.748  -8.471
  189    HA   LEU  34           HA       LEU  34 -13.144 -11.222  -9.484
  190   1HB   LEU  34          2HB       LEU  34 -12.092 -11.587  -6.671
  191   2HB   LEU  34          3HB       LEU  34 -13.652 -12.196  -7.214
  192    HG   LEU  34           HG       LEU  34 -11.030 -13.009  -8.510
  193   1HD1  LEU  34          1HD1      LEU  34 -12.706 -14.441  -6.409
  194   2HD1  LEU  34          2HD1      LEU  34 -11.292 -15.118  -7.244
  195   3HD1  LEU  34          3HD1      LEU  34 -11.096 -13.732  -6.156
  196   1HD2  LEU  34          2HD2      LEU  34 -13.853 -14.133  -8.718
  197   2HD2  LEU  34          3HD2      LEU  34 -12.932 -13.346 -10.022
  198   3HD2  LEU  34          1HD2      LEU  34 -12.397 -14.897  -9.378
  199    H    SER  35           H        SER  35 -12.152  -8.507  -7.457
  200    HA   SER  35           HA       SER  35 -14.661  -7.846  -6.361
  201   1HB   SER  35          2HB       SER  35 -13.858  -5.681  -5.992
  202   2HB   SER  35          3HB       SER  35 -12.435  -6.729  -5.817
  203    HG   SER  35           HG       SER  35 -11.778  -6.066  -7.868
  204    H    LYS  36           H        LYS  36 -13.417  -7.458  -9.665
  205    HA   LYS  36           HA       LYS  36 -15.199  -5.569 -10.734
  206   1HB   LYS  36          2HB       LYS  36 -14.081  -8.124 -11.979
  207   2HB   LYS  36          3HB       LYS  36 -14.871  -6.821 -12.878
  208   1HG   LYS  36          2HG       LYS  36 -13.121  -5.257 -12.353
  209   2HG   LYS  36          3HG       LYS  36 -12.410  -6.348 -11.163
  210   1HD   LYS  36          2HD       LYS  36 -11.089  -6.358 -13.223
  211   2HD   LYS  36          3HD       LYS  36 -11.752  -7.949 -12.835
  212   1HE   LYS  36          2HE       LYS  36 -11.893  -7.449 -15.253
  213   2HE   LYS  36          3HE       LYS  36 -13.483  -7.729 -14.542
  214   1HZ   LYS  36          2HZ       LYS  36 -12.294  -5.094 -15.094
  215   2HZ   LYS  36          3HZ       LYS  36 -13.460  -5.835 -15.996
  216   3HZ   LYS  36          1HZ       LYS  36 -13.791  -5.359 -14.454
  217    H    HIS  37           H        HIS  37 -15.594  -9.073 -10.297
  218    HA   HIS  37           HA       HIS  37 -18.312  -9.045 -11.453
  219   1HB   HIS  37          2HB       HIS  37 -16.650 -11.303 -10.326
  220   2HB   HIS  37          3HB       HIS  37 -18.123 -11.456 -11.289
  221    HD1  HIS  37           HD1      HIS  37 -17.824 -10.616 -13.950
  222    HD2  HIS  37           HD2      HIS  37 -14.420 -11.435 -11.623
  223    HE1  HIS  37           HE1      HIS  37 -15.933 -11.187 -15.579
  224    H    THR  38           H        THR  38 -16.704  -9.867  -8.370
  225    HA   THR  38           HA       THR  38 -19.217 -10.596  -7.087
  226    HB   THR  38           HB       THR  38 -17.834 -11.085  -5.185
  227    HG1  THR  38          1HG       THR  38 -15.650 -10.018  -6.657
  228   1HG2  THR  38          2HG2      THR  38 -17.811 -12.751  -7.002
  229   2HG2  THR  38          3HG2      THR  38 -16.368 -11.983  -7.706
  230   3HG2  THR  38          1HG2      THR  38 -16.283 -12.725  -6.099
  231    H    GLY  39           H        GLY  39 -17.203  -7.658  -7.148
  232   1HA   GLY  39          2HA       GLY  39 -17.575  -5.613  -6.175
  233   2HA   GLY  39          3HA       GLY  39 -19.111  -6.187  -5.509
  234    H    GLU  40           H        GLU  40 -16.493  -8.367  -4.790
  235    HA   GLU  40           HA       GLU  40 -16.643  -7.692  -1.965
  236   1HB   GLU  40          2HB       GLU  40 -14.959  -9.634  -3.592
  237   2HB   GLU  40          3HB       GLU  40 -14.845  -9.502  -1.841
  238   1HG   GLU  40          2HG       GLU  40 -17.133 -10.167  -1.499
  239   2HG   GLU  40          3HG       GLU  40 -17.487 -10.089  -3.224
  240    H    LYS  41           H        LYS  41 -14.822  -7.273  -0.635
  241    HA   LYS  41           HA       LYS  41 -12.418  -6.033  -1.881
  242   1HB   LYS  41          2HB       LYS  41 -13.852  -4.767   0.472
  243   2HB   LYS  41          3HB       LYS  41 -12.487  -4.183  -0.495
  244   1HG   LYS  41          2HG       LYS  41 -14.197  -4.321  -2.514
  245   2HG   LYS  41          3HG       LYS  41 -15.428  -4.473  -1.250
  246   1HD   LYS  41          2HD       LYS  41 -15.423  -2.179  -1.574
  247   2HD   LYS  41          3HD       LYS  41 -14.233  -2.336  -0.261
  248   1HE   LYS  41          2HE       LYS  41 -12.433  -2.459  -2.075
  249   2HE   LYS  41          3HE       LYS  41 -13.679  -2.089  -3.271
  250   1HZ   LYS  41          3HZ       LYS  41 -14.071  -0.022  -2.060
  251   2HZ   LYS  41          1HZ       LYS  41 -12.874  -0.435  -0.985
  252   3HZ   LYS  41          2HZ       LYS  41 -12.496  -0.153  -2.560
  253    HA   PRO  42           HA       PRO  42 -11.818  -9.771   0.783
  254   1HB   PRO  42          2HB       PRO  42  -9.254  -9.456  -0.798
  255   2HB   PRO  42          3HB       PRO  42 -10.032 -10.975  -0.257
  256   1HG   PRO  42          2HG       PRO  42 -10.487 -10.053  -2.784
  257   2HG   PRO  42          3HG       PRO  42 -11.876 -10.612  -1.798
  258   1HD   PRO  42          2HD       PRO  42 -10.875  -7.833  -2.337
  259   2HD   PRO  42          3HD       PRO  42 -12.534  -8.471  -2.363
  260    H    PHE  43           H        PHE  43  -9.725  -6.876   0.753
  261    HA   PHE  43           HA       PHE  43  -8.373  -7.846   3.249
  262   1HB   PHE  43          2HB       PHE  43  -7.482  -5.881   1.150
  263   2HB   PHE  43          3HB       PHE  43  -6.661  -6.201   2.665
  264    HD1  PHE  43           HD1      PHE  43  -5.530  -8.350   3.098
  265    HD2  PHE  43           HD2      PHE  43  -7.549  -7.656  -0.651
  266    HE1  PHE  43           HE1      PHE  43  -4.510 -10.399   2.156
  267    HE2  PHE  43           HE2      PHE  43  -6.498  -9.672  -1.593
  268    HZ   PHE  43           HZ       PHE  43  -4.974 -11.058  -0.196
  269    HA   PRO  44           HA       PRO  44 -11.109  -4.401   4.686
  270   1HB   PRO  44          2HB       PRO  44 -11.761  -5.365   7.145
  271   2HB   PRO  44          3HB       PRO  44 -12.566  -5.924   5.651
  272   1HG   PRO  44          2HG       PRO  44 -10.223  -7.229   7.067
  273   2HG   PRO  44          3HG       PRO  44 -11.759  -8.008   6.573
  274   1HD   PRO  44          2HD       PRO  44  -9.536  -8.167   5.054
  275   2HD   PRO  44          3HD       PRO  44 -11.130  -7.921   4.276
  276    H    CYS  45           H        CYS  45 -10.508  -2.680   6.005
  277    HA   CYS  45           HA       CYS  45  -7.734  -2.660   6.942
  278   1HB   CYS  45          2HB       CYS  45  -8.704  -0.893   5.586
  279   2HB   CYS  45          3HB       CYS  45  -9.864  -0.526   6.877
  280    H    LYS  46           H        LYS  46 -10.803  -3.207   8.377
  281    HA   LYS  46           HA       LYS  46 -11.494  -3.714  10.417
  282   1HB   LYS  46          2HB       LYS  46  -8.567  -3.855  11.184
  283   2HB   LYS  46          3HB       LYS  46  -9.922  -4.452  12.126
  284   1HG   LYS  46          2HG       LYS  46  -9.160  -5.481   9.354
  285   2HG   LYS  46          3HG       LYS  46  -8.753  -6.226  10.905
  286   1HD   LYS  46          2HD       LYS  46 -11.310  -6.242  11.389
  287   2HD   LYS  46          3HD       LYS  46 -11.504  -5.928   9.654
  288   1HE   LYS  46          2HE       LYS  46 -10.086  -7.993   9.213
  289   2HE   LYS  46          3HE       LYS  46 -10.083  -8.300  10.955
  290   1HZ   LYS  46          2HZ       LYS  46 -12.464  -8.441  10.878
  291   2HZ   LYS  46          3HZ       LYS  46 -12.472  -8.158   9.254
  292   3HZ   LYS  46          1HZ       LYS  46 -11.783  -9.532   9.848
  293    H    GLU  47           H        GLU  47  -8.982  -1.189  10.691
  294    HA   GLU  47           HA       GLU  47  -9.357  -0.175  13.150
  295   1HB   GLU  47          2HB       GLU  47  -9.108   1.411  10.563
  296   2HB   GLU  47          3HB       GLU  47  -8.914   2.099  12.185
  297   1HG   GLU  47          2HG       GLU  47  -7.084   0.427  12.625
  298   2HG   GLU  47          3HG       GLU  47  -7.183  -0.078  10.928
  299    H    GLU  48           H        GLU  48 -10.782   0.927  14.365
  300    HA   GLU  48           HA       GLU  48 -13.529   1.011  13.727
  301   1HB   GLU  48          2HB       GLU  48 -11.945   2.685  15.734
  302   2HB   GLU  48          3HB       GLU  48 -13.705   2.537  15.708
  303   1HG   GLU  48          2HG       GLU  48 -11.742   0.236  16.167
  304   2HG   GLU  48          3HG       GLU  48 -12.702   1.052  17.404
  305    H    GLY  49           H        GLY  49 -14.797   2.495  12.670
  306   1HA   GLY  49          2HA       GLY  49 -15.409   4.440  11.577
  307   2HA   GLY  49          3HA       GLY  49 -13.933   5.245  12.141
  308    H    CYS  50           H        CYS  50 -11.869   4.020  11.179
  309    HA   CYS  50           HA       CYS  50 -11.991   4.264   8.255
  310   1HB   CYS  50          2HB       CYS  50 -10.201   5.251   9.529
  311   2HB   CYS  50          3HB       CYS  50  -9.770   3.707  10.255
  312    H    GLU  51           H        GLU  51 -13.691   2.216   8.986
  313    HA   GLU  51           HA       GLU  51 -12.284  -0.352   8.757
  314   1HB   GLU  51          2HB       GLU  51 -14.286   0.106  10.246
  315   2HB   GLU  51          3HB       GLU  51 -15.271   0.166   8.767
  316   1HG   GLU  51          2HG       GLU  51 -14.497  -2.151   8.218
  317   2HG   GLU  51          3HG       GLU  51 -13.504  -2.148   9.688
  318    H    LYS  52           H        LYS  52 -11.395   0.842   6.736
  319    HA   LYS  52           HA       LYS  52 -13.011   0.965   4.352
  320   1HB   LYS  52          2HB       LYS  52 -10.049   0.462   4.560
  321   2HB   LYS  52          3HB       LYS  52 -10.880   1.155   3.172
  322   1HG   LYS  52          2HG       LYS  52 -10.395   2.486   5.879
  323   2HG   LYS  52          3HG       LYS  52  -9.579   2.819   4.361
  324   1HD   LYS  52          2HD       LYS  52 -11.875   3.418   3.369
  325   2HD   LYS  52          3HD       LYS  52 -12.515   3.327   5.026
  326   1HE   LYS  52          2HE       LYS  52 -10.791   5.046   5.712
  327   2HE   LYS  52          3HE       LYS  52 -10.291   5.164   4.010
  328   1HZ   LYS  52          3HZ       LYS  52 -12.504   5.873   3.475
  329   2HZ   LYS  52          1HZ       LYS  52 -12.969   5.763   5.053
  330   3HZ   LYS  52          2HZ       LYS  52 -11.835   6.869   4.603
  331    H    GLY  53           H        GLY  53 -12.482  -0.413   2.411
  332   1HA   GLY  53          2HA       GLY  53 -11.978  -3.296   3.001
  333   2HA   GLY  53          3HA       GLY  53 -13.311  -2.737   1.981
  334    H    PHE  54           H        PHE  54 -10.029  -3.619   1.993
  335    HA   PHE  54           HA       PHE  54  -9.430  -2.129  -0.513
  336   1HB   PHE  54          2HB       PHE  54  -7.649  -3.376   1.570
  337   2HB   PHE  54          3HB       PHE  54  -7.089  -2.983  -0.041
  338    HD1  PHE  54           HD2      PHE  54  -7.155  -0.657  -0.900
  339    HD2  PHE  54           HD1      PHE  54  -8.350  -1.553   3.129
  340    HE1  PHE  54           HE2      PHE  54  -7.111   1.762  -0.353
  341    HE2  PHE  54           HE1      PHE  54  -8.144   0.864   3.698
  342    HZ   PHE  54           HZ       PHE  54  -7.918   2.511   1.872
  343    H    THR  55           H        THR  55  -8.873  -3.221  -2.408
  344    HA   THR  55           HA       THR  55  -9.909  -5.927  -2.649
  345    HB   THR  55           HB       THR  55  -9.093  -5.294  -5.100
  346    HG1  THR  55          1HG       THR  55  -9.229  -2.863  -5.112
  347   1HG2  THR  55          2HG2      THR  55 -11.446  -5.450  -4.265
  348   2HG2  THR  55          3HG2      THR  55 -11.335  -3.775  -3.698
  349   3HG2  THR  55          1HG2      THR  55 -11.225  -4.140  -5.435
  350    H    SER  56           H        SER  56  -6.712  -4.559  -2.108
  351    HA   SER  56           HA       SER  56  -5.669  -7.304  -2.388
  352   1HB   SER  56          2HB       SER  56  -3.997  -6.851  -3.849
  353   2HB   SER  56          3HB       SER  56  -5.263  -5.843  -4.527
  354    HG   SER  56           HG       SER  56  -3.802  -4.321  -4.290
  355    H    LEU  57           H        LEU  57  -3.777  -7.685  -1.251
  356    HA   LEU  57           HA       LEU  57  -3.552  -6.459   1.288
  357   1HB   LEU  57          2HB       LEU  57  -2.774  -8.752   0.786
  358   2HB   LEU  57          3HB       LEU  57  -1.561  -8.124  -0.328
  359    HG   LEU  57           HG       LEU  57  -0.358  -7.065   1.534
  360   1HD1  LEU  57          1HD1      LEU  57  -2.566  -8.236   3.289
  361   2HD1  LEU  57          2HD1      LEU  57  -1.028  -7.584   3.891
  362   3HD1  LEU  57          3HD1      LEU  57  -2.176  -6.511   3.090
  363   1HD2  LEU  57          2HD2      LEU  57  -1.077  -9.982   2.023
  364   2HD2  LEU  57          3HD2      LEU  57   0.170  -9.377   0.913
  365   3HD2  LEU  57          1HD2      LEU  57   0.356  -9.153   2.663
  366    H    HIS  58           H        HIS  58  -1.788  -6.001  -1.805
  367    HA   HIS  58           HA       HIS  58   0.108  -4.191  -0.687
  368   1HB   HIS  58          2HB       HIS  58   1.093  -4.165  -2.631
  369   2HB   HIS  58          3HB       HIS  58   0.127  -5.574  -2.949
  370    HD1  HIS  58           HD1      HIS  58  -1.353  -5.318  -5.177
  371    HD2  HIS  58           HD2      HIS  58   0.309  -1.781  -3.641
  372    HE1  HIS  58           HE1      HIS  58  -1.724  -3.506  -6.942
  373    H    HIS  59           H        HIS  59  -3.121  -3.699  -2.190
  374    HA   HIS  59           HA       HIS  59  -3.021  -0.837  -2.240
  375   1HB   HIS  59          2HB       HIS  59  -5.471  -2.552  -1.674
  376   2HB   HIS  59          3HB       HIS  59  -5.413  -0.855  -2.188
  377    HD1  HIS  59           HD1      HIS  59  -6.992  -3.019  -3.964
  378    HD2  HIS  59           HD2      HIS  59  -3.057  -1.568  -4.468
  379    HE1  HIS  59           HE1      HIS  59  -6.359  -3.441  -6.395
  380    HE2  HIS  59           HE2      HIS  59  -4.027  -2.443  -6.730
  381    H    LEU  60           H        LEU  60  -4.069  -3.174   0.282
  382    HA   LEU  60           HA       LEU  60  -4.687  -1.244   2.246
  383   1HB   LEU  60          2HB       LEU  60  -5.264  -3.700   2.306
  384   2HB   LEU  60          3HB       LEU  60  -3.574  -4.052   2.669
  385    HG   LEU  60           HG       LEU  60  -3.790  -2.636   4.760
  386   1HD1  LEU  60          2HD1      LEU  60  -5.814  -1.303   4.087
  387   2HD1  LEU  60          3HD1      LEU  60  -6.763  -2.809   4.080
  388   3HD1  LEU  60          1HD1      LEU  60  -6.054  -2.183   5.589
  389   1HD2  LEU  60          3HD2      LEU  60  -3.937  -5.112   4.785
  390   2HD2  LEU  60          1HD2      LEU  60  -4.993  -4.378   6.007
  391   3HD2  LEU  60          2HD2      LEU  60  -5.690  -5.005   4.501
  392    H    THR  61           H        THR  61  -1.615  -2.856   1.438
  393    HA   THR  61           HA       THR  61  -0.038  -1.831   3.541
  394    HB   THR  61           HB       THR  61   0.909  -2.431   0.721
  395    HG1  THR  61          1HG       THR  61  -0.261  -4.166   1.834
  396   1HG2  THR  61          3HG2      THR  61   2.357  -2.436   3.397
  397   2HG2  THR  61          1HG2      THR  61   3.019  -2.999   1.853
  398   3HG2  THR  61          2HG2      THR  61   2.623  -1.283   2.068
  399    H    ARG  62           H        ARG  62  -0.541  -0.426   0.191
  400    HA   ARG  62           HA       ARG  62   0.963   1.913   0.943
  401   1HB   ARG  62          2HB       ARG  62   0.194   3.026  -0.990
  402   2HB   ARG  62          3HB       ARG  62   0.830   1.425  -1.372
  403   1HG   ARG  62          2HG       ARG  62  -1.270   0.584  -1.955
  404   2HG   ARG  62          3HG       ARG  62  -2.167   1.844  -1.078
  405   1HD   ARG  62          2HD       ARG  62  -1.667   3.519  -2.574
  406   2HD   ARG  62          3HD       ARG  62  -0.374   2.639  -3.379
  407    HE   ARG  62           HE       ARG  62  -3.221   2.498  -3.955
  408   1HH1  ARG  62          1HH2      ARG  62  -0.215   0.661  -3.991
  409   2HH1  ARG  62          2HH2      ARG  62  -0.707  -0.372  -5.323
  410   1HH2  ARG  62          1HH1      ARG  62  -3.838   1.107  -5.822
  411   2HH2  ARG  62          2HH1      ARG  62  -2.590   0.075  -6.461
  412    H    HIS  63           H        HIS  63  -2.531   1.137   1.209
  413    HA   HIS  63           HA       HIS  63  -3.430   3.733   1.885
  414   1HB   HIS  63          2HB       HIS  63  -4.971   1.894   1.529
  415   2HB   HIS  63          3HB       HIS  63  -4.351   1.029   2.937
  416    HD1  HIS  63           HD1      HIS  63  -5.999   4.487   2.322
  417    HD2  HIS  63           HD2      HIS  63  -5.671   1.397   5.156
  418    HE1  HIS  63           HE1      HIS  63  -7.495   5.132   4.298
  419    H    SER  64           H        SER  64  -1.875   1.211   3.874
  420    HA   SER  64           HA       SER  64  -2.068   2.470   6.375
  421   1HB   SER  64          2HB       SER  64   0.260   0.748   5.452
  422   2HB   SER  64          3HB       SER  64  -0.294   1.045   7.106
  423    HG   SER  64           HG       SER  64  -1.824  -0.249   5.067
  424    H    LEU  65           H        LEU  65  -0.122   3.539   3.636
  425    HA   LEU  65           HA       LEU  65   1.914   4.954   5.052
  426   1HB   LEU  65          2HB       LEU  65   0.507   5.692   2.472
  427   2HB   LEU  65          3HB       LEU  65   1.973   6.442   3.084
  428    HG   LEU  65           HG       LEU  65   1.828   3.485   2.416
