*HEADER    LIGHT-HARVESTING PROTEIN                03-FEB-99   1DX7
*TITLE     LIGHT-HARVESTING COMPLEX 1 BETA SUBUNIT FROM RHODOBACTER
*TITLE    2 SPHAEROIDES
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: LIGHT-HARVESTING PROTEIN B-875-BETA CHAIN;
*COMPND   3 CHAIN: A;
*COMPND   4 SYNONYM: LH1B, ANTENNA PIGMENTPROTEIN-BETA CHAIN;
*COMPND   5 ENGINEERED: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: RHODOBACTER SPHAEROIDES;
*SOURCE   3 CELLULAR_LOCATION: MEMBRANE;
*SOURCE   4 EXPRESSION_SYSTEM: RHODOBACTER SPHAEROIDES;
*SOURCE   5 EXPRESSION_SYSTEM_CELLULAR_LOCATION: MEMBRANE
*KEYWDS    BACTERIOCHLOROPHYLL BINDING, MEMBRANE PROTEIN, LIGHT
*KEYWDS   2 HARVESTING, PHOTOSYNTHESIS
*EXPDTA    NMR, 6 STRUCTURES
*AUTHOR    M.J.CONROY,W.WESTERHUIS,P.S.PARKES-LOACH,P.A.LOACH,
*AUTHOR   2 C.N.HUNTER,M.P.WILLIAMSON
*REVDAT   1   18-APR-00 1DX7    0




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assign (resid 30 and name ha )(resid 34 and name hb+ ) 3.80 2.00 0.00
assign (resid 33 and name hn )(resid 29 and name hg ) 4.60 2.80 0.00
assign (resid 33 and name hg++ )(resid 29 and name hb+ ) 4.20 2.40 0.00
assign (resid 33 and name hg++ )(resid 29 and name hg ) 4.60 2.80 0.00
assign (resid 33 and name hg++ )(resid 29 and name ha ) 4.20 2.40 0.00
assign (resid 34 and name hn )(resid 30 and name hb+ ) 4.60 2.80 0.00
assign (resid 36 and name hn )(resid 32 and name ha ) 4.60 2.80 0.00
assign (resid 37 and name hn )(resid 34 and name hb+ ) 4.20 2.40 0.00
assign (resid 37 and name hn )(resid 33 and name hg++ ) 4.20 2.40 0.00
assign (resid 37 and name hb+ )(resid 33 and name hg++ ) 3.40 1.60 0.00
assign (resid 38 and name hn )(resid 34 and name hb+ ) 4.20 2.40 0.00
assign (resid 38 and name he1 )(resid 34 and name hb+ ) 4.20 2.40 0.00
assign (resid 38 and name ha )(resid 41 and name hg++ ) 4.20 2.40 0.00
assign (resid 38 and name hn )(resid 36 and name hg++ ) 4.20 2.40 0.00
assign (resid 38 and name hn )(resid 36 and name ha ) 4.60 2.80 0.00
assign (resid 39 and name hn )(resid 35 and name ha ) 4.60 2.80 0.00
assign (resid 40 and name hn )(resid 36 and name ha ) 4.60 2.80 0.00
assign (resid 40 and name hn )(resid 36 and name hg++ ) 3.80 2.00 0.00
assign (resid 41 and name hg++ )(resid 37 and name hb+ ) 3.80 2.00 0.00
assign (resid 42 and name hd+ )(resid 38 and name ha ) 4.20 2.40 0.00
assign (resid 43 and name hn )(resid 39 and name ha ) 4.20 2.40 0.00
assign (resid 44 and name hn )(resid 40 and name ha ) 4.60 2.80 0.00
assign (resid 44 and name hd+ )(resid 40 and name ha ) 3.80 2.00 0.00
assign (resid 44 and name hd+ )(resid 40 and name hb+ ) 3.40 1.60 0.00
assign (resid 45 and name hd+ )(resid 41 and name hg++ ) 3.80 2.00 0.00
assign (resid 5 and name hn )(resid 5 and name ha ) 3.10 1.30 0.00
assign (resid 6 and name hn )(resid 6 and name ha ) 3.10 1.30 0.00
assign (resid 7 and name hn )(resid 7 and name ha+ ) 3.10 1.30 0.00
assign (resid 8 and name hn )(resid 8 and name ha ) 2.50 0.70 0.00
assign (resid 9 and name hn )(resid 9 and name ha ) 2.80 1.00 0.00
assign (resid 10 and name hn )(resid 10 and name ha+ ) 3.10 1.30 0.00
assign (resid 11 and name hn )(resid 11 and name ha ) 2.50 0.70 0.00
assign (resid 12 and name hn )(resid 12 and name ha ) 2.50 0.70 0.00
assign (resid 13 and name hn )(resid 13 and name ha ) 2.50 0.70 0.00
assign (resid 14 and name hn )(resid 14 and name ha ) 3.10 1.30 0.00
assign (resid 15 and name hn )(resid 15 and name ha ) 3.10 1.30 0.00
assign (resid 16 and name hn )(resid 16 and name ha ) 3.40 1.60 0.00
assign (resid 17 and name hn )(resid 17 and name ha ) 3.10 1.30 0.00
assign (resid 18 and name hn )(resid 18 and name ha ) 3.10 1.30 0.00
assign (resid 20 and name hn )(resid 20 and name ha ) 2.80 1.00 0.00
assign (resid 21 and name hn )(resid 21 and name ha ) 2.50 0.70 0.00
assign (resid 22 and name hn )(resid 22 and name ha ) 3.10 1.30 0.00
assign (resid 23 and name hn )(resid 23 and name ha ) 2.80 1.00 0.00
assign (resid 25 and name hn )(resid 25 and name ha ) 3.10 1.30 0.00
assign (resid 26 and name hn )(resid 26 and name ha+ ) 2.80 1.00 0.00
assign (resid 27 and name hn )(resid 27 and name ha ) 2.80 1.00 0.00
assign (resid 28 and name hn )(resid 28 and name ha ) 2.80 1.00 0.00
assign (resid 29 and name hn )(resid 29 and name ha ) 3.10 1.30 0.00
assign (resid 30 and name hn )(resid 30 and name ha ) 2.50 0.70 0.00
assign (resid 31 and name hn )(resid 31 and name ha ) 3.10 1.30 0.00
assign (resid 33 and name hn )(resid 33 and name ha ) 2.80 1.00 0.00
assign (resid 34 and name hn )(resid 34 and name ha ) 2.80 1.00 0.00
assign (resid 35 and name hn )(resid 35 and name ha ) 3.40 1.60 0.00
assign (resid 36 and name hn )(resid 36 and name ha ) 2.80 1.00 0.00
assign (resid 37 and name hn )(resid 37 and name ha ) 2.50 0.70 0.00
assign (resid 38 and name hn )(resid 38 and name ha ) 2.80 1.00 0.00
assign (resid 39 and name hn )(resid 39 and name ha ) 2.80 1.00 0.00
assign (resid 40 and name hn )(resid 40 and name ha ) 3.10 1.30 0.00
assign (resid 41 and name hn )(resid 41 and name ha ) 2.80 1.00 0.00
assign (resid 42 and name hn )(resid 42 and name ha ) 2.80 1.00 0.00
assign (resid 43 and name hn )(resid 43 and name ha ) 3.10 1.30 0.00
assign (resid 44 and name hn )(resid 44 and name ha ) 3.10 1.30 0.00
assign (resid 45 and name hn )(resid 45 and name ha ) 3.10 1.30 0.00
assign (resid 47 and name hn )(resid 47 and name ha ) 3.10 1.30 0.00
assign (resid 5 and name hn )(resid 5 and name hb+ ) 3.40 1.60 0.00
assign (resid 6 and name hn )(resid 6 and name hb+ ) 2.80 1.00 0.00
assign (resid 6 and name hn )(resid 6 and name hg ) 3.80 2.00 0.00
assign (resid 6 and name hn )(resid 6 and name hd++ ) 4.20 2.40 0.00
assign (resid 8 and name hn )(resid 8 and name hb+ ) 2.80 1.00 0.00
assign (resid 9 and name hn )(resid 9 and name hb ) 3.40 1.60 0.00
assign (resid 11 and name hn )(resid 11 and name hb+ ) 2.80 1.00 0.00
assign (resid 11 and name hn )(resid 11 and name hd++ ) 3.40 1.60 0.00
assign (resid 11 and name hn )(resid 11 and name hg ) 3.40 1.60 0.00
assign (resid 12 and name hn )(resid 12 and name hb ) 3.10 1.30 0.00
assign (resid 12 and name hn )(resid 12 and name hg+ ) 3.10 1.30 0.00
assign (resid 13 and name hn )(resid 13 and name hb+ ) 2.50 0.70 0.00
assign (resid 14 and name hn )(resid 14 and name hb+ ) 2.80 1.00 0.00
assign (resid 14 and name hn )(resid 14 and name hg+ ) 4.20 2.40 0.00
assign (resid 15 and name hn )(resid 15 and name hb+ ) 2.50 0.70 0.00
assign (resid 15 and name hn )(resid 15 and name hg+ ) 3.80 2.00 0.00
assign (resid 16 and name hn )(resid 16 and name hb+ ) 2.30 0.50 0.00
assign (resid 17 and name hn )(resid 17 and name hb+ ) 2.50 0.70 0.00
assign (resid 17 and name hn )(resid 17 and name hg+ ) 3.40 1.60 0.00
assign (resid 18 and name hn )(resid 18 and name hb+ ) 2.50 0.70 0.00
assign (resid 18 and name hn )(resid 18 and name hg+ ) 4.20 2.40 0.00
assign (resid 19 and name hn )(resid 19 and name hb+ ) 2.80 1.00 0.00
assign (resid 19 and name hn )(resid 19 and name hg ) 3.80 2.00 0.00
assign (resid 19 and name hn )(resid 19 and name hd++ ) 3.10 1.30 0.00
assign (resid 20 and name hn )(resid 20 and name hb1 ) 3.10 1.30 0.00
assign (resid 20 and name hn )(resid 20 and name hb2 ) 3.10 1.30 0.00
assign (resid 21 and name hn )(resid 21 and name hb+ ) 3.80 2.00 0.00
assign (resid 22 and name hn )(resid 22 and name hb ) 3.10 1.30 0.00
assign (resid 22 and name hn )(resid 22 and name hg++ ) 2.80 1.00 0.00
assign (resid 23 and name hn )(resid 23 and name hb+ ) 2.80 1.00 0.00
assign (resid 24 and name hn )(resid 24 and name hb+ ) 3.80 2.00 0.00
assign (resid 24 and name hn )(resid 24 and name hg+ ) 3.40 1.60 0.00
assign (resid 25 and name hn )(resid 25 and name hb+ ) 2.80 1.00 0.00
assign (resid 27 and name hn )(resid 27 and name hb+ ) 2.50 0.70 0.00
assign (resid 27 and name hn )(resid 27 and name hd++ ) 3.80 2.00 0.00
assign (resid 28 and name hn )(resid 28 and name hb+ ) 2.80 1.00 0.00
assign (resid 29 and name hn )(resid 29 and name hb+ ) 4.60 2.80 0.00
assign (resid 29 and name hn )(resid 29 and name hg ) 3.80 2.00 0.00
assign (resid 29 and name hn )(resid 29 and name hd++ ) 3.40 1.60 0.00
assign (resid 30 and name hn )(resid 30 and name hb+ ) 2.80 1.00 0.00
assign (resid 31 and name hn )(resid 31 and name hb+ ) 3.80 2.00 0.00
assign (resid 33 and name hn )(resid 33 and name hb ) 2.50 0.70 0.00
assign (resid 33 and name hn )(resid 33 and name hg++ ) 2.30 0.50 0.00
assign (resid 34 and name hn )(resid 34 and name hb+ ) 2.30 0.50 0.00
assign (resid 35 and name hn )(resid 35 and name hb ) 3.10 1.30 0.00
assign (resid 35 and name hn )(resid 35 and name hg2+ ) 3.10 1.30 0.00
assign (resid 35 and name hn )(resid 35 and name hg1+ ) 3.10 1.30 0.00
assign (resid 35 and name hn )(resid 35 and name hg++ ) 2.50 0.70 0.00
assign (resid 35 and name hn )(resid 35 and name hd1+ ) 3.80 2.00 0.00
assign (resid 36 and name hn )(resid 36 and name hb ) 3.10 1.30 0.00
assign (resid 37 and name hn )(resid 37 and name hb+ ) 2.30 0.50 0.00
assign (resid 38 and name hn )(resid 38 and name hb+ ) 2.80 1.00 0.00
assign (resid 39 and name hn )(resid 39 and name hb+ ) 3.40 1.60 0.00
assign (resid 39 and name hn )(resid 39 and name hg ) 2.80 1.00 0.00
assign (resid 39 and name hn )(resid 39 and name hd++ ) 3.40 1.60 0.00
assign (resid 40 and name hn )(resid 40 and name hb+ ) 2.30 0.50 0.00
assign (resid 41 and name hn )(resid 41 and name hb ) 2.80 1.00 0.00
assign (resid 41 and name hn )(resid 41 and name hg++ ) 2.50 0.70 0.00
assign (resid 42 and name hn )(resid 42 and name hb+ ) 2.50 0.70 0.00
assign (resid 43 and name hn )(resid 43 and name hb ) 2.80 1.00 0.00
assign (resid 44 and name hn )(resid 44 and name hb+ ) 2.50 0.70 0.00
assign (resid 45 and name hn )(resid 45 and name hg+ ) 3.80 2.00 0.00
assign (resid 45 and name hn )(resid 45 and name hb+ ) 3.10 1.30 0.00
assign (resid 45 and name he )(resid 45 and name hd+ ) 3.10 1.30 0.00
assign (resid 45 and name ha )(resid 45 and name hd+ ) 4.20 2.40 0.00
assign (resid 45 and name hb+ )(resid 45 and name hd+ ) 3.40 1.60 0.00
assign (resid 45 and name hn )(resid 45 and name hd+ ) 3.80 2.00 0.00
assign (resid 45 and name he )(resid 45 and name hb+ ) 4.60 2.80 0.00
assign (resid 45 and name he )(resid 45 and name hg+ ) 4.20 2.40 0.00
assign (resid 47 and name hn )(resid 47 and name hb+ ) 3.80 2.00 0.00
assign (resid 6 and name ha )(resid 6 and name hd++ ) 2.30 0.50 0.00
assign (resid 6 and name ha )(resid 6 and name hg ) 2.50 0.70 0.00
assign (resid 27 and name ha )(resid 27 and name hd++ ) 3.40 1.60 0.00
assign (resid 27 and name hb+ )(resid 27 and name hd++ ) 3.10 1.30 0.00
assign (resid 35 and name ha )(resid 35 and name hg++ ) 2.50 0.70 0.00
assign (resid 8 and name hb+ )(resid 8 and name hd+ ) 2.30 0.50 0.00
assign (resid 8 and name ha )(resid 8 and name hd+ ) 2.80 1.00 0.00
assign (resid 8 and name hn )(resid 8 and name hd+ ) 3.80 2.00 0.00
assign (resid 20 and name hb+ )(resid 20 and name hd2 ) 3.80 2.00 0.00
assign (resid 20 and name ha )(resid 20 and name hd2 ) 3.40 1.60 0.00
assign (resid 20 and name hn )(resid 20 and name hd2 ) 3.80 2.00 0.00
assign (resid 23 and name hb+ )(resid 23 and name hd+ ) 2.30 0.50 0.00
assign (resid 23 and name hd+ )(resid 23 and name ha ) 3.40 1.60 0.00
assign (resid 23 and name he+ )(resid 23 and name hb+ ) 4.20 2.40 0.00
assign (resid 28 and name hd+ )(resid 28 and name hb+ ) 2.80 1.00 0.00
assign (resid 28 and name hd+ )(resid 28 and name hn ) 4.20 2.40 0.00
assign (resid 28 and name hd+ )(resid 28 and name ha ) 3.40 1.60 0.00
assign (resid 30 and name hd+ )(resid 30 and name hb+ ) 4.20 2.40 0.00
assign (resid 30 and name hd+ )(resid 30 and name ha ) 3.80 2.00 0.00
assign (resid 38 and name hd2 )(resid 38 and name hb+ ) 3.40 1.60 0.00
assign (resid 38 and name hd2 )(resid 38 and name ha ) 3.40 1.60 0.00
assign (resid 38 and name hd2 )(resid 38 and name hn ) 3.80 2.00 0.00
assign (resid 42 and name hd+ )(resid 42 and name hb1 ) 3.40 1.60 0.00
assign (resid 42 and name hd+ )(resid 42 and name hb2 ) 3.40 1.60 0.00
assign (resid 42 and name hd+ )(resid 42 and name hn ) 4.20 2.40 0.00
assign (resid 42 and name hd+ )(resid 42 and name ha ) 3.10 1.30 0.00
assign (resid 42 and name he+ )(resid 42 and name hb+ ) 4.60 2.80 0.00
assign (resid 44 and name hd+ )(resid 44 and name hb+ ) 3.10 1.30 0.00
assign (resid 44 and name hd+ )(resid 44 and name hn ) 3.80 2.00 0.00
assign (resid 44 and name hd+ )(resid 44 and name ha ) 3.40 1.60 0.00
assign (resid 47 and name hd+ )(resid 47 and name hn ) 3.80 2.00 0.00
assign (resid   8 and name HN )(resid   4 and name O)   2.5 0.5 0.2
 assign (resid   8 and name  N )(resid   4 and name O)   3.5 0.8 0.2

assign (resid  12 and name HN )(resid   8 and name O)   2.5 0.5 0.2
 assign (resid  12 and name  N )(resid   8 and name O)   3.5 0.8 0.2

assign (resid  13 and name HN )(resid   9 and name O)   2.5 0.5 0.2
 assign (resid  13 and name  N )(resid   9 and name O)   3.5 0.8 0.2

assign (resid  14 and name HN )(resid  10 and name O)   2.5 0.5 0.2
 assign (resid  14 and name  N )(resid  10 and name O)   3.5 0.8 0.2

assign (resid  15 and name HN )(resid  11 and name O)   2.5 0.5 0.2
 assign (resid  15 and name  N )(resid  11 and name O)   3.5 0.8 0.2

assign (resid  17 and name HN )(resid  13 and name O)   2.5 0.5 0.2
 assign (resid  17 and name  N )(resid  13 and name O)   3.5 0.8 0.2

assign (resid  18 and name HN )(resid  14 and name O)   2.5 0.5 0.2
 assign (resid  18 and name  N )(resid  14 and name O)   3.5 0.8 0.2

assign (resid  20 and name HN )(resid  16 and name O)   2.5 0.5 0.2
 assign (resid  20 and name  N )(resid  16 and name O)   3.5 0.8 0.2

assign (resid  21 and name HN )(resid  17 and name O)   2.5 0.5 0.2
 assign (resid  21 and name  N )(resid  17 and name O)   3.5 0.8 0.2

assign (resid  26 and name HN )(resid  22 and name O)   2.5 0.5 0.2
 assign (resid  26 and name  N )(resid  22 and name O)   3.5 0.8 0.2

assign (resid  27 and name HN )(resid  23 and name O)   2.5 0.5 0.2
 assign (resid  27 and name  N )(resid  23 and name O)   3.5 0.8 0.2

assign (resid  28 and name HN )(resid  24 and name O)   2.5 0.5 0.2
 assign (resid  28 and name  N )(resid  24 and name O)   3.5 0.8 0.2

assign (resid  29 and name HN )(resid  25 and name O)   2.5 0.5 0.2
 assign (resid  29 and name  N )(resid  25 and name O)   3.5 0.8 0.2

assign (resid  30 and name HN )(resid  26 and name O)   2.5 0.5 0.2
 assign (resid  30 and name  N )(resid  26 and name O)   3.5 0.8 0.2

assign (resid  31 and name HN )(resid  27 and name O)   2.5 0.5 0.2
 assign (resid  31 and name  N )(resid  27 and name O)   3.5 0.8 0.2

assign (resid  33 and name HN )(resid  29 and name O)   2.5 0.5 0.2
 assign (resid  33 and name  N )(resid  29 and name O)   3.5 0.8 0.2

assign (resid  36 and name HN )(resid  32 and name O)   2.5 0.5 0.2
 assign (resid  36 and name  N )(resid  32 and name O)   3.5 0.8 0.2

assign (resid  37 and name HN )(resid  33 and name O)   2.5 0.5 0.2
 assign (resid  37 and name  N )(resid  33 and name O)   3.5 0.8 0.2