  429   1HD1  LEU  65          3HD1      LEU  65   1.397   4.901   0.417
  430   2HD1  LEU  65          1HD1      LEU  65   2.842   5.855   0.797
  431   3HD1  LEU  65          2HD1      LEU  65   3.002   4.147   0.320
  432   1HD2  LEU  65          3HD2      LEU  65   4.174   5.371   2.883
  433   2HD2  LEU  65          1HD2      LEU  65   3.663   4.045   3.960
  434   3HD2  LEU  65          2HD2      LEU  65   4.296   3.683   2.353
  435    H    THR  66           H        THR  66  -1.531   5.660   4.385
  436    HA   THR  66           HA       THR  66  -1.413   8.416   5.183
  437    HB   THR  66           HB       THR  66  -3.806   8.356   5.229
  438    HG1  THR  66          1HG       THR  66  -3.672   5.534   4.993
  439   1HG2  THR  66          1HG2      THR  66  -2.699   8.276   2.985
  440   2HG2  THR  66          2HG2      THR  66  -2.918   6.518   2.957
  441   3HG2  THR  66          3HG2      THR  66  -4.331   7.584   2.997
  442    H    HIS  67           H        HIS  67  -1.738   5.391   6.965
  443    HA   HIS  67           HA       HIS  67  -2.554   6.640   9.480
  444   1HB   HIS  67          2HB       HIS  67  -1.553   3.823   8.851
  445   2HB   HIS  67          3HB       HIS  67  -2.282   4.354  10.366
  446    HD1  HIS  67           HD1      HIS  67  -4.323   6.067   7.983
  447    HD2  HIS  67           HD2      HIS  67  -3.756   2.018   8.968
  448    HE1  HIS  67           HE1      HIS  67  -6.372   4.874   7.188
  449    H    THR  68           H        THR  68   0.358   5.008   8.236
  450    HA   THR  68           HA       THR  68   1.985   5.563  10.542
  451    HB   THR  68           HB       THR  68   3.848   4.867   9.004
  452    HG1  THR  68          1HG       THR  68   1.760   4.426   7.131
  453   1HG2  THR  68          3HG2      THR  68   1.363   3.078   8.979
  454   2HG2  THR  68          1HG2      THR  68   3.031   2.559   8.667
  455   3HG2  THR  68          2HG2      THR  68   2.577   3.172  10.271
  456    H    GLY  69           H        GLY  69   1.261   7.369   7.587
  457   1HA   GLY  69          2HA       GLY  69   1.523   9.606   7.187
  458   2HA   GLY  69          3HA       GLY  69   2.445   9.805   8.686
  459    H    GLU  70           H        GLU  70   3.376   7.242   6.476
  460    HA   GLU  70           HA       GLU  70   5.994   8.478   6.071
  461   1HB   GLU  70          2HB       GLU  70   4.816   5.847   5.147
  462   2HB   GLU  70          3HB       GLU  70   6.506   6.314   4.943
  463   1HG   GLU  70          2HG       GLU  70   5.073   6.043   7.611
  464   2HG   GLU  70          3HG       GLU  70   6.174   4.849   6.915
  465    H    LYS  71           H        LYS  71   4.442  10.219   5.029
  466    HA   LYS  71           HA       LYS  71   3.974  10.018   2.125
  467   1HB   LYS  71          2HB       LYS  71   2.542  11.198   3.764
  468   2HB   LYS  71          3HB       LYS  71   3.888  12.255   4.187
  469   1HG   LYS  71          2HG       LYS  71   3.843  13.203   1.881
  470   2HG   LYS  71          3HG       LYS  71   2.500  12.107   1.483
  471   1HD   LYS  71          2HD       LYS  71   1.164  13.067   3.361
  472   2HD   LYS  71          3HD       LYS  71   2.474  14.200   3.722
  473   1HE   LYS  71          2HE       LYS  71   0.969  14.039   1.080
  474   2HE   LYS  71          3HE       LYS  71   0.606  15.189   2.377
  475   1HZ   LYS  71          1HZ       LYS  71   2.815  16.078   2.145
  476   2HZ   LYS  71          2HZ       LYS  71   3.141  15.044   0.898
  477   3HZ   LYS  71          3HZ       LYS  71   1.971  16.172   0.728
  478    H    ASN  72           H        ASN  72   6.391   9.214   2.225
  479    HA   ASN  72           HA       ASN  72   8.393  11.368   2.583
  480   1HB   ASN  72          2HB       ASN  72   8.768   8.412   2.037
  481   2HB   ASN  72          3HB       ASN  72  10.013   9.544   2.581
  482   1HD2  ASN  72          1HD2      ASN  72   8.810   7.531   5.508
  483   2HD2  ASN  72          2HD2      ASN  72   9.514   7.147   3.945
  484    H    PHE  73           H        PHE  73   6.777  10.088  -0.157
  485    HA   PHE  73           HA       PHE  73   9.098  10.018  -1.887
  486   1HB   PHE  73          2HB       PHE  73   6.156  10.167  -2.596
  487   2HB   PHE  73          3HB       PHE  73   7.479   9.760  -3.686
  488    HD1  PHE  73           HD2      PHE  73   9.113   7.822  -2.815
  489    HD2  PHE  73           HD1      PHE  73   5.153   8.473  -1.283
  490    HE1  PHE  73           HE2      PHE  73   9.156   5.587  -1.781
  491    HE2  PHE  73           HE1      PHE  73   5.171   6.225  -0.251
  492    HZ   PHE  73           HZ       PHE  73   7.184   4.772  -0.478
  493    H    THR  74           H        THR  74  10.180  11.812  -1.689
  494    HA   THR  74           HA       THR  74   9.040  14.471  -1.961
  495    HB   THR  74           HB       THR  74  11.891  13.538  -1.558
  496    HG1  THR  74          1HG       THR  74  10.405  12.812   0.084
  497   1HG2  THR  74          2HG2      THR  74  10.522  16.213  -1.021
  498   2HG2  THR  74          3HG2      THR  74  12.175  15.785  -0.535
  499   3HG2  THR  74          1HG2      THR  74  11.768  15.896  -2.256
  500    H    CYS  75           H        CYS  75   9.000  15.632  -3.815
  501    HA   CYS  75           HA       CYS  75   9.978  14.660  -6.346
  502   1HB   CYS  75          2HB       CYS  75   8.166  16.168  -6.393
  503   2HB   CYS  75          3HB       CYS  75   8.965  17.326  -5.315
  504    H    ASP  76           H        ASP  76  12.122  14.456  -6.770
  505    HA   ASP  76           HA       ASP  76  14.140  15.886  -5.270
  506   1HB   ASP  76          2HB       ASP  76  14.499  13.612  -6.024
  507   2HB   ASP  76          3HB       ASP  76  14.314  14.100  -7.724
  508    H    SER  77           H        SER  77  13.192  18.020  -5.760
  509    HA   SER  77           HA       SER  77  14.571  19.303  -8.043
  510   1HB   SER  77          2HB       SER  77  12.245  18.674  -8.796
  511   2HB   SER  77          3HB       SER  77  11.601  19.672  -7.471
  512    HG   SER  77           HG       SER  77  11.743  20.767  -9.502
  513    H    ASP  78           H        ASP  78  15.797  20.761  -6.945
  514    HA   ASP  78           HA       ASP  78  15.581  21.485  -4.295
  515   1HB   ASP  78          2HB       ASP  78  16.692  23.157  -6.590
  516   2HB   ASP  78          3HB       ASP  78  17.026  23.424  -4.874
  517    H    GLY  79           H        GLY  79  14.351  22.884  -3.101
  518   1HA   GLY  79          2HA       GLY  79  12.989  24.709  -2.617
  519   2HA   GLY  79          3HA       GLY  79  12.942  25.176  -4.326
  520    H    CYS  80           H        CYS  80  12.024  23.075  -5.661
  521    HA   CYS  80           HA       CYS  80   9.225  22.758  -4.822
  522   1HB   CYS  80          2HB       CYS  80   9.815  23.250  -7.115
  523   2HB   CYS  80          3HB       CYS  80  10.847  21.834  -7.219
  524    H    ASP  81           H        ASP  81  10.851  21.652  -2.871
  525    HA   ASP  81           HA       ASP  81  11.116  18.752  -3.307
  526   1HB   ASP  81          2HB       ASP  81  11.629  20.479  -0.873
  527   2HB   ASP  81          3HB       ASP  81  11.991  18.753  -1.012
  528    H    LEU  82           H        LEU  82   8.594  19.245  -3.843
  529    HA   LEU  82           HA       LEU  82   6.814  19.211  -1.545
  530   1HB   LEU  82          2HB       LEU  82   6.458  18.488  -4.475
  531   2HB   LEU  82          3HB       LEU  82   5.128  18.439  -3.308
  532    HG   LEU  82           HG       LEU  82   6.736  20.935  -4.001
  533   1HD1  LEU  82          1HD1      LEU  82   5.454  20.089  -5.935
  534   2HD1  LEU  82          2HD1      LEU  82   3.979  20.019  -4.944
  535   3HD1  LEU  82          3HD1      LEU  82   4.738  21.583  -5.311
  536   1HD2  LEU  82          2HD2      LEU  82   4.133  20.533  -2.440
  537   2HD2  LEU  82          3HD2      LEU  82   5.677  21.110  -1.771
  538   3HD2  LEU  82          1HD2      LEU  82   4.794  22.105  -2.930
  539    H    ARG  83           H        ARG  83   5.917  17.468  -0.479
  540    HA   ARG  83           HA       ARG  83   7.074  14.777  -1.036
  541   1HB   ARG  83          2HB       ARG  83   5.717  15.925   1.430
  542   2HB   ARG  83          3HB       ARG  83   6.279  14.258   1.221
  543   1HG   ARG  83          2HG       ARG  83   8.595  15.127   0.783
  544   2HG   ARG  83          3HG       ARG  83   8.032  16.753   1.198
  545   1HD   ARG  83          2HD       ARG  83   7.979  14.295   3.024
  546   2HD   ARG  83          3HD       ARG  83   9.136  15.614   3.088
  547    HE   ARG  83           HE       ARG  83   7.532  17.120   3.875
  548   1HH1  ARG  83          1HH1      ARG  83   6.067  13.851   3.554
  549   2HH1  ARG  83          2HH1      ARG  83   4.838  14.205   4.724
  550   1HH2  ARG  83          2HH2      ARG  83   5.861  17.529   5.315
  551   2HH2  ARG  83          1HH2      ARG  83   4.672  16.313   5.688
  552    H    PHE  84           H        PHE  84   5.731  13.018  -1.409
  553    HA   PHE  84           HA       PHE  84   2.805  13.583  -1.631
  554   1HB   PHE  84          2HB       PHE  84   4.466  12.069  -3.671
  555   2HB   PHE  84          3HB       PHE  84   2.734  12.398  -3.700
  556    HD1  PHE  84           HD2      PHE  84   6.084  14.068  -3.930
  557    HD2  PHE  84           HD1      PHE  84   1.858  14.367  -4.749
  558    HE1  PHE  84           HE2      PHE  84   6.439  16.237  -5.012
  559    HE2  PHE  84           HE1      PHE  84   2.255  16.521  -5.899
  560    HZ   PHE  84           HZ       PHE  84   4.510  17.537  -5.890
  561    H    THR  85           H        THR  85   1.430  11.682  -1.660
  562    HA   THR  85           HA       THR  85   2.023   9.877   0.457
  563    HB   THR  85           HB       THR  85  -0.215   8.880  -0.601
  564    HG1  THR  85          1HG       THR  85  -0.236   9.931  -2.583
  565   1HG2  THR  85          1HG2      THR  85  -0.074  10.276   1.469
  566   2HG2  THR  85          2HG2      THR  85  -0.120  11.743   0.458
  567   3HG2  THR  85          3HG2      THR  85  -1.500  10.625   0.482
  568    H    THR  86           H        THR  86   1.628   9.123  -3.104
  569    HA   THR  86           HA       THR  86   3.313   6.711  -2.532
  570    HB   THR  86           HB       THR  86   2.185   5.485  -4.182
  571    HG1  THR  86          1HG       THR  86   0.539   7.722  -4.697
  572   1HG2  THR  86          3HG2      THR  86   1.058   5.541  -1.958
  573   2HG2  THR  86          1HG2      THR  86  -0.024   6.815  -2.567
  574   3HG2  THR  86          2HG2      THR  86  -0.032   5.204  -3.312
  575    H    LYS  87           H        LYS  87   4.676   6.057  -4.241
  576    HA   LYS  87           HA       LYS  87   6.257   8.057  -5.346
  577   1HB   LYS  87          2HB       LYS  87   5.769   5.182  -6.225
  578   2HB   LYS  87          3HB       LYS  87   7.051   6.200  -6.896
  579   1HG   LYS  87          2HG       LYS  87   8.132   6.484  -4.824
  580   2HG   LYS  87          3HG       LYS  87   6.808   5.773  -3.888
  581   1HD   LYS  87          2HD       LYS  87   8.051   4.099  -6.023
  582   2HD   LYS  87          3HD       LYS  87   9.036   4.419  -4.596
  583   1HE   LYS  87          2HE       LYS  87   7.742   2.308  -4.389
  584   2HE   LYS  87          3HE       LYS  87   7.396   3.464  -3.098
  585   1HZ   LYS  87          2HZ       LYS  87   5.718   3.008  -5.468
  586   2HZ   LYS  87          3HZ       LYS  87   5.422   2.436  -3.950
  587   3HZ   LYS  87          1HZ       LYS  87   5.397   4.057  -4.239
  588    H    ALA  88           H        ALA  88   3.459   6.337  -6.854
  589    HA   ALA  88           HA       ALA  88   3.905   7.573  -9.384
  590   1HB   ALA  88          1HB       ALA  88   2.766   5.537  -9.173
  591   2HB   ALA  88          2HB       ALA  88   1.382   6.307  -8.329
  592   3HB   ALA  88          3HB       ALA  88   1.760   6.720 -10.034
  593    H    ASN  89           H        ASN  89   2.321   8.831  -6.461
  594    HA   ASN  89           HA       ASN  89   0.903  10.993  -7.811
  595   1HB   ASN  89          2HB       ASN  89   2.097  10.875  -5.022
  596   2HB   ASN  89          3HB       ASN  89   1.037  12.156  -5.615
  597   1HD2  ASN  89          1HD2      ASN  89  -1.937  10.127  -5.259
  598   2HD2  ASN  89          2HD2      ASN  89  -1.294  11.390  -6.287
  599    H    MET  90           H        MET  90   4.095  10.576  -6.260
  600    HA   MET  90           HA       MET  90   5.186  13.139  -6.805
  601   1HB   MET  90          2HB       MET  90   6.214  11.650  -5.200
  602   2HB   MET  90          3HB       MET  90   6.459  10.413  -6.416
  603   1HG   MET  90          2HG       MET  90   8.046  11.996  -7.611
  604   2HG   MET  90          3HG       MET  90   7.884  13.062  -6.210
  605   1HE   MET  90          2HE       MET  90   9.069   9.568  -7.592
  606   2HE   MET  90          3HE       MET  90   9.902   8.869  -6.177
  607   3HE   MET  90          1HE       MET  90   8.147   8.986  -6.187
  608    H    LYS  91           H        LYS  91   5.302  10.094  -8.732
  609    HA   LYS  91           HA       LYS  91   6.818  11.128 -10.897
  610   1HB   LYS  91          2HB       LYS  91   4.675   8.978 -10.927
  611   2HB   LYS  91          3HB       LYS  91   5.777   9.310 -12.252
  612   1HG   LYS  91          2HG       LYS  91   6.728   8.430  -9.484
  613   2HG   LYS  91          3HG       LYS  91   6.401   7.356 -10.848
  614   1HD   LYS  91          2HD       LYS  91   8.130   8.743 -12.158
  615   2HD   LYS  91          3HD       LYS  91   8.547   9.497 -10.595
  616   1HE   LYS  91          2HE       LYS  91   8.999   7.232  -9.646
  617   2HE   LYS  91          3HE       LYS  91   8.605   6.500 -11.215
  618   1HZ   LYS  91          3HZ       LYS  91  10.425   7.710 -12.167
  619   2HZ   LYS  91          1HZ       LYS  91  10.801   8.379 -10.709
  620   3HZ   LYS  91          2HZ       LYS  91  10.937   6.752 -10.929
  621    H    LYS  92           H        LYS  92   3.218  10.933 -10.555
  622    HA   LYS  92           HA       LYS  92   2.527  12.225 -12.965
  623   1HB   LYS  92          2HB       LYS  92   1.198  12.293 -10.212
  624   2HB   LYS  92          3HB       LYS  92   0.554  13.135 -11.625
  625   1HG   LYS  92          2HG       LYS  92   0.210  11.066 -12.826
  626   2HG   LYS  92          3HG       LYS  92   1.044  10.142 -11.570
  627   1HD   LYS  92          2HD       LYS  92  -1.376   9.879 -11.322
  628   2HD   LYS  92          3HD       LYS  92  -0.706  10.716  -9.929
  629   1HE   LYS  92          2HE       LYS  92  -1.480  12.920 -10.946
  630   2HE   LYS  92          3HE       LYS  92  -2.244  11.972 -12.244
  631   1HZ   LYS  92          2HZ       LYS  92  -3.545  10.911 -10.505
  632   2HZ   LYS  92          3HZ       LYS  92  -2.844  11.863  -9.365
  633   3HZ   LYS  92          1HZ       LYS  92  -3.776  12.546 -10.529
  634    H    HIS  93           H        HIS  93   3.072  13.773  -9.726
  635    HA   HIS  93           HA       HIS  93   2.778  16.441 -10.626
  636   1HB   HIS  93          2HB       HIS  93   2.871  16.137  -8.299
  637   2HB   HIS  93          3HB       HIS  93   4.360  15.188  -8.371
  638    HD1  HIS  93           HD1      HIS  93   3.318  18.902  -8.937
  639    HD2  HIS  93           HD2      HIS  93   6.672  16.424  -8.381
  640    HE1  HIS  93           HE1      HIS  93   5.347  20.428  -8.844
  641    H    PHE  94           H        PHE  94   5.789  14.526 -10.299
  642    HA   PHE  94           HA       PHE  94   7.562  16.462 -11.210
  643   1HB   PHE  94          2HB       PHE  94   7.990  14.129 -10.175
  644   2HB   PHE  94          3HB       PHE  94   7.919  13.503 -11.815
  645    HD1  PHE  94           HD2      PHE  94   9.602  14.604 -13.545
  646    HD2  PHE  94           HD1      PHE  94   9.941  15.036  -9.260
  647    HE1  PHE  94           HE2      PHE  94  11.934  15.392 -13.799
  648    HE2  PHE  94           HE1      PHE  94  12.284  15.809  -9.532
  649    HZ   PHE  94           HZ       PHE  94  13.275  16.006 -11.794
  650    H    ASN  95           H        ASN  95   5.728  14.040 -13.059
  651    HA   ASN  95           HA       ASN  95   6.768  14.653 -15.609
  652   1HB   ASN  95          2HB       ASN  95   4.251  13.330 -14.593
  653   2HB   ASN  95          3HB       ASN  95   4.309  13.788 -16.280
  654   1HD2  ASN  95          1HD2      ASN  95   6.437  10.572 -15.005
  655   2HD2  ASN  95          2HD2      ASN  95   5.499  11.571 -13.890
  656    H    ARG  96           H        ARG  96   3.687  15.576 -14.152
  657    HA   ARG  96           HA       ARG  96   2.636  17.361 -15.943
  658   1HB   ARG  96          2HB       ARG  96   1.521  16.352 -14.062
  659   2HB   ARG  96          3HB       ARG  96   2.491  17.274 -12.918
  660   1HG   ARG  96          2HG       ARG  96   1.427  19.364 -13.679
  661   2HG   ARG  96          3HG       ARG  96   0.478  18.467 -14.878
  662   1HD   ARG  96          2HD       ARG  96   0.433  17.949 -11.872
  663   2HD   ARG  96          3HD       ARG  96  -0.762  18.945 -12.724
  664    HE   ARG  96           HE       ARG  96  -0.980  16.715 -14.154
  665   1HH1  ARG  96          1HH2      ARG  96  -0.821  16.974 -10.620
  666   2HH1  ARG  96          2HH2      ARG  96  -2.026  15.737 -10.338
  667   1HH2  ARG  96          1HH1      ARG  96  -2.430  15.010 -13.781
  668   2HH2  ARG  96          2HH1      ARG  96  -2.878  14.569 -12.151
  669    H    PHE  97           H        PHE  97   4.947  18.149 -13.310
  670    HA   PHE  97           HA       PHE  97   4.955  20.994 -14.123
  671   1HB   PHE  97          2HB       PHE  97   6.036  19.480 -11.738
  672   2HB   PHE  97          3HB       PHE  97   6.477  21.140 -12.089
  673    HD1  PHE  97           HD1      PHE  97   3.258  19.168 -11.885
  674    HD2  PHE  97           HD2      PHE  97   5.385  22.795 -10.920
  675    HE1  PHE  97           HE1      PHE  97   1.229  20.090 -10.821
  676    HE2  PHE  97           HE2      PHE  97   3.421  23.598  -9.653
  677    HZ   PHE  97           HZ       PHE  97   1.355  22.232  -9.558
  678    H    HIS  98           H        HIS  98   7.186  18.216 -14.408
  679    HA   HIS  98           HA       HIS  98   9.301  20.150 -15.320
  680   1HB   HIS  98          2HB       HIS  98   9.799  17.530 -13.918
  681   2HB   HIS  98          3HB       HIS  98  10.952  18.804 -14.308
  682    HD1  HIS  98           HD1      HIS  98   9.317  21.300 -13.156
  683    HD2  HIS  98           HD2      HIS  98   9.595  17.532 -11.329
  684    HE1  HIS  98           HE1      HIS  98   8.699  21.629 -10.700
  685    H    ASN  99           H        ASN  99   7.545  17.210 -16.189
  686    HA   ASN  99           HA       ASN  99   9.483  16.698 -18.402
  687   1HB   ASN  99          2HB       ASN  99   8.585  14.761 -17.186
  688   2HB   ASN  99          3HB       ASN  99   6.937  15.263 -17.632
  689   1HD2  ASN  99          1HD2      ASN  99   7.374  12.787 -20.102
  690   2HD2  ASN  99          2HD2      ASN  99   6.868  13.010 -18.430
  691    H    ILE 100           H        ILE 100   5.938  17.056 -18.069
  692    HA   ILE 100           HA       ILE 100   5.810  18.250 -20.793
  693    HB   ILE 100           HB       ILE 100   3.441  17.886 -20.680
  694   1HG1  ILE 100          2HG1      ILE 100   3.811  16.547 -17.972
  695   2HG1  ILE 100          3HG1      ILE 100   3.216  18.205 -18.156
  696   1HG2  ILE 100          2HG2      ILE 100   5.024  16.097 -21.435
  697   2HG2  ILE 100          3HG2      ILE 100   4.942  15.374 -19.816
  698   3HG2  ILE 100          1HG2      ILE 100   3.491  15.464 -20.833
  699   1HD1  ILE 100          1HD1      ILE 100   1.341  17.354 -19.566
  700   2HD1  ILE 100          2HD1      ILE 100   1.886  15.690 -19.242
  701   3HD1  ILE 100          3HD1      ILE 100   1.330  16.715 -17.912
  702    H    LYS 101           H        LYS 101   6.056  19.409 -17.626
  703    HA   LYS 101           HA       LYS 101   5.685  21.430 -16.653
  704   1HB   LYS 101          2HB       LYS 101   5.874  22.415 -19.534
  705   2HB   LYS 101          3HB       LYS 101   5.828  23.449 -18.113
  706   1HG   LYS 101          2HG       LYS 101   8.070  23.269 -18.810
  707   2HG   LYS 101          3HG       LYS 101   7.910  22.454 -17.248
  708   1HD   LYS 101          2HD       LYS 101   8.099  20.296 -18.249
  709   2HD   LYS 101          3HD       LYS 101   7.802  20.921 -19.884
  710   1HE   LYS 101          2HE       LYS 101   9.958  22.088 -19.868
  711   2HE   LYS 101          3HE       LYS 101  10.254  21.580 -18.189
  712   1HZ   LYS 101          3HZ       LYS 101   9.890  19.714 -20.426
  713   2HZ   LYS 101          1HZ       LYS 101  11.358  20.201 -19.836
  714   3HZ   LYS 101          2HZ       LYS 101  10.317  19.355 -18.876
  715   1H5*    T   1          1H5*        T   1  -4.986  23.802 -16.480
  716   2H5*    T   1          2H5*        T   1  -3.292  23.261 -16.561
  717    H4*    T   1           H4*        T   1  -4.158  23.959 -14.235
  718    H3*    T   1           H3*        T   1  -2.575  21.595 -14.912
  719   1H2*    T   1          1H2*        T   1  -4.077  20.143 -13.924
  720   2H2*    T   1          2H2*        T   1  -3.382  20.698 -12.380
  721    H1*    T   1           H1*        T   1  -5.029  22.479 -12.206
  722    H3     T   1           H3         T   1  -8.203  19.943 -10.103
  723   1H5M    T   1          1H5M        T   1  -9.159  17.575 -14.006
  724   2H5M    T   1          2H5M        T   1  -9.313  19.044 -14.989
  725   3H5M    T   1          3H5M        T   1  -7.853  18.034 -15.111
  726    H6     T   1           H6         T   1  -6.517  20.049 -14.599
  727    H5T    T   1           H5T        T   1  -5.485  21.548 -16.103
  728   1H5*    T   2          1H5*        T   2  -2.475  22.857 -10.496
  729   2H5*    T   2          2H5*        T   2  -0.835  22.734  -9.843
  730    H4*    T   2           H4*        T   2  -2.276  21.652  -8.278
  731    H3*    T   2           H3*        T   2  -0.851  19.611 -10.019
  732   1H2*    T   2          1H2*        T   2  -2.218  18.030  -9.341
  733   2H2*    T   2          2H2*        T   2  -2.115  18.496  -7.615
  734    H1*    T   2           H1*        T   2  -3.892  19.903  -7.769
  735    H3     T   2           H3         T   2  -7.421  17.116  -8.445
  736   1H5M    T   2          1H5M        T   2  -6.460  16.844 -13.035
  737   2H5M    T   2          2H5M        T   2  -4.912  17.694 -13.207
  738   3H5M    T   2          3H5M        T   2  -4.954  16.006 -12.650
  739    H6     T   2           H6         T   2  -3.778  18.527 -11.236
  740   1H5*    G   3          1H5*        G   3  -0.357  19.664  -5.387
  741   2H5*    G   3          2H5*        G   3   1.086  18.798  -4.828
  742    H4*    G   3           H4*        G   3  -1.051  18.344  -3.572
  743    H3*    G   3           H3*        G   3   0.896  16.526  -3.924
  744   1H2*    G   3          1H2*        G   3  -0.010  15.725  -6.077
  745   2H2*    G   3          2H2*        G   3  -0.623  14.486  -4.951
  746    H1*    G   3           H1*        G   3  -2.657  15.720  -4.560
  747    H8     G   3           H8         G   3  -1.062  15.696  -8.094
  748    H1     G   3           H1         G   3  -7.283  14.103  -7.722
  749   1H2     G   3           H21        G   3  -7.915  14.303  -5.497
  750   2H2     G   3           H22        G   3  -6.801  14.997  -4.343
  751   1H5*    G   4          1H5*        G   4  -2.490  15.958  -0.726
  752   2H5*    G   4          2H5*        G   4  -1.863  14.995   0.631
  753    H4*    G   4           H4*        G   4  -4.331  14.809   0.378
  754    H3*    G   4           H3*        G   4  -2.620  12.670   0.792
  755   1H2*    G   4          1H2*        G   4  -2.562  11.955  -1.477
  756   2H2*    G   4          2H2*        G   4  -3.948  10.978  -0.928
  757    H1*    G   4           H1*        G   4  -5.523  12.603  -1.681
  758    H8     G   4           H8         G   4  -2.225  13.352  -3.652
  759    H1     G   4           H1         G   4  -6.918  10.695  -7.135
  760   1H2     G   4           H21        G   4  -8.547   9.940  -5.668
  761   2H2     G   4           H22        G   4  -8.494  10.444  -3.990
  762   1H5*    A   5          1H5*        A   5  -7.055  10.996   0.328
  763   2H5*    A   5          2H5*        A   5  -7.278   9.727   1.552
  764    H4*    A   5           H4*        A   5  -8.108   8.971  -0.593
  765    H3*    A   5           H3*        A   5  -6.065   7.479   0.824
  766   1H2*    A   5          1H2*        A   5  -4.527   7.806  -0.935
  767   2H2*    A   5          2H2*        A   5  -5.335   6.350  -1.580
  768    H1*    A   5           H1*        A   5  -6.991   7.749  -2.736
  769    H8     A   5           H8         A   5  -3.447   9.373  -2.472
  770   1H6     A   5           H61        A   5  -3.318   8.850  -8.626
  771   2H6     A   5           H62        A   5  -2.404   9.311  -7.191
  772    H2     A   5           H2         A   5  -7.154   7.114  -7.196
  773   1H5*    T   6          1H5*        T   6  -9.568   5.297  -1.833
  774   2H5*    T   6          2H5*        T   6  -9.824   3.737  -1.028
  775    H4*    T   6           H4*        T   6 -10.243   3.601  -3.466
  776    H3*    T   6           H3*        T   6  -8.586   1.810  -2.033
  777   1H2*    T   6          1H2*        T   6  -6.622   2.593  -2.930
  778   2H2*    T   6          2H2*        T   6  -6.956   1.386  -4.176
  779    H1*    T   6           H1*        T   6  -8.221   2.987  -5.519
  780    H3     T   6           H3         T   6  -4.777   4.732  -7.976
  781   1H5M    T   6          1H5M        T   6  -3.430   5.082  -2.721
  782   2H5M    T   6          2H5M        T   6  -2.247   5.101  -4.055
  783   3H5M    T   6          3H5M        T   6  -3.160   6.551  -3.685
  784    H6     T   6           H6         T   6  -5.699   4.497  -3.253
  785   1H5*    G   7          1H5*        G   7 -11.046   0.477  -5.926
  786   2H5*    G   7          2H5*        G   7 -11.451  -1.243  -5.771
  787    H4*    G   7           H4*        G   7 -11.317  -0.490  -8.126
  788    H3*    G   7           H3*        G   7 -10.181  -2.857  -7.224
  789   1H2*    G   7          1H2*        G   7  -8.017  -1.961  -6.965
  790   2H2*    G   7          2H2*        G   7  -7.882  -2.628  -8.611
  791    H1*    G   7           H1*        G   7  -8.375  -0.496  -9.608
  792    H8     G   7           H8         G   7  -7.206   0.110  -5.942
  793    H1     G   7           H1         G   7  -3.066   2.167 -10.378
  794   1H2     G   7           H21        G   7  -3.810   1.557 -12.459
  795   2H2     G   7           H22        G   7  -5.310   0.663 -12.625
  796   1H5*    G   8          1H5*        G   8  -9.113  -2.185 -12.013
  797   2H5*    G   8          2H5*        G   8  -9.427  -3.802 -12.682
  798    H4*    G   8           H4*        G   8  -7.383  -2.959 -13.651
  799    H3*    G   8           H3*        G   8  -7.457  -5.427 -12.137
  800   1H2*    G   8          1H2*        G   8  -6.002  -4.635 -10.535
  801   2H2*    G   8          2H2*        G   8  -4.745  -5.135 -11.681
  802    H1*    G   8           H1*        G   8  -4.676  -2.911 -12.691
  803    H8     G   8           H8         G   8  -5.774  -2.998  -8.947
  804    H1     G   8           H1         G   8  -0.281   0.155  -9.927
  805   1H2     G   8           H21        G   8   0.262   0.039 -12.170
  806   2H2     G   8           H22        G   8  -0.853  -0.694 -13.311
  807   1H5*    G   9          1H5*        G   9  -4.173  -4.163 -15.221
  808   2H5*    G   9          2H5*        G   9  -3.872  -5.592 -16.229
  809    H4*    G   9           H4*        G   9  -1.864  -4.259 -16.159
  810    H3*    G   9           H3*        G   9  -1.890  -6.992 -15.494
  811   1H2*    G   9          1H2*        G   9  -1.796  -6.488 -13.136
  812   2H2*    G   9          2H2*        G   9  -0.094  -6.791 -13.525
  813    H1*    G   9           H1*        G   9   0.249  -4.388 -13.969
  814    H8     G   9           H8         G   9  -2.408  -5.175 -11.200
  815    H1     G   9           H1         G   9   2.643  -1.760  -9.198
  816   1H2     G   9           H21        G   9   4.149  -1.570 -10.953
  817   2H2     G   9           H22        G   9   3.718  -2.169 -12.551
  818   1H5*    A  10          1H5*        A  10   2.300  -4.535 -15.793
  819   2H5*    A  10          2H5*        A  10   3.306  -5.620 -16.773
  820    H4*    A  10           H4*        A  10   4.720  -4.324 -15.309
  821    H3*    A  10           H3*        A  10   4.700  -7.219 -15.294
  822   1H2*    A  10          1H2*        A  10   4.143  -7.349 -13.052
  823   2H2*    A  10          2H2*        A  10   5.880  -7.073 -12.781
  824    H1*    A  10           H1*        A  10   5.535  -4.672 -12.570
  825    H8     A  10           H8         A  10   2.162  -6.433 -11.861
  826   1H6     A  10           H61        A  10   2.669  -4.426  -6.073
  827   2H6     A  10           H62        A  10   1.704  -5.272  -7.263
  828    H2     A  10           H2         A  10   6.439  -3.312  -8.271
  829   1H5*    G  11          1H5*        G  11   8.180  -4.912 -13.499
  830   2H5*    G  11          2H5*        G  11   9.772  -5.635 -13.809
  831    H4*    G  11           H4*        G  11   9.523  -4.866 -11.483
  832    H3*    G  11           H3*        G  11  10.277  -7.604 -12.176
  833   1H2*    G  11          1H2*        G  11   8.496  -8.471 -10.895
  834   2H2*    G  11          2H2*        G  11   9.621  -8.200  -9.534
  835    H1*    G  11           H1*        G  11   8.755  -5.920  -9.245
  836    H8     G  11           H8         G  11   5.856  -8.196 -10.604
  837    H1     G  11           H1         G  11   5.348  -6.385  -4.457
  838   1H2     G  11           H21        G  11   7.350  -5.356  -3.853
  839   2H2     G  11           H22        G  11   8.528  -4.961  -5.089
  840   1H5*    A  12          1H5*        A  12  12.304  -4.812  -8.879
  841   2H5*    A  12          2H5*        A  12  14.019  -5.272  -8.903
  842    H4*    A  12           H4*        A  12  13.355  -4.276  -6.751
  843    H3*    A  12           H3*        A  12  14.860  -6.605  -7.004
  844   1H2*    A  12          1H2*        A  12  13.081  -8.090  -6.577
  845   2H2*    A  12          2H2*        A  12  13.642  -7.885  -4.904
  846    H1*    A  12           H1*        A  12  12.023  -6.180  -4.454
  847    H8     A  12           H8         A  12  10.872  -8.310  -7.533
  848   1H6     A  12           H61        A  12   6.003  -9.882  -4.156
  849   2H6     A  12           H62        A  12   6.900 -10.067  -5.662
  850    H2     A  12           H2         A  12   8.574  -7.182  -1.646
  851   1H5*    C  13          1H5*        C  13  13.884  -5.409  -2.651
  852   2H5*    C  13          2H5*        C  13  15.236  -5.675  -1.531
  853    H4*    C  13           H4*        C  13  13.071  -6.486  -0.643
  854    H3*    C  13           H3*        C  13  15.391  -8.318  -1.003
  855   1H2*    C  13          1H2*        C  13  14.042 -10.022  -1.693
  856   2H2*    C  13          2H2*        C  13  13.363 -10.063  -0.045
  857    H1*    C  13           H1*        C  13  11.654  -8.478  -0.598
  858   1H4     C  13           H41        C  13   9.266 -12.300  -5.548
  859   2H4     C  13           H42        C  13   8.122 -12.337  -4.220
  860    H5     C  13           H5         C  13  11.476 -11.176  -5.337
  861    H6     C  13           H6         C  13  12.838  -9.807  -3.882
  862   1H5*    C  14          1H5*        C  14  12.509  -8.718   2.593
  863   2H5*    C  14          2H5*        C  14  13.291  -9.349   4.058
  864    H4*    C  14           H4*        C  14  11.120 -10.470   3.526
  865    H3*    C  14           H3*        C  14  13.659 -12.043   3.654
  866   1H2*    C  14          1H2*        C  14  12.912 -13.510   2.125
  867   2H2*    C  14          2H2*        C  14  11.529 -13.929   3.175
  868    H1*    C  14           H1*        C  14  10.114 -12.312   2.226
  869   1H4     C  14           H41        C  14  11.551 -14.286  -4.019
  870   2H4     C  14           H42        C  14   9.911 -14.795  -3.655
  871    H5     C  14           H5         C  14  12.954 -13.121  -2.349
  872    H6     C  14           H6         C  14  12.980 -12.267  -0.054
  873   1H5*    G  15          1H5*        G  15   9.832 -13.927   5.397
  874   2H5*    G  15          2H5*        G  15  10.199 -14.934   6.813
  875    H4*    G  15           H4*        G  15   8.725 -16.117   5.262
  876    H3*    G  15           H3*        G  15  11.380 -17.224   5.950
  877   1H2*    G  15          1H2*        G  15  11.857 -17.684   3.744
  878   2H2*    G  15          2H2*        G  15  10.684 -19.024   3.916
  879    H1*    G  15           H1*        G  15   8.863 -17.609   3.163
  880    H8     G  15           H8         G  15  12.298 -16.385   1.735
  881    H1     G  15           H1         G  15   8.066 -18.336  -2.688
  882   1H2     G  15           H21        G  15   6.217 -19.197  -1.605
  883   2H2     G  15           H22        G  15   6.124 -19.161   0.144
  884    H3T    G  15           H3T        G  15  10.057 -19.027   6.275
  885   1H5*    C  16          1H5*        C  16   4.159 -24.231  -7.531
  886   2H5*    C  16          2H5*        C  16   2.502 -23.745  -7.960
  887    H4*    C  16           H4*        C  16   3.281 -22.962  -5.676
  888    H3*    C  16           H3*        C  16   2.238 -21.117  -7.795
  889   1H2*    C  16          1H2*        C  16   3.586 -19.452  -7.120
  890   2H2*    C  16          2H2*        C  16   2.768 -19.428  -5.537
  891    H1*    C  16           H1*        C  16   4.287 -21.024  -4.618
  892   1H4     C  16           H41        C  16   9.521 -17.187  -6.345
  893   2H4     C  16           H42        C  16   9.464 -17.238  -4.595
  894    H5     C  16           H5         C  16   7.877 -18.336  -7.743
  895    H6     C  16           H6         C  16   5.904 -19.716  -7.722
  896    H5T    C  16           H5T        C  16   4.838 -22.289  -8.600
  897   1H5*    G  17          1H5*        G  17   1.420 -20.938  -3.463
  898   2H5*    G  17          2H5*        G  17  -0.209 -20.501  -2.932
  899    H4*    G  17           H4*        G  17   1.441 -19.435  -1.521
  900    H3*    G  17           H3*        G  17  -0.436 -17.771  -3.009
  901   1H2*    G  17          1H2*        G  17   1.355 -16.717  -4.140
  902   2H2*    G  17          2H2*        G  17   1.341 -15.696  -2.675
  903    H1*    G  17           H1*        G  17   2.905 -17.253  -1.565
  904    H8     G  17           H8         G  17   3.494 -16.987  -5.427
  905    H1     G  17           H1         G  17   8.224 -14.754  -1.687
  906   1H2     G  17           H21        G  17   7.518 -14.918   0.530
  907   2H2     G  17           H22        G  17   5.983 -15.673   0.897
  908   1H5*    G  18          1H5*        G  18   1.207 -16.988   1.429