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           H1       ALA   1  -1.121 -12.144  30.111
    2    H2   ALA   1           H2       ALA   1  -0.793 -11.809  31.741
    3    H3   ALA   1           H3       ALA   1  -1.559 -13.263  31.311
    4    HA   ALA   1           HA       ALA   1  -3.577 -12.310  31.014
    5   1HB   ALA   1          1HB       ALA   1  -2.339 -11.620  33.313
    6   2HB   ALA   1          2HB       ALA   1  -3.992 -11.132  32.938
    7   3HB   ALA   1          3HB       ALA   1  -2.659 -10.012  32.663
    8    H    ASP   2           H        ASP   2  -4.479 -11.241  29.327
    9    HA   ASP   2           HA       ASP   2  -3.866  -8.437  28.819
   10   1HB   ASP   2          1HB       ASP   2  -3.110  -8.819  26.464
   11   2HB   ASP   2          2HB       ASP   2  -1.962  -9.422  27.659
   12    H    LYS   3           H        LYS   3  -5.046  -7.855  26.583
   13    HA   LYS   3           HA       LYS   3  -7.793  -8.867  26.887
   14   1HB   LYS   3          1HB       LYS   3  -6.471  -6.600  25.481
   15   2HB   LYS   3          2HB       LYS   3  -7.955  -7.222  24.757
   16   1HG   LYS   3          1HG       LYS   3  -8.662  -5.529  26.276
   17   2HG   LYS   3          2HG       LYS   3  -8.987  -7.056  27.097
   18   1HD   LYS   3          1HD       LYS   3  -7.332  -6.730  28.654
   19   2HD   LYS   3          2HD       LYS   3  -6.293  -5.866  27.520
   20   1HE   LYS   3          1HE       LYS   3  -7.841  -3.911  27.653
   21   2HE   LYS   3          2HE       LYS   3  -7.105  -4.303  29.207
   22   1HZ   LYS   3          1HZ       LYS   3  -9.760  -5.319  28.368
   23   2HZ   LYS   3          2HZ       LYS   3  -9.068  -5.376  29.918
   24   3HZ   LYS   3          3HZ       LYS   3  -9.556  -3.889  29.256
   25    H    SER   4           H        SER   4  -6.737  -8.146  23.642
   26    HA   SER   4           HA       SER   4  -6.892  -9.666  21.773
   27   1HB   SER   4          1HB       SER   4  -5.524 -11.494  22.008
   28   2HB   SER   4          2HB       SER   4  -5.031 -10.641  23.463
   29    HG   SER   4           HG       SER   4  -5.660 -12.862  23.802
   30    H    ASP   5           H        ASP   5  -9.027  -9.158  23.848
   31    HA   ASP   5           HA       ASP   5 -10.831 -10.421  24.755
   32   1HB   ASP   5          1HB       ASP   5 -11.351  -8.945  22.619
   33   2HB   ASP   5          2HB       ASP   5 -11.863 -10.523  22.023
   34    H    LEU   6           H        LEU   6  -8.912 -12.235  24.557
   35    HA   LEU   6           HA       LEU   6  -8.414 -14.440  23.627
   36   1HB   LEU   6          1HB       LEU   6 -10.094 -14.231  25.881
   37   2HB   LEU   6          2HB       LEU   6 -10.570 -15.656  24.956
   38    HG   LEU   6           HG       LEU   6  -8.009 -15.975  24.680
   39   1HD1  LEU   6          1HD1      LEU   6  -7.525 -13.785  25.767
   40   2HD1  LEU   6          2HD1      LEU   6  -8.116 -14.447  27.294
   41   3HD1  LEU   6          3HD1      LEU   6  -6.682 -15.136  26.530
   42   1HD2  LEU   6          1HD2      LEU   6  -9.751 -17.364  26.042
   43   2HD2  LEU   6          2HD2      LEU   6  -8.044 -17.568  26.437
   44   3HD2  LEU   6          3HD2      LEU   6  -9.070 -16.555  27.453
   45    H    GLY   7           H        GLY   7  -9.459 -13.328  21.807
   46   1HA   GLY   7          1HA       GLY   7 -10.535 -15.182  19.999
   47   2HA   GLY   7          2HA       GLY   7 -11.938 -14.335  20.679
   48    H    TYR   8           H        TYR   8 -10.926 -11.841  21.128
   49    HA   TYR   8           HA       TYR   8 -10.929 -10.617  18.585
   50   1HB   TYR   8          1HB       TYR   8 -11.581  -9.211  20.349
   51   2HB   TYR   8          2HB       TYR   8 -10.276  -9.799  21.375
   52    HD1  TYR   8           HD1      TYR   8 -10.883  -7.737  18.279
   53    HD2  TYR   8           HD2      TYR   8  -8.347  -8.736  21.584
   54    HE1  TYR   8           HE1      TYR   8  -9.426  -5.800  17.731
   55    HE2  TYR   8           HE2      TYR   8  -6.868  -6.795  21.044
   56    HH   TYR   8           HH       TYR   8  -6.422  -5.439  18.679
   57    H    THR   9           H        THR   9  -8.636 -12.058  20.682
   58    HA   THR   9           HA       THR   9  -6.143 -11.067  19.912
   59    HB   THR   9           HB       THR   9  -6.699 -14.049  19.915
   60    HG1  THR   9           HG1      THR   9  -7.700 -13.261  21.654
   61   1HG2  THR   9          1HG2      THR   9  -4.349 -12.334  20.002
   62   2HG2  THR   9          2HG2      THR   9  -4.411 -13.425  21.386
   63   3HG2  THR   9          3HG2      THR   9  -4.450 -14.076  19.747
   64    H    GLY  10           H        GLY  10  -7.941 -13.615  18.164
   65   1HA   GLY  10          1HA       GLY  10  -6.159 -13.604  15.883
   66   2HA   GLY  10          2HA       GLY  10  -7.743 -14.375  15.939
   67    H    LEU  11           H        LEU  11  -9.657 -12.848  15.676
   68    HA   LEU  11           HA       LEU  11  -9.691 -11.475  13.330
   69   1HB   LEU  11          1HB       LEU  11 -11.535 -11.820  15.280
   70   2HB   LEU  11          2HB       LEU  11 -11.768 -10.733  13.916
   71    HG   LEU  11           HG       LEU  11 -10.308  -9.572  16.213
   72   1HD1  LEU  11          1HD1      LEU  11 -11.390  -8.594  13.948
   73   2HD1  LEU  11          2HD1      LEU  11 -12.770  -8.396  15.029
   74   3HD1  LEU  11          3HD1      LEU  11 -11.230  -7.633  15.419
   75   1HD2  LEU  11          1HD2      LEU  11 -12.207 -11.075  17.153
   76   2HD2  LEU  11          2HD2      LEU  11 -12.180  -9.385  17.662
   77   3HD2  LEU  11          3HD2      LEU  11 -13.305  -9.912  16.411
   78    H    THR  12           H        THR  12  -8.273 -10.315  16.284
   79    HA   THR  12           HA       THR  12  -7.973  -7.623  15.729
   80    HB   THR  12           HB       THR  12  -6.050  -9.553  17.007
   81    HG1  THR  12           HG1      THR  12  -8.185  -8.311  17.748
   82   1HG2  THR  12          1HG2      THR  12  -4.807  -7.657  15.960
   83   2HG2  THR  12          2HG2      THR  12  -5.809  -6.535  16.880
   84   3HG2  THR  12          3HG2      THR  12  -4.719  -7.636  17.721
   85    H    ASP  13           H        ASP  13  -5.531  -9.978  15.194
   86    HA   ASP  13           HA       ASP  13  -3.812  -8.792  13.510
   87   1HB   ASP  13          1HB       ASP  13  -4.635 -11.512  13.880
   88   2HB   ASP  13          2HB       ASP  13  -4.374 -11.227  12.157
   89    H    GLU  14           H        GLU  14  -7.087  -9.640  12.630
   90    HA   GLU  14           HA       GLU  14  -6.564  -8.763   9.887
   91   1HB   GLU  14          1HB       GLU  14  -8.441 -10.421  10.886
   92   2HB   GLU  14          2HB       GLU  14  -9.345  -8.906  10.875
   93   1HG   GLU  14          1HG       GLU  14  -9.693  -9.175   8.670
   94   2HG   GLU  14          2HG       GLU  14  -7.955  -8.998   8.422
   95    H    GLN  15           H        GLN  15  -8.484  -7.533  12.664
   96    HA   GLN  15           HA       GLN  15  -9.132  -5.026  11.442
   97   1HB   GLN  15          1HB       GLN  15  -9.873  -4.342  13.570
   98   2HB   GLN  15          2HB       GLN  15  -8.752  -5.432  14.380
   99   1HG   GLN  15          1HG       GLN  15 -11.211  -6.153  14.339
  100   2HG   GLN  15          2HG       GLN  15 -10.021  -7.345  13.818
  101   2HE2  GLN  15          2HE2      GLN  15 -11.994  -4.687  12.348
  102   1HE2  GLN  15          1HE2      GLN  15 -12.352  -5.544  10.927
  103    H    ALA  16           H        ALA  16  -6.734  -6.023  13.739
  104    HA   ALA  16           HA       ALA  16  -5.276  -3.681  14.069
  105   1HB   ALA  16          1HB       ALA  16  -4.090  -5.209  15.255
  106   2HB   ALA  16          2HB       ALA  16  -3.382  -5.752  13.732
  107   3HB   ALA  16          3HB       ALA  16  -4.841  -6.532  14.354
  108    H    GLN  17           H        GLN  17  -5.663  -5.792  11.309
  109    HA   GLN  17           HA       GLN  17  -3.476  -4.470   9.826
  110   1HB   GLN  17          1HB       GLN  17  -4.793  -6.942   9.658
  111   2HB   GLN  17          2HB       GLN  17  -3.510  -6.344   8.620
  112   1HG   GLN  17          1HG       GLN  17  -6.495  -6.173   8.169
  113   2HG   GLN  17          2HG       GLN  17  -5.350  -5.197   7.253
  114   2HE2  GLN  17          2HE2      GLN  17  -5.825  -6.354   5.244
  115   1HE2  GLN  17          1HE2      GLN  17  -5.290  -7.946   4.999
  116    H    GLU  18           H        GLU  18  -6.959  -4.386  10.080
  117    HA   GLU  18           HA       GLU  18  -7.741  -2.973   7.816
  118   1HB   GLU  18          1HB       GLU  18  -8.755  -3.327  10.491
  119   2HB   GLU  18          2HB       GLU  18  -8.951  -1.638  10.019
  120   1HG   GLU  18          1HG       GLU  18 -10.009  -2.398   7.888
  121   2HG   GLU  18          2HG       GLU  18 -10.918  -2.898   9.315
  122    H    LEU  19           H        LEU  19  -5.660  -2.021  10.406
  123    HA   LEU  19           HA       LEU  19  -5.496   0.729   9.291
  124   1HB   LEU  19          1HB       LEU  19  -4.755   1.462  11.414
  125   2HB   LEU  19          2HB       LEU  19  -6.093   0.376  11.763
  126    HG   LEU  19           HG       LEU  19  -3.956  -1.345  11.710
  127   1HD1  LEU  19          1HD1      LEU  19  -2.902   1.309  11.993
  128   2HD1  LEU  19          2HD1      LEU  19  -2.680   0.450  13.519
  129   3HD1  LEU  19          3HD1      LEU  19  -2.030  -0.224  12.025
  130   1HD2  LEU  19          1HD2      LEU  19  -5.262   0.190  13.966
  131   2HD2  LEU  19          2HD2      LEU  19  -5.601  -1.458  13.434
  132   3HD2  LEU  19          3HD2      LEU  19  -4.088  -1.092  14.265
  133    H    HIS  20           H        HIS  20  -3.740  -2.197  10.063
  134    HA   HIS  20           HA       HIS  20  -1.150  -0.977   9.474
  135   1HB   HIS  20          1HB       HIS  20  -2.091  -3.357  10.772
  136   2HB   HIS  20          2HB       HIS  20  -0.908  -3.764   9.538
  137    HD1  HIS  20           HD1      HIS  20   1.520  -2.992   9.901
  138    HD2  HIS  20           HD2      HIS  20  -1.106  -1.630  12.835
  139    HE1  HIS  20           HE1      HIS  20   2.957  -2.013  11.746
  140    H    SER  21           H        SER  21  -2.389  -4.085   8.236
  141    HA   SER  21           HA       SER  21  -0.997  -4.362   5.958
  142   1HB   SER  21          1HB       SER  21  -3.982  -4.698   6.125
  143   2HB   SER  21          2HB       SER  21  -2.992  -5.315   4.816
  144    HG   SER  21           HG       SER  21  -2.158  -5.950   7.388
  145    H    VAL  22           H        VAL  22  -4.134  -2.939   5.767
  146    HA   VAL  22           HA       VAL  22  -4.147  -1.779   3.347
  147    HB   VAL  22           HB       VAL  22  -6.085  -1.384   4.560
  148   1HG1  VAL  22          1HG1      VAL  22  -4.207  -1.346   6.775
  149   2HG1  VAL  22          2HG1      VAL  22  -5.406  -0.061   6.952
  150   3HG1  VAL  22          3HG1      VAL  22  -5.928  -1.740   6.782
  151   1HG2  VAL  22          1HG2      VAL  22  -4.539   1.197   4.948
  152   2HG2  VAL  22          2HG2      VAL  22  -5.506   0.769   3.538
  153   3HG2  VAL  22          3HG2      VAL  22  -6.289   1.040   5.095
  154    H    TYR  23           H        TYR  23  -2.755  -0.319   6.262
  155    HA   TYR  23           HA       TYR  23  -1.717   2.077   5.267
  156   1HB   TYR  23          1HB       TYR  23  -1.500   0.647   7.621
  157   2HB   TYR  23          2HB       TYR  23   0.152   0.644   7.021
  158    HD1  TYR  23           HD1      TYR  23   0.594   3.118   5.741
  159    HD2  TYR  23           HD2      TYR  23  -1.822   2.326   9.199
  160    HE1  TYR  23           HE1      TYR  23   0.874   5.474   6.482
  161    HE2  TYR  23           HE2      TYR  23  -1.544   4.666   9.946
  162    HH   TYR  23           HH       TYR  23   0.714   6.618   9.062
  163    H    MET  24           H        MET  24   0.306  -0.830   5.753
  164    HA   MET  24           HA       MET  24   2.408   0.088   4.076
  165   1HB   MET  24          1HB       MET  24   1.840  -2.221   5.643
  166   2HB   MET  24          2HB       MET  24   2.318  -2.779   4.038
  167   1HG   MET  24          1HG       MET  24   4.353  -1.422   4.140
  168   2HG   MET  24          2HG       MET  24   3.865  -0.775   5.706
  169   1HE   MET  24          1HE       MET  24   6.234  -2.222   4.357
  170   2HE   MET  24          2HE       MET  24   6.890  -3.482   5.399
  171   3HE   MET  24          3HE       MET  24   5.855  -3.922   4.043
  172    H    SER  25           H        SER  25  -0.681  -0.970   3.166
  173    HA   SER  25           HA       SER  25   0.113  -2.180   0.620
  174   1HB   SER  25          1HB       SER  25  -2.128  -2.413   2.131
  175   2HB   SER  25          2HB       SER  25  -2.662  -1.187   0.984
  176    HG   SER  25           HG       SER  25  -3.062  -3.213   0.120
  177    H    GLY  26           H        GLY  26  -2.053   0.602   1.234
  178   1HA   GLY  26          1HA       GLY  26  -1.689   1.799  -1.304
  179   2HA   GLY  26          2HA       GLY  26  -2.187   2.676   0.144
  180    H    LEU  27           H        LEU  27   0.253   1.815   1.555
  181    HA   LEU  27           HA       LEU  27   1.896   4.063   1.169
  182   1HB   LEU  27          1HB       LEU  27   1.953   1.555   2.629
  183   2HB   LEU  27          2HB       LEU  27   3.570   2.025   2.098
  184    HG   LEU  27           HG       LEU  27   3.423   4.138   3.213