  909   2H5*    G  18          2H5*        G  18  -0.157 -16.235   2.278
  910    H4*    G  18           H4*        G  18   1.977 -15.593   3.291
  911    H3*    G  18           H3*        G  18  -0.034 -13.777   2.575
  912   1H2*    G  18          1H2*        G  18   1.071 -12.965   0.664
  913   2H2*    G  18          2H2*        G  18   1.752 -11.822   1.848
  914    H1*    G  18           H1*        G  18   3.715 -13.176   2.165
  915    H8     G  18           H8         G  18   2.098 -14.102  -1.271
  916    H1     G  18           H1         G  18   7.910 -11.409  -1.703
  917   1H2     G  18           H21        G  18   8.519 -10.669   0.420
  918   2H2     G  18           H22        G  18   7.545 -11.114   1.809
  919   1H5*    T  19          1H5*        T  19   3.680 -11.799   4.827
  920   2H5*    T  19          2H5*        T  19   3.045 -10.599   5.973
  921    H4*    T  19           H4*        T  19   5.023  -9.751   4.806
  922    H3*    T  19           H3*        T  19   2.439  -8.352   4.681
  923   1H2*    T  19          1H2*        T  19   2.544  -8.222   2.394
  924   2H2*    T  19          2H2*        T  19   3.697  -6.912   2.657
  925    H1*    T  19           H1*        T  19   5.587  -8.474   2.636
  926    H3     T  19           H3         T  19   6.331  -8.648  -1.905
  927   1H5M    T  19          1H5M        T  19   2.358 -10.967  -2.581
  928   2H5M    T  19          2H5M        T  19   1.601 -11.060  -0.977
  929   3H5M    T  19          3H5M        T  19   1.419  -9.587  -1.958
  930    H6     T  19           H6         T  19   2.650  -9.895   0.913
  931   1H5*    C  20          1H5*        C  20   6.436  -6.214   4.239
  932   2H5*    C  20          2H5*        C  20   6.514  -4.498   4.690
  933    H4*    C  20           H4*        C  20   7.491  -5.107   2.427
  934    H3*    C  20           H3*        C  20   5.251  -3.095   2.623
  935   1H2*    C  20          1H2*        C  20   4.892  -3.226   0.382
  936   2H2*    C  20          2H2*        C  20   6.639  -3.195   0.003
  937    H1*    C  20           H1*        C  20   6.919  -5.433   0.103
  938   1H4     C  20           H41        C  20   1.475  -7.264  -3.284
  939   2H4     C  20           H42        C  20   2.809  -7.101  -4.412
  940    H5     C  20           H5         C  20   1.718  -6.567  -0.895
  941    H6     C  20           H6         C  20   3.289  -5.759   0.746
  942   1H5*    T  21          1H5*        T  21   9.255  -2.511   0.591
  943   2H5*    T  21          2H5*        T  21   9.864  -0.845   0.558
  944    H4*    T  21           H4*        T  21  10.246  -2.132  -1.560
  945    H3*    T  21           H3*        T  21   9.196   0.530  -1.404
  946   1H2*    T  21          1H2*        T  21   7.118  -0.049  -2.252
  947   2H2*    T  21          2H2*        T  21   7.936   0.130  -3.828
  948    H1*    T  21           H1*        T  21   8.562  -2.202  -3.874
  949    H3     T  21           H3         T  21   4.738  -3.584  -5.888
  950   1H5M    T  21          1H5M        T  21   3.393  -1.813  -0.917
  951   2H5M    T  21          2H5M        T  21   2.203  -2.045  -2.205
  952   3H5M    T  21          3H5M        T  21   2.816  -3.447  -1.329
  953    H6     T  21           H6         T  21   5.692  -1.771  -1.545
  954   1H5*    C  22          1H5*        C  22  10.521  -0.725  -6.016
  955   2H5*    C  22          2H5*        C  22  11.268   0.768  -6.625
  956    H4*    C  22           H4*        C  22   9.739  -0.096  -8.308
  957    H3*    C  22           H3*        C  22   9.139   2.484  -6.970
  958   1H2*    C  22          1H2*        C  22   6.924   2.115  -6.966
  959   2H2*    C  22          2H2*        C  22   6.912   2.167  -8.732
  960    H1*    C  22           H1*        C  22   7.295  -0.189  -8.933
  961   1H4     C  22           H41        C  22   1.822  -0.983  -5.105
  962   2H4     C  22           H42        C  22   1.384  -1.494  -6.711
  963    H5     C  22           H5         C  22   4.015  -0.033  -4.559
  964    H6     C  22           H6         C  22   6.220   0.440  -5.441
  965   1H5*    C  23          1H5*        C  23   8.247   2.040 -11.411
  966   2H5*    C  23          2H5*        C  23   8.175   3.576 -12.309
  967    H4*    C  23           H4*        C  23   6.256   2.104 -12.755
  968    H3*    C  23           H3*        C  23   5.664   4.697 -11.307
  969   1H2*    C  23          1H2*        C  23   3.506   4.062 -11.118
  970   2H2*    C  23          2H2*        C  23   3.459   3.258 -12.716
  971    H1*    C  23           H1*        C  23   4.112   1.245 -11.968
  972   1H4     C  23           H41        C  23   0.578   1.968  -6.281
  973   2H4     C  23           H42        C  23  -0.396   1.078  -7.421
  974    H5     C  23           H5         C  23   2.858   2.776  -6.887
  975    H6     C  23           H6         C  23   4.470   2.914  -8.691
  976   1H5*    C  24          1H5*        C  24   3.969   3.235 -15.197
  977   2H5*    C  24          2H5*        C  24   3.780   4.543 -16.380
  978    H4*    C  24           H4*        C  24   1.969   2.911 -16.590
  979    H3*    C  24           H3*        C  24   1.575   5.742 -16.148
  980   1H2*    C  24          1H2*        C  24   0.355   5.540 -14.275
  981   2H2*    C  24          2H2*        C  24  -0.999   5.083 -15.334
  982    H1*    C  24           H1*        C  24  -0.634   2.751 -14.999
  983   1H4     C  24           H41        C  24  -0.261   4.171  -8.415
  984   2H4     C  24           H42        C  24  -1.855   3.521  -8.644
  985    H5     C  24           H5         C  24   1.319   4.394 -10.195
  986    H6     C  24           H6         C  24   1.606   4.384 -12.574
  987   1H5*    A  25          1H5*        A  25  -1.902   3.269 -17.521
  988   2H5*    A  25          2H5*        A  25  -2.820   3.976 -18.868
  989    H4*    A  25           H4*        A  25  -4.314   3.071 -17.130
  990    H3*    A  25           H3*        A  25  -4.425   5.802 -18.101
  991   1H2*    A  25          1H2*        A  25  -4.040   6.724 -16.027
  992   2H2*    A  25          2H2*        A  25  -5.772   6.440 -15.760
  993    H1*    A  25           H1*        A  25  -5.336   4.297 -14.714
  994    H8     A  25           H8         A  25  -2.326   6.783 -14.445
  995   1H6     A  25           H61        A  25  -2.798   6.170  -8.358
  996   2H6     A  25           H62        A  25  -1.948   6.885  -9.726
  997    H2     A  25           H2         A  25  -6.091   3.747 -10.223
  998   1H5*    T  26          1H5*        T  26  -7.738   3.816 -15.860
  999   2H5*    T  26          2H5*        T  26  -9.401   4.243 -16.314
 1000    H4*    T  26           H4*        T  26  -9.033   4.182 -13.861
 1001    H3*    T  26           H3*        T  26  -9.836   6.755 -15.208
 1002   1H2*    T  26          1H2*        T  26  -8.949   7.978 -13.537
 1003   2H2*    T  26          2H2*        T  26  -9.924   7.104 -12.328
 1004    H1*    T  26           H1*        T  26  -8.319   5.458 -11.962
 1005    H3     T  26           H3         T  26  -5.637   7.875  -9.201
 1006   1H5M    T  26          1H5M        T  26  -3.225   9.442 -12.895
 1007   2H5M    T  26          2H5M        T  26  -4.224   9.017 -14.298
 1008   3H5M    T  26          3H5M        T  26  -4.613  10.457 -13.328
 1009    H6     T  26           H6         T  26  -6.349   7.876 -13.948
 1010   1H5*    C  27          1H5*        C  27 -11.620   4.943 -11.526
 1011   2H5*    C  27          2H5*        C  27 -13.366   5.192 -11.312
 1012    H4*    C  27           H4*        C  27 -12.107   5.455  -9.193
 1013    H3*    C  27           H3*        C  27 -13.910   7.451 -10.288
 1014   1H2*    C  27          1H2*        C  27 -12.294   9.104 -10.325
 1015   2H2*    C  27          2H2*        C  27 -12.648   9.254  -8.588
 1016    H1*    C  27           H1*        C  27 -10.925   7.640  -8.023
 1017   1H4     C  27           H41        C  27  -6.323  11.583 -10.948
 1018   2H4     C  27           H42        C  27  -5.888  11.407  -9.265
 1019    H5     C  27           H5         C  27  -8.281  10.430 -11.925
 1020    H6     C  27           H6         C  27 -10.228   9.108 -11.400
 1021   1H5*    C  28          1H5*        C  28 -13.082   7.978  -5.740
 1022   2H5*    C  28          2H5*        C  28 -14.535   8.602  -4.927
 1023    H4*    C  28           H4*        C  28 -12.620  10.005  -4.388
 1024    H3*    C  28           H3*        C  28 -14.609  11.287  -6.292
 1025   1H2*    C  28          1H2*        C  28 -13.184  12.976  -6.678
 1026   2H2*    C  28          2H2*        C  28 -12.679  13.103  -4.964
 1027    H1*    C  28           H1*        C  28 -10.985  11.634  -5.146
 1028   1H4     C  28           H41        C  28  -8.863  13.478 -11.233
 1029   2H4     C  28           H42        C  28  -7.663  14.014 -10.082
 1030    H5     C  28           H5         C  28 -10.960  12.362 -10.555
 1031    H6     C  28           H6         C  28 -12.235  11.574  -8.642
 1032   1H5*    A  29          1H5*        A  29 -13.441  12.864  -2.174
 1033   2H5*    A  29          2H5*        A  29 -14.756  13.750  -1.377
 1034    H4*    A  29           H4*        A  29 -12.474  14.700  -1.004
 1035    H3*    A  29           H3*        A  29 -14.785  16.189  -1.454
 1036   1H2*    A  29          1H2*        A  29 -14.356  16.562  -3.735
 1037   2H2*    A  29          2H2*        A  29 -13.570  18.016  -3.082
 1038    H1*    A  29           H1*        A  29 -11.412  16.965  -3.041
 1039    H8     A  29           H8         A  29 -13.918  15.669  -5.737
 1040   1H6     A  29           H61        A  29  -9.265  16.255  -9.756
 1041   2H6     A  29           H62        A  29 -10.962  15.854  -9.510
 1042    H2     A  29           H2         A  29  -7.761  17.471  -5.708
 1043   1H5*    A  30          1H5*        A  30 -10.643  18.263  -0.352
 1044   2H5*    A  30          2H5*        A  30 -10.931  19.694   0.659
 1045    H4*    A  30           H4*        A  30  -9.001  19.991  -0.858
 1046    H3*    A  30           H3*        A  30 -11.171  21.874  -0.638
 1047   1H2*    A  30          1H2*        A  30 -11.864  21.548  -2.858
 1048   2H2*    A  30          2H2*        A  30 -10.584  22.756  -3.181
 1049    H1*    A  30           H1*        A  30  -8.936  20.992  -3.534
 1050    H8     A  30           H8         A  30 -12.552  19.721  -4.349
 1051   1H6     A  30           H61        A  30 -10.522  19.010 -10.113
 1052   2H6     A  30           H62        A  30 -11.883  18.908  -8.999
 1053    H2     A  30           H2         A  30  -7.174  20.764  -7.693
 1054    H3T    A  30           H3T        A  30  -9.480  23.309  -1.090
   
  No H/Q in entry =        1054
  Start of MODEL   22
    1    H    MET   1           H        MET   1   3.486 -19.106 -10.954
    2    HA   MET   1           HA       MET   1   4.197 -18.572 -13.229
    3   1HB   MET   1          2HB       MET   1   5.204 -20.319 -14.614
    4   2HB   MET   1          3HB       MET   1   6.186 -19.969 -13.187
    5   1HG   MET   1          2HG       MET   1   6.249 -22.291 -13.347
    6   2HG   MET   1          3HG       MET   1   5.050 -22.002 -12.089
    7   1HE   MET   1          3HE       MET   1   5.470 -24.797 -13.382
    8   2HE   MET   1          1HE       MET   1   4.183 -24.457 -12.196
    9   3HE   MET   1          2HE       MET   1   3.795 -25.303 -13.713
   10    H    LYS  11           H        LYS  11   2.380 -20.957 -11.535
   11    HA   LYS  11           HA       LYS  11   0.634 -21.678 -13.765
   12   1HB   LYS  11          2HB       LYS  11   1.147 -23.236 -11.923
   13   2HB   LYS  11          3HB       LYS  11   0.330 -22.155 -10.780
   14   1HG   LYS  11          2HG       LYS  11  -1.788 -22.418 -12.001
   15   2HG   LYS  11          3HG       LYS  11  -0.992 -23.474 -13.189
   16   1HD   LYS  11          2HD       LYS  11  -0.426 -25.086 -11.402
   17   2HD   LYS  11          3HD       LYS  11  -1.175 -24.044 -10.187
   18   1HE   LYS  11          2HE       LYS  11  -2.625 -25.341 -12.548
   19   2HE   LYS  11          3HE       LYS  11  -2.651 -25.923 -10.876
   20   1HZ   LYS  11          2HZ       LYS  11  -3.657 -23.846 -10.234
   21   2HZ   LYS  11          3HZ       LYS  11  -3.678 -23.334 -11.801
   22   3HZ   LYS  11          1HZ       LYS  11  -4.574 -24.639 -11.350
   23    H    ARG  12           H        ARG  12  -0.169 -19.700 -14.548
   24    HA   ARG  12           HA       ARG  12  -1.294 -17.658 -12.908
   25   1HB   ARG  12          2HB       ARG  12  -1.612 -18.325 -15.831
   26   2HB   ARG  12          3HB       ARG  12  -2.590 -17.083 -15.050
   27   1HG   ARG  12          2HG       ARG  12  -0.720 -16.034 -16.097
   28   2HG   ARG  12          3HG       ARG  12  -0.640 -15.813 -14.345
   29   1HD   ARG  12          2HD       ARG  12   1.086 -17.545 -14.168
   30   2HD   ARG  12          3HD       ARG  12   0.862 -17.974 -15.885
   31    HE   ARG  12           HE       ARG  12   1.562 -15.201 -15.571
   32   1HH1  ARG  12          1HH1      ARG  12   2.941 -18.465 -15.411
   33   2HH1  ARG  12          2HH1      ARG  12   4.515 -17.973 -15.978
   34   1HH2  ARG  12          1HH2      ARG  12   3.644 -14.541 -16.236
   35   2HH2  ARG  12          2HH2      ARG  12   4.935 -15.697 -16.406
   36    H    TYR  13           H        TYR  13  -2.811 -18.020 -11.471
   37    HA   TYR  13           HA       TYR  13  -4.882 -20.011 -11.707
   38   1HB   TYR  13          2HB       TYR  13  -4.687 -17.544  -9.939
   39   2HB   TYR  13          3HB       TYR  13  -5.740 -18.937  -9.653
   40    HD1  TYR  13           HD1      TYR  13  -3.454 -21.057 -10.325
   41    HD2  TYR  13           HD2      TYR  13  -3.659 -17.560  -7.793
   42    HE1  TYR  13           HE1      TYR  13  -1.800 -22.054  -8.806
   43    HE2  TYR  13           HE2      TYR  13  -2.059 -18.616  -6.228
   44    HH   TYR  13           HH       TYR  13  -0.486 -21.718  -6.938
   45    H    ILE  14           H        ILE  14  -6.821 -19.789 -12.632
   46    HA   ILE  14           HA       ILE  14  -7.424 -17.335 -14.098
   47    HB   ILE  14           HB       ILE  14  -8.737 -20.056 -14.326
   48   1HG1  ILE  14          2HG1      ILE  14  -6.195 -18.906 -15.500
   49   2HG1  ILE  14          3HG1      ILE  14  -6.446 -20.486 -14.748
   50   1HG2  ILE  14          3HG2      ILE  14  -9.986 -18.122 -15.345
   51   2HG2  ILE  14          1HG2      ILE  14  -8.526 -17.735 -16.288
   52   3HG2  ILE  14          2HG2      ILE  14  -9.407 -19.258 -16.543
   53   1HD1  ILE  14          1HD1      ILE  14  -7.841 -21.106 -16.770
   54   2HD1  ILE  14          2HD1      ILE  14  -7.318 -19.554 -17.496
   55   3HD1  ILE  14          3HD1      ILE  14  -6.120 -20.788 -17.090
   56    H    CYS  15           H        CYS  15  -9.314 -16.270 -14.034
   57    HA   CYS  15           HA       CYS  15 -10.699 -15.833 -11.618
   58   1HB   CYS  15          2HB       CYS  15 -10.503 -14.171 -13.313
   59   2HB   CYS  15          3HB       CYS  15 -11.220 -15.222 -14.539
   60    H    SER  16           H        SER  16 -12.327 -16.866 -10.620
   61    HA   SER  16           HA       SER  16 -13.255 -19.319 -11.060
   62   1HB   SER  16          2HB       SER  16 -15.083 -17.153  -9.973
   63   2HB   SER  16          3HB       SER  16 -14.802 -18.796  -9.367
   64    HG   SER  16           HG       SER  16 -13.685 -17.240  -8.097
   65    H    PHE  17           H        PHE  17 -14.710 -16.342 -12.345
   66    HA   PHE  17           HA       PHE  17 -16.918 -17.675 -13.699
   67   1HB   PHE  17          2HB       PHE  17 -15.844 -14.854 -14.009
   68   2HB   PHE  17          3HB       PHE  17 -17.412 -15.448 -14.531
   69    HD1  PHE  17           HD2      PHE  17 -19.125 -16.160 -12.791
   70    HD2  PHE  17           HD1      PHE  17 -15.445 -14.190 -11.699
   71    HE1  PHE  17           HE2      PHE  17 -19.992 -15.793 -10.500
   72    HE2  PHE  17           HE1      PHE  17 -16.277 -13.937  -9.380
   73    HZ   PHE  17           HZ       PHE  17 -18.563 -14.704  -8.783
   74    H    ALA  18           H        ALA  18 -15.143 -19.170 -14.553
   75    HA   ALA  18           HA       ALA  18 -13.185 -19.204 -16.124
   76   1HB   ALA  18          1HB       ALA  18 -14.621 -21.147 -15.828
   77   2HB   ALA  18          2HB       ALA  18 -15.785 -20.516 -17.011
   78   3HB   ALA  18          3HB       ALA  18 -14.151 -20.987 -17.531
   79    H    ASP  19           H        ASP  19 -16.224 -18.455 -17.866
   80    HA   ASP  19           HA       ASP  19 -15.358 -17.932 -20.388
   81   1HB   ASP  19          2HB       ASP  19 -17.425 -16.310 -18.841
   82   2HB   ASP  19          3HB       ASP  19 -17.287 -16.414 -20.601
   83    H    CYS  20           H        CYS  20 -15.071 -15.705 -17.641
   84    HA   CYS  20           HA       CYS  20 -14.371 -13.313 -18.882
   85   1HB   CYS  20          2HB       CYS  20 -14.875 -13.690 -16.483
   86   2HB   CYS  20          3HB       CYS  20 -13.328 -14.532 -16.307
   87    H    GLY  21           H        GLY  21 -12.348 -16.192 -18.252
   88   1HA   GLY  21          2HA       GLY  21 -10.292 -16.799 -18.992
   89   2HA   GLY  21          3HA       GLY  21 -10.471 -15.594 -20.273
   90    H    ALA  22           H        ALA  22 -10.576 -14.258 -17.065
   91    HA   ALA  22           HA       ALA  22  -7.980 -12.944 -17.470
   92   1HB   ALA  22          2HB       ALA  22  -9.915 -11.698 -16.560
   93   2HB   ALA  22          3HB       ALA  22  -9.965 -12.792 -15.157
   94   3HB   ALA  22          1HB       ALA  22  -8.560 -11.741 -15.418
   95    H    ALA  23           H        ALA  23  -6.053 -13.545 -16.360
   96    HA   ALA  23           HA       ALA  23  -6.229 -15.523 -14.211
   97   1HB   ALA  23          1HB       ALA  23  -6.153 -16.761 -16.411
   98   2HB   ALA  23          2HB       ALA  23  -4.575 -16.010 -16.723
   99   3HB   ALA  23          3HB       ALA  23  -4.781 -17.101 -15.332
  100    H    TYR  24           H        TYR  24  -4.463 -15.266 -12.742
  101    HA   TYR  24           HA       TYR  24  -2.322 -13.342 -13.610
  102   1HB   TYR  24          2HB       TYR  24  -3.969 -12.875 -11.123
  103   2HB   TYR  24          3HB       TYR  24  -2.698 -11.861 -11.801
  104    HD1  TYR  24           HD1      TYR  24  -3.125 -10.526 -13.915
  105    HD2  TYR  24           HD2      TYR  24  -6.231 -12.845 -12.044
  106    HE1  TYR  24           HE1      TYR  24  -4.829  -9.002 -14.853
  107    HE2  TYR  24           HE2      TYR  24  -7.939 -11.388 -13.061
  108    HH   TYR  24           HH       TYR  24  -7.050  -8.330 -14.682
  109    H    ASN  25           H        ASN  25  -3.000 -16.023 -11.491
  110    HA   ASN  25           HA       ASN  25  -1.528 -17.306 -10.277
  111   1HB   ASN  25          2HB       ASN  25   0.255 -16.455 -12.041
  112   2HB   ASN  25          3HB       ASN  25   0.823 -15.467 -10.713
  113   1HD2  ASN  25          1HD2      ASN  25   1.399 -18.778  -8.846
  114   2HD2  ASN  25          2HD2      ASN  25   0.175 -17.555  -8.546
  115    H    LYS  26           H        LYS  26  -0.843 -13.821  -9.759
  116    HA   LYS  26           HA       LYS  26  -0.137 -14.246  -6.965
  117   1HB   LYS  26          2HB       LYS  26  -0.795 -11.776  -8.608
  118   2HB   LYS  26          3HB       LYS  26  -0.372 -11.712  -6.897
  119   1HG   LYS  26          2HG       LYS  26   1.423 -12.807  -9.108
  120   2HG   LYS  26          3HG       LYS  26   1.502 -11.188  -8.408
  121   1HD   LYS  26          2HD       LYS  26   1.876 -12.341  -6.109
  122   2HD   LYS  26          3HD       LYS  26   2.097 -13.838  -7.024
  123   1HE   LYS  26          2HE       LYS  26   4.272 -12.963  -6.660
  124   2HE   LYS  26          3HE       LYS  26   3.908 -12.661  -8.363
  125   1HZ   LYS  26          3HZ       LYS  26   3.332 -10.387  -7.709
  126   2HZ   LYS  26          1HZ       LYS  26   3.760 -10.718  -6.148
  127   3HZ   LYS  26          2HZ       LYS  26   4.881 -10.772  -7.347
  128    H    ASN  27           H        ASN  27  -1.644 -14.981  -5.602
  129    HA   ASN  27           HA       ASN  27  -4.358 -15.050  -5.891
  130   1HB   ASN  27          2HB       ASN  27  -3.183 -16.251  -4.151
  131   2HB   ASN  27          3HB       ASN  27  -2.836 -14.748  -3.272
  132   1HD2  ASN  27          1HD2      ASN  27  -6.410 -16.611  -2.783
  133   2HD2  ASN  27          2HD2      ASN  27  -5.113 -17.321  -3.725
  134    H    TRP  28           H        TRP  28  -2.638 -12.394  -4.120
  135    HA   TRP  28           HA       TRP  28  -4.905 -10.883  -3.439
  136   1HB   TRP  28          2HB       TRP  28  -3.474  -9.025  -3.219
  137   2HB   TRP  28          3HB       TRP  28  -2.602 -10.437  -2.657
  138    HD1  TRP  28           HD1      TRP  28  -0.396 -11.070  -3.885
  139    HE1  TRP  28           HE1      TRP  28   1.118  -9.925  -5.608
  140    HE3  TRP  28           HE3      TRP  28  -3.605  -7.412  -5.534
  141    HZ2  TRP  28           HZ2      TRP  28   0.946  -7.787  -7.505
  142    HZ3  TRP  28           HZ3      TRP  28  -2.927  -5.937  -7.425
  143    HH2  TRP  28           HH2      TRP  28  -0.661  -6.091  -8.367
  144    H    LYS  29           H        LYS  29  -3.072 -10.935  -6.500
  145    HA   LYS  29           HA       LYS  29  -4.403  -8.698  -7.676
  146   1HB   LYS  29          2HB       LYS  29  -2.104  -9.871  -8.141
  147   2HB   LYS  29          3HB       LYS  29  -3.014 -10.887  -9.261
  148   1HG   LYS  29          2HG       LYS  29  -2.947  -7.827  -9.295
  149   2HG   LYS  29          3HG       LYS  29  -1.815  -8.838 -10.171
  150   1HD   LYS  29          2HD       LYS  29  -3.194  -9.121 -11.858
  151   2HD   LYS  29          3HD       LYS  29  -4.499  -9.738 -10.838
  152   1HE   LYS  29          2HE       LYS  29  -3.852  -6.811 -11.351
  153   2HE   LYS  29          3HE       LYS  29  -5.149  -7.726 -12.140
  154   1HZ   LYS  29          2HZ       LYS  29  -6.066  -8.120  -9.912
  155   2HZ   LYS  29          3HZ       LYS  29  -4.959  -7.080  -9.285
  156   3HZ   LYS  29          1HZ       LYS  29  -6.078  -6.531 -10.360
  157    H    LEU  30           H        LEU  30  -4.809 -12.260  -7.953
  158    HA   LEU  30           HA       LEU  30  -6.889 -12.047  -9.851
  159   1HB   LEU  30          2HB       LEU  30  -5.421 -14.142  -8.981
  160   2HB   LEU  30          3HB       LEU  30  -6.788 -14.331  -7.891
  161    HG   LEU  30           HG       LEU  30  -6.495 -14.727 -10.841
  162   1HD1  LEU  30          3HD1      LEU  30  -6.419 -16.441  -9.039
  163   2HD1  LEU  30          1HD1      LEU  30  -8.142 -16.162  -8.731
  164   3HD1  LEU  30          2HD1      LEU  30  -7.621 -16.787 -10.315
  165   1HD2  LEU  30          3HD2      LEU  30  -8.417 -13.108 -10.858
  166   2HD2  LEU  30          1HD2      LEU  30  -8.846 -14.737 -11.320
  167   3HD2  LEU  30          2HD2      LEU  30  -9.246 -14.160  -9.686
  168    H    GLN  31           H        GLN  31  -6.926 -12.360  -6.290
  169    HA   GLN  31           HA       GLN  31  -9.753 -12.343  -5.864
  170   1HB   GLN  31          2HB       GLN  31  -7.309 -11.702  -4.231
  171   2HB   GLN  31          3HB       GLN  31  -8.854 -11.126  -3.656
  172   1HG   GLN  31          2HG       GLN  31  -8.017 -13.422  -2.811
  173   2HG   GLN  31          3HG       GLN  31  -9.714 -13.203  -3.241
  174   1HE2  GLN  31          1HE2      GLN  31  -7.447 -15.522  -5.801
  175   2HE2  GLN  31          2HE2      GLN  31  -6.692 -14.142  -4.998
  176    H    ALA  32           H        ALA  32  -7.368  -9.660  -6.105
  177    HA   ALA  32           HA       ALA  32  -9.237  -7.592  -5.699
  178   1HB   ALA  32          2HB       ALA  32  -6.780  -7.243  -5.692
  179   2HB   ALA  32          3HB       ALA  32  -6.710  -7.598  -7.431
  180   3HB   ALA  32          1HB       ALA  32  -7.544  -6.151  -6.843
  181    H    HIS  33           H        HIS  33  -8.169  -9.086  -8.826
  182    HA   HIS  33           HA       HIS  33  -9.922  -7.691 -10.531
  183   1HB   HIS  33          2HB       HIS  33  -8.279  -9.219 -11.436
  184   2HB   HIS  33          3HB       HIS  33  -8.988 -10.578 -10.593
  185    HD1  HIS  33           HD1      HIS  33  -9.332  -8.746 -13.826
  186    HD2  HIS  33           HD2      HIS  33 -11.391 -11.555 -11.470
  187    HE1  HIS  33           HE1      HIS  33 -11.222  -9.673 -15.271
  188    H    LEU  34           H        LEU  34 -10.557 -10.730  -8.733
  189    HA   LEU  34           HA       LEU  34 -13.225 -11.065  -9.518
  190   1HB   LEU  34          2HB       LEU  34 -11.763 -11.945  -7.027
  191   2HB   LEU  34          3HB       LEU  34 -13.420 -12.428  -7.359
  192    HG   LEU  34           HG       LEU  34 -11.215 -12.945  -9.368
  193   1HD1  LEU  34          2HD1      LEU  34 -12.142 -14.729  -7.074
  194   2HD1  LEU  34          3HD1      LEU  34 -11.113 -15.258  -8.420
  195   3HD1  LEU  34          1HD1      LEU  34 -10.522 -14.033  -7.289
  196   1HD2  LEU  34          3HD2      LEU  34 -13.912 -14.279  -8.869
  197   2HD2  LEU  34          1HD2      LEU  34 -13.550 -13.159 -10.200
  198   3HD2  LEU  34          2HD2      LEU  34 -12.744 -14.727 -10.124
  199    H    SER  35           H        SER  35 -12.031  -8.626  -7.277
  200    HA   SER  35           HA       SER  35 -14.355  -8.334  -5.711
  201   1HB   SER  35          2HB       SER  35 -13.694  -6.117  -5.232
  202   2HB   SER  35          3HB       SER  35 -12.225  -7.104  -5.302
  203    HG   SER  35           HG       SER  35 -11.877  -6.242  -7.402
  204    H    LYS  36           H        LYS  36 -13.743  -7.304  -9.086
  205    HA   LYS  36           HA       LYS  36 -16.053  -5.620  -9.320
  206   1HB   LYS  36          2HB       LYS  36 -14.338  -7.150 -11.302
  207   2HB   LYS  36          3HB       LYS  36 -15.792  -6.284 -11.825
  208   1HG   LYS  36          2HG       LYS  36 -15.007  -4.195 -10.955
  209   2HG   LYS  36          3HG       LYS  36 -13.593  -4.954 -10.211
  210   1HD   LYS  36          2HD       LYS  36 -12.667  -5.549 -12.376
  211   2HD   LYS  36          3HD       LYS  36 -14.130  -5.027 -13.224
  212   1HE   LYS  36          2HE       LYS  36 -12.352  -3.158 -11.585
  213   2HE   LYS  36          3HE       LYS  36 -12.225  -3.377 -13.342
  214   1HZ   LYS  36          1HZ       LYS  36 -14.480  -2.619 -13.535
  215   2HZ   LYS  36          3HZ       LYS  36 -14.580  -2.379 -11.907
  216   3HZ   LYS  36          2HZ       LYS  36 -13.532  -1.486 -12.807
  217    H    HIS  37           H        HIS  37 -15.677  -9.148  -9.631
  218    HA   HIS  37           HA       HIS  37 -18.426  -9.456 -10.660
  219   1HB   HIS  37          2HB       HIS  37 -16.334 -11.470  -9.801
  220   2HB   HIS  37          3HB       HIS  37 -17.905 -11.853 -10.508
  221    HD1  HIS  37           HD1      HIS  37 -18.240 -11.115 -13.138
  222    HD2  HIS  37           HD2      HIS  37 -14.390 -11.378 -11.488
  223    HE1  HIS  37           HE1      HIS  37 -16.646 -11.671 -15.060
  224    H    THR  38           H        THR  38 -16.592 -10.230  -7.705
  225    HA   THR  38           HA       THR  38 -18.929 -11.390  -6.381
  226    HB   THR  38           HB       THR  38 -17.351 -11.909  -4.627
  227    HG1  THR  38          1HG       THR  38 -15.393 -10.523  -6.158
  228   1HG2  THR  38          2HG2      THR  38 -17.368 -13.382  -6.613
  229   2HG2  THR  38          3HG2      THR  38 -16.056 -12.430  -7.343
  230   3HG2  THR  38          1HG2      THR  38 -15.776 -13.319  -5.834
  231    H    GLY  39           H        GLY  39 -17.182  -8.291  -6.212
  232   1HA   GLY  39          2HA       GLY  39 -17.738  -6.383  -5.049
  233   2HA   GLY  39          3HA       GLY  39 -19.105  -7.208  -4.287
  234    H    GLU  40           H        GLU  40 -16.218  -9.119  -4.047
  235    HA   GLU  40           HA       GLU  40 -16.124  -8.672  -1.177
  236   1HB   GLU  40          2HB       GLU  40 -14.454 -10.340  -3.096
  237   2HB   GLU  40          3HB       GLU  40 -14.199 -10.315  -1.350
  238   1HG   GLU  40          2HG       GLU  40 -16.415 -11.178  -0.899
  239   2HG   GLU  40          3HG       GLU  40 -16.878 -11.049  -2.596
  240    H    LYS  41           H        LYS  41 -14.428  -7.889   0.032
  241    HA   LYS  41           HA       LYS  41 -12.147  -6.519  -1.304
  242   1HB   LYS  41          2HB       LYS  41 -13.694  -5.252   0.982
  243   2HB   LYS  41          3HB       LYS  41 -12.411  -4.570  -0.030
  244   1HG   LYS  41          2HG       LYS  41 -14.090  -4.961  -2.018
  245   2HG   LYS  41          3HG       LYS  41 -15.294  -5.250  -0.744
  246   1HD   LYS  41          2HD       LYS  41 -15.647  -3.013  -1.062
  247   2HD   LYS  41          3HD       LYS  41 -14.383  -2.939   0.182
  248   1HE   LYS  41          2HE       LYS  41 -12.688  -2.818  -1.747
  249   2HE   LYS  41          3HE       LYS  41 -14.062  -2.637  -2.847
  250   1HZ   LYS  41          1HZ       LYS  41 -14.682  -0.661  -1.613
  251   2HZ   LYS  41          2HZ       LYS  41 -13.387  -0.876  -0.601
  252   3HZ   LYS  41          3HZ       LYS  41 -13.132  -0.549  -2.188
  253    HA   PRO  42           HA       PRO  42 -11.282  -9.938   1.712
  254   1HB   PRO  42          2HB       PRO  42  -8.708  -9.633   0.159
  255   2HB   PRO  42          3HB       PRO  42  -9.429 -11.135   0.809
  256   1HG   PRO  42          2HG       PRO  42  -9.768 -10.442  -1.785
  257   2HG   PRO  42          3HG       PRO  42 -11.187 -11.032  -0.855
  258   1HD   PRO  42          2HD       PRO  42 -10.394  -8.225  -1.576
  259   2HD   PRO  42          3HD       PRO  42 -11.998  -8.990  -1.591
  260    H    PHE  43           H        PHE  43  -9.410  -6.911   1.369
  261    HA   PHE  43           HA       PHE  43  -8.013  -7.521   3.962
  262   1HB   PHE  43          2HB       PHE  43  -7.165  -5.868   1.589
  263   2HB   PHE  43          3HB       PHE  43  -6.346  -5.910   3.139
  264    HD1  PHE  43           HD2      PHE  43  -5.256  -7.980   3.973
  265    HD2  PHE  43           HD1      PHE  43  -7.073  -7.868   0.059
  266    HE1  PHE  43           HE2      PHE  43  -4.187 -10.137   3.399
  267    HE2  PHE  43           HE1      PHE  43  -5.954  -9.982  -0.522
  268    HZ   PHE  43           HZ       PHE  43  -4.505 -11.129   1.142
  269    HA   PRO  44           HA       PRO  44 -10.778  -3.955   4.848
  270   1HB   PRO  44          2HB       PRO  44 -11.792  -4.707   7.246
  271   2HB   PRO  44          3HB       PRO  44 -12.415  -5.373   5.710
  272   1HG   PRO  44          2HG       PRO  44 -10.331  -6.627   7.531
  273   2HG   PRO  44          3HG       PRO  44 -11.813  -7.395   6.885
  274   1HD   PRO  44          2HD       PRO  44  -9.392  -7.708   5.691
  275   2HD   PRO  44          3HD       PRO  44 -10.882  -7.540   4.713
  276    H    CYS  45           H        CYS  45 -10.308  -2.192   6.207
  277    HA   CYS  45           HA       CYS  45  -7.635  -2.228   7.440
  278   1HB   CYS  45          2HB       CYS  45  -8.309  -0.406   6.030
  279   2HB   CYS  45          3HB       CYS  45  -9.684  -0.045   7.087
  280    H    LYS  46           H        LYS  46 -10.950  -2.468   8.479
  281    HA   LYS  46           HA       LYS  46 -11.942  -2.915  10.409
  282   1HB   LYS  46          2HB       LYS  46  -9.176  -3.533  11.471
  283   2HB   LYS  46          3HB       LYS  46 -10.691  -3.941  12.244
  284   1HG   LYS  46          2HG       LYS  46  -9.758  -4.947   9.519
  285   2HG   LYS  46          3HG       LYS  46  -9.690  -5.847  11.025
  286   1HD   LYS  46          2HD       LYS  46 -12.211  -4.980   9.537
  287   2HD   LYS  46          3HD       LYS  46 -11.582  -6.614   9.722
  288   1HE   LYS  46          2HE       LYS  46 -12.736  -4.853  11.931
  289   2HE   LYS  46          3HE       LYS  46 -13.471  -6.284  11.208
  290   1HZ   LYS  46          2HZ       LYS  46 -11.662  -7.587  12.072
  291   2HZ   LYS  46          3HZ       LYS  46 -10.987  -6.252  12.768
  292   3HZ   LYS  46          1HZ       LYS  46 -12.454  -6.796  13.282
  293    H    GLU  47           H        GLU  47  -9.205  -0.715  10.932
  294    HA   GLU  47           HA       GLU  47  -9.655   0.324  13.381
  295   1HB   GLU  47          2HB       GLU  47  -9.012   1.837  10.817
  296   2HB   GLU  47          3HB       GLU  47  -8.868   2.524  12.443
  297   1HG   GLU  47          2HG       GLU  47  -7.290   0.660  13.064
  298   2HG   GLU  47          3HG       GLU  47  -7.335   0.095  11.388
  299    H    GLU  48           H        GLU  48 -11.005   1.642  14.461
  300    HA   GLU  48           HA       GLU  48 -13.692   1.901  13.762
  301   1HB   GLU  48          2HB       GLU  48 -11.978   3.567  15.669
  302   2HB   GLU  48          3HB       GLU  48 -13.732   3.685  15.546
  303   1HG   GLU  48          2HG       GLU  48 -13.272   2.276  17.409
  304   2HG   GLU  48          3HG       GLU  48 -13.961   1.272  16.130
  305    H    GLY  49           H        GLY  49 -14.852   3.332  12.547
  306   1HA   GLY  49          2HA       GLY  49 -15.358   5.202  11.288
  307   2HA   GLY  49          3HA       GLY  49 -13.854   5.983  11.805
  308    H    CYS  50           H        CYS  50 -11.824   4.599  10.968
  309    HA   CYS  50           HA       CYS  50 -11.965   4.649   8.039
  310   1HB   CYS  50          2HB       CYS  50 -10.093   5.607   9.346
  311   2HB   CYS  50          3HB       CYS  50  -9.659   3.990   9.904
  312    H    GLU  51           H        GLU  51 -13.712   2.717   8.809
  313    HA   GLU  51           HA       GLU  51 -12.427   0.079   8.777
  314   1HB   GLU  51          2HB       GLU  51 -14.487   0.712  10.110
  315   2HB   GLU  51          3HB       GLU  51 -15.377   0.756   8.572
  316   1HG   GLU  51          2HG       GLU  51 -14.724  -1.629   8.179
  317   2HG   GLU  51          3HG       GLU  51 -13.824  -1.611   9.709
  318    H    LYS  52           H        LYS  52 -11.354   1.076   6.754
  319    HA   LYS  52           HA       LYS  52 -12.797   1.145   4.257
  320   1HB   LYS  52          2HB       LYS  52  -9.890   0.552   4.788
  321   2HB   LYS  52          3HB       LYS  52 -10.534   1.111   3.246
  322   1HG   LYS  52          2HG       LYS  52 -10.566   2.775   5.808
  323   2HG   LYS  52          3HG       LYS  52  -9.258   2.801   4.628
  324   1HD   LYS  52          2HD       LYS  52 -10.852   3.494   2.855
  325   2HD   LYS  52          3HD       LYS  52 -12.180   3.494   4.036
  326   1HE   LYS  52          2HE       LYS  52 -11.087   5.260   5.337
  327   2HE   LYS  52          3HE       LYS  52  -9.654   5.194   4.294
  328   1HZ   LYS  52          1HZ       LYS  52 -12.345   5.970   3.422
  329   2HZ   LYS  52          2HZ       LYS  52 -11.089   6.995   3.718
  330   3HZ   LYS  52          3HZ       LYS  52 -10.993   5.917   2.477
  331    H    GLY  53           H        GLY  53 -12.337  -0.359   2.454
  332   1HA   GLY  53          2HA       GLY  53 -11.920  -3.239   3.189
  333   2HA   GLY  53          3HA       GLY  53 -13.187  -2.685   2.102
  334    H    PHE  54           H        PHE  54  -9.769  -3.437   2.355