  185   1HD1  LEU  27          1HD1      LEU  27   0.487   3.454   3.457
  186   2HD1  LEU  27          2HD1      LEU  27   1.240   4.700   4.452
  187   3HD1  LEU  27          3HD1      LEU  27   1.216   4.868   2.697
  188   1HD2  LEU  27          1HD2      LEU  27   2.180   1.961   4.927
  189   2HD2  LEU  27          2HD2      LEU  27   3.902   2.290   4.733
  190   3HD2  LEU  27          3HD2      LEU  27   2.870   3.455   5.561
  191    H    TRP  28           H        TRP  28   2.692   0.711   0.166
  192    HA   TRP  28           HA       TRP  28   4.790   1.622  -1.582
  193   1HB   TRP  28          1HB       TRP  28   4.461  -0.684  -0.361
  194   2HB   TRP  28          2HB       TRP  28   3.580  -1.100  -1.833
  195    HD1  TRP  28           HD1      TRP  28   6.625   1.150  -1.556
  196    HE1  TRP  28           HE1      TRP  28   8.545   0.165  -2.983
  197    HE3  TRP  28           HE3      TRP  28   4.456  -3.220  -3.005
  198    HZ2  TRP  28           HZ2      TRP  28   9.071  -2.185  -4.536
  199    HZ3  TRP  28           HZ3      TRP  28   5.677  -4.817  -4.455
  200    HH2  TRP  28           HH2      TRP  28   7.979  -4.306  -5.222
  201    H    LEU  29           H        LEU  29   1.594   1.976  -1.964
  202    HA   LEU  29           HA       LEU  29   1.466   1.140  -4.780
  203   1HB   LEU  29          1HB       LEU  29  -0.614   0.746  -3.884
  204   2HB   LEU  29          2HB       LEU  29  -0.433   1.994  -2.659
  205    HG   LEU  29           HG       LEU  29  -0.656   3.647  -4.672
  206   1HD1  LEU  29          1HD1      LEU  29  -0.531   1.616  -6.275
  207   2HD1  LEU  29          2HD1      LEU  29  -2.207   1.325  -5.807
  208   3HD1  LEU  29          3HD1      LEU  29  -1.762   2.839  -6.596
  209   1HD2  LEU  29          1HD2      LEU  29  -2.306   2.854  -2.739
  210   2HD2  LEU  29          2HD2      LEU  29  -2.853   3.923  -4.033
  211   3HD2  LEU  29          3HD2      LEU  29  -3.200   2.195  -4.112
  212    H    PHE  30           H        PHE  30   0.863   4.193  -2.989
  213    HA   PHE  30           HA       PHE  30   1.217   5.754  -5.340
  214   1HB   PHE  30          1HB       PHE  30   0.548   6.217  -2.542
  215   2HB   PHE  30          2HB       PHE  30   1.565   7.491  -3.218
  216    HD1  PHE  30           HD1      PHE  30  -0.776   5.435  -5.213
  217    HD2  PHE  30           HD2      PHE  30  -0.118   9.224  -3.300
  218    HE1  PHE  30           HE1      PHE  30  -2.738   6.376  -6.403
  219    HE2  PHE  30           HE2      PHE  30  -2.080  10.165  -4.490
  220    HZ   PHE  30           HZ       PHE  30  -3.390   8.741  -6.042
  221    H    SER  31           H        SER  31   3.381   4.145  -3.462
  222    HA   SER  31           HA       SER  31   5.549   6.147  -3.787
  223   1HB   SER  31          1HB       SER  31   5.855   5.233  -1.681
  224   2HB   SER  31          2HB       SER  31   5.168   3.678  -2.141
  225    HG   SER  31           HG       SER  31   7.690   4.718  -2.944
  226    H    ALA  32           H        ALA  32   4.167   3.516  -5.383
  227    HA   ALA  32           HA       ALA  32   6.684   2.980  -6.919
  228   1HB   ALA  32          1HB       ALA  32   4.126   1.354  -6.630
  229   2HB   ALA  32          2HB       ALA  32   5.704   0.948  -5.951
  230   3HB   ALA  32          3HB       ALA  32   5.464   0.927  -7.699
  231    H    VAL  33           H        VAL  33   3.140   3.312  -7.354
  232    HA   VAL  33           HA       VAL  33   3.105   3.752 -10.129
  233    HB   VAL  33           HB       VAL  33   1.528   5.218  -8.048
  234   1HG1  VAL  33          1HG1      VAL  33   1.671   5.824 -10.649
  235   2HG1  VAL  33          2HG1      VAL  33   0.455   4.544 -10.743
  236   3HG1  VAL  33          3HG1      VAL  33   0.161   5.968  -9.743
  237   1HG2  VAL  33          1HG2      VAL  33   1.524   2.435  -8.826
  238   2HG2  VAL  33          2HG2      VAL  33   0.580   3.229  -7.564
  239   3HG2  VAL  33          3HG2      VAL  33  -0.028   3.175  -9.219
  240    H    ALA  34           H        ALA  34   3.570   6.075  -7.455
  241    HA   ALA  34           HA       ALA  34   3.800   8.438  -8.958
  242   1HB   ALA  34          1HB       ALA  34   5.059   7.446  -6.435
  243   2HB   ALA  34          2HB       ALA  34   5.757   8.874  -7.210
  244   3HB   ALA  34          3HB       ALA  34   4.065   8.885  -6.700
  245    H    ILE  35           H        ILE  35   6.420   6.301  -7.915
  246    HA   ILE  35           HA       ILE  35   8.567   7.285  -9.293
  247    HB   ILE  35           HB       ILE  35   8.111   4.364  -9.594
  248   1HG1  ILE  35          1HG1      ILE  35   8.194   5.796  -6.950
  249   2HG1  ILE  35          2HG1      ILE  35   7.042   4.586  -7.523
  250   1HG2  ILE  35          1HG2      ILE  35  10.175   6.051  -9.834
  251   2HG2  ILE  35          2HG2      ILE  35  10.353   5.610  -8.137
  252   3HG2  ILE  35          3HG2      ILE  35  10.381   4.355  -9.379
  253   1HD1  ILE  35          1HD1      ILE  35   9.245   3.111  -7.754
  254   2HD1  ILE  35          2HD1      ILE  35   9.833   4.215  -6.510
  255   3HD1  ILE  35          3HD1      ILE  35   8.397   3.236  -6.213
  256    H    VAL  36           H        VAL  36   5.817   5.509 -10.522
  257    HA   VAL  36           HA       VAL  36   6.911   5.202 -13.183
  258    HB   VAL  36           HB       VAL  36   3.982   5.265 -12.437
  259   1HG1  VAL  36          1HG1      VAL  36   5.452   4.754 -14.822
  260   2HG1  VAL  36          2HG1      VAL  36   4.798   3.210 -14.272
  261   3HG1  VAL  36          3HG1      VAL  36   3.716   4.572 -14.562
  262   1HG2  VAL  36          1HG2      VAL  36   5.667   3.787 -10.983
  263   2HG2  VAL  36          2HG2      VAL  36   4.126   3.120 -11.534
  264   3HG2  VAL  36          3HG2      VAL  36   5.609   2.741 -12.406
  265    H    ALA  37           H        ALA  37   4.562   7.441 -11.719
  266    HA   ALA  37           HA       ALA  37   4.027   9.078 -13.850
  267   1HB   ALA  37          1HB       ALA  37   4.678  10.281 -11.174
  268   2HB   ALA  37          2HB       ALA  37   3.274   9.223 -11.346
  269   3HB   ALA  37          3HB       ALA  37   3.383  10.711 -12.291
  270    H    HIS  38           H        HIS  38   6.984   8.796 -11.922
  271    HA   HIS  38           HA       HIS  38   8.195  11.138 -13.171
  272   1HB   HIS  38          1HB       HIS  38   9.360   8.899 -11.496
  273   2HB   HIS  38          2HB       HIS  38  10.287  10.292 -12.056
  274    HD1  HIS  38           HD1      HIS  38  10.281  10.322  -9.172
  275    HD2  HIS  38           HD2      HIS  38   6.953  11.738 -11.245
  276    HE1  HIS  38           HE1      HIS  38   9.017  11.817  -7.564
  277    H    LEU  39           H        LEU  39   8.404   7.624 -13.592
  278    HA   LEU  39           HA       LEU  39  10.249   7.943 -15.849
  279   1HB   LEU  39          1HB       LEU  39  10.458   5.581 -15.830
  280   2HB   LEU  39          2HB       LEU  39   8.916   5.373 -15.001
  281    HG   LEU  39           HG       LEU  39  10.002   6.683 -13.060
  282   1HD1  LEU  39          1HD1      LEU  39  10.494   3.881 -13.935
  283   2HD1  LEU  39          2HD1      LEU  39  11.463   4.468 -12.583
  284   3HD1  LEU  39          3HD1      LEU  39   9.702   4.482 -12.478
  285   1HD2  LEU  39          1HD2      LEU  39  11.942   7.457 -14.456
  286   2HD2  LEU  39          2HD2      LEU  39  12.435   6.635 -12.976
  287   3HD2  LEU  39          3HD2      LEU  39  12.507   5.787 -14.520
  288    H    ALA  40           H        ALA  40   7.209   6.115 -15.467
  289    HA   ALA  40           HA       ALA  40   6.384   5.720 -18.008
  290   1HB   ALA  40          1HB       ALA  40   4.744   5.097 -16.518
  291   2HB   ALA  40          2HB       ALA  40   4.877   6.590 -15.586
  292   3HB   ALA  40          3HB       ALA  40   4.023   6.586 -17.130
  293    H    VAL  41           H        VAL  41   6.474   8.904 -16.438
  294    HA   VAL  41           HA       VAL  41   5.153  10.243 -18.643
  295    HB   VAL  41           HB       VAL  41   6.792  11.250 -16.309
  296   1HG1  VAL  41          1HG1      VAL  41   6.138  12.581 -18.773
  297   2HG1  VAL  41          2HG1      VAL  41   5.216  13.316 -17.462
  298   3HG1  VAL  41          3HG1      VAL  41   6.975  13.231 -17.364
  299   1HG2  VAL  41          1HG2      VAL  41   4.417  10.225 -16.079
  300   2HG2  VAL  41          2HG2      VAL  41   4.704  11.804 -15.345
  301   3HG2  VAL  41          3HG2      VAL  41   3.863  11.690 -16.890
  302    H    TYR  42           H        TYR  42   8.547  10.081 -17.531
  303    HA   TYR  42           HA       TYR  42   9.461  11.303 -20.029
  304   1HB   TYR  42          1HB       TYR  42  11.092  10.099 -17.778
  305   2HB   TYR  42          2HB       TYR  42  11.682  11.174 -19.046
  306    HD1  TYR  42           HD1      TYR  42   9.345  13.076 -19.168
  307    HD2  TYR  42           HD2      TYR  42  11.486  11.421 -15.832
  308    HE1  TYR  42           HE1      TYR  42   8.723  15.044 -17.792
  309    HE2  TYR  42           HE2      TYR  42  10.864  13.389 -14.457
  310    HH   TYR  42           HH       TYR  42   9.710  15.280 -14.373
  311    H    ILE  43           H        ILE  43   8.214   8.443 -19.562
  312    HA   ILE  43           HA       ILE  43  10.346   6.891 -20.952
  313    HB   ILE  43           HB       ILE  43   7.952   6.092 -19.289
  314   1HG1  ILE  43          1HG1      ILE  43  10.914   5.438 -19.169
  315   2HG1  ILE  43          2HG1      ILE  43  10.060   6.564 -18.112
  316   1HG2  ILE  43          1HG2      ILE  43   8.046   4.700 -21.371
  317   2HG2  ILE  43          2HG2      ILE  43   9.694   4.239 -20.942
  318   3HG2  ILE  43          3HG2      ILE  43   8.348   3.773 -19.901
  319   1HD1  ILE  43          1HD1      ILE  43   9.009   3.773 -18.333
  320   2HD1  ILE  43          2HD1      ILE  43  10.467   4.038 -17.377
  321   3HD1  ILE  43          3HD1      ILE  43   8.974   4.878 -16.959
  322    H    TRP  44           H        TRP  44   7.136   8.220 -21.275
  323    HA   TRP  44           HA       TRP  44   6.541   6.644 -23.678
  324   1HB   TRP  44          1HB       TRP  44   5.109   8.650 -22.012
  325   2HB   TRP  44          2HB       TRP  44   4.650   8.563 -23.713
  326    HD1  TRP  44           HD1      TRP  44   5.033   6.254 -20.644
  327    HE1  TRP  44           HE1      TRP  44   3.371   4.300 -20.894
  328    HE3  TRP  44           HE3      TRP  44   3.139   7.290 -25.274
  329    HZ2  TRP  44           HZ2      TRP  44   1.487   3.307 -22.803
  330    HZ3  TRP  44           HZ3      TRP  44   1.414   5.825 -26.282
  331    HH2  TRP  44           HH2      TRP  44   0.586   3.836 -25.054
  332    H    ARG  45           H        ARG  45   8.680   8.985 -23.174
  333    HA   ARG  45           HA       ARG  45   8.031  10.721 -25.435
  334   1HB   ARG  45          1HB       ARG  45   9.844  10.806 -23.195
  335   2HB   ARG  45          2HB       ARG  45  10.709  11.145 -24.695
  336   1HG   ARG  45          1HG       ARG  45   8.349  12.576 -24.987
  337   2HG   ARG  45          2HG       ARG  45   9.908  13.251 -24.512
  338   1HD   ARG  45          1HD       ARG  45   8.589  12.002 -22.248
  339   2HD   ARG  45          2HD       ARG  45   9.163  13.660 -22.422
  340    HE   ARG  45           HE       ARG  45   6.836  13.651 -23.898
  341   1HH1  ARG  45          1HH1      ARG  45   5.261  11.823 -22.629
  342   2HH1  ARG  45          2HH1      ARG  45   4.785  12.508 -21.111
  343   1HH2  ARG  45          1HH2      ARG  45   7.286  14.910 -21.109
  344   2HH2  ARG  45          2HH2      ARG  45   5.932  14.256 -20.250
  345   1HB   PRO  46          1HB       PRO  46  12.813   6.332 -25.860
  346   2HB   PRO  46          2HB       PRO  46  13.349   8.016 -25.729
  347   1HG   PRO  46          1HG       PRO  46  12.731   7.841 -23.514
  348   2HG   PRO  46          2HG       PRO  46  11.722   6.417 -23.819
  349   1HD   PRO  46          1HD       PRO  46   9.890   7.792 -23.759
  350   2HD   PRO  46          2HD       PRO  46  10.916   9.235 -23.668
  351    H    TRP  47           H        TRP  47  11.469   6.693 -28.828
  352    HA   TRP  47           HA       TRP  47   9.908   4.305 -28.073
  353   1HB   TRP  47          1HB       TRP  47   8.870   6.521 -29.762
  354   2HB   TRP  47          2HB       TRP  47   8.586   4.886 -30.360
  355    HD1  TRP  47           HD1      TRP  47   8.066   6.967 -27.148
  356    HE1  TRP  47           HE1      TRP  47   5.987   6.056 -25.927
  357    HE3  TRP  47           HE3      TRP  47   6.944   2.999 -30.160
  358    HZ2  TRP  47           HZ2      TRP  47   4.097   3.925 -26.193
  359    HZ3  TRP  47           HZ3      TRP  47   5.001   1.547 -29.654
  360    HH2  TRP  47           HH2      TRP  47   3.577   2.004 -27.676
  361    H    PHE  48           H        PHE  48  11.298   6.116 -30.828
  362    HA   PHE  48           HA       PHE  48  12.552   5.343 -32.658
  363   1HB   PHE  48          1HB       PHE  48  13.772   4.527 -30.304
  364   2HB   PHE  48          2HB       PHE  48  13.684   3.038 -31.247
  365    HD1  PHE  48           HD1      PHE  48  14.213   3.461 -33.884
  366    HD2  PHE  48           HD2      PHE  48  15.681   5.817 -30.606
  367    HE1  PHE  48           HE1      PHE  48  16.103   4.239 -35.289
  368    HE2  PHE  48           HE2      PHE  48  17.571   6.594 -32.011
  369    HZ   PHE  48           HZ       PHE  48  17.782   5.805 -34.353