  335    HA   PHE  54           HA       PHE  54  -9.243  -2.252  -0.319
  336   1HB   PHE  54          2HB       PHE  54  -7.345  -3.312   1.772
  337   2HB   PHE  54          3HB       PHE  54  -6.894  -2.871   0.141
  338    HD1  PHE  54           HD2      PHE  54  -6.978  -0.546  -0.660
  339    HD2  PHE  54           HD1      PHE  54  -8.170  -1.546   3.359
  340    HE1  PHE  54           HE2      PHE  54  -6.951   1.856  -0.050
  341    HE2  PHE  54           HE1      PHE  54  -7.905   0.842   4.001
  342    HZ   PHE  54           HZ       PHE  54  -7.580   2.548   2.255
  343    H    THR  55           H        THR  55  -8.511  -3.541  -2.056
  344    HA   THR  55           HA       THR  55  -9.481  -6.301  -2.004
  345    HB   THR  55           HB       THR  55  -8.818  -5.856  -4.521
  346    HG1  THR  55          1HG       THR  55  -8.925  -3.580  -4.920
  347   1HG2  THR  55          1HG2      THR  55 -11.146  -6.006  -3.597
  348   2HG2  THR  55          2HG2      THR  55 -11.060  -4.295  -3.140
  349   3HG2  THR  55          3HG2      THR  55 -11.010  -4.761  -4.853
  350    H    SER  56           H        SER  56  -6.434  -4.876  -1.323
  351    HA   SER  56           HA       SER  56  -5.257  -7.543  -1.557
  352   1HB   SER  56          2HB       SER  56  -3.339  -6.877  -2.846
  353   2HB   SER  56          3HB       SER  56  -4.816  -6.575  -3.788
  354    HG   SER  56           HG       SER  56  -4.565  -4.418  -3.385
  355    H    LEU  57           H        LEU  57  -3.462  -7.832  -0.248
  356    HA   LEU  57           HA       LEU  57  -3.205  -6.286   2.096
  357   1HB   LEU  57          2HB       LEU  57  -2.444  -8.637   1.880
  358   2HB   LEU  57          3HB       LEU  57  -1.234  -8.159   0.693
  359    HG   LEU  57           HG       LEU  57  -0.019  -6.882   2.406
  360   1HD1  LEU  57          3HD1      LEU  57  -2.217  -7.844   4.298
  361   2HD1  LEU  57          1HD1      LEU  57  -0.675  -7.130   4.815
  362   3HD1  LEU  57          2HD1      LEU  57  -1.823  -6.154   3.897
  363   1HD2  LEU  57          3HD2      LEU  57   0.467  -9.280   2.051
  364   2HD2  LEU  57          1HD2      LEU  57   0.750  -8.793   3.733
  365   3HD2  LEU  57          2HD2      LEU  57  -0.712  -9.708   3.308
  366    H    HIS  58           H        HIS  58  -1.534  -6.228  -1.048
  367    HA   HIS  58           HA       HIS  58   0.467  -4.363  -0.312
  368   1HB   HIS  58          2HB       HIS  58   1.261  -4.733  -2.322
  369   2HB   HIS  58          3HB       HIS  58   0.058  -5.978  -2.462
  370    HD1  HIS  58           HD1      HIS  58  -1.012  -5.788  -4.842
  371    HD2  HIS  58           HD2      HIS  58   0.257  -2.137  -3.183
  372    HE1  HIS  58           HE1      HIS  58  -1.427  -3.988  -6.599
  373    H    HIS  59           H        HIS  59  -2.814  -3.846  -1.816
  374    HA   HIS  59           HA       HIS  59  -2.586  -1.006  -1.964
  375   1HB   HIS  59          2HB       HIS  59  -5.056  -2.709  -1.483
  376   2HB   HIS  59          3HB       HIS  59  -5.045  -0.963  -1.777
  377    HD1  HIS  59           HD1      HIS  59  -2.515  -2.275  -4.056
  378    HD2  HIS  59           HD2      HIS  59  -6.729  -2.100  -3.865
  379    HE1  HIS  59           HE1      HIS  59  -3.369  -2.678  -6.415
  380    HE2  HIS  59           HE2      HIS  59  -5.897  -2.527  -6.337
  381    H    LEU  60           H        LEU  60  -3.732  -3.179   0.657
  382    HA   LEU  60           HA       LEU  60  -4.381  -1.187   2.525
  383   1HB   LEU  60          2HB       LEU  60  -4.846  -3.692   2.664
  384   2HB   LEU  60          3HB       LEU  60  -3.168  -3.903   3.163
  385    HG   LEU  60           HG       LEU  60  -3.644  -2.318   5.111
  386   1HD1  LEU  60          1HD1      LEU  60  -6.509  -2.849   4.193
  387   2HD1  LEU  60          2HD1      LEU  60  -6.050  -2.141   5.757
  388   3HD1  LEU  60          3HD1      LEU  60  -5.713  -1.258   4.269
  389   1HD2  LEU  60          2HD2      LEU  60  -3.508  -4.774   5.365
  390   2HD2  LEU  60          3HD2      LEU  60  -4.735  -4.076   6.437
  391   3HD2  LEU  60          1HD2      LEU  60  -5.233  -4.914   4.955
  392    H    THR  61           H        THR  61  -1.243  -2.728   1.801
  393    HA   THR  61           HA       THR  61   0.267  -1.549   3.881
  394    HB   THR  61           HB       THR  61   1.268  -2.315   1.119
  395    HG1  THR  61          1HG       THR  61   0.149  -3.993   2.343
  396   1HG2  THR  61          3HG2      THR  61   2.693  -2.049   3.796
  397   2HG2  THR  61          1HG2      THR  61   3.401  -2.696   2.306
  398   3HG2  THR  61          2HG2      THR  61   2.923  -0.994   2.383
  399    H    ARG  62           H        ARG  62  -0.226  -0.352   0.450
  400    HA   ARG  62           HA       ARG  62   1.231   2.050   1.084
  401   1HB   ARG  62          2HB       ARG  62   0.493   3.071  -0.889
  402   2HB   ARG  62          3HB       ARG  62   1.044   1.425  -1.214
  403   1HG   ARG  62          2HG       ARG  62  -1.188   0.661  -1.576
  404   2HG   ARG  62          3HG       ARG  62  -1.909   2.166  -0.957
  405   1HD   ARG  62          2HD       ARG  62  -1.115   3.463  -2.761
  406   2HD   ARG  62          3HD       ARG  62  -0.057   2.206  -3.361
  407    HE   ARG  62           HE       ARG  62  -2.942   2.493  -3.802
  408   1HH1  ARG  62          2HH1      ARG  62  -0.278   0.218  -3.726
  409   2HH1  ARG  62          1HH1      ARG  62  -0.903  -0.824  -4.988
  410   1HH2  ARG  62          2HH2      ARG  62  -3.880   1.048  -5.444
  411   2HH2  ARG  62          1HH2      ARG  62  -2.845  -0.186  -6.092
  412    H    HIS  63           H        HIS  63  -2.259   1.250   1.360
  413    HA   HIS  63           HA       HIS  63  -3.152   3.861   2.033
  414   1HB   HIS  63          2HB       HIS  63  -4.759   2.129   1.659
  415   2HB   HIS  63          3HB       HIS  63  -4.098   1.125   2.952
  416    HD1  HIS  63           HD1      HIS  63  -5.495   4.757   2.883
  417    HD2  HIS  63           HD2      HIS  63  -5.492   1.206   5.141
  418    HE1  HIS  63           HE1      HIS  63  -6.808   5.238   5.026
  419    H    SER  64           H        SER  64  -1.626   1.330   4.062
  420    HA   SER  64           HA       SER  64  -1.895   2.620   6.539
  421   1HB   SER  64          2HB       SER  64   0.435   0.864   5.711
  422   2HB   SER  64          3HB       SER  64  -0.134   1.235   7.351
  423    HG   SER  64           HG       SER  64  -1.674  -0.100   5.355
  424    H    LEU  65           H        LEU  65   0.122   3.657   3.858
  425    HA   LEU  65           HA       LEU  65   2.118   5.079   5.301
  426   1HB   LEU  65          2HB       LEU  65   0.750   5.836   2.709
  427   2HB   LEU  65          3HB       LEU  65   2.224   6.558   3.342
  428    HG   LEU  65           HG       LEU  65   2.009   3.616   2.611
  429   1HD1  LEU  65          3HD1      LEU  65   1.702   5.096   0.645
  430   2HD1  LEU  65          1HD1      LEU  65   3.170   5.977   1.109
  431   3HD1  LEU  65          2HD1      LEU  65   3.278   4.279   0.585
  432   1HD2  LEU  65          3HD2      LEU  65   4.430   5.371   3.177
  433   2HD2  LEU  65          1HD2      LEU  65   3.821   4.075   4.240
  434   3HD2  LEU  65          2HD2      LEU  65   4.466   3.681   2.645
  435    H    THR  66           H        THR  66  -1.320   5.758   4.620
  436    HA   THR  66           HA       THR  66  -1.235   8.503   5.453
  437    HB   THR  66           HB       THR  66  -3.617   8.460   5.395
  438    HG1  THR  66          1HG       THR  66  -3.454   5.637   5.135
  439   1HG2  THR  66          1HG2      THR  66  -2.360   8.403   3.211
  440   2HG2  THR  66          2HG2      THR  66  -2.637   6.653   3.128
  441   3HG2  THR  66          3HG2      THR  66  -4.015   7.766   3.115
  442    H    HIS  67           H        HIS  67  -1.713   5.454   7.227
  443    HA   HIS  67           HA       HIS  67  -2.544   6.799   9.695
  444   1HB   HIS  67          2HB       HIS  67  -1.694   3.947   9.031
  445   2HB   HIS  67          3HB       HIS  67  -2.043   4.490  10.671
  446    HD1  HIS  67           HD1      HIS  67  -4.627   5.635  10.956
  447    HD2  HIS  67           HD2      HIS  67  -3.808   3.091   7.702
  448    HE1  HIS  67           HE1      HIS  67  -6.882   4.929   9.998
  449    H    THR  68           H        THR  68   0.428   5.232   8.459
  450    HA   THR  68           HA       THR  68   2.007   5.875  10.796
  451    HB   THR  68           HB       THR  68   3.933   5.346   9.242
  452    HG1  THR  68          1HG       THR  68   1.866   4.659   7.421
  453   1HG2  THR  68          2HG2      THR  68   1.634   3.325   9.312
  454   2HG2  THR  68          3HG2      THR  68   3.343   2.958   8.998
  455   3HG2  THR  68          1HG2      THR  68   2.846   3.574  10.586
  456    H    GLY  69           H        GLY  69   1.086   7.667   7.912
  457   1HA   GLY  69          2HA       GLY  69   1.217   9.920   7.520
  458   2HA   GLY  69          3HA       GLY  69   2.207  10.155   8.972
  459    H    GLU  70           H        GLU  70   2.963   7.676   6.587
  460    HA   GLU  70           HA       GLU  70   5.603   8.882   6.115
  461   1HB   GLU  70          2HB       GLU  70   4.298   6.264   5.359
  462   2HB   GLU  70          3HB       GLU  70   5.930   6.693   4.821
  463   1HG   GLU  70          2HG       GLU  70   5.162   6.722   7.766
  464   2HG   GLU  70          3HG       GLU  70   5.749   5.271   6.944
  465    H    LYS  71           H        LYS  71   3.905  10.631   5.215
  466    HA   LYS  71           HA       LYS  71   3.481  10.445   2.293
  467   1HB   LYS  71          2HB       LYS  71   1.888  11.520   3.859
  468   2HB   LYS  71          3HB       LYS  71   3.143  12.658   4.355
  469   1HG   LYS  71          2HG       LYS  71   3.180  13.621   2.070
  470   2HG   LYS  71          3HG       LYS  71   1.955  12.441   1.553
  471   1HD   LYS  71          2HD       LYS  71   0.423  13.294   3.358
  472   2HD   LYS  71          3HD       LYS  71   1.630  14.515   3.789
  473   1HE   LYS  71          2HE       LYS  71   0.259  14.254   1.079
  474   2HE   LYS  71          3HE       LYS  71  -0.209  15.392   2.353
  475   1HZ   LYS  71          1HZ       LYS  71   1.981  16.370   2.190
  476   2HZ   LYS  71          2HZ       LYS  71   2.363  15.365   0.933
  477   3HZ   LYS  71          3HZ       LYS  71   1.153  16.458   0.765
  478    H    ASN  72           H        ASN  72   5.871   9.825   2.258
  479    HA   ASN  72           HA       ASN  72   7.697  12.200   2.561
  480   1HB   ASN  72          2HB       ASN  72   8.355   9.252   2.728
  481   2HB   ASN  72          3HB       ASN  72   9.431  10.601   3.121
  482   1HD2  ASN  72          1HD2      ASN  72   8.064   9.106   6.293
  483   2HD2  ASN  72          2HD2      ASN  72   8.948   8.475   4.919
  484    H    PHE  73           H        PHE  73   6.261  10.738  -0.047
  485    HA   PHE  73           HA       PHE  73   8.731  10.272  -1.567
  486   1HB   PHE  73          2HB       PHE  73   5.837  10.385  -2.455
  487   2HB   PHE  73          3HB       PHE  73   7.220  10.047  -3.490
  488    HD1  PHE  73           HD1      PHE  73   8.841   8.180  -2.772
  489    HD2  PHE  73           HD2      PHE  73   4.993   8.666  -0.934
  490    HE1  PHE  73           HE1      PHE  73   9.062   5.966  -1.727
  491    HE2  PHE  73           HE2      PHE  73   5.144   6.391   0.007
  492    HZ   PHE  73           HZ       PHE  73   7.186   5.022  -0.371
  493    H    THR  74           H        THR  74   9.738  12.111  -1.096
  494    HA   THR  74           HA       THR  74   8.805  14.748  -1.706
  495    HB   THR  74           HB       THR  74  11.615  13.784  -1.122
  496    HG1  THR  74          1HG       THR  74  10.082  13.074   0.470
  497   1HG2  THR  74          1HG2      THR  74  10.214  16.458  -0.647
  498   2HG2  THR  74          2HG2      THR  74  11.859  16.041  -0.134
  499   3HG2  THR  74          3HG2      THR  74  11.483  16.147  -1.863
  500    H    CYS  75           H        CYS  75   8.645  15.580  -3.696
  501    HA   CYS  75           HA       CYS  75   9.856  14.575  -6.079
  502   1HB   CYS  75          2HB       CYS  75   7.961  15.932  -6.309
  503   2HB   CYS  75          3HB       CYS  75   8.595  17.199  -5.245
  504    H    ASP  76           H        ASP  76  12.015  14.483  -6.399
  505    HA   ASP  76           HA       ASP  76  13.870  16.084  -4.879
  506   1HB   ASP  76          2HB       ASP  76  14.345  13.780  -5.468
  507   2HB   ASP  76          3HB       ASP  76  14.290  14.172  -7.203
  508    H    SER  77           H        SER  77  12.809  18.125  -5.598
  509    HA   SER  77           HA       SER  77  14.411  19.364  -7.752
  510   1HB   SER  77          2HB       SER  77  12.275  18.691  -8.839
  511   2HB   SER  77          3HB       SER  77  11.367  19.570  -7.597
  512    HG   SER  77           HG       SER  77  12.393  21.488  -8.334
  513    H    ASP  78           H        ASP  78  15.397  20.991  -6.667
  514    HA   ASP  78           HA       ASP  78  14.870  21.822  -4.081
  515   1HB   ASP  78          2HB       ASP  78  16.063  23.465  -6.360
  516   2HB   ASP  78          3HB       ASP  78  16.212  23.839  -4.638
  517    H    GLY  79           H        GLY  79  13.548  23.333  -3.103
  518   1HA   GLY  79          2HA       GLY  79  11.992  25.040  -2.898
  519   2HA   GLY  79          3HA       GLY  79  11.998  25.305  -4.650
  520    H    CYS  80           H        CYS  80  11.283  23.062  -5.815
  521    HA   CYS  80           HA       CYS  80   8.504  22.588  -4.977
  522   1HB   CYS  80          2HB       CYS  80   9.143  22.912  -7.341
  523   2HB   CYS  80          3HB       CYS  80  10.135  21.461  -7.277
  524    H    ASP  81           H        ASP  81  10.044  21.748  -2.902
  525    HA   ASP  81           HA       ASP  81  10.609  18.859  -3.125
  526   1HB   ASP  81          2HB       ASP  81  10.729  20.757  -0.767
  527   2HB   ASP  81          3HB       ASP  81  11.260  19.071  -0.767
  528    H    LEU  82           H        LEU  82   8.132  19.080  -3.928
  529    HA   LEU  82           HA       LEU  82   6.120  19.069  -1.845
  530   1HB   LEU  82          2HB       LEU  82   6.142  18.197  -4.746
  531   2HB   LEU  82          3HB       LEU  82   4.689  18.107  -3.737
  532    HG   LEU  82           HG       LEU  82   6.231  20.660  -4.391
  533   1HD1  LEU  82          3HD1      LEU  82   5.147  19.619  -6.372
  534   2HD1  LEU  82          2HD1      LEU  82   3.600  19.575  -5.500
  535   3HD1  LEU  82          1HD1      LEU  82   4.349  21.132  -5.913
  536   1HD2  LEU  82          2HD2      LEU  82   3.535  20.199  -3.017
  537   2HD2  LEU  82          3HD2      LEU  82   4.986  20.919  -2.280
  538   3HD2  LEU  82          1HD2      LEU  82   4.136  21.775  -3.567
  539    H    ARG  83           H        ARG  83   5.576  17.468  -0.525
  540    HA   ARG  83           HA       ARG  83   6.784  14.779  -0.798
  541   1HB   ARG  83          2HB       ARG  83   5.262  16.206   1.406
  542   2HB   ARG  83          3HB       ARG  83   5.821  14.537   1.484
  543   1HG   ARG  83          2HG       ARG  83   8.149  15.185   1.234
  544   2HG   ARG  83          3HG       ARG  83   7.698  16.882   1.003
  545   1HD   ARG  83          2HD       ARG  83   8.491  16.504   3.258
  546   2HD   ARG  83          3HD       ARG  83   6.770  16.972   3.271
  547    HE   ARG  83           HE       ARG  83   6.727  14.188   3.293
  548   1HH1  ARG  83          1HH1      ARG  83   7.859  16.792   5.378
  549   2HH1  ARG  83          2HH1      ARG  83   7.747  15.855   6.844
  550   1HH2  ARG  83          1HH2      ARG  83   6.767  12.877   5.173
  551   2HH2  ARG  83          2HH2      ARG  83   7.031  13.616   6.722
  552    H    PHE  84           H        PHE  84   5.645  13.318  -1.927
  553    HA   PHE  84           HA       PHE  84   2.682  13.511  -2.001
  554   1HB   PHE  84          2HB       PHE  84   4.632  11.973  -3.745
  555   2HB   PHE  84          3HB       PHE  84   2.887  11.927  -3.915
  556    HD1  PHE  84           HD1      PHE  84   5.883  14.140  -4.218
  557    HD2  PHE  84           HD2      PHE  84   1.668  13.699  -5.069
  558    HE1  PHE  84           HE1      PHE  84   5.923  16.188  -5.564
  559    HE2  PHE  84           HE2      PHE  84   1.780  15.681  -6.526
  560    HZ   PHE  84           HZ       PHE  84   3.833  17.071  -6.573
  561    H    THR  85           H        THR  85   1.443  11.482  -1.957
  562    HA   THR  85           HA       THR  85   2.084   9.867   0.353
  563    HB   THR  85           HB       THR  85  -0.133   8.794  -0.494
  564    HG1  THR  85          1HG       THR  85  -1.211  10.251  -1.957
  565   1HG2  THR  85          2HG2      THR  85   0.040  10.497   1.341
  566   2HG2  THR  85          3HG2      THR  85  -0.138  11.783   0.125
  567   3HG2  THR  85          1HG2      THR  85  -1.449  10.611   0.401
  568    H    THR  86           H        THR  86   2.370   9.376  -3.186
  569    HA   THR  86           HA       THR  86   3.620   6.749  -2.590
  570    HB   THR  86           HB       THR  86   2.416   5.717  -4.456
  571    HG1  THR  86          1HG       THR  86   0.596   7.855  -4.480
  572   1HG2  THR  86          3HG2      THR  86   1.478   5.434  -2.158
  573   2HG2  THR  86          1HG2      THR  86   0.402   6.815  -2.444
  574   3HG2  THR  86          2HG2      THR  86   0.251   5.354  -3.432
  575    H    LYS  87           H        LYS  87   5.048   6.030  -4.271
  576    HA   LYS  87           HA       LYS  87   6.514   8.099  -5.533
  577   1HB   LYS  87          2HB       LYS  87   6.375   5.107  -6.160
  578   2HB   LYS  87          3HB       LYS  87   7.442   6.265  -6.981
  579   1HG   LYS  87          2HG       LYS  87   8.430   6.906  -4.819
  580   2HG   LYS  87          3HG       LYS  87   7.495   5.618  -4.021
  581   1HD   LYS  87          2HD       LYS  87   8.604   3.910  -5.303
  582   2HD   LYS  87          3HD       LYS  87   9.382   5.097  -6.366
  583   1HE   LYS  87          2HE       LYS  87   9.981   4.714  -3.405
  584   2HE   LYS  87          3HE       LYS  87  10.969   4.152  -4.758
  585   1HZ   LYS  87          3HZ       LYS  87  11.263   6.421  -5.428
  586   2HZ   LYS  87          1HZ       LYS  87  10.391   6.955  -4.134
  587   3HZ   LYS  87          2HZ       LYS  87  11.816   6.166  -3.898
  588    H    ALA  88           H        ALA  88   3.865   5.970  -6.755
  589    HA   ALA  88           HA       ALA  88   4.025   6.903  -9.420
  590   1HB   ALA  88          3HB       ALA  88   2.765   4.939  -8.807
  591   2HB   ALA  88          1HB       ALA  88   1.542   5.938  -7.964
  592   3HB   ALA  88          2HB       ALA  88   1.782   6.107  -9.728
  593    H    ASN  89           H        ASN  89   2.185   8.303  -6.609
  594    HA   ASN  89           HA       ASN  89   0.959  10.374  -8.182
  595   1HB   ASN  89          2HB       ASN  89   1.704  10.243  -5.233
  596   2HB   ASN  89          3HB       ASN  89   0.871  11.622  -5.970
  597   1HD2  ASN  89          1HD2      ASN  89  -1.733   9.314  -4.546
  598   2HD2  ASN  89          2HD2      ASN  89  -0.318  10.085  -3.831
  599    H    MET  90           H        MET  90   4.090  10.256  -6.439
  600    HA   MET  90           HA       MET  90   4.980  12.878  -7.060
  601   1HB   MET  90          2HB       MET  90   6.045  11.344  -5.426
  602   2HB   MET  90          3HB       MET  90   6.552  10.298  -6.746
  603   1HG   MET  90          2HG       MET  90   7.946  12.170  -7.656
  604   2HG   MET  90          3HG       MET  90   7.490  13.124  -6.239
  605   1HE   MET  90          1HE       MET  90   9.273   9.881  -7.566
  606   2HE   MET  90          2HE       MET  90  10.133   9.305  -6.111
  607   3HE   MET  90          3HE       MET  90   8.382   9.142  -6.216
  608    H    LYS  91           H        LYS  91   5.309   9.821  -8.911
  609    HA   LYS  91           HA       LYS  91   6.774  10.968 -11.106
  610   1HB   LYS  91          2HB       LYS  91   5.056   8.467 -10.954
  611   2HB   LYS  91          3HB       LYS  91   6.081   8.900 -12.319
  612   1HG   LYS  91          2HG       LYS  91   7.118   8.376  -9.487
  613   2HG   LYS  91          3HG       LYS  91   7.110   7.229 -10.830
  614   1HD   LYS  91          2HD       LYS  91   8.547   8.940 -12.105
  615   2HD   LYS  91          3HD       LYS  91   8.682   9.825 -10.562
  616   1HE   LYS  91          2HE       LYS  91   9.617   7.787  -9.482
  617   2HE   LYS  91          3HE       LYS  91   9.521   6.926 -11.030
  618   1HZ   LYS  91          2HZ       LYS  91  11.025   8.532 -11.950
  619   2HZ   LYS  91          3HZ       LYS  91  11.120   9.333 -10.512
  620   3HZ   LYS  91          1HZ       LYS  91  11.693   7.794 -10.637
  621    H    LYS  92           H        LYS  92   3.231  10.431 -10.666
  622    HA   LYS  92           HA       LYS  92   2.498  11.445 -13.215
  623   1HB   LYS  92          2HB       LYS  92   0.970  11.581 -10.579
  624   2HB   LYS  92          3HB       LYS  92   0.346  12.084 -12.154
  625   1HG   LYS  92          2HG       LYS  92   1.208   9.599 -12.839
  626   2HG   LYS  92          3HG       LYS  92   0.863   9.327 -11.123
  627   1HD   LYS  92          2HD       LYS  92  -1.142  10.605 -13.014
  628   2HD   LYS  92          3HD       LYS  92  -1.039   8.854 -12.786
  629   1HE   LYS  92          2HE       LYS  92  -1.340  10.769 -10.458
  630   2HE   LYS  92          3HE       LYS  92  -2.740  10.089 -11.331
  631   1HZ   LYS  92          2HZ       LYS  92  -1.959   7.918 -10.773
  632   2HZ   LYS  92          3HZ       LYS  92  -0.673   8.543  -9.931
  633   3HZ   LYS  92          1HZ       LYS  92  -2.215   8.823  -9.418
  634    H    HIS  93           H        HIS  93   2.984  13.174 -10.078
  635    HA   HIS  93           HA       HIS  93   2.503  15.792 -11.065
  636   1HB   HIS  93          2HB       HIS  93   2.754  15.596  -8.751
  637   2HB   HIS  93          3HB       HIS  93   4.243  14.676  -8.861
  638    HD1  HIS  93           HD1      HIS  93   3.158  18.344  -9.637
  639    HD2  HIS  93           HD2      HIS  93   6.487  15.946  -8.679
  640    HE1  HIS  93           HE1      HIS  93   5.131  19.921  -9.291
  641    H    PHE  94           H        PHE  94   5.621  13.985 -10.910
  642    HA   PHE  94           HA       PHE  94   7.195  15.950 -12.117
  643   1HB   PHE  94          2HB       PHE  94   7.858  13.706 -11.027
  644   2HB   PHE  94          3HB       PHE  94   7.630  12.989 -12.616
  645    HD1  PHE  94           HD1      PHE  94   9.146  13.695 -14.520
  646    HD2  PHE  94           HD2      PHE  94   9.688  15.203 -10.509
  647    HE1  PHE  94           HE1      PHE  94  11.395  14.537 -15.131
  648    HE2  PHE  94           HE2      PHE  94  11.927  16.052 -11.132
  649    HZ   PHE  94           HZ       PHE  94  12.795  15.703 -13.439
  650    H    ASN  95           H        ASN  95   5.399  13.330 -13.672
  651    HA   ASN  95           HA       ASN  95   6.013  13.773 -16.387
  652   1HB   ASN  95          2HB       ASN  95   3.752  12.465 -14.911
  653   2HB   ASN  95          3HB       ASN  95   3.611  12.750 -16.653
  654   1HD2  ASN  95          1HD2      ASN  95   6.083   9.814 -15.267
  655   2HD2  ASN  95          2HD2      ASN  95   5.278  10.920 -14.152
  656    H    ARG  96           H        ARG  96   3.419  15.108 -14.327
  657    HA   ARG  96           HA       ARG  96   2.185  16.696 -16.400
  658   1HB   ARG  96          2HB       ARG  96   1.967  16.602 -13.379
  659   2HB   ARG  96          3HB       ARG  96   1.010  17.709 -14.372
  660   1HG   ARG  96          2HG       ARG  96  -0.133  15.892 -15.456
  661   2HG   ARG  96          3HG       ARG  96   0.957  14.686 -14.748
  662   1HD   ARG  96          2HD       ARG  96   0.200  15.324 -12.474
  663   2HD   ARG  96          3HD       ARG  96  -0.926  16.509 -13.183
  664    HE   ARG  96           HE       ARG  96  -1.495  14.022 -14.364
  665   1HH1  ARG  96          1HH2      ARG  96  -1.572  15.458 -11.145
  666   2HH1  ARG  96          2HH2      ARG  96  -2.900  14.480 -10.555
  667   1HH2  ARG  96          2HH1      ARG  96  -3.238  12.707 -13.610
  668   2HH2  ARG  96          1HH1      ARG  96  -3.827  12.891 -11.974
  669    H    PHE  97           H        PHE  97   4.811  17.339 -14.094
  670    HA   PHE  97           HA       PHE  97   4.698  20.270 -14.754
  671   1HB   PHE  97          2HB       PHE  97   5.696  18.753 -12.338
  672   2HB   PHE  97          3HB       PHE  97   6.163  20.407 -12.678
  673    HD1  PHE  97           HD1      PHE  97   2.939  18.439 -12.591
  674    HD2  PHE  97           HD2      PHE  97   5.044  22.013 -11.421
  675    HE1  PHE  97           HE1      PHE  97   0.942  19.221 -11.406
  676    HE2  PHE  97           HE2      PHE  97   3.101  22.689 -10.049
  677    HZ   PHE  97           HZ       PHE  97   1.057  21.269  -9.986
  678    H    HIS  98           H        HIS  98   7.298  18.003 -13.749
  679    HA   HIS  98           HA       HIS  98   9.282  19.806 -14.837
  680   1HB   HIS  98          2HB       HIS  98   9.483  17.072 -13.559
  681   2HB   HIS  98          3HB       HIS  98  10.870  18.087 -13.987
  682    HD1  HIS  98           HD1      HIS  98  10.743  20.672 -12.764
  683    HD2  HIS  98           HD2      HIS  98   8.496  17.501 -11.146
  684    HE1  HIS  98           HE1      HIS  98  10.073  21.370 -10.398
  685    H    ASN  99           H        ASN  99   7.744  16.862 -15.944
  686    HA   ASN  99           HA       ASN  99   9.698  16.271 -18.030
  687   1HB   ASN  99          2HB       ASN  99   8.377  14.440 -17.435
  688   2HB   ASN  99          3HB       ASN  99   6.944  15.456 -17.270
  689   1HD2  ASN  99          1HD2      ASN  99   5.692  14.780 -20.444
  690   2HD2  ASN  99          2HD2      ASN  99   5.413  15.395 -18.815
  691    H    ILE 100           H        ILE 100   6.746  18.309 -17.781
  692    HA   ILE 100           HA       ILE 100   6.942  18.956 -20.662
  693    HB   ILE 100           HB       ILE 100   5.110  20.468 -20.340
  694   1HG1  ILE 100          2HG1      ILE 100   4.905  19.499 -17.465
  695   2HG1  ILE 100          3HG1      ILE 100   5.540  21.081 -17.917
  696   1HG2  ILE 100          2HG2      ILE 100   4.825  18.030 -20.855
  697   2HG2  ILE 100          3HG2      ILE 100   4.557  17.724 -19.129
  698   3HG2  ILE 100          1HG2      ILE 100   3.424  18.732 -20.048
  699   1HD1  ILE 100          3HD1      ILE 100   3.409  21.641 -19.059
  700   2HD1  ILE 100          1HD1      ILE 100   2.711  20.128 -18.434
  701   3HD1  ILE 100          2HD1      ILE 100   3.255  21.383 -17.312
  702    H    LYS 101           H        LYS 101   7.634  20.578 -17.532
  703    HA   LYS 101           HA       LYS 101   9.404  22.513 -18.999
  704   1HB   LYS 101          2HB       LYS 101   7.658  22.868 -16.526
  705   2HB   LYS 101          3HB       LYS 101   9.091  23.851 -16.827
  706   1HG   LYS 101          2HG       LYS 101   7.341  25.139 -17.577
  707   2HG   LYS 101          3HG       LYS 101   8.168  24.564 -19.029
  708   1HD   LYS 101          2HD       LYS 101   6.395  22.868 -19.367
  709   2HD   LYS 101          3HD       LYS 101   5.584  23.396 -17.878
  710   1HE   LYS 101          2HE       LYS 101   6.065  25.109 -20.366
  711   2HE   LYS 101          3HE       LYS 101   4.547  24.292 -19.960
  712   1HZ   LYS 101          3HZ       LYS 101   4.443  25.599 -17.961
  713   2HZ   LYS 101          1HZ       LYS 101   5.830  26.393 -18.363
  714   3HZ   LYS 101          2HZ       LYS 101   4.487  26.557 -19.299
  715   1H5*    T   1          1H5*        T   1  -5.878  22.358 -16.937
  716   2H5*    T   1          2H5*        T   1  -4.340  21.535 -17.298
  717    H4*    T   1           H4*        T   1  -4.711  22.282 -14.848
  718    H3*    T   1           H3*        T   1  -3.759  19.637 -15.778
  719   1H2*    T   1          1H2*        T   1  -5.088  18.500 -14.334
  720   2H2*    T   1          2H2*        T   1  -4.092  19.133 -13.002
  721    H1*    T   1           H1*        T   1  -5.501  21.053 -12.721
  722    H3     T   1           H3         T   1  -8.818  19.233 -10.145
  723   1H5M    T   1          1H5M        T   1 -10.386  17.873 -14.786
  724   2H5M    T   1          2H5M        T   1  -9.047  16.704 -14.880
  725   3H5M    T   1          3H5M        T   1 -10.298  16.522 -13.640
  726    H6     T   1           H6         T   1  -7.474  18.599 -14.715
  727    H5T    T   1           H5T        T   1  -6.692  20.200 -16.500
  728   1H5*    T   2          1H5*        T   2  -2.555  21.452 -11.796
  729   2H5*    T   2          2H5*        T   2  -0.862  21.166 -11.361
  730    H4*    T   2           H4*        T   2  -2.316  20.820  -9.404
  731    H3*    T   2           H3*        T   2  -0.946  18.421 -10.583
  732   1H2*    T   2          1H2*        T   2  -2.505  17.027  -9.896
  733   2H2*    T   2          2H2*        T   2  -2.311  17.550  -8.194
  734    H1*    T   2           H1*        T   2  -3.952  19.173  -8.374
  735    H3     T   2           H3         T   2  -7.832  16.779  -8.445
  736   1H5M    T   2          1H5M        T   2  -5.749  14.754 -12.524
  737   2H5M    T   2          2H5M        T   2  -7.198  15.676 -12.961
  738   3H5M    T   2          3H5M        T   2  -5.592  16.324 -13.342
  739    H6     T   2           H6         T   2  -4.214  17.246 -11.564
  740   1H5*    G   3          1H5*        G   3  -0.745  18.945  -5.944
  741   2H5*    G   3          2H5*        G   3   0.718  18.181  -5.294
  742    H4*    G   3           H4*        G   3  -1.379  17.658  -4.054
  743    H3*    G   3           H3*        G   3   0.606  15.862  -4.446
  744   1H2*    G   3          1H2*        G   3  -0.461  14.936  -6.488
  745   2H2*    G   3          2H2*        G   3  -0.987  13.765  -5.245
  746    H1*    G   3           H1*        G   3  -2.971  15.088  -4.761
  747    H8     G   3           H8         G   3  -1.728  14.634  -8.417
  748    H1     G   3           H1         G   3  -7.988  13.623  -7.392
  749   1H2     G   3           H21        G   3  -8.378  13.897  -5.118
  750   2H2     G   3           H22        G   3  -7.111  14.537  -4.097
  751   1H5*    G   4          1H5*        G   4  -2.635  15.621  -1.182
  752   2H5*    G   4          2H5*        G   4  -1.943  14.907   0.285
  753    H4*    G   4           H4*        G   4  -4.381  14.650   0.251
  754    H3*    G   4           H3*        G   4  -2.657  12.552   0.756
  755   1H2*    G   4          1H2*        G   4  -2.750  11.628  -1.444
  756   2H2*    G   4          2H2*        G   4  -4.079  10.697  -0.711
  757    H1*    G   4           H1*        G   4  -5.721  12.232  -1.502
  758    H8     G   4           H8         G   4  -2.517  12.734  -3.709
  759    H1     G   4           H1         G   4  -7.552  10.208  -6.774
  760   1H2     G   4           H21        G   4  -9.076   9.514  -5.186
  761   2H2     G   4           H22        G   4  -8.914  10.071  -3.531
  762   1H5*    A   5          1H5*        A   5  -7.068  10.932   0.692
  763   2H5*    A   5          2H5*        A   5  -7.287   9.722   1.974
  764    H4*    A   5           H4*        A   5  -8.191   8.934  -0.159
  765    H3*    A   5           H3*        A   5  -6.208   7.406   1.315
  766   1H2*    A   5          1H2*        A   5  -4.683   7.543  -0.461
  767   2H2*    A   5          2H2*        A   5  -5.600   6.123  -1.045
  768    H1*    A   5           H1*        A   5  -7.164   7.587  -2.242
  769    H8     A   5           H8         A   5  -3.488   8.928  -2.085
  770   1H6     A   5           H61        A   5  -3.814   8.632  -8.253
  771   2H6     A   5           H62        A   5  -2.730   8.978  -6.912
  772    H2     A   5           H2         A   5  -7.529   6.904  -6.632
  773   1H5*    T   6          1H5*        T   6  -9.792   5.296  -1.281
  774   2H5*    T   6          2H5*        T   6 -10.094   3.750  -0.460
  775    H4*    T   6           H4*        T   6 -10.516   3.629  -2.902
  776    H3*    T   6           H3*        T   6  -8.963   1.758  -1.439
  777   1H2*    T   6          1H2*        T   6  -6.957   2.415  -2.343
  778   2H2*    T   6          2H2*        T   6  -7.368   1.232  -3.583
  779    H1*    T   6           H1*        T   6  -8.502   2.909  -4.939
  780    H3     T   6           H3         T   6  -4.995   4.584  -7.337
  781   1H5M    T   6          1H5M        T   6  -3.283   4.277  -2.333
  782   2H5M    T   6          2H5M        T   6  -2.456   5.333  -3.502
  783   3H5M    T   6          3H5M        T   6  -3.731   5.981  -2.468
  784    H6     T   6           H6         T   6  -5.910   4.244  -2.626
  785   1H5*    G   7          1H5*        G   7 -11.405   0.413  -5.539
  786   2H5*    G   7          2H5*        G   7 -11.756  -1.307  -5.274
  787    H4*    G   7           H4*        G   7 -11.556  -0.752  -7.669
  788    H3*    G   7           H3*        G   7 -10.410  -2.997  -6.540
  789   1H2*    G   7          1H2*        G   7  -8.294  -1.950  -6.174
  790   2H2*    G   7          2H2*        G   7  -7.978  -2.770  -7.700
  791    H1*    G   7           H1*        G   7  -8.545  -0.807  -8.991
  792    H8     G   7           H8         G   7  -7.380   0.022  -5.369
  793    H1     G   7           H1         G   7  -3.468   2.180  -9.959
  794   1H2     G   7           H21        G   7  -4.366   1.679 -12.019
  795   2H2     G   7           H22        G   7  -5.877   0.794 -12.123
  796   1H5*    G   8          1H5*        G   8  -9.847  -2.226 -11.300
  797   2H5*    G   8          2H5*        G   8 -10.087  -3.832 -12.023
  798    H4*    G   8           H4*        G   8  -8.591  -2.438 -13.371
  799    H3*    G   8           H3*        G   8  -8.138  -5.110 -12.766
  800   1H2*    G   8          1H2*        G   8  -6.659  -4.611 -10.967
  801   2H2*    G   8          2H2*        G   8  -5.461  -4.847 -12.248
  802    H1*    G   8           H1*        G   8  -5.434  -2.476 -12.780
  803    H8     G   8           H8         G   8  -6.487  -3.226  -9.129
  804    H1     G   8           H1         G   8  -0.917  -0.066  -9.709
  805   1H2     G   8           H21        G   8  -0.380   0.003 -11.967
  806   2H2     G   8           H22        G   8  -1.536  -0.584 -13.146
  807   1H5*    G   9          1H5*        G   9  -4.399  -2.989 -15.091
  808   2H5*    G   9          2H5*        G   9  -4.142  -4.120 -16.436
  809    H4*    G   9           H4*        G   9  -1.988  -3.508 -15.783
  810    H3*    G   9           H3*        G   9  -2.809  -6.263 -15.399
  811   1H2*    G   9          1H2*        G   9  -2.596  -6.019 -13.055
  812   2H2*    G   9          2H2*        G   9  -0.952  -6.562 -13.467
  813    H1*    G   9           H1*        G   9  -0.242  -4.210 -13.699
  814    H8     G   9           H8         G   9  -2.903  -4.850 -10.852