  No H/Q in entry =         369
  Start of MODEL    2
    1    H1   ALA   1           H1       ALA   1 -26.327  17.491  16.499
    2    H2   ALA   1           H2       ALA   1 -25.391  18.799  15.951
    3    H3   ALA   1           H3       ALA   1 -26.988  18.606  15.405
    4    HA   ALA   1           HA       ALA   1 -26.166  17.551  13.650
    5   1HB   ALA   1          1HB       ALA   1 -23.620  17.418  15.288
    6   2HB   ALA   1          2HB       ALA   1 -23.984  18.528  13.966
    7   3HB   ALA   1          3HB       ALA   1 -23.744  16.812  13.637
    8    H    ASP   2           H        ASP   2 -27.837  16.033  14.850
    9    HA   ASP   2           HA       ASP   2 -26.502  13.375  15.111
   10   1HB   ASP   2          1HB       ASP   2 -27.977  14.812  17.144
   11   2HB   ASP   2          2HB       ASP   2 -28.806  13.309  16.739
   12    H    LYS   3           H        LYS   3 -28.468  15.145  13.264
   13    HA   LYS   3           HA       LYS   3 -30.346  12.878  12.736
   14   1HB   LYS   3          1HB       LYS   3 -30.769  15.732  12.989
   15   2HB   LYS   3          2HB       LYS   3 -31.268  15.177  11.390
   16   1HG   LYS   3          1HG       LYS   3 -32.664  13.433  12.404
   17   2HG   LYS   3          2HG       LYS   3 -32.133  13.924  14.013
   18   1HD   LYS   3          1HD       LYS   3 -33.438  15.886  12.129
   19   2HD   LYS   3          2HD       LYS   3 -34.399  14.846  13.181
   20   1HE   LYS   3          1HE       LYS   3 -32.353  15.920  14.807
   21   2HE   LYS   3          2HE       LYS   3 -32.972  17.264  13.848
   22   1HZ   LYS   3          1HZ       LYS   3 -35.228  15.995  14.550
   23   2HZ   LYS   3          2HZ       LYS   3 -34.264  15.728  15.924
   24   3HZ   LYS   3          3HZ       LYS   3 -34.571  17.313  15.392
   25    H    SER   4           H        SER   4 -27.742  14.724  11.513
   26    HA   SER   4           HA       SER   4 -28.352  14.094   8.692
   27   1HB   SER   4          1HB       SER   4 -25.788  15.299   9.734
   28   2HB   SER   4          2HB       SER   4 -26.506  15.471   8.134
   29    HG   SER   4           HG       SER   4 -27.462  17.164   8.910
   30    H    ASP   5           H        ASP   5 -26.471  12.860  11.346
   31    HA   ASP   5           HA       ASP   5 -24.553  11.353   9.835
   32   1HB   ASP   5          1HB       ASP   5 -24.379  11.803  12.289
   33   2HB   ASP   5          2HB       ASP   5 -24.199  10.093  11.894
   34    H    LEU   6           H        LEU   6 -27.890  10.735  10.773
   35    HA   LEU   6           HA       LEU   6 -27.894   7.923  10.151
   36   1HB   LEU   6          1HB       LEU   6 -30.295   8.083  10.261
   37   2HB   LEU   6          2HB       LEU   6 -30.239   9.833  10.009
   38    HG   LEU   6           HG       LEU   6 -28.587   9.620  12.106
   39   1HD1  LEU   6          1HD1      LEU   6 -30.856  10.884  11.717
   40   2HD1  LEU   6          2HD1      LEU   6 -31.545   9.559  12.656
   41   3HD1  LEU   6          3HD1      LEU   6 -30.309  10.596  13.369
   42   1HD2  LEU   6          1HD2      LEU   6 -29.053   7.111  12.110
   43   2HD2  LEU   6          2HD2      LEU   6 -29.282   7.934  13.653
   44   3HD2  LEU   6          3HD2      LEU   6 -30.680   7.509  12.665
   45    H    GLY   7           H        GLY   7 -28.662  10.847   8.339
   46   1HA   GLY   7          1HA       GLY   7 -29.646   9.687   5.957
   47   2HA   GLY   7          2HA       GLY   7 -28.771  11.219   6.015
   48    H    TYR   8           H        TYR   8 -26.360   9.929   7.160
   49    HA   TYR   8           HA       TYR   8 -25.303   8.879   4.667
   50   1HB   TYR   8          1HB       TYR   8 -23.914   9.846   7.150
   51   2HB   TYR   8          2HB       TYR   8 -23.087   9.216   5.724
   52    HD1  TYR   8           HD1      TYR   8 -25.877  11.567   6.461
   53    HD2  TYR   8           HD2      TYR   8 -22.292  10.803   4.256
   54    HE1  TYR   8           HE1      TYR   8 -26.065  13.810   5.390
   55    HE2  TYR   8           HE2      TYR   8 -22.456  13.031   3.183
   56    HH   TYR   8           HH       TYR   8 -23.949  15.452   4.194
   57    H    THR   9           H        THR   9 -24.280   8.228   7.935
   58    HA   THR   9           HA       THR   9 -23.651   6.221   8.950
   59    HB   THR   9           HB       THR   9 -26.284   5.215   7.954
   60    HG1  THR   9           HG1      THR   9 -26.467   7.478   8.320
   61   1HG2  THR   9          1HG2      THR   9 -24.568   4.992  10.368
   62   2HG2  THR   9          2HG2      THR   9 -26.312   4.989  10.632
   63   3HG2  THR   9          3HG2      THR   9 -25.575   3.768   9.594
   64    H    GLY  10           H        GLY  10 -25.625   4.635   6.438
   65   1HA   GLY  10          1HA       GLY  10 -23.496   2.746   5.904
   66   2HA   GLY  10          2HA       GLY  10 -25.007   2.876   5.000
   67    H    LEU  11           H        LEU  11 -24.944   5.391   3.958
   68    HA   LEU  11           HA       LEU  11 -23.183   5.173   1.795
   69   1HB   LEU  11          1HB       LEU  11 -25.327   6.840   2.544
   70   2HB   LEU  11          2HB       LEU  11 -24.517   6.795   0.984
   71    HG   LEU  11           HG       LEU  11 -23.261   8.372   3.187
   72   1HD1  LEU  11          1HD1      LEU  11 -22.370   7.929   0.777
   73   2HD1  LEU  11          2HD1      LEU  11 -23.585   9.110   0.286
   74   3HD1  LEU  11          3HD1      LEU  11 -22.305   9.575   1.406
   75   1HD2  LEU  11          1HD2      LEU  11 -25.905   8.790   2.676
   76   2HD2  LEU  11          2HD2      LEU  11 -24.792  10.069   3.160
   77   3HD2  LEU  11          3HD2      LEU  11 -25.170   9.828   1.455
   78    H    THR  12           H        THR  12 -22.833   7.075   4.812
   79    HA   THR  12           HA       THR  12 -20.555   8.452   4.167
   80    HB   THR  12           HB       THR  12 -21.698   7.397   6.671
   81    HG1  THR  12           HG1      THR  12 -20.935   9.682   5.442
   82   1HG2  THR  12          1HG2      THR  12 -18.744   7.691   6.305
   83   2HG2  THR  12          2HG2      THR  12 -19.449   8.376   7.770
   84   3HG2  THR  12          3HG2      THR  12 -19.637   6.658   7.421
   85    H    ASP  13           H        ASP  13 -20.326   5.621   6.044
   86    HA   ASP  13           HA       ASP  13 -17.786   4.826   5.771
   87   1HB   ASP  13          1HB       ASP  13 -20.304   3.275   5.840
   88   2HB   ASP  13          2HB       ASP  13 -18.861   2.390   5.342
   89    H    GLU  14           H        GLU  14 -20.053   4.774   3.071
   90    HA   GLU  14           HA       GLU  14 -18.046   3.335   1.503
   91   1HB   GLU  14          1HB       GLU  14 -20.809   3.802   1.224
   92   2HB   GLU  14          2HB       GLU  14 -20.025   4.594  -0.144
   93   1HG   GLU  14          1HG       GLU  14 -18.642   2.356  -0.265
   94   2HG   GLU  14          2HG       GLU  14 -20.024   1.691   0.610
   95    H    GLN  15           H        GLN  15 -19.372   6.665   1.555
   96    HA   GLN  15           HA       GLN  15 -17.663   7.621  -0.531
   97   1HB   GLN  15          1HB       GLN  15 -18.546   9.306   1.763
   98   2HB   GLN  15          2HB       GLN  15 -18.366   9.765   0.071
   99   1HG   GLN  15          1HG       GLN  15 -20.243   7.706   0.022
  100   2HG   GLN  15          2HG       GLN  15 -20.672   8.639   1.456
  101   2HE2  GLN  15          2HE2      GLN  15 -19.713  11.219   0.419
  102   1HE2  GLN  15          1HE2      GLN  15 -20.791  11.687  -0.806
  103    H    ALA  16           H        ALA  16 -17.469   7.463   2.905
  104    HA   ALA  16           HA       ALA  16 -15.044   8.750   3.410
  105   1HB   ALA  16          1HB       ALA  16 -15.619   7.971   5.461
  106   2HB   ALA  16          2HB       ALA  16 -16.755   6.832   4.731
  107   3HB   ALA  16          3HB       ALA  16 -15.064   6.373   4.959
  108    H    GLN  17           H        GLN  17 -15.812   5.690   1.897
  109    HA   GLN  17           HA       GLN  17 -12.964   4.901   1.773
  110   1HB   GLN  17          1HB       GLN  17 -15.496   3.657   0.705
  111   2HB   GLN  17          2HB       GLN  17 -13.890   3.027   0.338
  112   1HG   GLN  17          1HG       GLN  17 -13.505   3.040   2.887
  113   2HG   GLN  17          2HG       GLN  17 -15.255   3.209   3.016
  114   2HE2  GLN  17          2HE2      GLN  17 -13.825   0.850   3.923
  115   1HE2  GLN  17          1HE2      GLN  17 -14.326  -0.454   2.960
  116    H    GLU  18           H        GLU  18 -15.390   6.422  -0.240
  117    HA   GLU  18           HA       GLU  18 -14.318   6.152  -2.804
  118   1HB   GLU  18          1HB       GLU  18 -16.115   7.954  -1.504
  119   2HB   GLU  18          2HB       GLU  18 -14.955   8.924  -2.410
  120   1HG   GLU  18          1HG       GLU  18 -16.006   8.402  -4.326
  121   2HG   GLU  18          2HG       GLU  18 -15.695   6.690  -4.033
  122    H    LEU  19           H        LEU  19 -13.060   7.721  -0.001
  123    HA   LEU  19           HA       LEU  19 -10.803   8.821  -1.595
  124   1HB   LEU  19          1HB       LEU  19 -10.459  10.399   0.130
  125   2HB   LEU  19          2HB       LEU  19 -12.204  10.364  -0.087
  126    HG   LEU  19           HG       LEU  19 -11.831   8.382   1.767
  127   1HD1  LEU  19          1HD1      LEU  19  -9.412   9.884   1.714
  128   2HD1  LEU  19          2HD1      LEU  19 -10.263  10.320   3.197
  129   3HD1  LEU  19          3HD1      LEU  19  -9.880   8.630   2.864
  130   1HD2  LEU  19          1HD2      LEU  19 -12.317  11.351   2.145
  131   2HD2  LEU  19          2HD2      LEU  19 -13.534  10.087   1.956
  132   3HD2  LEU  19          3HD2      LEU  19 -12.556  10.159   3.423
  133    H    HIS  20           H        HIS  20 -11.752   6.672   0.977
  134    HA   HIS  20           HA       HIS  20  -8.993   6.173   1.800
  135   1HB   HIS  20          1HB       HIS  20 -11.602   5.746   2.898
  136   2HB   HIS  20          2HB       HIS  20 -10.709   4.231   2.878
  137    HD1  HIS  20           HD1      HIS  20  -8.598   4.056   4.358
  138    HD2  HIS  20           HD2      HIS  20 -10.410   7.807   4.457
  139    HE1  HIS  20           HE1      HIS  20  -7.511   5.324   6.267
  140    H    SER  21           H        SER  21 -11.495   3.716   1.170
  141    HA   SER  21           HA       SER  21 -10.022   1.578   0.508
  142   1HB   SER  21          1HB       SER  21 -12.366   2.547  -1.113
  143   2HB   SER  21          2HB       SER  21 -11.679   0.937  -1.243
  144    HG   SER  21           HG       SER  21 -12.683   0.402   0.528
  145    H    VAL  22           H        VAL  22 -11.210   3.533  -2.073
  146    HA   VAL  22           HA       VAL  22  -9.711   2.792  -4.166
  147    HB   VAL  22           HB       VAL  22 -11.184   4.520  -4.647
  148   1HG1  VAL  22          1HG1      VAL  22 -10.542   5.288  -1.928
  149   2HG1  VAL  22          2HG1      VAL  22 -10.546   6.710  -2.973
  150   3HG1  VAL  22          3HG1      VAL  22 -11.977   5.680  -2.879
  151   1HG2  VAL  22          1HG2      VAL  22  -8.541   5.970  -4.296
  152   2HG2  VAL  22          2HG2      VAL  22  -9.082   5.128  -5.748
  153   3HG2  VAL  22          3HG2      VAL  22  -9.912   6.590  -5.216
  154    H    TYR  23           H        TYR  23  -8.711   5.150  -1.720
  155    HA   TYR  23           HA       TYR  23  -6.121   5.793  -2.562
  156   1HB   TYR  23          1HB       TYR  23  -7.636   6.284  -0.326
  157   2HB   TYR  23          2HB       TYR  23  -6.352   5.282   0.327
  158    HD1  TYR  23           HD1      TYR  23  -3.975   5.918  -1.043
  159    HD2  TYR  23           HD2      TYR  23  -7.206   8.546   0.005
  160    HE1  TYR  23           HE1      TYR  23  -2.422   7.859  -1.094
  161    HE2  TYR  23           HE2      TYR  23  -5.666  10.478  -0.035
  162    HH   TYR  23           HH       TYR  23  -3.348  10.951  -1.311
  163    H    MET  24           H        MET  24  -6.718   3.474   0.078
  164    HA   MET  24           HA       MET  24  -4.326   2.307   0.420
  165   1HB   MET  24          1HB       MET  24  -5.383   0.391   1.236
  166   2HB   MET  24          2HB       MET  24  -6.688   1.577   1.288
  167   1HG   MET  24          1HG       MET  24  -7.098   0.686  -1.197
  168   2HG   MET  24          2HG       MET  24  -6.305  -0.750  -0.554
  169   1HE   MET  24          1HE       MET  24  -8.257  -2.039  -1.149
  170   2HE   MET  24          2HE       MET  24  -9.845  -2.016  -0.386
  171   3HE   MET  24          3HE       MET  24  -9.431  -0.789  -1.583
  172    H    SER  25           H        SER  25  -6.278   1.766  -2.486
  173    HA   SER  25           HA       SER  25  -4.621  -0.332  -3.561
  174   1HB   SER  25          1HB       SER  25  -6.925   0.222  -4.385
  175   2HB   SER  25          2HB       SER  25  -6.280   1.705  -5.081
  176    HG   SER  25           HG       SER  25  -5.104  -0.791  -5.648
  177    H    GLY  26           H        GLY  26  -4.875   3.028  -4.766
  178   1HA   GLY  26          1HA       GLY  26  -2.202   2.888  -5.922
  179   2HA   GLY  26          2HA       GLY  26  -3.252   4.301  -5.909
  180    H    LEU  27           H        LEU  27  -2.848   2.901  -2.827
  181    HA   LEU  27           HA       LEU  27  -1.277   5.206  -1.965
  182   1HB   LEU  27          1HB       LEU  27  -3.305   3.746  -0.836
  183   2HB   LEU  27          2HB       LEU  27  -1.890   3.095  -0.011
  184    HG   LEU  27           HG       LEU  27  -2.198   6.071  -0.299
  185   1HD1  LEU  27          1HD1      LEU  27  -4.339   5.070   0.641
  186   2HD1  LEU  27          2HD1      LEU  27  -3.371   4.462   1.984
  187   3HD1  LEU  27          3HD1      LEU  27  -3.508   6.198   1.712
  188   1HD2  LEU  27          1HD2      LEU  27  -0.176   4.613   0.656
  189   2HD2  LEU  27          2HD2      LEU  27  -0.625   6.147   1.400
  190   3HD2  LEU  27          3HD2      LEU  27  -1.169   4.628   2.113
  191    H    TRP  28           H        TRP  28  -1.026   1.655  -1.480
  192    HA   TRP  28           HA       TRP  28   1.700   1.785  -0.683
  193   1HB   TRP  28          1HB       TRP  28   0.389  -0.122   0.000
  194   2HB   TRP  28          2HB       TRP  28  -0.040  -0.475  -1.672
  195    HD1  TRP  28           HD1      TRP  28   2.351  -0.695  -3.230
  196    HE1  TRP  28           HE1      TRP  28   4.324  -2.297  -2.735
  197    HE3  TRP  28           HE3      TRP  28   1.575  -1.476   1.731
  198    HZ2  TRP  28           HZ2      TRP  28   5.410  -3.721  -0.496
  199    HZ3  TRP  28           HZ3      TRP  28   3.081  -2.954   3.031
  200    HH2  TRP  28           HH2      TRP  28   4.995  -4.077   1.925
  201    H    LEU  29           H        LEU  29   0.081   1.631  -3.694
  202    HA   LEU  29           HA       LEU  29   2.658   1.194  -5.090
  203   1HB   LEU  29          1HB       LEU  29   0.811   2.005  -7.029
  204   2HB   LEU  29          2HB       LEU  29   1.306   0.347  -6.696
  205    HG   LEU  29           HG       LEU  29  -0.905   1.773  -5.261
  206   1HD1  LEU  29          1HD1      LEU  29  -0.851   0.193  -7.790
  207   2HD1  LEU  29          2HD1      LEU  29  -2.217  -0.056  -6.703
  208   3HD1  LEU  29          3HD1      LEU  29  -1.881   1.552  -7.344
  209   1HD2  LEU  29          1HD2      LEU  29   0.525  -0.672  -4.824
  210   2HD2  LEU  29          2HD2      LEU  29  -0.818  -0.017  -3.886
  211   3HD2  LEU  29          3HD2      LEU  29  -1.137  -1.072  -5.264
  212    H    PHE  30           H        PHE  30   0.505   3.750  -4.063
  213    HA   PHE  30           HA       PHE  30   1.115   5.873  -5.653
  214   1HB   PHE  30          1HB       PHE  30   0.227   5.611  -3.012
  215   2HB   PHE  30          2HB       PHE  30   1.657   6.637  -2.911
  216    HD1  PHE  30           HD1      PHE  30  -0.662   6.405  -5.812
  217    HD2  PHE  30           HD2      PHE  30   0.642   8.750  -2.458
  218    HE1  PHE  30           HE1      PHE  30  -1.967   8.335  -6.655
  219    HE2  PHE  30           HE2      PHE  30  -0.665  10.681  -3.301
  220    HZ   PHE  30           HZ       PHE  30  -1.970  10.474  -5.399
  221    H    SER  31           H        SER  31   3.146   4.155  -3.505
  222    HA   SER  31           HA       SER  31   5.477   5.880  -3.744
  223   1HB   SER  31          1HB       SER  31   4.799   3.529  -2.302
  224   2HB   SER  31          2HB       SER  31   6.174   3.104  -3.320
  225    HG   SER  31           HG       SER  31   6.462   4.195  -1.117
  226    H    ALA  32           H        ALA  32   4.664   2.681  -5.173
  227    HA   ALA  32           HA       ALA  32   6.742   2.782  -7.194
  228   1HB   ALA  32          1HB       ALA  32   4.336   1.223  -7.863
  229   2HB   ALA  32          2HB       ALA  32   6.010   0.692  -7.701
  230   3HB   ALA  32          3HB       ALA  32   4.992   0.852  -6.269
  231    H    VAL  33           H        VAL  33   3.161   2.871  -7.766
  232    HA   VAL  33           HA       VAL  33   3.062   3.847 -10.321
  233    HB   VAL  33           HB       VAL  33   1.568   4.878  -7.942
  234   1HG1  VAL  33          1HG1      VAL  33   1.684   5.944 -10.570
  235   2HG1  VAL  33          2HG1      VAL  33   0.113   5.151 -10.401
  236   3HG1  VAL  33          3HG1      VAL  33   0.592   6.413  -9.262
  237   1HG2  VAL  33          1HG2      VAL  33   1.474   2.391  -8.885
  238   2HG2  VAL  33          2HG2      VAL  33   0.007   3.207  -8.339
  239   3HG2  VAL  33          3HG2      VAL  33   0.387   3.130 -10.059
  240    H    ALA  34           H        ALA  34   3.713   5.878  -7.425
  241    HA   ALA  34           HA       ALA  34   3.922   8.362  -8.763
  242   1HB   ALA  34          1HB       ALA  34   5.862   8.734  -7.043
  243   2HB   ALA  34          2HB       ALA  34   4.202   8.577  -6.452
  244   3HB   ALA  34          3HB       ALA  34   5.308   7.199  -6.369
  245    H    ILE  35           H        ILE  35   6.553   6.141  -7.901
  246    HA   ILE  35           HA       ILE  35   8.639   7.250  -9.306
  247    HB   ILE  35           HB       ILE  35   8.310   4.329  -9.687
  248   1HG1  ILE  35          1HG1      ILE  35   8.292   5.658  -6.990
  249   2HG1  ILE  35          2HG1      ILE  35   7.266   4.365  -7.609
  250   1HG2  ILE  35          1HG2      ILE  35  10.291   6.101  -9.891
  251   2HG2  ILE  35          2HG2      ILE  35  10.491   5.660  -8.195
  252   3HG2  ILE  35          3HG2      ILE  35  10.588   4.417  -9.444
  253   1HD1  ILE  35          1HD1      ILE  35   9.847   3.343  -7.860
  254   2HD1  ILE  35          2HD1      ILE  35   9.868   4.179  -6.306
  255   3HD1  ILE  35          3HD1      ILE  35   8.678   2.913  -6.610
  256    H    VAL  36           H        VAL  36   5.809   5.596 -10.495
  257    HA   VAL  36           HA       VAL  36   6.870   5.296 -13.180
  258    HB   VAL  36           HB       VAL  36   3.952   5.385 -12.399
  259   1HG1  VAL  36          1HG1      VAL  36   5.402   4.862 -14.796
  260   2HG1  VAL  36          2HG1      VAL  36   4.721   3.328 -14.248
  261   3HG1  VAL  36          3HG1      VAL  36   3.665   4.712 -14.528
  262   1HG2  VAL  36          1HG2      VAL  36   5.451   3.915 -10.875
  263   2HG2  VAL  36          2HG2      VAL  36   4.091   3.114 -11.674
  264   3HG2  VAL  36          3HG2      VAL  36   5.721   2.930 -12.316
  265    H    ALA  37           H        ALA  37   4.633   7.572 -11.602
  266    HA   ALA  37           HA       ALA  37   4.092   9.253 -13.710
  267   1HB   ALA  37          1HB       ALA  37   4.813  10.403 -11.030
  268   2HB   ALA  37          2HB       ALA  37   3.385   9.377 -11.184
  269   3HB   ALA  37          3HB       ALA  37   3.505  10.870 -12.116
  270    H    HIS  38           H        HIS  38   7.045   8.850 -11.805
  271    HA   HIS  38           HA       HIS  38   8.320  11.163 -13.053
  272   1HB   HIS  38          1HB       HIS  38  10.312  10.484 -11.829
  273   2HB   HIS  38          2HB       HIS  38   9.598   8.908 -11.486
  274    HD1  HIS  38           HD1      HIS  38  10.272  10.208  -8.984
  275    HD2  HIS  38           HD2      HIS  38   6.748  11.230 -10.964
  276    HE1  HIS  38           HE1      HIS  38   8.753  11.257  -7.249
  277    H    LEU  39           H        LEU  39   8.301   7.671 -13.556
  278    HA   LEU  39           HA       LEU  39  10.256   7.946 -15.742
  279   1HB   LEU  39          1HB       LEU  39  10.302   5.538 -15.799
  280   2HB   LEU  39          2HB       LEU  39   8.842   5.436 -14.816
  281    HG   LEU  39           HG       LEU  39  10.084   6.566 -12.962
  282   1HD1  LEU  39          1HD1      LEU  39  11.219   3.991 -14.083
  283   2HD1  LEU  39          2HD1      LEU  39  11.568   4.586 -12.459
  284   3HD1  LEU  39          3HD1      LEU  39   9.915   4.159 -12.905
  285   1HD2  LEU  39          1HD2      LEU  39  11.768   7.700 -14.379
  286   2HD2  LEU  39          2HD2      LEU  39  12.542   6.715 -13.137
  287   3HD2  LEU  39          3HD2      LEU  39  12.461   6.133 -14.801
  288    H    ALA  40           H        ALA  40   7.156   6.229 -15.402
  289    HA   ALA  40           HA       ALA  40   6.340   5.836 -17.943
  290   1HB   ALA  40          1HB       ALA  40   4.518   5.349 -16.705
  291   2HB   ALA  40          2HB       ALA  40   4.949   6.537 -15.471
  292   3HB   ALA  40          3HB       ALA  40   4.064   7.043 -16.911
  293    H    VAL  41           H        VAL  41   6.591   9.042 -16.432
  294    HA   VAL  41           HA       VAL  41   5.256  10.415 -18.589
  295    HB   VAL  41           HB       VAL  41   7.124  11.358 -16.409
  296   1HG1  VAL  41          1HG1      VAL  41   5.701  12.889 -18.597
  297   2HG1  VAL  41          2HG1      VAL  41   6.226  13.653 -17.098
  298   3HG1  VAL  41          3HG1      VAL  41   7.415  12.934 -18.185
  299   1HG2  VAL  41          1HG2      VAL  41   4.729  10.497 -15.958
  300   2HG2  VAL  41          2HG2      VAL  41   5.142  12.094 -15.329
  301   3HG2  VAL  41          3HG2      VAL  41   4.187  11.947 -16.805
  302    H    TYR  42           H        TYR  42   8.735  10.395 -17.693
  303    HA   TYR  42           HA       TYR  42   9.444  11.343 -20.358
  304   1HB   TYR  42          1HB       TYR  42  11.223  10.387 -18.100
  305   2HB   TYR  42          2HB       TYR  42  11.754  11.261 -19.537
  306    HD1  TYR  42           HD1      TYR  42  10.920  13.608 -19.940
  307    HD2  TYR  42           HD2      TYR  42  10.270  11.527 -16.242
  308    HE1  TYR  42           HE1      TYR  42  10.405  15.761 -18.821
  309    HE2  TYR  42           HE2      TYR  42   9.753  13.679 -15.120
  310    HH   TYR  42           HH       TYR  42   9.466  16.677 -16.947
  311    H    ILE  43           H        ILE  43   8.352   8.466 -19.512
  312    HA   ILE  43           HA       ILE  43  10.418   6.905 -20.986
  313    HB   ILE  43           HB       ILE  43   8.284   6.173 -18.990
  314   1HG1  ILE  43          1HG1      ILE  43  11.259   5.724 -19.316
  315   2HG1  ILE  43          2HG1      ILE  43  10.426   6.601 -18.032
  316   1HG2  ILE  43          1HG2      ILE  43   9.679   4.270 -20.901
  317   2HG2  ILE  43          2HG2      ILE  43   8.706   3.782 -19.513
  318   3HG2  ILE  43          3HG2      ILE  43   7.952   4.623 -20.868
  319   1HD1  ILE  43          1HD1      ILE  43   9.316   4.419 -17.391
  320   2HD1  ILE  43          2HD1      ILE  43  10.397   3.613 -18.528
  321   3HD1  ILE  43          3HD1      ILE  43  11.059   4.460 -17.130
  322    H    TRP  44           H        TRP  44   7.160   8.115 -21.179
  323    HA   TRP  44           HA       TRP  44   6.563   6.332 -23.469
  324   1HB   TRP  44          1HB       TRP  44   4.905   8.278 -21.864
  325   2HB   TRP  44          2HB       TRP  44   4.317   7.579 -23.372
  326    HD1  TRP  44           HD1      TRP  44   6.039   6.182 -20.188
  327    HE1  TRP  44           HE1      TRP  44   4.830   4.004 -19.522
  328    HE3  TRP  44           HE3      TRP  44   2.531   5.950 -23.893
  329    HZ2  TRP  44           HZ2      TRP  44   2.662   2.379 -20.440
  330    HZ3  TRP  44           HZ3      TRP  44   0.909   4.080 -23.973
  331    HH2  TRP  44           HH2      TRP  44   0.970   2.295 -22.252
  332    H    ARG  45           H        ARG  45   8.299   9.010 -23.140
  333    HA   ARG  45           HA       ARG  45   7.142  10.558 -25.345
  334   1HB   ARG  45          1HB       ARG  45   8.539  12.276 -24.747
  335   2HB   ARG  45          2HB       ARG  45   9.858  11.194 -24.310
  336   1HG   ARG  45          1HG       ARG  45   8.762  12.348 -22.346
  337   2HG   ARG  45          2HG       ARG  45   8.753  10.587 -22.242
  338   1HD   ARG  45          1HD       ARG  45   6.427  11.655 -23.670
  339   2HD   ARG  45          2HD       ARG  45   6.491  10.501 -22.339
  340    HE   ARG  45           HE       ARG  45   7.040  12.878 -21.083
  341   1HH1  ARG  45          1HH1      ARG  45   5.598  14.310 -23.251
  342   2HH1  ARG  45          2HH1      ARG  45   3.961  14.299 -22.686
  343   1HH2  ARG  45          1HH2      ARG  45   4.501  11.781 -20.363
  344   2HH2  ARG  45          2HH2      ARG  45   3.339  12.867 -21.051
  345   1HB   PRO  46          1HB       PRO  46  12.600   7.106 -26.118
  346   2HB   PRO  46          2HB       PRO  46  12.843   8.853 -25.942
  347   1HG   PRO  46          1HG       PRO  46  12.356   8.518 -23.716
  348   2HG   PRO  46          2HG       PRO  46  11.619   6.938 -24.029
  349   1HD   PRO  46          1HD       PRO  46   9.561   7.928 -23.875
  350   2HD   PRO  46          2HD       PRO  46  10.298   9.533 -23.725
  351    H    TRP  47           H        TRP  47   8.455   7.501 -26.835
  352    HA   TRP  47           HA       TRP  47   8.995   5.235 -28.610
  353   1HB   TRP  47          1HB       TRP  47   8.249   3.504 -27.089
  354   2HB   TRP  47          2HB       TRP  47   7.894   4.694 -25.837
  355    HD1  TRP  47           HD1      TRP  47   9.939   5.805 -24.564
  356    HE1  TRP  47           HE1      TRP  47  12.404   5.096 -24.309
  357    HE3  TRP  47           HE3      TRP  47  10.249   2.331 -28.295
  358    HZ2  TRP  47           HZ2      TRP  47  14.262   3.294 -25.525
  359    HZ3  TRP  47           HZ3      TRP  47  12.377   1.134 -28.724
  360    HH2  TRP  47           HH2      TRP  47  14.382   1.611 -27.346
  361    H    PHE  48           H        PHE  48   6.588   6.557 -26.309
  362    HA   PHE  48           HA       PHE  48   4.295   6.964 -26.596
  363   1HB   PHE  48          1HB       PHE  48   5.540   8.237 -28.607
  364   2HB   PHE  48          2HB       PHE  48   4.607   7.081 -29.559
  365    HD1  PHE  48           HD1      PHE  48   2.072   6.787 -28.700
  366    HD2  PHE  48           HD2      PHE  48   4.520  10.264 -28.090
  367    HE1  PHE  48           HE1      PHE  48   0.035   8.165 -28.379
  368    HE2  PHE  48           HE2      PHE  48   2.483  11.641 -27.768
  369    HZ   PHE  48           HZ       PHE  48   0.241  10.591 -27.913

  No H/Q in entry =         369
  Start of MODEL    3
    1    H1   ALA   1           H1       ALA   1  28.442  10.894  31.944
    2    H2   ALA   1           H2       ALA   1  29.834  10.713  30.994
    3    H3   ALA   1           H3       ALA   1  29.975  11.156  32.628
    4    HA   ALA   1           HA       ALA   1  29.153  13.293  32.267
    5   1HB   ALA   1          1HB       ALA   1  30.936  14.088  31.106
    6   2HB   ALA   1          2HB       ALA   1  30.518  13.165  29.662
    7   3HB   ALA   1          3HB       ALA   1  31.412  12.395  30.972
    8    H    ASP   2           H        ASP   2  28.327  11.040  29.717
    9    HA   ASP   2           HA       ASP   2  26.361  13.039  28.676
   10   1HB   ASP   2          1HB       ASP   2  28.131  11.083  27.322
   11   2HB   ASP   2          2HB       ASP   2  26.492  11.210  26.683
   12    H    LYS   3           H        LYS   3  26.324   9.669  27.799
   13    HA   LYS   3           HA       LYS   3  24.863   7.919  28.415
   14   1HB   LYS   3          1HB       LYS   3  24.985   9.530  30.738
   15   2HB   LYS   3          2HB       LYS   3  23.275   9.221  30.438
   16   1HG   LYS   3          1HG       LYS   3  23.508   6.921  30.665
   17   2HG   LYS   3          2HG       LYS   3  25.212   6.945  30.208
   18   1HD   LYS   3          1HD       LYS   3  25.297   8.451  32.469
   19   2HD   LYS   3          2HD       LYS   3  25.546   6.704  32.454
   20   1HE   LYS   3          1HE       LYS   3  22.919   6.627  32.637
   21   2HE   LYS   3          2HE       LYS   3  23.887   6.922  34.082
   22   1HZ   LYS   3          1HZ       LYS   3  23.573   9.395  33.024
   23   2HZ   LYS   3          2HZ       LYS   3  22.069   8.670  32.709
   24   3HZ   LYS   3          3HZ       LYS   3  22.654   8.748  34.299
   25    H    SER   4           H        SER   4  24.067  10.948  27.286
   26    HA   SER   4           HA       SER   4  21.177  10.720  27.223
   27   1HB   SER   4          1HB       SER   4  23.065  12.703  26.599
   28   2HB   SER   4          2HB       SER   4  22.280  12.324  25.069
   29    HG   SER   4           HG       SER   4  20.482  13.152  25.798
   30    H    ASP   5           H        ASP   5  23.791   9.515  25.259
   31    HA   ASP   5           HA       ASP   5  22.325   9.049  22.841
   32   1HB   ASP   5          1HB       ASP   5  24.940   8.562  23.784
   33   2HB   ASP   5          2HB       ASP   5  24.291   6.984  23.333
   34    H    LEU   6           H        LEU   6  22.587   7.252  25.861
   35    HA   LEU   6           HA       LEU   6  21.469   4.786  24.943
   36   1HB   LEU   6          1HB       LEU   6  21.008   4.317  27.272
   37   2HB   LEU   6          2HB       LEU   6  21.110   6.033  27.683
   38    HG   LEU   6           HG       LEU   6  23.460   5.724  26.448
   39   1HD1  LEU   6          1HD1      LEU   6  22.764   5.143  29.337
   40   2HD1  LEU   6          2HD1      LEU   6  24.426   5.331  28.776
   41   3HD1  LEU   6          3HD1      LEU   6  23.293   6.676  28.647
   42   1HD2  LEU   6          1HD2      LEU   6  22.883   3.254  26.151
   43   2HD2  LEU   6          2HD2      LEU   6  24.455   3.593  26.875
   44   3HD2  LEU   6          3HD2      LEU   6  23.104   3.093  27.894
   45    H    GLY   7           H        GLY   7  19.812   7.203  26.968
   46   1HA   GLY   7          1HA       GLY   7  17.195   6.602  26.860
   47   2HA   GLY   7          2HA       GLY   7  17.683   8.262  26.514
   48    H    TYR   8           H        TYR   8  18.835   8.084  24.077
   49    HA   TYR   8           HA       TYR   8  16.734   7.956  22.238
   50   1HB   TYR   8          1HB       TYR   8  18.663   9.263  21.771
   51   2HB   TYR   8          2HB       TYR   8  19.734   7.903  22.072
   52    HD1  TYR   8           HD1      TYR   8  17.198   9.271  19.744
   53    HD2  TYR   8           HD2      TYR   8  20.307   6.373  20.369
   54    HE1  TYR   8           HE1      TYR   8  17.270   8.831  17.298
   55    HE2  TYR   8           HE2      TYR   8  20.385   5.928  17.918
   56    HH   TYR   8           HH       TYR   8  18.399   7.814  15.646
   57    H    THR   9           H        THR   9  19.587   5.972  21.983
   58    HA   THR   9           HA       THR   9  19.628   3.807  20.868
   59    HB   THR   9           HB       THR   9  20.152   4.066  23.395
   60    HG1  THR   9           HG1      THR   9  21.049   2.475  22.308
   61   1HG2  THR   9          1HG2      THR   9  17.423   3.445  23.622
   62   2HG2  THR   9          2HG2      THR   9  18.279   1.986  24.121
   63   3HG2  THR   9          3HG2      THR   9  18.607   3.517  24.926
   64    H    GLY  10           H        GLY  10  17.809   1.734  22.410
   65   1HA   GLY  10          1HA       GLY  10  16.090   0.953  20.470
   66   2HA   GLY  10          2HA       GLY  10  15.654   0.810  22.168
   67    H    LEU  11           H        LEU  11  15.391   3.751  22.657
   68    HA   LEU  11           HA       LEU  11  12.724   4.120  21.991
   69   1HB   LEU  11          1HB       LEU  11  13.144   5.840  23.413
   70   2HB   LEU  11          2HB       LEU  11  14.874   5.715  23.122
   71    HG   LEU  11           HG       LEU  11  14.449   6.927  20.944
   72   1HD1  LEU  11          1HD1      LEU  11  11.935   6.492  21.104
   73   2HD1  LEU  11          2HD1      LEU  11  11.894   7.769  22.320
   74   3HD1  LEU  11          3HD1      LEU  11  12.406   8.137  20.674
   75   1HD2  LEU  11          1HD2      LEU  11  15.138   7.814  23.385
   76   2HD2  LEU  11          2HD2      LEU  11  14.975   8.900  22.005
   77   3HD2  LEU  11          3HD2      LEU  11  13.654   8.743  23.163
   78    H    THR  12           H        THR  12  15.607   5.281  20.330
   79    HA   THR  12           HA       THR  12  14.653   6.547  18.162
   80    HB   THR  12           HB       THR  12  16.640   4.306  17.925
   81    HG1  THR  12           HG1      THR  12  16.660   6.574  19.392
   82   1HG2  THR  12          1HG2      THR  12  15.785   5.615  15.884
   83   2HG2  THR  12          2HG2      THR  12  16.651   6.994  16.554
   84   3HG2  THR  12          3HG2      THR  12  17.531   5.533  16.106
   85    H    ASP  13           H        ASP  13  15.240   3.131  18.106
   86    HA   ASP  13           HA       ASP  13  14.116   2.291  15.845
   87   1HB   ASP  13          1HB       ASP  13  14.048   1.146  18.543
   88   2HB   ASP  13          2HB       ASP  13  12.768   0.544  17.489
   89    H    GLU  14           H        GLU  14  12.105   3.428  18.517
   90    HA   GLU  14           HA       GLU  14   9.809   3.210  16.682
   91   1HB   GLU  14          1HB       GLU  14  10.083   3.206  19.506
   92   2HB   GLU  14          2HB       GLU  14   9.133   4.627  19.070
   93   1HG   GLU  14          1HG       GLU  14   7.354   3.261  18.845
   94   2HG   GLU  14          2HG       GLU  14   8.153   2.595  17.420
   95    H    GLN  15           H        GLN  15  11.745   5.740  18.280
   96    HA   GLN  15           HA       GLN  15  10.197   7.931  17.231
   97   1HB   GLN  15          1HB       GLN  15  11.472   8.616  19.004
   98   2HB   GLN  15          2HB       GLN  15  12.826   7.598  18.555
   99   1HG   GLN  15          1HG       GLN  15  13.841   9.350  17.569
  100   2HG   GLN  15          2HG       GLN  15  12.449   9.587  16.509
  101   2HE2  GLN  15          2HE2      GLN  15  11.006  11.310  16.997
  102   1HE2  GLN  15          1HE2      GLN  15  11.214  12.352  18.322
  103    H    ALA  16           H        ALA  16  13.073   6.267  16.239
  104    HA   ALA  16           HA       ALA  16  13.662   7.692  13.888
  105   1HB   ALA  16          1HB       ALA  16  14.223   5.049  15.015
  106   2HB   ALA  16          2HB       ALA  16  15.252   6.058  13.993
  107   3HB   ALA  16          3HB       ALA  16  14.050   4.994  13.258
  108    H    GLN  17           H        GLN  17  11.126   5.471  14.829
  109    HA   GLN  17           HA       GLN  17  10.108   5.255  12.074
  110   1HB   GLN  17          1HB       GLN  17   9.122   4.231  14.731
  111   2HB   GLN  17          2HB       GLN  17   8.169   4.092  13.253
  112   1HG   GLN  17          1HG       GLN  17  10.049   2.925  12.161
  113   2HG   GLN  17          2HG       GLN  17  10.966   3.026  13.662
  114   2HE2  GLN  17          2HE2      GLN  17  10.032   0.539  12.295
  115   1HE2  GLN  17          1HE2      GLN  17   9.038  -0.261  13.415
  116    H    GLU  18           H        GLU  18   9.576   7.208  14.925
  117    HA   GLU  18           HA       GLU  18   6.989   8.190  14.441
  118   1HB   GLU  18          1HB       GLU  18   9.303   9.047  15.924
  119   2HB   GLU  18          2HB       GLU  18   8.621  10.436  15.077
  120   1HG   GLU  18          1HG       GLU  18   6.855  10.508  16.474
  121   2HG   GLU  18          2HG       GLU  18   6.519   8.795  16.222
  122    H    LEU  19           H        LEU  19   9.929   8.585  12.645
  123    HA   LEU  19           HA       LEU  19   8.597  10.550  10.831
  124   1HB   LEU  19          1HB       LEU  19  10.741  11.283  10.200
  125   2HB   LEU  19          2HB       LEU  19  11.531   9.874  10.871
  126    HG   LEU  19           HG       LEU  19  11.699  12.053  12.214
  127   1HD1  LEU  19          1HD1      LEU  19   9.009  12.187  11.859
  128   2HD1  LEU  19          2HD1      LEU  19   9.077  11.371  13.426
  129   3HD1  LEU  19          3HD1      LEU  19   9.842  12.944  13.220
  130   1HD2  LEU  19          1HD2      LEU  19  11.764   9.415  12.888
  131   2HD2  LEU  19          2HD2      LEU  19  12.100  10.727  14.026
  132   3HD2  LEU  19          3HD2      LEU  19  10.493  10.001  13.970
  133    H    HIS  20           H        HIS  20   9.624   7.346  11.109
  134    HA   HIS  20           HA       HIS  20   9.794   7.093   8.206
  135   1HB   HIS  20          1HB       HIS  20  11.043   5.696  10.516
  136   2HB   HIS  20          2HB       HIS  20  10.870   4.859   8.985
  137    HD1  HIS  20           HD1      HIS  20  13.656   5.571   9.814
  138    HD2  HIS  20           HD2      HIS  20  11.282   8.177   7.655
  139    HE1  HIS  20           HE1      HIS  20  15.255   7.157   8.648
  140    H    SER  21           H        SER  21   8.916   4.732  10.808
  141    HA   SER  21           HA       SER  21   7.244   3.144   9.374
  142   1HB   SER  21          1HB       SER  21   6.631   4.222  12.117
  143   2HB   SER  21          2HB       SER  21   5.781   2.881  11.373
  144    HG   SER  21           HG       SER  21   7.451   1.621  11.733
  145    H    VAL  22           H        VAL  22   5.841   5.593  11.347
  146    HA   VAL  22           HA       VAL  22   3.428   5.868  10.144
  147    HB   VAL  22           HB       VAL  22   3.768   7.130  12.098
  148   1HG1  VAL  22          1HG1      VAL  22   6.430   7.276  11.122
  149   2HG1  VAL  22          2HG1      VAL  22   5.902   8.946  11.336
  150   3HG1  VAL  22          3HG1      VAL  22   5.844   7.820  12.693
  151   1HG2  VAL  22          1HG2      VAL  22   3.018   8.505   9.796
  152   2HG2  VAL  22          2HG2      VAL  22   2.818   9.082  11.450
  153   3HG2  VAL  22          3HG2      VAL  22   4.242   9.549  10.520
  154    H    TYR  23           H        TYR  23   6.337   7.756   9.378
  155    HA   TYR  23           HA       TYR  23   5.262   9.026   7.029
  156   1HB   TYR  23          1HB       TYR  23   7.446   9.314   8.791
  157   2HB   TYR  23          2HB       TYR  23   8.127   9.090   7.187
  158    HD1  TYR  23           HD1      TYR  23   6.936  10.419   5.278
  159    HD2  TYR  23           HD2      TYR  23   6.870  11.423   9.442
  160    HE1  TYR  23           HE1      TYR  23   6.427  12.798   4.700
  161    HE2  TYR  23           HE2      TYR  23   6.378  13.784   8.896
  162    HH   TYR  23           HH       TYR  23   6.362  14.918   5.537
  163    H    MET  24           H        MET  24   8.393   7.387   7.082
  164    HA   MET  24           HA       MET  24   8.647   6.816   4.456
  165   1HB   MET  24          1HB       MET  24   9.988   5.995   6.776
  166   2HB   MET  24          2HB       MET  24   9.490   4.479   6.021
  167   1HG   MET  24          1HG       MET  24  10.396   5.466   3.828
  168   2HG   MET  24          2HG       MET  24  11.169   6.687   4.839
  169   1HE   MET  24          1HE       MET  24  12.952   6.728   5.612
  170   2HE   MET  24          2HE       MET  24  13.406   5.610   6.896
  171   3HE   MET  24          3HE       MET  24  14.267   5.585   5.351
  172    H    SER  25           H        SER  25   6.392   5.195   6.608
  173    HA   SER  25           HA       SER  25   5.961   2.883   4.926
  174   1HB   SER  25          1HB       SER  25   5.235   2.958   7.298
  175   2HB   SER  25          2HB       SER  25   4.050   4.193   6.885
  176    HG   SER  25           HG       SER  25   4.118   1.465   6.263
  177    H    GLY  26           H        GLY  26   3.845   5.747   5.436
  178   1HA   GLY  26          1HA       GLY  26   2.277   5.188   3.074
  179   2HA   GLY  26          2HA       GLY  26   2.283   6.712   3.965
  180    H    LEU  27           H        LEU  27   5.378   6.440   3.503
  181    HA   LEU  27           HA       LEU  27   5.329   7.990   1.006
  182   1HB   LEU  27          1HB       LEU  27   7.038   7.824   3.410
  183   2HB   LEU  27          2HB       LEU  27   7.882   8.159   1.894
  184    HG   LEU  27           HG       LEU  27   6.042   9.941   1.506
  185   1HD1  LEU  27          1HD1      LEU  27   5.611   9.138   4.372
  186   2HD1  LEU  27          2HD1      LEU  27   5.343  10.816   3.892
  187   3HD1  LEU  27          3HD1      LEU  27   4.418   9.522   3.131
  188   1HD2  LEU  27          1HD2      LEU  27   8.302  10.059   3.483
  189   2HD2  LEU  27          2HD2      LEU  27   8.170  10.819   1.898
  190   3HD2  LEU  27          3HD2      LEU  27   7.273  11.475   3.267
  191    H    TRP  28           H        TRP  28   6.017   4.860   2.115
  192    HA   TRP  28           HA       TRP  28   8.052   4.270   0.136
  193   1HB   TRP  28          1HB       TRP  28   8.204   3.118   2.261
  194   2HB   TRP  28          2HB       TRP  28   6.537   2.567   2.115
  195    HD1  TRP  28           HD1      TRP  28   6.190   1.231  -0.394
  196    HE1  TRP  28           HE1      TRP  28   7.599  -0.769  -1.237
  197    HE3  TRP  28           HE3      TRP  28  10.366   1.886   2.433
  198    HZ2  TRP  28           HZ2      TRP  28  10.177  -1.926  -0.752
  199    HZ3  TRP  28           HZ3      TRP  28  12.286   0.331   2.234
  200    HH2  TRP  28           HH2      TRP  28  12.197  -1.572   0.646
  201    H    LEU  29           H        LEU  29   4.677   4.245   0.467
  202    HA   LEU  29           HA       LEU  29   4.205   2.473  -1.817
  203   1HB   LEU  29          1HB       LEU  29   2.281   2.258  -0.646
  204   2HB   LEU  29          2HB       LEU  29   2.647   3.671   0.332
  205    HG   LEU  29           HG       LEU  29   1.872   5.037  -1.748
  206   1HD1  LEU  29          1HD1      LEU  29   1.783   2.632  -2.959
  207   2HD1  LEU  29          2HD1      LEU  29   0.132   2.697  -2.342
  208   3HD1  LEU  29          3HD1      LEU  29   0.721   3.962  -3.420
  209   1HD2  LEU  29          1HD2      LEU  29   0.700   4.510   0.534
  210   2HD2  LEU  29          2HD2      LEU  29  -0.251   5.193  -0.788
  211   3HD2  LEU  29          3HD2      LEU  29  -0.330   3.463  -0.445
  212    H    PHE  30           H        PHE  30   3.895   5.960  -1.093
  213    HA   PHE  30           HA       PHE  30   3.193   6.659  -3.748
  214   1HB   PHE  30          1HB       PHE  30   3.845   8.085  -1.263
  215   2HB   PHE  30          2HB       PHE  30   4.266   8.958  -2.737
  216    HD1  PHE  30           HD1      PHE  30   1.447   6.847  -1.422
  217    HD2  PHE  30           HD2      PHE  30   2.623  10.320  -3.661
  218    HE1  PHE  30           HE1      PHE  30  -0.937   7.442  -1.752
  219    HE2  PHE  30           HE2      PHE  30   0.238  10.914  -3.991
  220    HZ   PHE  30           HZ       PHE  30  -1.542   9.476  -3.036
  221    H    SER  31           H        SER  31   6.044   5.607  -2.428
  222    HA   SER  31           HA       SER  31   7.810   7.139  -4.228
  223   1HB   SER  31          1HB       SER  31   8.551   6.504  -1.916
  224   2HB   SER  31          2HB       SER  31   8.478   4.810  -2.395
  225    HG   SER  31           HG       SER  31  10.450   6.538  -2.754
  226    H    ALA  32           H        ALA  32   5.714   4.692  -4.652
  227    HA   ALA  32           HA       ALA  32   7.401   3.389  -6.751
  228   1HB   ALA  32          1HB       ALA  32   5.348   1.616  -6.310
  229   2HB   ALA  32          2HB       ALA  32   6.938   1.490  -5.555
  230   3HB   ALA  32          3HB       ALA  32   5.605   2.249  -4.684
  231    H    VAL  33           H        VAL  33   4.078   4.363  -5.814
  232    HA   VAL  33           HA       VAL  33   3.058   4.094  -8.495
  233    HB   VAL  33           HB       VAL  33   2.090   5.930  -6.336
  234   1HG1  VAL  33          1HG1      VAL  33   1.334   5.669  -8.969
  235   2HG1  VAL  33          2HG1      VAL  33   0.184   4.612  -8.141
  236   3HG1  VAL  33          3HG1      VAL  33   0.304   6.313  -7.685
  237   1HG2  VAL  33          1HG2      VAL  33   2.081   3.009  -6.525
  238   2HG2  VAL  33          2HG2      VAL  33   1.707   4.039  -5.142
  239   3HG2  VAL  33          3HG2      VAL  33   0.460   3.678  -6.337
  240    H    ALA  34           H        ALA  34   4.508   6.717  -6.616
  241    HA   ALA  34           HA       ALA  34   4.051   8.864  -8.416
  242   1HB   ALA  34          1HB       ALA  34   6.341   9.654  -7.584
  243   2HB   ALA  34          2HB       ALA  34   5.109   9.404  -6.339
  244   3HB   ALA  34          3HB       ALA  34   6.369   8.188  -6.601
  245    H    ILE  35           H        ILE  35   6.524   6.417  -8.200
  246    HA   ILE  35           HA       ILE  35   8.119   7.210 -10.391
  247    HB   ILE  35           HB       ILE  35   7.803   4.310  -9.890
  248   1HG1  ILE  35          1HG1      ILE  35   7.419   4.965  -7.659
  249   2HG1  ILE  35          2HG1      ILE  35   9.123   4.536  -7.749
  250   1HG2  ILE  35          1HG2      ILE  35   9.587   5.763 -11.152
  251   2HG2  ILE  35          2HG2      ILE  35  10.253   5.959  -9.533
  252   3HG2  ILE  35          3HG2      ILE  35  10.094   4.346 -10.233
  253   1HD1  ILE  35          1HD1      ILE  35   8.946   7.280  -8.441
  254   2HD1  ILE  35          2HD1      ILE  35   7.951   7.059  -7.000
  255   3HD1  ILE  35          3HD1      ILE  35   9.651   6.588  -6.980
  256    H    VAL  36           H        VAL  36   5.134   5.335 -10.118
  257    HA   VAL  36           HA       VAL  36   5.314   4.584 -12.927
  258    HB   VAL  36           HB       VAL  36   2.753   4.494 -11.383
  259   1HG1  VAL  36          1HG1      VAL  36   3.998   3.323 -13.791
  260   2HG1  VAL  36          2HG1      VAL  36   3.188   2.133 -12.764
  261   3HG1  VAL  36          3HG1      VAL  36   2.289   3.516 -13.389
  262   1HG2  VAL  36          1HG2      VAL  36   5.172   3.491 -10.364
  263   2HG2  VAL  36          2HG2      VAL  36   3.552   2.990  -9.881
  264   3HG2  VAL  36          3HG2      VAL  36   4.410   2.098 -11.135
  265    H    ALA  37           H        ALA  37   4.284   7.230 -11.095
  266    HA   ALA  37           HA       ALA  37   2.524   8.315 -13.088
  267   1HB   ALA  37          1HB       ALA  37   3.937   9.730 -10.815
  268   2HB   ALA  37          2HB       ALA  37   2.339   8.991 -10.688
  269   3HB   ALA  37          3HB       ALA  37   2.593  10.371 -11.760
  270    H    HIS  38           H        HIS  38   5.877   8.155 -12.301
  271    HA   HIS  38           HA       HIS  38   6.562  10.096 -14.434
  272   1HB   HIS  38          1HB       HIS  38   8.749  10.198 -13.388
  273   2HB   HIS  38          2HB       HIS  38   8.316   8.906 -12.282
  274    HD1  HIS  38           HD1      HIS  38   8.665  10.504 -10.236
  275    HD2  HIS  38           HD2      HIS  38   5.650  11.708 -12.852
  276    HE1  HIS  38           HE1      HIS  38   7.331  12.284  -9.022
  277    H    LEU  39           H        LEU  39   5.899   7.015 -14.492
  278    HA   LEU  39           HA       LEU  39   8.360   5.847 -15.416
  279   1HB   LEU  39          1HB       LEU  39   6.876   3.917 -16.087
  280   2HB   LEU  39          2HB       LEU  39   6.803   4.356 -14.391
  281    HG   LEU  39           HG       LEU  39   4.593   4.852 -14.520
  282   1HD1  LEU  39          1HD1      LEU  39   5.262   6.866 -16.217
  283   2HD1  LEU  39          2HD1      LEU  39   4.366   5.832 -17.310
  284   3HD1  LEU  39          3HD1      LEU  39   3.599   6.439 -15.860
  285   1HD2  LEU  39          1HD2      LEU  39   5.242   2.873 -16.363
  286   2HD2  LEU  39          2HD2      LEU  39   3.667   3.147 -15.617
  287   3HD2  LEU  39          3HD2      LEU  39   4.043   3.879 -17.176
  288    H    ALA  40           H        ALA  40   5.920   4.876 -17.503
  289    HA   ALA  40           HA       ALA  40   7.217   5.450 -19.856
  290   1HB   ALA  40          1HB       ALA  40   5.081   4.063 -19.439
  291   2HB   ALA  40          2HB       ALA  40   4.243   5.580 -19.764
  292   3HB   ALA  40          3HB       ALA  40   5.271   4.857 -21.003
  293    H    VAL  41           H        VAL  41   6.009   7.767 -17.878
  294    HA   VAL  41           HA       VAL  41   5.288   9.675 -19.932
  295    HB   VAL  41           HB       VAL  41   5.821  10.462 -17.102
  296   1HG1  VAL  41          1HG1      VAL  41   3.701  10.982 -19.190
  297   2HG1  VAL  41          2HG1      VAL  41   3.546  11.540 -17.523
  298   3HG1  VAL  41          3HG1      VAL  41   4.874  12.122 -18.530
  299   1HG2  VAL  41          1HG2      VAL  41   4.225   8.132 -17.864
  300   2HG2  VAL  41          2HG2      VAL  41   4.610   8.743 -16.247
  301   3HG2  VAL  41          3HG2      VAL  41   3.213   9.381 -17.113
  302    H    TYR  42           H        TYR  42   7.910   9.216 -17.581
  303    HA   TYR  42           HA       TYR  42   9.475  11.426 -18.623
  304   1HB   TYR  42          1HB       TYR  42  10.024   9.189 -16.667
  305   2HB   TYR  42          2HB       TYR  42  11.287  10.322 -17.164
  306    HD1  TYR  42           HD1      TYR  42   7.818  10.183 -15.799
  307    HD2  TYR  42           HD2      TYR  42  11.464  12.430 -16.131
  308    HE1  TYR  42           HE1      TYR  42   6.926  11.881 -14.212
  309    HE2  TYR  42           HE2      TYR  42  10.576  14.116 -14.542
  310    HH   TYR  42           HH       TYR  42   8.734  14.837 -13.471
  311    H    ILE  43           H        ILE  43   9.442   7.905 -18.956
  312    HA   ILE  43           HA       ILE  43  11.839   7.715 -20.539
  313    HB   ILE  43           HB       ILE  43   9.439   5.912 -20.170
  314   1HG1  ILE  43          1HG1      ILE  43  12.290   5.295 -19.457
  315   2HG1  ILE  43          2HG1      ILE  43  11.357   6.373 -18.419
  316   1HG2  ILE  43          1HG2      ILE  43  11.652   5.772 -22.145
  317   2HG2  ILE  43          2HG2      ILE  43  11.302   4.282 -21.268
  318   3HG2  ILE  43          3HG2      ILE  43  10.036   5.068 -22.210
  319   1HD1  ILE  43          1HD1      ILE  43   9.598   4.645 -18.215
  320   2HD1  ILE  43          2HD1      ILE  43  10.553   3.563 -19.229
  321   3HD1  ILE  43          3HD1      ILE  43  11.155   4.046 -17.643
  322    H    TRP  44           H        TRP  44   8.856   9.106 -21.250
  323    HA   TRP  44           HA       TRP  44   9.270   8.636 -24.175
  324   1HB   TRP  44          1HB       TRP  44   6.782   9.043 -22.533
  325   2HB   TRP  44          2HB       TRP  44   6.788   9.464 -24.245
  326    HD1  TRP  44           HD1      TRP  44   7.795   6.438 -22.045
  327    HE1  TRP  44           HE1      TRP  44   7.204   4.285 -23.334
  328    HE3  TRP  44           HE3      TRP  44   6.022   8.465 -26.384
  329    HZ2  TRP  44           HZ2      TRP  44   6.122   3.523 -25.871
  330    HZ3  TRP  44           HZ3      TRP  44   5.218   7.006 -28.218
  331    HH2  TRP  44           HH2      TRP  44   5.265   4.539 -27.967
  332    H    ARG  45           H        ARG  45  10.192  10.775 -22.060
  333    HA   ARG  45           HA       ARG  45   9.091  13.287 -22.721
  334   1HB   ARG  45          1HB       ARG  45  11.459  12.296 -21.416
  335   2HB   ARG  45          2HB       ARG  45  11.903  13.629 -22.482
  336   1HG   ARG  45          1HG       ARG  45  10.013  14.959 -21.465
  337   2HG   ARG  45          2HG       ARG  45  11.313  14.574 -20.337
  338   1HD   ARG  45          1HD       ARG  45   8.516  13.819 -20.230
  339   2HD   ARG  45          2HD       ARG  45   9.545  12.387 -20.220
  340    HE   ARG  45           HE       ARG  45  10.306  13.015 -18.073
  341   1HH1  ARG  45          1HH1      ARG  45   7.816  15.045 -19.011
  342   2HH1  ARG  45          2HH1      ARG  45   8.228  16.343 -17.942
  343   1HH2  ARG  45          1HH2      ARG  45  11.244  14.941 -16.969
  344   2HH2  ARG  45          2HH2      ARG  45  10.166  16.285 -16.787
  345   1HB   PRO  46          1HB       PRO  46  11.671  16.691 -26.543
  346   2HB   PRO  46          2HB       PRO  46   9.924  16.397 -26.500
  347   1HG   PRO  46          1HG       PRO  46  10.040  17.371 -24.406
  348   2HG   PRO  46          2HG       PRO  46  11.775  17.047 -24.251
  349   1HD   PRO  46          1HD       PRO  46  11.192  15.291 -22.888
  350   2HD   PRO  46          2HD       PRO  46   9.482  15.407 -23.355
  351    H    TRP  47           H        TRP  47  12.210  12.726 -27.240
  352    HA   TRP  47           HA       TRP  47  14.958  13.806 -27.050
  353   1HB   TRP  47          1HB       TRP  47  15.866  11.892 -25.934
  354   2HB   TRP  47          2HB       TRP  47  14.473  12.394 -24.976
  355    HD1  TRP  47           HD1      TRP  47  12.299  10.858 -25.040
  356    HE1  TRP  47           HE1      TRP  47  11.937   8.415 -25.770
  357    HE3  TRP  47           HE3      TRP  47  16.637  10.049 -27.616
  358    HZ2  TRP  47           HZ2      TRP  47  13.302   6.384 -27.248
  359    HZ3  TRP  47           HZ3      TRP  47  17.079   7.851 -28.674
  360    HH2  TRP  47           HH2      TRP  47  15.419   6.019 -28.492
  361    H    PHE  48           H        PHE  48  12.745  12.885 -29.026
  362    HA   PHE  48           HA       PHE  48  13.836  10.627 -30.442
  363   1HB   PHE  48          1HB       PHE  48  12.137  11.018 -32.017
  364   2HB   PHE  48          2HB       PHE  48  11.453  11.674 -30.530
  365    HD1  PHE  48           HD1      PHE  48  11.915  14.213 -30.067
  366    HD2  PHE  48           HD2      PHE  48  12.250  12.366 -33.930
  367    HE1  PHE  48           HE1      PHE  48  11.694  16.434 -31.148
  368    HE2  PHE  48           HE2      PHE  48  12.027  14.587 -35.011
  369    HZ   PHE  48           HZ       PHE  48  11.750  16.621 -33.620