  815    H1     G   9           H1         G   9   2.450  -1.905  -8.923
  816   1H2     G   9           H21        G   9   3.925  -1.778 -10.702
  817   2H2     G   9           H22        G   9   3.419  -2.262 -12.316
  818   1H5*    A  10          1H5*        A  10   1.593  -4.703 -15.847
  819   2H5*    A  10          2H5*        A  10   2.500  -5.893 -16.803
  820    H4*    A  10           H4*        A  10   3.962  -4.762 -15.204
  821    H3*    A  10           H3*        A  10   3.559  -7.687 -15.183
  822   1H2*    A  10          1H2*        A  10   3.253  -7.745 -12.924
  823   2H2*    A  10          2H2*        A  10   4.999  -7.456 -12.773
  824    H1*    A  10           H1*        A  10   4.681  -5.068 -12.631
  825    H8     A  10           H8         A  10   1.272  -6.685 -11.671
  826   1H6     A  10           H61        A  10   2.290  -4.653  -5.973
  827   2H6     A  10           H62        A  10   1.230  -5.499  -7.088
  828    H2     A  10           H2         A  10   5.921  -3.647  -8.455
  829   1H5*    G  11          1H5*        G  11   7.293  -5.511 -13.926
  830   2H5*    G  11          2H5*        G  11   8.806  -6.291 -14.432
  831    H4*    G  11           H4*        G  11   8.961  -5.319 -12.165
  832    H3*    G  11           H3*        G  11   9.720  -7.988 -12.836
  833   1H2*    G  11          1H2*        G  11   7.902  -8.920 -11.589
  834   2H2*    G  11          2H2*        G  11   9.135  -8.852 -10.297
  835    H1*    G  11           H1*        G  11   8.393  -6.590  -9.680
  836    H8     G  11           H8         G  11   5.488  -8.909 -10.972
  837    H1     G  11           H1         G  11   4.867  -6.728  -4.958
  838   1H2     G  11           H21        G  11   6.784  -5.539  -4.438
  839   2H2     G  11           H22        G  11   7.952  -5.166  -5.689
  840   1H5*    A  12          1H5*        A  12  12.126  -5.092 -10.038
  841   2H5*    A  12          2H5*        A  12  13.844  -5.531 -10.049
  842    H4*    A  12           H4*        A  12  13.148  -4.383  -7.967
  843    H3*    A  12           H3*        A  12  14.754  -6.633  -7.991
  844   1H2*    A  12          1H2*        A  12  13.001  -8.181  -7.591
  845   2H2*    A  12          2H2*        A  12  13.504  -7.899  -5.917
  846    H1*    A  12           H1*        A  12  11.811  -6.241  -5.564
  847    H8     A  12           H8         A  12  10.825  -8.527  -8.589
  848   1H6     A  12           H61        A  12   5.996 -10.247  -5.251
  849   2H6     A  12           H62        A  12   6.960 -10.483  -6.703
  850    H2     A  12           H2         A  12   8.378  -7.355  -2.771
  851   1H5*    C  13          1H5*        C  13  13.414  -5.402  -3.764
  852   2H5*    C  13          2H5*        C  13  14.668  -5.572  -2.518
  853    H4*    C  13           H4*        C  13  12.455  -6.524  -1.865
  854    H3*    C  13           H3*        C  13  14.918  -8.220  -1.946
  855   1H2*    C  13          1H2*        C  13  13.725 -10.067  -2.514
  856   2H2*    C  13          2H2*        C  13  12.809  -9.920  -0.988
  857    H1*    C  13           H1*        C  13  11.139  -8.566  -1.950
  858   1H4     C  13           H41        C  13   9.659 -12.605  -7.025
  859   2H4     C  13           H42        C  13   8.401 -12.772  -5.820
  860    H5     C  13           H5         C  13  11.744 -11.335  -6.580
  861    H6     C  13           H6         C  13  12.832  -9.871  -4.995
  862   1H5*    C  14          1H5*        C  14  11.841  -8.669   1.457
  863   2H5*    C  14          2H5*        C  14  12.572  -9.147   3.004
  864    H4*    C  14           H4*        C  14  10.563 -10.510   2.390
  865    H3*    C  14           H3*        C  14  13.224 -11.760   2.852
  866   1H2*    C  14          1H2*        C  14  12.886 -13.328   1.263
  867   2H2*    C  14          2H2*        C  14  11.492 -13.946   2.186
  868    H1*    C  14           H1*        C  14   9.935 -12.605   1.048
  869   1H4     C  14           H41        C  14  12.258 -14.116  -5.047
  870   2H4     C  14           H42        C  14  10.696 -14.892  -4.872
  871    H5     C  14           H5         C  14  13.324 -12.883  -3.203
  872    H6     C  14           H6         C  14  13.010 -12.130  -0.897
  873   1H5*    G  15          1H5*        G  15   9.480 -14.088   4.180
  874   2H5*    G  15          2H5*        G  15   9.780 -15.040   5.649
  875    H4*    G  15           H4*        G  15   8.691 -16.396   3.919
  876    H3*    G  15           H3*        G  15  11.357 -17.161   4.965
  877   1H2*    G  15          1H2*        G  15  12.152 -17.601   2.855
  878   2H2*    G  15          2H2*        G  15  11.104 -19.049   2.899
  879    H1*    G  15           H1*        G  15   9.269 -17.836   1.889
  880    H8     G  15           H8         G  15  12.732 -16.283   0.909
  881    H1     G  15           H1         G  15   9.251 -18.501  -4.016
  882   1H2     G  15           H21        G  15   7.312 -19.452  -3.169
  883   2H2     G  15           H22        G  15   7.010 -19.443  -1.444
  884    H3T    G  15           H3T        G  15  10.227 -19.105   5.178
  885   1H5*    C  16          1H5*        C  16   6.603 -24.757  -9.088
  886   2H5*    C  16          2H5*        C  16   5.061 -24.369  -9.885
  887    H4*    C  16           H4*        C  16   5.340 -23.532  -7.465
  888    H3*    C  16           H3*        C  16   4.491 -21.850  -9.783
  889   1H2*    C  16          1H2*        C  16   5.520 -20.016  -8.978
  890   2H2*    C  16          2H2*        C  16   4.496 -20.060  -7.523
  891    H1*    C  16           H1*        C  16   6.005 -21.441  -6.337
  892   1H4     C  16           H41        C  16  11.214 -17.376  -7.486
  893   2H4     C  16           H42        C  16  10.896 -17.371  -5.761
  894    H5     C  16           H5         C  16   9.795 -18.610  -9.072
  895    H6     C  16           H6         C  16   7.912 -20.105  -9.260
  896    H5T    C  16           H5T        C  16   7.329 -22.700  -9.991
  897   1H5*    G  17          1H5*        G  17   2.959 -21.556  -5.615
  898   2H5*    G  17          2H5*        G  17   1.211 -21.366  -5.470
  899    H4*    G  17           H4*        G  17   2.257 -20.034  -3.780
  900    H3*    G  17           H3*        G  17   0.567 -18.732  -5.688
  901   1H2*    G  17          1H2*        G  17   2.485 -17.665  -6.690
  902   2H2*    G  17          2H2*        G  17   2.040 -16.423  -5.487
  903    H1*    G  17           H1*        G  17   3.480 -17.532  -3.796
  904    H8     G  17           H8         G  17   4.731 -17.558  -7.478
  905    H1     G  17           H1         G  17   8.835 -15.143  -3.156
  906   1H2     G  17           H21        G  17   7.890 -15.407  -1.047
  907   2H2     G  17           H22        G  17   6.310 -16.141  -0.889
  908   1H5*    G  18          1H5*        G  18   0.771 -17.775  -1.092
  909   2H5*    G  18          2H5*        G  18  -0.652 -16.878  -0.533
  910    H4*    G  18           H4*        G  18   1.384 -16.494   0.844
  911    H3*    G  18           H3*        G  18  -0.342 -14.468   0.055
  912   1H2*    G  18          1H2*        G  18   0.990 -13.797  -1.799
  913   2H2*    G  18          2H2*        G  18   1.622 -12.680  -0.565
  914    H1*    G  18           H1*        G  18   3.444 -14.151  -0.024
  915    H8     G  18           H8         G  18   2.219 -15.061  -3.621
  916    H1     G  18           H1         G  18   7.870 -12.014  -3.406
  917   1H2     G  18           H21        G  18   8.277 -11.390  -1.208
  918   2H2     G  18           H22        G  18   7.247 -12.012   0.071
  919   1H5*    T  19          1H5*        T  19   3.504 -13.323   2.754
  920   2H5*    T  19          2H5*        T  19   2.804 -12.376   4.079
  921    H4*    T  19           H4*        T  19   5.106 -11.690   3.640
  922    H3*    T  19           H3*        T  19   2.940  -9.910   3.864
  923   1H2*    T  19          1H2*        T  19   2.847  -9.430   1.573
  924   2H2*    T  19          2H2*        T  19   4.000  -8.171   2.036
  925    H1*    T  19           H1*        T  19   5.907  -9.584   1.556
  926    H3     T  19           H3         T  19   6.324  -9.140  -3.008
  927   1H5M    T  19          1H5M        T  19   2.187 -11.965  -3.024
  928   2H5M    T  19          2H5M        T  19   1.294 -10.780  -2.023
  929   3H5M    T  19          3H5M        T  19   1.929 -10.327  -3.618
  930    H6     T  19           H6         T  19   2.838 -10.784  -0.151
  931   1H5*    C  20          1H5*        C  20   6.988  -7.769   3.297
  932   2H5*    C  20          2H5*        C  20   7.119  -6.209   4.137
  933    H4*    C  20           H4*        C  20   7.757  -6.172   1.711
  934    H3*    C  20           H3*        C  20   5.678  -4.340   2.820
  935   1H2*    C  20          1H2*        C  20   4.432  -4.491   0.920
  936   2H2*    C  20          2H2*        C  20   5.756  -3.683   0.044
  937    H1*    C  20           H1*        C  20   6.818  -5.762  -0.481
  938   1H4     C  20           H41        C  20   1.253  -7.903  -3.559
  939   2H4     C  20           H42        C  20   2.465  -7.533  -4.773
  940    H5     C  20           H5         C  20   1.679  -7.495  -1.138
  941    H6     C  20           H6         C  20   3.328  -6.731   0.449
  942   1H5*    T  21          1H5*        T  21   9.389  -3.256   0.042
  943   2H5*    T  21          2H5*        T  21   9.883  -1.575   0.325
  944    H4*    T  21           H4*        T  21  10.241  -2.366  -2.017
  945    H3*    T  21           H3*        T  21   9.049   0.130  -1.287
  946   1H2*    T  21          1H2*        T  21   6.960  -0.397  -2.105
  947   2H2*    T  21          2H2*        T  21   7.639   0.144  -3.653
  948    H1*    T  21           H1*        T  21   8.341  -2.093  -4.245
  949    H3     T  21           H3         T  21   4.431  -3.736  -5.965
  950   1H5M    T  21          1H5M        T  21   2.205  -2.605  -1.921
  951   2H5M    T  21          2H5M        T  21   3.048  -3.979  -1.191
  952   3H5M    T  21          3H5M        T  21   3.524  -2.322  -0.782
  953    H6     T  21           H6         T  21   5.715  -2.173  -1.609
  954   1H5*    C  22          1H5*        C  22  10.332  -0.513  -5.824
  955   2H5*    C  22          2H5*        C  22  10.936   1.014  -6.503
  956    H4*    C  22           H4*        C  22   9.455  -0.188  -8.082
  957    H3*    C  22           H3*        C  22   8.742   2.526  -7.078
  958   1H2*    C  22          1H2*        C  22   6.554   2.076  -7.060
  959   2H2*    C  22          2H2*        C  22   6.572   1.862  -8.817
  960    H1*    C  22           H1*        C  22   7.028  -0.495  -8.654
  961   1H4     C  22           H41        C  22   1.662  -1.090  -4.690
  962   2H4     C  22           H42        C  22   1.201  -1.716  -6.254
  963    H5     C  22           H5         C  22   3.809   0.016  -4.281
  964    H6     C  22           H6         C  22   5.967   0.527  -5.253
  965   1H5*    C  23          1H5*        C  23   7.782   1.366 -11.326
  966   2H5*    C  23          2H5*        C  23   7.840   2.712 -12.485
  967    H4*    C  23           H4*        C  23   5.792   1.438 -12.770
  968    H3*    C  23           H3*        C  23   5.413   4.182 -11.536
  969   1H2*    C  23          1H2*        C  23   3.274   3.698 -11.088
  970   2H2*    C  23          2H2*        C  23   3.001   2.896 -12.667
  971    H1*    C  23           H1*        C  23   3.639   0.832 -11.966
  972   1H4     C  23           H41        C  23   0.240   1.267  -6.200
  973   2H4     C  23           H42        C  23  -0.766   0.450  -7.362
  974    H5     C  23           H5         C  23   2.459   2.218  -6.836
  975    H6     C  23           H6         C  23   4.045   2.443  -8.657
  976   1H5*    C  24          1H5*        C  24   3.235   2.768 -15.289
  977   2H5*    C  24          2H5*        C  24   3.078   4.108 -16.442
  978    H4*    C  24           H4*        C  24   1.039   2.761 -16.418
  979    H3*    C  24           H3*        C  24   1.083   5.621 -15.797
  980   1H2*    C  24          1H2*        C  24  -0.089   5.470 -13.898
  981   2H2*    C  24          2H2*        C  24  -1.523   5.130 -14.887
  982    H1*    C  24           H1*        C  24  -1.309   2.779 -14.626
  983   1H4     C  24           H41        C  24  -0.318   3.820  -8.040
  984   2H4     C  24           H42        C  24  -1.976   3.307  -8.174
  985    H5     C  24           H5         C  24   1.141   4.004  -9.932
  986    H6     C  24           H6         C  24   1.238   4.116 -12.329
  987   1H5*    A  25          1H5*        A  25  -2.595   3.510 -17.115
  988   2H5*    A  25          2H5*        A  25  -3.554   4.327 -18.366
  989    H4*    A  25           H4*        A  25  -4.968   3.334 -16.589
  990    H3*    A  25           H3*        A  25  -5.064   6.139 -17.392
  991   1H2*    A  25          1H2*        A  25  -4.726   6.934 -15.267
  992   2H2*    A  25          2H2*        A  25  -6.436   6.522 -14.999
  993    H1*    A  25           H1*        A  25  -5.864   4.371 -14.081
  994    H8     A  25           H8         A  25  -2.772   6.757 -13.826
  995   1H6     A  25           H61        A  25  -3.021   5.804  -7.746
  996   2H6     A  25           H62        A  25  -2.136   6.502  -9.090
  997    H2     A  25           H2         A  25  -6.563   3.774  -9.588
  998   1H5*    T  26          1H5*        T  26  -8.429   3.887 -15.429
  999   2H5*    T  26          2H5*        T  26 -10.092   4.360 -15.836
 1000    H4*    T  26           H4*        T  26  -9.675   4.022 -13.378
 1001    H3*    T  26           H3*        T  26 -10.613   6.662 -14.474
 1002   1H2*    T  26          1H2*        T  26  -9.760   7.795 -12.726
 1003   2H2*    T  26          2H2*        T  26 -10.617   6.747 -11.564
 1004    H1*    T  26           H1*        T  26  -8.900   5.226 -11.362
 1005    H3     T  26           H3         T  26  -6.145   7.653  -8.682
 1006   1H5M    T  26          1H5M        T  26  -5.011  10.441 -12.295
 1007   2H5M    T  26          2H5M        T  26  -4.171   9.044 -12.998
 1008   3H5M    T  26          3H5M        T  26  -5.689   9.625 -13.715
 1009    H6     T  26           H6         T  26  -7.197   7.850 -13.350
 1010   1H5*    C  27          1H5*        C  27 -12.311   4.512 -10.873
 1011   2H5*    C  27          2H5*        C  27 -14.058   4.722 -10.634
 1012    H4*    C  27           H4*        C  27 -12.772   4.824  -8.512
 1013    H3*    C  27           H3*        C  27 -14.731   6.732  -9.325
 1014   1H2*    C  27          1H2*        C  27 -13.179   8.451  -9.609
 1015   2H2*    C  27          2H2*        C  27 -13.461   8.700  -7.872
 1016    H1*    C  27           H1*        C  27 -11.643   7.201  -7.282
 1017   1H4     C  27           H41        C  27  -7.378  11.267 -10.553
 1018   2H4     C  27           H42        C  27  -6.728  10.966  -8.966
 1019    H5     C  27           H5         C  27  -9.414  10.097 -11.372
 1020    H6     C  27           H6         C  27 -11.265   8.714 -10.699
 1021   1H5*    C  28          1H5*        C  28 -13.176   7.258  -5.008
 1022   2H5*    C  28          2H5*        C  28 -14.465   7.748  -3.887
 1023    H4*    C  28           H4*        C  28 -12.491   9.177  -3.641
 1024    H3*    C  28           H3*        C  28 -14.982  10.454  -4.778
 1025   1H2*    C  28          1H2*        C  28 -13.794  12.163  -5.623
 1026   2H2*    C  28          2H2*        C  28 -12.953  12.441  -4.070
 1027    H1*    C  28           H1*        C  28 -11.223  11.010  -4.526
 1028   1H4     C  28           H41        C  28  -9.948  13.043 -10.748
 1029   2H4     C  28           H42        C  28  -8.656  13.640  -9.732
 1030    H5     C  28           H5         C  28 -11.941  11.892  -9.844
 1031    H6     C  28           H6         C  28 -12.944  11.015  -7.813
 1032   1H5*    A  29          1H5*        A  29 -12.691  12.188  -1.222
 1033   2H5*    A  29          2H5*        A  29 -13.729  13.055  -0.071
 1034    H4*    A  29           H4*        A  29 -11.588  14.230  -0.594
 1035    H3*    A  29           H3*        A  29 -14.203  15.469  -0.661
 1036   1H2*    A  29          1H2*        A  29 -14.047  16.020  -2.897
 1037   2H2*    A  29          2H2*        A  29 -13.083  17.402  -2.317
 1038    H1*    A  29           H1*        A  29 -11.013  16.174  -2.595
 1039    H8     A  29           H8         A  29 -13.906  15.064  -4.993
 1040   1H6     A  29           H61        A  29  -9.898  16.044  -9.582
 1041   2H6     A  29           H62        A  29 -11.529  15.575  -9.122
 1042    H2     A  29           H2         A  29  -7.883  17.144  -5.727
 1043   1H5*    A  30          1H5*        A  30 -10.119  17.667  -0.157
 1044   2H5*    A  30          2H5*        A  30 -10.235  19.113   0.867
 1045    H4*    A  30           H4*        A  30  -8.662  19.395  -1.035
 1046    H3*    A  30           H3*        A  30 -10.885  21.234  -0.489
 1047   1H2*    A  30          1H2*        A  30 -11.699  21.080  -2.651
 1048   2H2*    A  30          2H2*        A  30 -10.339  22.169  -3.061
 1049    H1*    A  30           H1*        A  30  -8.899  20.272  -3.562
 1050    H8     A  30           H8         A  30 -12.615  19.110  -3.998
 1051   1H6     A  30           H61        A  30 -11.303  18.653  -9.981
 1052   2H6     A  30           H62        A  30 -12.534  18.565  -8.725
 1053    H2     A  30           H2         A  30  -7.658  20.261  -7.919
 1054    H3T    A  30           H3T        A  30  -9.230  22.704  -0.965
   
  No H/Q in entry =        1054