  No H/Q in entry =         369
  Start of MODEL    4
    1    H1   ALA   1           H1       ALA   1 -21.713   4.801  32.476
    2    H2   ALA   1           H2       ALA   1 -22.771   5.677  33.477
    3    H3   ALA   1           H3       ALA   1 -23.098   4.051  33.103
    4    HA   ALA   1           HA       ALA   1 -24.271   4.662  31.348
    5   1HB   ALA   1          1HB       ALA   1 -23.585   7.226  32.626
    6   2HB   ALA   1          2HB       ALA   1 -24.002   7.363  30.918
    7   3HB   ALA   1          3HB       ALA   1 -25.145   6.638  32.050
    8    H    ASP   2           H        ASP   2 -23.473   3.941  29.432
    9    HA   ASP   2           HA       ASP   2 -21.746   5.643  27.833
   10   1HB   ASP   2          1HB       ASP   2 -19.963   4.715  29.130
   11   2HB   ASP   2          2HB       ASP   2 -20.652   3.093  29.035
   12    H    LYS   3           H        LYS   3 -21.469   2.201  27.468
   13    HA   LYS   3           HA       LYS   3 -22.511   0.701  25.981
   14   1HB   LYS   3          1HB       LYS   3 -24.546   2.609  26.590
   15   2HB   LYS   3          2HB       LYS   3 -24.596   2.296  24.856
   16   1HG   LYS   3          1HG       LYS   3 -24.773  -0.091  25.228
   17   2HG   LYS   3          2HG       LYS   3 -24.521   0.118  26.963
   18   1HD   LYS   3          1HD       LYS   3 -26.615   1.334  27.173
   19   2HD   LYS   3          2HD       LYS   3 -26.848   1.305  25.425
   20   1HE   LYS   3          1HE       LYS   3 -26.393  -1.377  26.343
   21   2HE   LYS   3          2HE       LYS   3 -27.670  -0.649  27.319
   22   1HZ   LYS   3          1HZ       LYS   3 -27.652  -0.420  24.372
   23   2HZ   LYS   3          2HZ       LYS   3 -28.341  -1.763  25.152
   24   3HZ   LYS   3          3HZ       LYS   3 -28.953  -0.208  25.444
   25    H    SER   4           H        SER   4 -21.085   3.593  25.244
   26    HA   SER   4           HA       SER   4 -21.322   3.145  22.301
   27   1HB   SER   4          1HB       SER   4 -21.921   5.396  22.800
   28   2HB   SER   4          2HB       SER   4 -20.594   5.576  23.944
   29    HG   SER   4           HG       SER   4 -20.574   5.548  21.136
   30    H    ASP   5           H        ASP   5 -19.210   2.885  24.992
   31    HA   ASP   5           HA       ASP   5 -16.787   2.910  23.280
   32   1HB   ASP   5          1HB       ASP   5 -15.530   2.836  25.330
   33   2HB   ASP   5          2HB       ASP   5 -16.961   2.386  26.259
   34    H    LEU   6           H        LEU   6 -19.136   0.721  24.250
   35    HA   LEU   6           HA       LEU   6 -17.301  -1.584  24.444
   36   1HB   LEU   6          1HB       LEU   6 -19.266  -2.878  24.975
   37   2HB   LEU   6          2HB       LEU   6 -20.328  -1.573  24.431
   38    HG   LEU   6           HG       LEU   6 -18.814  -0.229  26.184
   39   1HD1  LEU   6          1HD1      LEU   6 -21.431  -1.479  26.185
   40   2HD1  LEU   6          2HD1      LEU   6 -20.776  -1.414  27.821
   41   3HD1  LEU   6          3HD1      LEU   6 -20.944   0.067  26.878
   42   1HD2  LEU   6          1HD2      LEU   6 -17.587  -2.387  26.705
   43   2HD2  LEU   6          2HD2      LEU   6 -18.264  -1.560  28.109
   44   3HD2  LEU   6          3HD2      LEU   6 -19.083  -2.970  27.437
   45    H    GLY   7           H        GLY   7 -19.847  -0.310  22.364
   46   1HA   GLY   7          1HA       GLY   7 -19.634  -2.430  20.391
   47   2HA   GLY   7          2HA       GLY   7 -20.476  -0.895  20.164
   48    H    TYR   8           H        TYR   8 -18.481   0.960  20.480
   49    HA   TYR   8           HA       TYR   8 -17.174   0.945  18.016
   50   1HB   TYR   8          1HB       TYR   8 -17.354   3.060  18.888
   51   2HB   TYR   8          2HB       TYR   8 -16.975   2.528  20.523
   52    HD1  TYR   8           HD1      TYR   8 -15.511   3.199  17.171
   53    HD2  TYR   8           HD2      TYR   8 -14.778   2.565  21.350
   54    HE1  TYR   8           HE1      TYR   8 -13.153   3.921  16.862
   55    HE2  TYR   8           HE2      TYR   8 -12.414   3.283  21.049
   56    HH   TYR   8           HH       TYR   8 -10.967   3.583  18.001
   57    H    THR   9           H        THR   9 -16.348  -0.591  20.996
   58    HA   THR   9           HA       THR   9 -13.531  -0.730  20.847
   59    HB   THR   9           HB       THR   9 -15.230  -3.107  21.626
   60    HG1  THR   9           HG1      THR   9 -16.107  -1.316  22.622
   61   1HG2  THR   9          1HG2      THR   9 -12.453  -2.207  21.996
   62   2HG2  THR   9          2HG2      THR   9 -13.231  -2.768  23.476
   63   3HG2  THR   9          3HG2      THR   9 -13.130  -3.835  22.075
   64    H    GLY  10           H        GLY  10 -15.616  -3.455  19.854
   65   1HA   GLY  10          1HA       GLY  10 -13.773  -4.775  18.213
   66   2HA   GLY  10          2HA       GLY  10 -15.511  -4.770  17.879
   67    H    LEU  11           H        LEU  11 -15.866  -2.033  17.445
   68    HA   LEU  11           HA       LEU  11 -15.535  -1.622  14.806
   69   1HB   LEU  11          1HB       LEU  11 -16.155  -0.075  17.072
   70   2HB   LEU  11          2HB       LEU  11 -15.012   0.867  16.114
   71    HG   LEU  11           HG       LEU  11 -16.602  -0.285  14.264
   72   1HD1  LEU  11          1HD1      LEU  11 -18.094  -0.884  16.294
   73   2HD1  LEU  11          2HD1      LEU  11 -18.502   0.832  16.313
   74   3HD1  LEU  11          3HD1      LEU  11 -18.878  -0.148  14.897
   75   1HD2  LEU  11          1HD2      LEU  11 -15.869   2.279  15.089
   76   2HD2  LEU  11          2HD2      LEU  11 -16.725   1.878  13.601
   77   3HD2  LEU  11          3HD2      LEU  11 -17.632   2.322  15.046
   78    H    THR  12           H        THR  12 -13.484   0.279  16.905
   79    HA   THR  12           HA       THR  12 -11.464   1.078  15.396
   80    HB   THR  12           HB       THR  12 -10.845  -0.427  17.931
   81    HG1  THR  12           HG1      THR  12 -12.403   1.647  17.410
   82   1HG2  THR  12          1HG2      THR  12  -9.339   1.317  16.127
   83   2HG2  THR  12          2HG2      THR  12  -9.346   1.912  17.787
   84   3HG2  THR  12          3HG2      THR  12  -8.753   0.289  17.434
   85    H    ASP  13           H        ASP  13 -11.908  -2.218  16.205
   86    HA   ASP  13           HA       ASP  13  -9.497  -3.175  15.153
   87   1HB   ASP  13          1HB       ASP  13 -11.249  -4.538  16.430
   88   2HB   ASP  13          2HB       ASP  13 -12.113  -4.649  14.897
   89    H    GLU  14           H        GLU  14 -12.672  -3.082  13.429
   90    HA   GLU  14           HA       GLU  14 -11.077  -3.288  10.972
   91   1HB   GLU  14          1HB       GLU  14 -13.244  -4.510  11.237
   92   2HB   GLU  14          2HB       GLU  14 -13.145  -3.501   9.792
   93   1HG   GLU  14          1HG       GLU  14 -14.107  -1.836  11.864
   94   2HG   GLU  14          2HG       GLU  14 -15.008  -2.431  10.469
   95    H    GLN  15           H        GLN  15 -12.335  -0.732  12.862
   96    HA   GLN  15           HA       GLN  15 -12.638   1.114  10.634
   97   1HB   GLN  15          1HB       GLN  15 -12.216   1.917  13.481
   98   2HB   GLN  15          2HB       GLN  15 -13.124   2.764  12.228
   99   1HG   GLN  15          1HG       GLN  15 -13.924   0.061  13.329
  100   2HG   GLN  15          2HG       GLN  15 -14.539   1.579  13.979
  101   2HE2  GLN  15          2HE2      GLN  15 -15.755  -0.745  12.217
  102   1HE2  GLN  15          1HE2      GLN  15 -16.575   0.105  10.998
  103    H    ALA  16           H        ALA  16 -10.427   0.263  13.131
  104    HA   ALA  16           HA       ALA  16  -8.386   2.168  12.671
  105   1HB   ALA  16          1HB       ALA  16  -8.164   0.572  14.497
  106   2HB   ALA  16          2HB       ALA  16  -8.163  -0.776  13.362
  107   3HB   ALA  16          3HB       ALA  16  -6.799   0.343  13.401
  108    H    GLN  17           H        GLN  17  -9.436  -0.678  10.916
  109    HA   GLN  17           HA       GLN  17  -7.233  -0.475   8.988
  110   1HB   GLN  17          1HB       GLN  17  -9.061  -2.456   9.732
  111   2HB   GLN  17          2HB       GLN  17  -7.854  -2.560   8.460
  112   1HG   GLN  17          1HG       GLN  17 -10.763  -1.779   8.198
  113   2HG   GLN  17          2HG       GLN  17  -9.587  -1.479   6.918
  114   2HE2  GLN  17          2HE2      GLN  17 -10.481  -3.048   5.435
  115   1HE2  GLN  17          1HE2      GLN  17 -10.411  -4.718   5.738
  116    H    GLU  18           H        GLU  18 -10.587   0.519   9.301
  117    HA   GLU  18           HA       GLU  18 -11.033   1.393   6.626
  118   1HB   GLU  18          1HB       GLU  18 -12.597   1.456   8.784
  119   2HB   GLU  18          2HB       GLU  18 -11.945   3.088   8.936
  120   1HG   GLU  18          1HG       GLU  18 -13.071   3.847   7.105
  121   2HG   GLU  18          2HG       GLU  18 -12.828   2.344   6.213
  122    H    LEU  19           H        LEU  19  -9.049   2.476   9.209
  123    HA   LEU  19           HA       LEU  19  -8.346   5.022   7.991
  124   1HB   LEU  19          1HB       LEU  19  -8.625   3.964  10.562
  125   2HB   LEU  19          2HB       LEU  19  -6.884   4.079  10.323
  126    HG   LEU  19           HG       LEU  19  -7.980   6.071  11.303
  127   1HD1  LEU  19          1HD1      LEU  19  -5.851   5.813   9.615
  128   2HD1  LEU  19          2HD1      LEU  19  -6.819   7.007   8.739
  129   3HD1  LEU  19          3HD1      LEU  19  -6.294   7.342  10.389
  130   1HD2  LEU  19          1HD2      LEU  19  -9.959   5.788   9.631
  131   2HD2  LEU  19          2HD2      LEU  19  -9.438   7.421  10.058
  132   3HD2  LEU  19          3HD2      LEU  19  -8.928   6.708   8.527
  133    H    HIS  20           H        HIS  20  -7.110   1.768   8.499
  134    HA   HIS  20           HA       HIS  20  -4.517   2.691   7.514
  135   1HB   HIS  20          1HB       HIS  20  -5.463   0.501   9.295
  136   2HB   HIS  20          2HB       HIS  20  -3.898   0.384   8.497
  137    HD1  HIS  20           HD1      HIS  20  -2.059   2.087   9.214
  138    HD2  HIS  20           HD2      HIS  20  -5.719   2.782  10.999
  139    HE1  HIS  20           HE1      HIS  20  -1.625   3.756  11.061
  140    H    SER  21           H        SER  21  -6.417  -0.348   7.308
  141    HA   SER  21           HA       SER  21  -5.351  -1.557   5.135
  142   1HB   SER  21          1HB       SER  21  -8.284  -1.070   5.564
  143   2HB   SER  21          2HB       SER  21  -7.629  -2.237   4.428
  144    HG   SER  21           HG       SER  21  -6.899  -3.460   6.079
  145    H    VAL  22           H        VAL  22  -7.717   0.982   5.036
  146    HA   VAL  22           HA       VAL  22  -7.737   1.136   2.224
  147    HB   VAL  22           HB       VAL  22  -9.378   2.762   2.561
  148   1HG1  VAL  22          1HG1      VAL  22  -9.365   0.475   4.162
  149   2HG1  VAL  22          2HG1      VAL  22  -9.877   1.777   5.238
  150   3HG1  VAL  22          3HG1      VAL  22 -10.775   1.459   3.753
  151   1HG2  VAL  22          1HG2      VAL  22  -7.930   4.336   3.841
  152   2HG2  VAL  22          2HG2      VAL  22  -9.537   4.185   4.547
  153   3HG2  VAL  22          3HG2      VAL  22  -8.171   3.341   5.278
  154    H    TYR  23           H        TYR  23  -6.305   3.204   4.763
  155    HA   TYR  23           HA       TYR  23  -5.203   5.138   2.964
  156   1HB   TYR  23          1HB       TYR  23  -5.549   5.082   5.622
  157   2HB   TYR  23          2HB       TYR  23  -3.854   4.599   5.563
  158    HD1  TYR  23           HD1      TYR  23  -3.067   6.078   3.049
  159    HD2  TYR  23           HD2      TYR  23  -5.343   7.298   6.479
  160    HE1  TYR  23           HE1      TYR  23  -2.413   8.439   2.645
  161    HE2  TYR  23           HE2      TYR  23  -4.692   9.655   6.080
  162    HH   TYR  23           HH       TYR  23  -3.852  10.936   3.619
  163    H    MET  24           H        MET  24  -3.369   2.832   4.980
  164    HA   MET  24           HA       MET  24  -0.907   2.948   3.816
  165   1HB   MET  24          1HB       MET  24  -1.576   1.381   5.659
  166   2HB   MET  24          2HB       MET  24  -0.543   0.632   4.441
  167   1HG   MET  24          1HG       MET  24  -3.477   0.494   3.964
  168   2HG   MET  24          2HG       MET  24  -2.229  -0.712   3.651
  169   1HE   MET  24          1HE       MET  24  -0.864  -1.612   5.221
  170   2HE   MET  24          2HE       MET  24  -1.059  -1.709   6.969
  171   3HE   MET  24          3HE       MET  24  -1.831  -2.908   5.921
  172    H    SER  25           H        SER  25  -3.787   1.586   2.337
  173    HA   SER  25           HA       SER  25  -2.534   0.133   0.223
  174   1HB   SER  25          1HB       SER  25  -5.009   0.126   0.854
  175   2HB   SER  25          2HB       SER  25  -5.141   1.655  -0.011
  176    HG   SER  25           HG       SER  25  -3.919   0.243  -1.698
  177    H    GLY  26           H        GLY  26  -3.908   3.444   0.165
  178   1HA   GLY  26          1HA       GLY  26  -2.759   4.089  -2.395
  179   2HA   GLY  26          2HA       GLY  26  -3.400   5.255  -1.239
  180    H    LEU  27           H        LEU  27  -1.494   3.916   0.766
  181    HA   LEU  27           HA       LEU  27   0.572   5.861   0.667
  182   1HB   LEU  27          1HB       LEU  27  -0.174   3.543   2.251
  183   2HB   LEU  27          2HB       LEU  27   1.577   3.701   2.110
  184    HG   LEU  27           HG       LEU  27   1.005   6.261   2.621
  185   1HD1  LEU  27          1HD1      LEU  27  -1.445   4.766   3.242
  186   2HD1  LEU  27          2HD1      LEU  27  -0.847   5.712   4.606
  187   3HD1  LEU  27          3HD1      LEU  27  -1.199   6.505   3.072
  188   1HD2  LEU  27          1HD2      LEU  27   2.458   4.686   3.941
  189   2HD2  LEU  27          2HD2      LEU  27   1.556   5.820   4.946
  190   3HD2  LEU  27          3HD2      LEU  27   1.013   4.149   4.799
  191    H    TRP  28           H        TRP  28   1.086   2.337   0.336
  192    HA   TRP  28           HA       TRP  28   3.548   2.739  -1.098
  193   1HB   TRP  28          1HB       TRP  28   2.739   0.741   0.419
  194   2HB   TRP  28          2HB       TRP  28   2.121   0.113  -1.111
  195    HD1  TRP  28           HD1      TRP  28   5.284   2.153  -0.605
  196    HE1  TRP  28           HE1      TRP  28   7.322   0.768  -1.391
  197    HE3  TRP  28           HE3      TRP  28   2.968  -2.256  -1.658
  198    HZ2  TRP  28           HZ2      TRP  28   7.877  -1.878  -2.341
  199    HZ3  TRP  28           HZ3      TRP  28   4.263  -4.195  -2.499
  200    HH2  TRP  28           HH2      TRP  28   6.712  -4.012  -2.841
  201    H    LEU  29           H        LEU  29   0.512   3.212  -2.154
  202    HA   LEU  29           HA       LEU  29   0.886   1.930  -4.778
  203   1HB   LEU  29          1HB       LEU  29  -1.316   1.618  -4.094
  204   2HB   LEU  29          2HB       LEU  29  -1.380   3.164  -3.253
  205    HG   LEU  29           HG       LEU  29  -1.281   4.279  -5.514
  206   1HD1  LEU  29          1HD1      LEU  29  -0.434   1.989  -6.500
  207   2HD1  LEU  29          2HD1      LEU  29  -2.159   1.643  -6.644
  208   3HD1  LEU  29          3HD1      LEU  29  -1.465   3.035  -7.478
  209   1HD2  LEU  29          1HD2      LEU  29  -3.371   3.457  -4.051
  210   2HD2  LEU  29          2HD2      LEU  29  -3.578   4.281  -5.598
  211   3HD2  LEU  29          3HD2      LEU  29  -3.684   2.522  -5.513
  212    H    PHE  30           H        PHE  30  -0.264   5.175  -3.760
  213    HA   PHE  30           HA       PHE  30   0.467   6.452  -6.113
  214   1HB   PHE  30          1HB       PHE  30  -0.133   7.339  -3.353
  215   2HB   PHE  30          2HB       PHE  30   0.703   8.496  -4.390
  216    HD1  PHE  30           HD1      PHE  30  -2.308   6.315  -4.158
  217    HD2  PHE  30           HD2      PHE  30  -0.439   9.638  -6.135
  218    HE1  PHE  30           HE1      PHE  30  -4.446   6.838  -5.299
  219    HE2  PHE  30           HE2      PHE  30  -2.577  10.162  -7.277
  220    HZ   PHE  30           HZ       PHE  30  -4.582   8.761  -6.859
  221    H    SER  31           H        SER  31   2.406   5.295  -3.616
  222    HA   SER  31           HA       SER  31   4.680   7.076  -4.128
  223   1HB   SER  31          1HB       SER  31   4.744   6.342  -1.921
  224   2HB   SER  31          2HB       SER  31   4.146   4.737  -2.330
  225    HG   SER  31           HG       SER  31   6.731   5.823  -2.595
  226    H    ALA  32           H        ALA  32   3.983   3.601  -4.617
  227    HA   ALA  32           HA       ALA  32   6.360   3.166  -6.215
  228   1HB   ALA  32          1HB       ALA  32   3.798   1.537  -6.162
  229   2HB   ALA  32          2HB       ALA  32   5.110   1.351  -4.996
  230   3HB   ALA  32          3HB       ALA  32   5.386   0.987  -6.701
  231    H    VAL  33           H        VAL  33   2.901   3.205  -7.202
  232    HA   VAL  33           HA       VAL  33   3.283   3.274  -9.961
  233    HB   VAL  33           HB       VAL  33   1.424   5.105  -8.549
  234   1HG1  VAL  33          1HG1      VAL  33   1.402   3.597 -11.154
  235   2HG1  VAL  33          2HG1      VAL  33  -0.093   4.225 -10.461
  236   3HG1  VAL  33          3HG1      VAL  33   1.211   5.330 -10.892
  237   1HG2  VAL  33          1HG2      VAL  33   1.609   2.233  -8.248
  238   2HG2  VAL  33          2HG2      VAL  33   0.558   3.369  -7.401
  239   3HG2  VAL  33          3HG2      VAL  33   0.055   2.686  -8.949
  240    H    ALA  34           H        ALA  34   3.427   5.977  -7.617
  241    HA   ALA  34           HA       ALA  34   3.829   8.072  -9.473
  242   1HB   ALA  34          1HB       ALA  34   4.870   7.643  -6.673
  243   2HB   ALA  34          2HB       ALA  34   3.599   8.747  -7.211
  244   3HB   ALA  34          3HB       ALA  34   5.287   9.082  -7.608
  245    H    ILE  35           H        ILE  35   6.171   5.883  -7.929
  246    HA   ILE  35           HA       ILE  35   8.587   6.710  -8.792
  247    HB   ILE  35           HB       ILE  35   7.517   4.442  -7.749
  248   1HG1  ILE  35          1HG1      ILE  35  10.106   4.055  -9.033
  249   2HG1  ILE  35          2HG1      ILE  35   9.927   5.548  -8.101
  250   1HG2  ILE  35          1HG2      ILE  35   8.472   3.733 -10.525
  251   2HG2  ILE  35          2HG2      ILE  35   8.065   2.573  -9.255
  252   3HG2  ILE  35          3HG2      ILE  35   6.819   3.606  -9.948
  253   1HD1  ILE  35          1HD1      ILE  35   8.962   4.078  -6.230
  254   2HD1  ILE  35          2HD1      ILE  35   9.620   2.707  -7.126
  255   3HD1  ILE  35          3HD1      ILE  35  10.701   3.956  -6.506
  256    H    VAL  36           H        VAL  36   6.075   5.093 -10.613
  257    HA   VAL  36           HA       VAL  36   7.689   5.175 -13.072
  258    HB   VAL  36           HB       VAL  36   4.783   4.412 -12.801
  259   1HG1  VAL  36          1HG1      VAL  36   6.790   4.374 -14.902
  260   2HG1  VAL  36          2HG1      VAL  36   6.207   2.744 -14.564
  261   3HG1  VAL  36          3HG1      VAL  36   5.067   4.014 -15.008
  262   1HG2  VAL  36          1HG2      VAL  36   7.289   3.135 -11.825
  263   2HG2  VAL  36          2HG2      VAL  36   5.633   2.968 -11.234
  264   3HG2  VAL  36          3HG2      VAL  36   6.150   2.068 -12.661
  265    H    ALA  37           H        ALA  37   4.973   6.866 -11.658
  266    HA   ALA  37           HA       ALA  37   4.117   8.394 -13.800
  267   1HB   ALA  37          1HB       ALA  37   4.531   9.511 -11.020
  268   2HB   ALA  37          2HB       ALA  37   3.200   8.420 -11.413
  269   3HB   ALA  37          3HB       ALA  37   3.315   9.995 -12.201
  270    H    HIS  38           H        HIS  38   7.084   8.408 -12.000
  271    HA   HIS  38           HA       HIS  38   7.948  10.996 -13.095
  272   1HB   HIS  38          1HB       HIS  38   9.779  10.838 -11.674
  273   2HB   HIS  38          2HB       HIS  38   9.841   9.079 -11.789
  274    HD1  HIS  38           HD1      HIS  38   9.403   8.222  -9.488
  275    HD2  HIS  38           HD2      HIS  38   6.819  11.338 -10.486
  276    HE1  HIS  38           HE1      HIS  38   7.780   8.453  -7.557
  277    H    LEU  39           H        LEU  39   9.182   7.640 -13.284
  278    HA   LEU  39           HA       LEU  39  10.878   8.188 -15.537
  279   1HB   LEU  39          1HB       LEU  39  11.213   5.807 -15.650
  280   2HB   LEU  39          2HB       LEU  39   9.718   5.500 -14.766
  281    HG   LEU  39           HG       LEU  39  10.712   6.719 -12.803
  282   1HD1  LEU  39          1HD1      LEU  39  11.963   4.232 -13.951
  283   2HD1  LEU  39          2HD1      LEU  39  12.509   4.872 -12.401
  284   3HD1  LEU  39          3HD1      LEU  39  10.828   4.381 -12.610
  285   1HD2  LEU  39          1HD2      LEU  39  12.365   8.015 -14.181
  286   2HD2  LEU  39          2HD2      LEU  39  13.099   7.195 -12.803
  287   3HD2  LEU  39          3HD2      LEU  39  13.269   6.521 -14.424
  288    H    ALA  40           H        ALA  40   7.937   6.173 -15.413
  289    HA   ALA  40           HA       ALA  40   7.361   5.690 -18.009
  290   1HB   ALA  40          1HB       ALA  40   5.847   5.784 -15.692
  291   2HB   ALA  40          2HB       ALA  40   5.278   5.235 -17.269
  292   3HB   ALA  40          3HB       ALA  40   5.011   6.905 -16.765
  293    H    VAL  41           H        VAL  41   6.625   8.851 -16.480
  294    HA   VAL  41           HA       VAL  41   5.457  10.140 -18.662
  295    HB   VAL  41           HB       VAL  41   7.346  11.211 -16.558
  296   1HG1  VAL  41          1HG1      VAL  41   6.195  12.501 -18.959
  297   2HG1  VAL  41          2HG1      VAL  41   5.945  13.380 -17.451
  298   3HG1  VAL  41          3HG1      VAL  41   7.580  12.981 -17.978
  299   1HG2  VAL  41          1HG2      VAL  41   4.968  10.273 -16.077
  300   2HG2  VAL  41          2HG2      VAL  41   5.378  11.863 -15.430
  301   3HG2  VAL  41          3HG2      VAL  41   4.394  11.732 -16.887
  302    H    TYR  42           H        TYR  42   8.970  10.070 -17.943
  303    HA   TYR  42           HA       TYR  42   9.742  11.378 -20.361
  304   1HB   TYR  42          1HB       TYR  42  11.217   9.480 -18.517
  305   2HB   TYR  42          2HB       TYR  42  11.985  10.255 -19.904
  306    HD1  TYR  42           HD1      TYR  42  10.077  10.992 -16.769
  307    HD2  TYR  42           HD2      TYR  42  12.794  12.466 -19.755
  308    HE1  TYR  42           HE1      TYR  42  10.429  13.052 -15.435
  309    HE2  TYR  42           HE2      TYR  42  13.146  14.524 -18.419
  310    HH   TYR  42           HH       TYR  42  12.889  15.391 -16.278
  311    H    ILE  43           H        ILE  43   9.468   7.927 -19.517
  312    HA   ILE  43           HA       ILE  43  10.244   6.986 -22.139
  313    HB   ILE  43           HB       ILE  43   8.852   5.732 -19.769
  314   1HG1  ILE  43          1HG1      ILE  43  11.445   4.990 -21.140
  315   2HG1  ILE  43          2HG1      ILE  43  11.366   6.201 -19.861
  316   1HG2  ILE  43          1HG2      ILE  43   9.084   4.725 -22.569
  317   2HG2  ILE  43          2HG2      ILE  43   9.394   3.578 -21.266
  318   3HG2  ILE  43          3HG2      ILE  43   7.839   4.407 -21.360
  319   1HD1  ILE  43          1HD1      ILE  43  10.014   4.276 -18.611
  320   2HD1  ILE  43          2HD1      ILE  43  10.939   3.246 -19.703
  321   3HD1  ILE  43          3HD1      ILE  43  11.776   4.319 -18.582
  322    H    TRP  44           H        TRP  44   7.523   8.636 -21.110
  323    HA   TRP  44           HA       TRP  44   5.808   7.374 -23.203
  324   1HB   TRP  44          1HB       TRP  44   5.263   8.503 -20.533
  325   2HB   TRP  44          2HB       TRP  44   4.143   9.037 -21.784
  326    HD1  TRP  44           HD1      TRP  44   5.522   5.806 -20.213
  327    HE1  TRP  44           HE1      TRP  44   3.785   3.932 -20.556
  328    HE3  TRP  44           HE3      TRP  44   2.120   8.277 -23.111
  329    HZ2  TRP  44           HZ2      TRP  44   1.282   3.535 -21.884
  330    HZ3  TRP  44           HZ3      TRP  44   0.071   7.130 -23.900
  331    HH2  TRP  44           HH2      TRP  44  -0.353   4.764 -23.290
  332    H    ARG  45           H        ARG  45   7.968   9.638 -23.201
  333    HA   ARG  45           HA       ARG  45   6.822  12.131 -23.761
  334   1HB   ARG  45          1HB       ARG  45   9.332  10.826 -24.226
  335   2HB   ARG  45          2HB       ARG  45   8.865  11.671 -25.703
  336   1HG   ARG  45          1HG       ARG  45   9.891  13.413 -24.583
  337   2HG   ARG  45          2HG       ARG  45   8.251  13.600 -23.959
  338   1HD   ARG  45          1HD       ARG  45   8.965  12.006 -22.072
  339   2HD   ARG  45          2HD       ARG  45  10.619  12.289 -22.616
  340    HE   ARG  45           HE       ARG  45  10.386  14.619 -21.958
  341   1HH1  ARG  45          1HH1      ARG  45   7.269  13.362 -22.067
  342   2HH1  ARG  45          2HH1      ARG  45   6.730  14.108 -20.599
  343   1HH2  ARG  45          1HH2      ARG  45   9.878  15.261 -19.717
  344   2HH2  ARG  45          2HH2      ARG  45   8.207  15.181 -19.268
  345   1HB   PRO  46          1HB       PRO  46   5.731  13.775 -29.157
  346   2HB   PRO  46          2HB       PRO  46   4.634  14.047 -27.792
  347   1HG   PRO  46          1HG       PRO  46   6.363  15.330 -26.951
  348   2HG   PRO  46          2HG       PRO  46   7.573  14.527 -27.964
  349   1HD   PRO  46          1HD       PRO  46   8.166  13.341 -26.090
  350   2HD   PRO  46          2HD       PRO  46   6.724  13.882 -25.207
  351    H    TRP  47           H        TRP  47   5.040  10.021 -28.903
  352    HA   TRP  47           HA       TRP  47   7.309  10.089 -30.809
  353   1HB   TRP  47          1HB       TRP  47   6.711   7.624 -29.152
  354   2HB   TRP  47          2HB       TRP  47   8.064   7.874 -30.255
  355    HD1  TRP  47           HD1      TRP  47   7.231   8.051 -26.700
  356    HE1  TRP  47           HE1      TRP  47   9.006   9.393 -25.397
  357    HE3  TRP  47           HE3      TRP  47   9.709  10.254 -30.588
  358    HZ2  TRP  47           HZ2      TRP  47  11.188  11.165 -25.931
  359    HZ3  TRP  47           HZ3      TRP  47  11.629  11.762 -30.162
  360    HH2  TRP  47           HH2      TRP  47  12.370  12.220 -27.841
  361    H    PHE  48           H        PHE  48   4.476   8.243 -29.665
  362    HA   PHE  48           HA       PHE  48   2.915   6.979 -30.899
  363   1HB   PHE  48          1HB       PHE  48   2.896   9.713 -31.634
  364   2HB   PHE  48          2HB       PHE  48   2.694   8.794 -33.127
  365    HD1  PHE  48           HD1      PHE  48   1.419   9.042 -29.618
  366    HD2  PHE  48           HD2      PHE  48   0.609   7.837 -33.661
  367    HE1  PHE  48           HE1      PHE  48  -0.937   8.565 -29.004
  368    HE2  PHE  48           HE2      PHE  48  -1.746   7.360 -33.048
  369    HZ   PHE  48           HZ       PHE  48  -2.519   7.725 -30.719

  No H/Q in entry =         369
  Start of MODEL    5
    1    H1   ALA   1           H1       ALA   1 -36.850  10.983  -6.206
    2    H2   ALA   1           H2       ALA   1 -37.440  10.505  -7.726
    3    H3   ALA   1           H3       ALA   1 -38.524  10.838  -6.464
    4    HA   ALA   1           HA       ALA   1 -38.459   8.747  -5.790
    5   1HB   ALA   1          1HB       ALA   1 -38.042   8.378  -8.258
    6   2HB   ALA   1          2HB       ALA   1 -36.320   8.282  -7.885
    7   3HB   ALA   1          3HB       ALA   1 -37.435   7.091  -7.216
    8    H    ASP   2           H        ASP   2 -37.608   8.493  -3.775
    9    HA   ASP   2           HA       ASP   2 -34.701   8.903  -3.364
   10   1HB   ASP   2          1HB       ASP   2 -36.946   8.374  -1.390
   11   2HB   ASP   2          2HB       ASP   2 -35.270   8.705  -0.954
   12    H    LYS   3           H        LYS   3 -33.316   7.198  -3.194
   13    HA   LYS   3           HA       LYS   3 -33.904   4.704  -1.982
   14   1HB   LYS   3          1HB       LYS   3 -35.422   4.486  -3.968
   15   2HB   LYS   3          2HB       LYS   3 -34.180   3.236  -3.898
   16   1HG   LYS   3          1HG       LYS   3 -33.635   5.780  -5.399
   17   2HG   LYS   3          2HG       LYS   3 -34.619   4.526  -6.154
   18   1HD   LYS   3          1HD       LYS   3 -32.270   3.373  -4.902
   19   2HD   LYS   3          2HD       LYS   3 -31.810   4.632  -6.047
   20   1HE   LYS   3          1HE       LYS   3 -33.842   2.521  -6.770
   21   2HE   LYS   3          2HE       LYS   3 -32.114   2.230  -6.966
   22   1HZ   LYS   3          1HZ       LYS   3 -32.282   4.590  -8.113
   23   2HZ   LYS   3          2HZ       LYS   3 -32.553   3.149  -8.971
   24   3HZ   LYS   3          3HZ       LYS   3 -33.869   4.060  -8.410
   25    H    SER   4           H        SER   4 -32.120   6.392  -4.479
   26    HA   SER   4           HA       SER   4 -29.850   4.669  -4.600
   27   1HB   SER   4          1HB       SER   4 -30.576   7.287  -5.581
   28   2HB   SER   4          2HB       SER   4 -28.927   7.314  -4.964
   29    HG   SER   4           HG       SER   4 -29.473   6.546  -7.261
   30    H    ASP   5           H        ASP   5 -30.969   6.639  -2.058
   31    HA   ASP   5           HA       ASP   5 -28.376   7.285  -0.902
   32   1HB   ASP   5          1HB       ASP   5 -31.030   8.049  -0.431
   33   2HB   ASP   5          2HB       ASP   5 -30.559   7.160   1.017
   34    H    LEU   6           H        LEU   6 -30.807   4.737  -0.386
   35    HA   LEU   6           HA       LEU   6 -29.666   3.487   1.870
   36   1HB   LEU   6          1HB       LEU   6 -30.777   1.455   1.146
   37   2HB   LEU   6          2HB       LEU   6 -30.888   2.064  -0.510
   38    HG   LEU   6           HG       LEU   6 -32.010   4.109   0.807
   39   1HD1  LEU   6          1HD1      LEU   6 -33.090   1.616  -0.424
   40   2HD1  LEU   6          2HD1      LEU   6 -34.235   2.649   0.431
   41   3HD1  LEU   6          3HD1      LEU   6 -33.304   3.294  -0.922
   42   1HD2  LEU   6          1HD2      LEU   6 -31.710   2.797   2.965
   43   2HD2  LEU   6          2HD2      LEU   6 -33.349   3.369   2.655
   44   3HD2  LEU   6          3HD2      LEU   6 -32.934   1.681   2.357
   45    H    GLY   7           H        GLY   7 -28.890   3.256  -1.536
   46   1HA   GLY   7          1HA       GLY   7 -26.820   1.243  -1.209
   47   2HA   GLY   7          2HA       GLY   7 -27.072   2.235  -2.649
   48    H    TYR   8           H        TYR   8 -26.789   4.793  -1.617
   49    HA   TYR   8           HA       TYR   8 -24.034   5.160  -1.572
   50   1HB   TYR   8          1HB       TYR   8 -25.161   7.073  -2.150
   51   2HB   TYR   8          2HB       TYR   8 -26.414   6.812  -0.944
   52    HD1  TYR   8           HD1      TYR   8 -22.787   7.717  -1.293
   53    HD2  TYR   8           HD2      TYR   8 -26.365   7.922   1.079
   54    HE1  TYR   8           HE1      TYR   8 -21.682   9.328   0.241
   55    HE2  TYR   8           HE2      TYR   8 -25.257   9.530   2.618
   56    HH   TYR   8           HH       TYR   8 -23.462  10.882   2.879
   57    H    THR   9           H        THR   9 -26.145   4.149   0.911
   58    HA   THR   9           HA       THR   9 -24.621   5.065   3.177
   59    HB   THR   9           HB       THR   9 -26.208   2.502   3.184
   60    HG1  THR   9           HG1      THR   9 -27.512   3.931   2.117
   61   1HG2  THR   9          1HG2      THR   9 -25.079   4.326   5.123
   62   2HG2  THR   9          2HG2      THR   9 -26.822   4.192   5.348
   63   3HG2  THR   9          3HG2      THR   9 -25.815   2.745   5.384
   64    H    GLY  10           H        GLY  10 -24.703   2.040   1.318
   65   1HA   GLY  10          1HA       GLY  10 -22.424   0.903   2.763
   66   2HA   GLY  10          2HA       GLY  10 -23.184   0.218   1.321
   67    H    LEU  11           H        LEU  11 -22.861   1.854  -0.683
   68    HA   LEU  11           HA       LEU  11 -20.214   1.830  -1.451
   69   1HB   LEU  11          1HB       LEU  11 -21.136   2.610  -3.362
   70   2HB   LEU  11          2HB       LEU  11 -22.660   2.776  -2.502
   71    HG   LEU  11           HG       LEU  11 -21.542   5.030  -1.670
   72   1HD1  LEU  11          1HD1      LEU  11 -19.401   4.562  -2.834
   73   2HD1  LEU  11          2HD1      LEU  11 -20.258   4.508  -4.372
   74   3HD1  LEU  11          3HD1      LEU  11 -20.168   6.019  -3.466
   75   1HD2  LEU  11          1HD2      LEU  11 -23.544   4.386  -3.382
   76   2HD2  LEU  11          2HD2      LEU  11 -23.043   6.050  -3.082
   77   3HD2  LEU  11          3HD2      LEU  11 -22.443   5.191  -4.501
   78    H    THR  12           H        THR  12 -21.900   4.168   0.541
   79    HA   THR  12           HA       THR  12 -20.115   6.240   0.606
   80    HB   THR  12           HB       THR  12 -21.999   5.045   2.534
   81    HG1  THR  12           HG1      THR  12 -21.388   7.358   1.260
   82   1HG2  THR  12          1HG2      THR  12 -19.516   6.456   3.425
   83   2HG2  THR  12          2HG2      THR  12 -21.032   6.893   4.213
   84   3HG2  THR  12          3HG2      THR  12 -20.462   5.225   4.260
   85    H    ASP  13           H        ASP  13 -20.093   3.845   3.045
   86    HA   ASP  13           HA       ASP  13 -17.676   4.038   4.184
   87   1HB   ASP  13          1HB       ASP  13 -19.447   1.826   3.702
   88   2HB   ASP  13          2HB       ASP  13 -17.772   1.278   3.607
   89    H    GLU  14           H        GLU  14 -18.107   2.918   0.875
   90    HA   GLU  14           HA       GLU  14 -15.251   2.318   0.743
   91   1HB   GLU  14          1HB       GLU  14 -17.505   1.658  -0.838
   92   2HB   GLU  14          2HB       GLU  14 -16.399   2.576  -1.861
   93   1HG   GLU  14          1HG       GLU  14 -15.272   0.628  -2.119
   94   2HG   GLU  14          2HG       GLU  14 -14.692   0.909  -0.477
   95    H    GLN  15           H        GLN  15 -17.424   4.845  -0.556
   96    HA   GLN  15           HA       GLN  15 -15.393   6.329  -1.907
   97   1HB   GLN  15          1HB       GLN  15 -16.928   8.161  -1.905
   98   2HB   GLN  15          2HB       GLN  15 -17.793   7.493  -0.521
   99   1HG   GLN  15          1HG       GLN  15 -17.816   5.444  -2.398
  100   2HG   GLN  15          2HG       GLN  15 -19.166   6.500  -1.983
  101   2HE2  GLN  15          2HE2      GLN  15 -19.080   8.730  -3.222
  102   1HE2  GLN  15          1HE2      GLN  15 -18.624   8.656  -4.856
  103    H    ALA  16           H        ALA  16 -16.696   6.420   1.269
  104    HA   ALA  16           HA       ALA  16 -15.300   8.555   2.408
  105   1HB   ALA  16          1HB       ALA  16 -16.473   7.752   4.172
  106   2HB   ALA  16          2HB       ALA  16 -16.805   6.268   3.270
  107   3HB   ALA  16          3HB       ALA  16 -15.350   6.393   4.268
  108    H    GLN  17           H        GLN  17 -14.350   5.334   1.462
  109    HA   GLN  17           HA       GLN  17 -11.663   5.622   2.658
  110   1HB   GLN  17          1HB       GLN  17 -12.977   3.457   1.018
  111   2HB   GLN  17          2HB       GLN  17 -11.275   3.413   1.476
  112   1HG   GLN  17          1HG       GLN  17 -12.095   3.795   3.884
  113   2HG   GLN  17          2HG       GLN  17 -13.692   3.363   3.276
  114   2HE2  GLN  17          2HE2      GLN  17 -13.540   1.213   1.795
  115   1HE2  GLN  17          1HE2      GLN  17 -12.641  -0.049   2.488
  116    H    GLU  18           H        GLU  18 -13.273   6.071  -0.398
  117    HA   GLU  18           HA       GLU  18 -11.160   5.943  -2.235
  118   1HB   GLU  18          1HB       GLU  18 -13.685   6.662  -2.539
  119   2HB   GLU  18          2HB       GLU  18 -13.043   8.288  -2.307
  120   1HG   GLU  18          1HG       GLU  18 -11.292   7.637  -4.096
  121   2HG   GLU  18          2HG       GLU  18 -12.935   7.968  -4.646
  122    H    LEU  19           H        LEU  19 -11.714   8.056   0.422
  123    HA   LEU  19           HA       LEU  19  -9.431   9.770  -0.410
  124   1HB   LEU  19          1HB       LEU  19 -10.306  11.452   1.027
  125   2HB   LEU  19          2HB       LEU  19 -11.692  10.834   0.136
  126    HG   LEU  19           HG       LEU  19 -11.591   9.157   2.315
  127   1HD1  LEU  19          1HD1      LEU  19 -10.062  11.506   2.949
  128   2HD1  LEU  19          2HD1      LEU  19 -11.545  11.519   3.905
  129   3HD1  LEU  19          3HD1      LEU  19 -10.453  10.137   3.991
  130   1HD2  LEU  19          1HD2      LEU  19 -13.110  11.715   1.774
  131   2HD2  LEU  19          2HD2      LEU  19 -13.659  10.054   1.543
  132   3HD2  LEU  19          3HD2      LEU  19 -13.466  10.701   3.172
  133    H    HIS  20           H        HIS  20 -10.677   7.565   1.970
  134    HA   HIS  20           HA       HIS  20  -8.479   8.063   3.834
  135   1HB   HIS  20          1HB       HIS  20 -11.089   6.894   3.965
  136   2HB   HIS  20          2HB       HIS  20  -9.886   5.752   4.560
  137    HD1  HIS  20           HD1      HIS  20  -8.542   6.405   6.679
  138    HD2  HIS  20           HD2      HIS  20 -11.265   9.302   5.442
  139    HE1  HIS  20           HE1      HIS  20  -8.705   8.083   8.574
  140    H    SER  21           H        SER  21  -9.754   4.878   2.911
  141    HA   SER  21           HA       SER  21  -7.622   3.299   3.249
  142   1HB   SER  21          1HB       SER  21  -9.315   3.277   0.762
  143   2HB   SER  21          2HB       SER  21  -8.217   1.984   1.213
  144    HG   SER  21           HG       SER  21 -10.264   1.486   1.983
  145    H    VAL  22           H        VAL  22  -8.182   4.488   0.056
  146    HA   VAL  22           HA       VAL  22  -5.813   4.089  -1.147
  147    HB   VAL  22           HB       VAL  22  -7.402   5.132  -2.493
  148   1HG1  VAL  22          1HG1      VAL  22  -8.154   6.340   0.003
  149   2HG1  VAL  22          2HG1      VAL  22  -8.025   7.606  -1.219
  150   3HG1  VAL  22          3HG1      VAL  22  -9.093   6.226  -1.487
  151   1HG2  VAL  22          1HG2      VAL  22  -5.598   7.417  -1.637
  152   2HG2  VAL  22          2HG2      VAL  22  -5.266   6.259  -2.925
  153   3HG2  VAL  22          3HG2      VAL  22  -6.592   7.410  -3.094
  154    H    TYR  23           H        TYR  23  -6.628   6.875   0.878
  155    HA   TYR  23           HA       TYR  23  -4.262   8.333   0.908
  156   1HB   TYR  23          1HB       TYR  23  -6.560   8.378   2.376
  157   2HB   TYR  23          2HB       TYR  23  -5.402   7.849   3.586
  158    HD1  TYR  23           HD1      TYR  23  -2.928   9.176   2.669
  159    HD2  TYR  23           HD2      TYR  23  -6.963  10.641   2.904
  160    HE1  TYR  23           HE1      TYR  23  -2.079  11.505   2.885
  161    HE2  TYR  23           HE2      TYR  23  -6.124  12.957   3.119
  162    HH   TYR  23           HH       TYR  23  -2.770  13.650   3.662
  163    H    MET  24           H        MET  24  -5.065   5.783   3.296
  164    HA   MET  24           HA       MET  24  -2.308   5.668   4.198
  165   1HB   MET  24          1HB       MET  24  -4.866   4.661   5.051
  166   2HB   MET  24          2HB       MET  24  -3.693   3.340   5.038
  167   1HG   MET  24          1HG       MET  24  -2.179   5.295   6.145
  168   2HG   MET  24          2HG       MET  24  -3.773   5.782   6.719
  169   1HE   MET  24          1HE       MET  24  -3.312   5.670   8.877
  170   2HE   MET  24          2HE       MET  24  -4.746   4.652   9.061
  171   3HE   MET  24          3HE       MET  24  -3.261   4.251   9.919
  172    H    SER  25           H        SER  25  -4.097   2.738   3.316
  173    HA   SER  25           HA       SER  25  -1.815   1.356   2.383
  174   1HB   SER  25          1HB       SER  25  -3.688   0.013   2.865
  175   2HB   SER  25          2HB       SER  25  -4.766   1.009   1.892
  176    HG   SER  25           HG       SER  25  -2.572  -0.284   0.701
  177    H    GLY  26           H        GLY  26  -4.195   3.269   0.552
  178   1HA   GLY  26          1HA       GLY  26  -3.221   2.692  -2.049
  179   2HA   GLY  26          2HA       GLY  26  -4.035   4.190  -1.604
  180    H    LEU  27           H        LEU  27  -2.017   4.787   0.464
  181    HA   LEU  27           HA       LEU  27  -0.273   6.432  -1.035
  182   1HB   LEU  27          1HB       LEU  27  -0.821   5.919   1.664
  183   2HB   LEU  27          2HB       LEU  27   0.899   5.584   1.477
  184    HG   LEU  27           HG       LEU  27   1.162   7.797   0.340
  185   1HD1  LEU  27          1HD1      LEU  27  -1.492   7.712  -0.086
  186   2HD1  LEU  27          2HD1      LEU  27  -1.486   8.660   1.401
  187   3HD1  LEU  27          3HD1      LEU  27  -0.602   9.232  -0.013
  188   1HD2  LEU  27          1HD2      LEU  27   0.155   7.532   3.158
  189   2HD2  LEU  27          2HD2      LEU  27   1.777   7.924   2.588
  190   3HD2  LEU  27          3HD2      LEU  27   0.501   9.139   2.517
  191    H    TRP  28           H        TRP  28   0.441   3.303   0.574
  192    HA   TRP  28           HA       TRP  28   3.074   3.064  -0.340
  193   1HB   TRP  28          1HB       TRP  28   1.610   1.562   1.302
  194   2HB   TRP  28          2HB       TRP  28   1.404   0.607  -0.165
  195    HD1  TRP  28           HD1      TRP  28   4.374   1.853  -1.023
  196    HE1  TRP  28           HE1      TRP  28   6.442   0.497  -0.227
  197    HE3  TRP  28           HE3      TRP  28   2.211  -0.864   2.678
  198    HZ2  TRP  28           HZ2      TRP  28   7.055  -1.492   1.750
  199    HZ3  TRP  28           HZ3      TRP  28   3.536  -2.481   4.009
  200    HH2  TRP  28           HH2      TRP  28   5.953  -2.798   3.550
  201    H    LEU  29           H        LEU  29   0.164   2.863  -2.040
  202    HA   LEU  29           HA       LEU  29   1.367   1.352  -4.278
  203   1HB   LEU  29          1HB       LEU  29  -0.774   0.688  -4.526
  204   2HB   LEU  29          2HB       LEU  29  -1.302   1.828  -3.297
  205    HG   LEU  29           HG       LEU  29  -1.121   3.587  -5.259
  206   1HD1  LEU  29          1HD1      LEU  29  -0.119   1.640  -6.706
  207   2HD1  LEU  29          2HD1      LEU  29  -1.805   1.160  -6.895
  208   3HD1  LEU  29          3HD1      LEU  29  -1.276   2.750  -7.439
  209   1HD2  LEU  29          1HD2      LEU  29  -3.164   2.508  -4.009
  210   2HD2  LEU  29          2HD2      LEU  29  -3.430   3.386  -5.517
  211   3HD2  LEU  29          3HD2      LEU  29  -3.377   1.623  -5.522
  212    H    PHE  30           H        PHE  30   0.519   4.636  -3.385
  213    HA   PHE  30           HA       PHE  30   0.971   5.651  -6.030
  214   1HB   PHE  30          1HB       PHE  30  -0.557   6.610  -4.086
  215   2HB   PHE  30          2HB       PHE  30   0.933   7.451  -3.659
  216    HD1  PHE  30           HD1      PHE  30  -0.876   6.572  -6.837
  217    HD2  PHE  30           HD2      PHE  30   1.103   9.599  -4.521
  218    HE1  PHE  30           HE1      PHE  30  -1.284   8.222  -8.644
  219    HE2  PHE  30           HE2      PHE  30   0.695  11.249  -6.326
  220    HZ   PHE  30           HZ       PHE  30  -0.498  10.559  -8.389
  221    H    SER  31           H        SER  31   2.859   4.765  -3.435
  222    HA   SER  31           HA       SER  31   5.030   6.682  -3.900
  223   1HB   SER  31          1HB       SER  31   4.700   5.770  -1.640
  224   2HB   SER  31          2HB       SER  31   4.925   4.133  -2.249
  225    HG   SER  31           HG       SER  31   6.975   4.463  -1.999
  226    H    ALA  32           H        ALA  32   3.898   3.827  -5.313
  227    HA   ALA  32           HA       ALA  32   6.567   3.245  -6.549
  228   1HB   ALA  32          1HB       ALA  32   4.337   1.564  -5.611
  229   2HB   ALA  32          2HB       ALA  32   6.006   1.112  -5.968
  230   3HB   ALA  32          3HB       ALA  32   4.819   1.197  -7.271
  231    H    VAL  33           H        VAL  33   3.064   3.476  -7.294
  232    HA   VAL  33           HA       VAL  33   3.395   3.533 -10.126
  233    HB   VAL  33           HB       VAL  33   1.357   4.963  -8.457
  234   1HG1  VAL  33          1HG1      VAL  33   1.858   5.408 -11.053
  235   2HG1  VAL  33          2HG1      VAL  33   0.805   3.998 -11.216
  236   3HG1  VAL  33          3HG1      VAL  33   0.218   5.446 -10.395
  237   1HG2  VAL  33          1HG2      VAL  33   1.761   2.147  -9.069
  238   2HG2  VAL  33          2HG2      VAL  33   0.616   2.883  -7.949
  239   3HG2  VAL  33          3HG2      VAL  33   0.196   2.712  -9.653
  240    H    ALA  34           H        ALA  34   3.468   6.065  -7.636
  241    HA   ALA  34           HA       ALA  34   3.585   8.323  -9.337
  242   1HB   ALA  34          1HB       ALA  34   4.866   7.692  -6.682
  243   2HB   ALA  34          2HB       ALA  34   3.572   8.847  -7.029
  244   3HB   ALA  34          3HB       ALA  34   5.229   9.200  -7.529
  245    H    ILE  35           H        ILE  35   6.200   6.420  -7.928
  246    HA   ILE  35           HA       ILE  35   8.417   7.435  -9.172
  247    HB   ILE  35           HB       ILE  35   8.125   4.477  -9.287
  248   1HG1  ILE  35          1HG1      ILE  35   7.903   6.103  -6.766
  249   2HG1  ILE  35          2HG1      ILE  35   6.871   4.789  -7.340
  250   1HG2  ILE  35          1HG2      ILE  35  10.122   6.258  -9.477
  251   2HG2  ILE  35          2HG2      ILE  35  10.172   5.935  -7.743
  252   3HG2  ILE  35          3HG2      ILE  35  10.369   4.609  -8.893
  253   1HD1  ILE  35          1HD1      ILE  35   9.078   3.374  -7.247
  254   2HD1  ILE  35          2HD1      ILE  35   9.630   4.640  -6.150
  255   3HD1  ILE  35          3HD1      ILE  35   8.199   3.689  -5.752
  256    H    VAL  36           H        VAL  36   5.846   5.483 -10.519
  257    HA   VAL  36           HA       VAL  36   7.215   5.068 -13.046
  258    HB   VAL  36           HB       VAL  36   4.230   4.976 -12.599
  259   1HG1  VAL  36          1HG1      VAL  36   6.053   4.307 -14.726
  260   2HG1  VAL  36          2HG1      VAL  36   5.260   2.836 -14.155
  261   3HG1  VAL  36          3HG1      VAL  36   4.291   4.201 -14.713
  262   1HG2  VAL  36          1HG2      VAL  36   5.779   3.736 -10.837
  263   2HG2  VAL  36          2HG2      VAL  36   4.402   2.888 -11.548
  264   3HG2  VAL  36          3HG2      VAL  36   6.027   2.601 -12.167
  265    H    ALA  37           H        ALA  37   4.637   7.222 -11.904
  266    HA   ALA  37           HA       ALA  37   4.166   8.701 -14.165
  267   1HB   ALA  37          1HB       ALA  37   4.517  10.097 -11.530
  268   2HB   ALA  37          2HB       ALA  37   3.220   8.917 -11.724
  269   3HB   ALA  37          3HB       ALA  37   3.275  10.348 -12.757
  270    H    HIS  38           H        HIS  38   6.983   8.701 -12.023
  271    HA   HIS  38           HA       HIS  38   8.123  11.068 -13.291
  272   1HB   HIS  38          1HB       HIS  38   9.904  10.834 -11.789
  273   2HB   HIS  38          2HB       HIS  38   9.740   9.079 -11.725
  274    HD1  HIS  38           HD1      HIS  38   9.591   9.284  -9.079
  275    HD2  HIS  38           HD2      HIS  38   6.457  11.085 -11.156
  276    HE1  HIS  38           HE1      HIS  38   7.765   9.725  -7.379
  277    H    LEU  39           H        LEU  39   8.697   7.562 -13.444
  278    HA   LEU  39           HA       LEU  39  10.624   7.916 -15.620
  279   1HB   LEU  39          1HB       LEU  39   9.462   5.285 -14.705
  280   2HB   LEU  39          2HB       LEU  39  11.036   5.589 -15.442
  281    HG   LEU  39           HG       LEU  39  10.224   6.677 -12.736
  282   1HD1  LEU  39          1HD1      LEU  39  10.324   4.137 -12.881
  283   2HD1  LEU  39          2HD1      LEU  39  12.030   4.313 -13.287
  284   3HD1  LEU  39          3HD1      LEU  39  11.434   4.871 -11.725
  285   1HD2  LEU  39          1HD2      LEU  39  12.563   6.903 -14.515
  286   2HD2  LEU  39          2HD2      LEU  39  12.054   7.950 -13.191
  287   3HD2  LEU  39          3HD2      LEU  39  12.966   6.478 -12.851
  288    H    ALA  40           H        ALA  40   7.719   5.864 -15.310
  289    HA   ALA  40           HA       ALA  40   7.145   5.273 -17.898
  290   1HB   ALA  40          1HB       ALA  40   5.495   4.502 -16.491
  291   2HB   ALA  40          2HB       ALA  40   5.370   6.034 -15.624
  292   3HB   ALA  40          3HB       ALA  40   4.648   5.864 -17.225
  293    H    VAL  41           H        VAL  41   6.675   8.493 -16.440
  294    HA   VAL  41           HA       VAL  41   5.343   9.569 -18.763
  295    HB   VAL  41           HB       VAL  41   6.727  10.854 -16.405
  296   1HG1  VAL  41          1HG1      VAL  41   5.868  12.012 -18.964
  297   2HG1  VAL  41          2HG1      VAL  41   5.125  12.787 -17.565
  298   3HG1  VAL  41          3HG1      VAL  41   6.882  12.710 -17.701
  299   1HG2  VAL  41          1HG2      VAL  41   4.463   9.581 -16.283
  300   2HG2  VAL  41          2HG2      VAL  41   4.534  11.204 -15.592
  301   3HG2  VAL  41          3HG2      VAL  41   3.812  10.954 -17.182
  302    H    TYR  42           H        TYR  42   8.676  10.035 -17.518
  303    HA   TYR  42           HA       TYR  42   9.631  11.449 -19.790
  304   1HB   TYR  42          1HB       TYR  42  11.065   9.649 -17.818
  305   2HB   TYR  42          2HB       TYR  42  11.898  10.617 -19.034
  306    HD1  TYR  42           HD1      TYR  42  10.286  13.074 -19.091
  307    HD2  TYR  42           HD2      TYR  42  11.557  10.687 -15.756
  308    HE1  TYR  42           HE1      TYR  42  10.148  15.063 -17.617
  309    HE2  TYR  42           HE2      TYR  42  11.418  12.676 -14.279
  310    HH   TYR  42           HH       TYR  42   9.896  15.586 -15.258
  311    H    ILE  43           H        ILE  43   8.724   8.187 -19.407
  312    HA   ILE  43           HA       ILE  43  10.362   7.220 -21.665
  313    HB   ILE  43           HB       ILE  43   8.499   5.948 -19.664
  314   1HG1  ILE  43          1HG1      ILE  43  11.048   4.676 -20.365
  315   2HG1  ILE  43          2HG1      ILE  43  11.236   6.331 -19.785
  316   1HG2  ILE  43          1HG2      ILE  43   8.914   5.095 -22.423
  317   2HG2  ILE  43          2HG2      ILE  43   9.464   3.877 -21.272
  318   3HG2  ILE  43          3HG2      ILE  43   7.801   4.460 -21.209
  319   1HD1  ILE  43          1HD1      ILE  43   9.293   4.843 -18.200
  320   2HD1  ILE  43          2HD1      ILE  43  10.877   4.067 -18.195
  321   3HD1  ILE  43          3HD1      ILE  43  10.714   5.742 -17.669
  322    H    TRP  44           H        TRP  44   7.083   8.228 -20.919
  323    HA   TRP  44           HA       TRP  44   6.193   7.398 -23.629
  324   1HB   TRP  44          1HB       TRP  44   4.773   8.195 -21.103
  325   2HB   TRP  44          2HB       TRP  44   3.940   8.337 -22.651
  326    HD1  TRP  44           HD1      TRP  44   5.919   5.676 -20.665
  327    HE1  TRP  44           HE1      TRP  44   4.889   3.366 -21.171
  328    HE3  TRP  44           HE3      TRP  44   2.376   7.025 -24.082
  329    HZ2  TRP  44           HZ2      TRP  44   2.831   2.242 -22.811
  330    HZ3  TRP  44           HZ3      TRP  44   0.895   5.319 -25.099
  331    HH2  TRP  44           HH2      TRP  44   1.117   2.932 -24.469
  332    H    ARG  45           H        ARG  45   7.822   9.894 -22.488
  333    HA   ARG  45           HA       ARG  45   6.506  12.281 -23.016
  334   1HB   ARG  45          1HB       ARG  45   9.316  11.330 -23.426
  335   2HB   ARG  45          2HB       ARG  45   8.869  12.884 -24.119
  336   1HG   ARG  45          1HG       ARG  45   8.468  12.102 -21.215
  337   2HG   ARG  45          2HG       ARG  45   9.786  13.109 -21.814
  338   1HD   ARG  45          1HD       ARG  45   8.082  14.711 -22.714
  339   2HD   ARG  45          2HD       ARG  45   6.825  13.741 -21.948
  340    HE   ARG  45           HE       ARG  45   8.406  14.249 -19.820
  341   1HH1  ARG  45          1HH1      ARG  45   5.994  15.941 -21.121
  342   2HH1  ARG  45          2HH1      ARG  45   6.584  17.528 -20.756
  343   1HH2  ARG  45          1HH2      ARG  45   9.760  16.439 -19.891
  344   2HH2  ARG  45          2HH2      ARG  45   8.715  17.809 -20.059
  345   1HB   PRO  46          1HB       PRO  46   6.184  14.839 -28.066
  346   2HB   PRO  46          2HB       PRO  46   4.755  14.468 -27.086
  347   1HG   PRO  46          1HG       PRO  46   5.741  15.881 -25.542
  348   2HG   PRO  46          2HG       PRO  46   7.356  15.665 -26.237
  349   1HD   PRO  46          1HD       PRO  46   7.752  14.236 -24.479
  350   2HD   PRO  46          2HD       PRO  46   6.028  14.140 -24.068
  351    H    TRP  47           H        TRP  47   6.665  11.058 -28.667
  352    HA   TRP  47           HA       TRP  47   9.305  12.109 -29.583
  353   1HB   TRP  47          1HB       TRP  47   8.715   9.175 -29.088
  354   2HB   TRP  47          2HB       TRP  47  10.272   9.902 -29.481
  355    HD1  TRP  47           HD1      TRP  47   8.193   8.874 -26.598
  356    HE1  TRP  47           HE1      TRP  47   9.211   9.747 -24.400
  357    HE3  TRP  47           HE3      TRP  47  11.613  12.188 -28.456
  358    HZ2  TRP  47           HZ2      TRP  47  11.208  11.605 -23.537
  359    HZ3  TRP  47           HZ3      TRP  47  13.058  13.493 -26.924
  360    HH2  TRP  47           HH2      TRP  47  12.860  13.206 -24.469
  361    H    PHE  48           H        PHE  48   6.739   9.712 -30.163
  362    HA   PHE  48           HA       PHE  48   5.943   8.829 -32.193
  363   1HB   PHE  48          1HB       PHE  48   5.265  11.433 -31.906
  364   2HB   PHE  48          2HB       PHE  48   6.135  11.513 -33.440
  365    HD1  PHE  48           HD1      PHE  48   3.852   8.995 -31.837
  366    HD2  PHE  48           HD2      PHE  48   4.694  11.441 -35.265
  367    HE1  PHE  48           HE1      PHE  48   1.888   8.032 -33.005
  368    HE2  PHE  48           HE2      PHE  48   2.729  10.479 -36.434
  369    HZ   PHE  48           HZ       PHE  48   1.327   8.774 -35.303

  No H/Q in entry =         369
  Start of MODEL    6
    1    H1   ALA   1           H1       ALA   1 -30.058  -3.479   9.247
    2    H2   ALA   1           H2       ALA   1 -29.426  -4.797  10.114
    3    H3   ALA   1           H3       ALA   1 -30.680  -5.035   8.992
    4    HA   ALA   1           HA       ALA   1 -32.253  -3.938  10.334
    5   1HB   ALA   1          1HB       ALA   1 -32.449  -5.600  11.875
    6   2HB   ALA   1          2HB       ALA   1 -30.850  -5.286  12.551
    7   3HB   ALA   1          3HB       ALA   1 -31.015  -6.266  11.093
    8    H    ASP   2           H        ASP   2 -29.017  -3.009  10.891
    9    HA   ASP   2           HA       ASP   2 -29.712  -0.549  12.130
   10   1HB   ASP   2          1HB       ASP   2 -30.308  -2.073  14.034
   11   2HB   ASP   2          2HB       ASP   2 -29.038  -0.917  14.438
   12    H    LYS   3           H        LYS   3 -27.247  -0.687  13.923
   13    HA   LYS   3           HA       LYS   3 -24.976  -1.410  12.367
   14   1HB   LYS   3          1HB       LYS   3 -24.568   1.383  12.321
   15   2HB   LYS   3          2HB       LYS   3 -24.775   0.319  10.935
   16   1HG   LYS   3          1HG       LYS   3 -27.079   0.787  10.766
   17   2HG   LYS   3          2HG       LYS   3 -27.168   1.390  12.422
   18   1HD   LYS   3          1HD       LYS   3 -25.364   3.129  11.427
   19   2HD   LYS   3          2HD       LYS   3 -26.261   2.772   9.950
   20   1HE   LYS   3          1HE       LYS   3 -27.377   3.824  12.562
   21   2HE   LYS   3          2HE       LYS   3 -27.344   4.650  11.004
   22   1HZ   LYS   3          1HZ       LYS   3 -28.791   2.109  11.515
   23   2HZ   LYS   3          2HZ       LYS   3 -29.517   3.641  11.551
   24   3HZ   LYS   3          3HZ       LYS   3 -28.851   3.052  10.104
   25    H    SER   4           H        SER   4 -23.928  -1.984  13.965
   26    HA   SER   4           HA       SER   4 -22.354  -0.653  15.636
   27   1HB   SER   4          1HB       SER   4 -23.707  -0.654  17.832
   28   2HB   SER   4          2HB       SER   4 -24.090   0.628  16.688
   29    HG   SER   4           HG       SER   4 -25.760  -1.052  17.704
   30    H    ASP   5           H        ASP   5 -21.128  -2.254  16.345
   31    HA   ASP   5           HA       ASP   5 -20.445  -4.518  16.341
   32   1HB   ASP   5          1HB       ASP   5 -20.930  -5.457  18.520
   33   2HB   ASP   5          2HB       ASP   5 -22.362  -4.438  18.682
   34    H    LEU   6           H        LEU   6 -22.888  -4.209  14.658
   35    HA   LEU   6           HA       LEU   6 -23.638  -7.036  14.514
   36   1HB   LEU   6          1HB       LEU   6 -25.702  -4.836  14.948
   37   2HB   LEU   6          2HB       LEU   6 -26.088  -6.477  14.426
   38    HG   LEU   6           HG       LEU   6 -24.480  -6.045  16.892
   39   1HD1  LEU   6          1HD1      LEU   6 -26.865  -4.772  16.669
   40   2HD1  LEU   6          2HD1      LEU   6 -27.401  -6.354  17.238
   41   3HD1  LEU   6          3HD1      LEU   6 -26.252  -5.416  18.192
   42   1HD2  LEU   6          1HD2      LEU   6 -25.000  -8.302  15.694
   43   2HD2  LEU   6          2HD2      LEU   6 -25.187  -8.218  17.446
   44   3HD2  LEU   6          3HD2      LEU   6 -26.605  -8.114  16.401
   45    H    GLY   7           H        GLY   7 -24.283  -3.722  13.675
   46   1HA   GLY   7          1HA       GLY   7 -24.203  -4.408  10.768
   47   2HA   GLY   7          2HA       GLY   7 -24.951  -2.947  11.434
   48    H    TYR   8           H        TYR   8 -22.569  -2.996  13.463
   49    HA   TYR   8           HA       TYR   8 -20.813  -1.407  11.773
   50   1HB   TYR   8          1HB       TYR   8 -21.287  -0.284  13.764
   51   2HB   TYR   8          2HB       TYR   8 -21.191  -1.773  14.695
   52    HD1  TYR   8           HD1      TYR   8 -19.115   0.680  12.782
   53    HD2  TYR   8           HD2      TYR   8 -19.205  -2.475  15.696
   54    HE1  TYR   8           HE1      TYR   8 -16.750   1.152  13.361
   55    HE2  TYR   8           HE2      TYR   8 -16.833  -2.005  16.276
   56    HH   TYR   8           HH       TYR   8 -14.769  -0.732  14.667
   57    H    THR   9           H        THR   9 -21.072  -4.552  12.935
   58    HA   THR   9           HA       THR   9 -18.270  -5.119  13.346
   59    HB   THR   9           HB       THR   9 -20.352  -7.146  12.510
   60    HG1  THR   9           HG1      THR   9 -21.234  -5.902  14.153
   61   1HG2  THR   9          1HG2      THR   9 -17.823  -7.639  12.857
   62   2HG2  THR   9          2HG2      THR   9 -18.176  -7.436  14.573
   63   3HG2  THR   9          3HG2      THR   9 -18.995  -8.694  13.648
   64    H    GLY  10           H        GLY  10 -20.499  -6.101  10.740
   65   1HA   GLY  10          1HA       GLY  10 -18.441  -6.897   8.919
   66   2HA   GLY  10          2HA       GLY  10 -20.093  -6.486   8.456
   67    H    LEU  11           H        LEU  11 -20.183  -3.792   9.284
   68    HA   LEU  11           HA       LEU  11 -18.908  -2.526   7.115
   69   1HB   LEU  11          1HB       LEU  11 -20.419  -0.940   7.630
   70   2HB   LEU  11          2HB       LEU  11 -20.842  -1.845   9.078
   71    HG   LEU  11           HG       LEU  11 -18.659  -0.696  10.034
   72   1HD1  LEU  11          1HD1      LEU  11 -18.236   0.337   7.727
   73   2HD1  LEU  11          2HD1      LEU  11 -19.610   1.390   8.060
   74   3HD1  LEU  11          3HD1      LEU  11 -18.184   1.450   9.094
   75   1HD2  LEU  11          1HD2      LEU  11 -21.428  -0.225  10.174
   76   2HD2  LEU  11          2HD2      LEU  11 -20.205   0.354  11.304
   77   3HD2  LEU  11          3HD2      LEU  11 -20.702   1.366   9.949
   78    H    THR  12           H        THR  12 -17.971  -2.866  10.516
   79    HA   THR  12           HA       THR  12 -15.823  -1.082  10.480
   80    HB   THR  12           HB       THR  12 -16.195  -3.662  11.981
   81    HG1  THR  12           HG1      THR  12 -17.180  -1.309  12.115
   82   1HG2  THR  12          1HG2      THR  12 -14.020  -1.566  12.289
   83   2HG2  THR  12          2HG2      THR  12 -14.315  -2.891  13.413
   84   3HG2  THR  12          3HG2      THR  12 -13.780  -3.233  11.768
   85    H    ASP  13           H        ASP  13 -16.272  -3.978   8.935
   86    HA   ASP  13           HA       ASP  13 -13.522  -4.624   8.546
   87   1HB   ASP  13          1HB       ASP  13 -15.665  -6.151   8.275
   88   2HB   ASP  13          2HB       ASP  13 -15.611  -5.542   6.621
   89    H    GLU  14           H        GLU  14 -15.973  -2.899   6.666
   90    HA   GLU  14           HA       GLU  14 -13.800  -2.293   4.740
   91   1HB   GLU  14          1HB       GLU  14 -16.688  -2.451   4.556
   92   2HB   GLU  14          2HB       GLU  14 -16.061  -0.948   3.878
   93   1HG   GLU  14          1HG       GLU  14 -14.275  -2.518   2.773
   94   2HG   GLU  14          2HG       GLU  14 -15.484  -3.773   3.049
   95    H    GLN  15           H        GLN  15 -15.132  -0.996   7.480
   96    HA   GLN  15           HA       GLN  15 -14.645   1.797   6.695
   97   1HB   GLN  15          1HB       GLN  15 -16.375   0.578   8.547
   98   2HB   GLN  15          2HB       GLN  15 -16.143   2.298   8.288
   99   1HG   GLN  15          1HG       GLN  15 -14.448   0.644  10.172
  100   2HG   GLN  15          2HG       GLN  15 -15.852   1.580  10.680
  101   2HE2  GLN  15          2HE2      GLN  15 -15.600   3.955   9.292
  102   1HE2  GLN  15          1HE2      GLN  15 -14.134   4.722   9.672
  103    H    ALA  16           H        ALA  16 -13.658  -0.688   8.860
  104    HA   ALA  16           HA       ALA  16 -11.383   0.586   9.988
  105   1HB   ALA  16          1HB       ALA  16 -12.052  -1.645  10.776
  106   2HB   ALA  16          2HB       ALA  16 -10.394  -1.711  10.176
  107   3HB   ALA  16          3HB       ALA  16 -11.717  -2.327   9.185
  108    H    GLN  17           H        GLN  17 -12.144  -0.690   6.819
  109    HA   GLN  17           HA       GLN  17  -9.339  -0.265   5.929
  110   1HB   GLN  17          1HB       GLN  17 -11.772  -1.388   4.545
  111   2HB   GLN  17          2HB       GLN  17 -10.230  -1.104   3.733
  112   1HG   GLN  17          1HG       GLN  17  -9.326  -2.442   5.872
  113   2HG   GLN  17          2HG       GLN  17 -10.943  -3.142   5.781
  114   2HE2  GLN  17          2HE2      GLN  17 -11.543  -3.694   3.293
  115   1HE2  GLN  17          1HE2      GLN  17 -10.324  -4.522   2.449
  116    H    GLU  18           H        GLU  18 -12.484   1.247   5.833
  117    HA   GLU  18           HA       GLU  18 -12.175   2.955   3.595
  118   1HB   GLU  18          1HB       GLU  18 -13.782   4.374   4.619
  119   2HB   GLU  18          2HB       GLU  18 -14.208   2.754   5.145
  120   1HG   GLU  18          1HG       GLU  18 -12.330   3.804   7.015
  121   2HG   GLU  18          2HG       GLU  18 -14.029   3.432   7.284
  122    H    LEU  19           H        LEU  19 -10.646   2.813   6.624
  123    HA   LEU  19           HA       LEU  19  -9.252   5.398   6.177
  124   1HB   LEU  19          1HB       LEU  19  -8.818   5.416   8.510
  125   2HB   LEU  19          2HB       LEU  19 -10.501   4.935   8.352
  126    HG   LEU  19           HG       LEU  19  -9.124   2.535   8.210
  127   1HD1  LEU  19          1HD1      LEU  19  -7.532   4.529   9.655
  128   2HD1  LEU  19          2HD1      LEU  19  -7.917   3.121  10.647
  129   3HD1  LEU  19          3HD1      LEU  19  -7.078   2.915   9.109
  130   1HD2  LEU  19          1HD2      LEU  19 -10.410   3.933  10.582
  131   2HD2  LEU  19          2HD2      LEU  19 -11.224   2.893   9.411
  132   3HD2  LEU  19          3HD2      LEU  19 -10.037   2.210  10.525
  133    H    HIS  20           H        HIS  20  -8.866   1.979   6.304
  134    HA   HIS  20           HA       HIS  20  -5.952   2.181   6.589
  135   1HB   HIS  20          1HB       HIS  20  -7.949   0.154   7.033
  136   2HB   HIS  20          2HB       HIS  20  -6.653  -0.464   6.035
  137    HD1  HIS  20           HD1      HIS  20  -4.370  -0.810   7.144
  138    HD2  HIS  20           HD2      HIS  20  -7.109   1.122   9.618
  139    HE1  HIS  20           HE1      HIS  20  -3.313  -0.716   9.444
  140    H    SER  21           H        SER  21  -7.682  -0.061   4.447
  141    HA   SER  21           HA       SER  21  -5.870  -0.287   2.462
  142   1HB   SER  21          1HB       SER  21  -8.830   0.033   2.017
  143   2HB   SER  21          2HB       SER  21  -7.706  -0.570   0.812
  144    HG   SER  21           HG       SER  21  -7.164  -2.240   2.325
  145    H    VAL  22           H        VAL  22  -8.564   1.742   1.749
  146    HA   VAL  22           HA       VAL  22  -7.719   3.248  -0.263
  147    HB   VAL  22           HB       VAL  22  -9.857   3.700   0.616
  148   1HG1  VAL  22          1HG1      VAL  22  -8.628   3.146   3.060
  149   2HG1  VAL  22          2HG1      VAL  22  -9.124   4.833   3.212
  150   3HG1  VAL  22          3HG1      VAL  22 -10.323   3.593   2.837
  151   1HG2  VAL  22          1HG2      VAL  22  -8.058   5.832   0.317
  152   2HG2  VAL  22          2HG2      VAL  22  -9.818   5.941   0.318
  153   3HG2  VAL  22          3HG2      VAL  22  -8.918   6.178   1.817
  154    H    TYR  23           H        TYR  23  -6.838   3.696   3.086
  155    HA   TYR  23           HA       TYR  23  -5.157   6.021   2.696
  156   1HB   TYR  23          1HB       TYR  23  -6.320   5.749   4.761
  157   2HB   TYR  23          2HB       TYR  23  -5.710   4.111   4.945
  158    HD1  TYR  23           HD1      TYR  23  -3.284   6.504   3.714
  159    HD2  TYR  23           HD2      TYR  23  -5.071   4.858   7.250
  160    HE1  TYR  23           HE1      TYR  23  -1.387   7.352   5.075
  161    HE2  TYR  23           HE2      TYR  23  -3.203   5.696   8.612
  162    HH   TYR  23           HH       TYR  23  -1.280   7.977   7.888
  163    H    MET  24           H        MET  24  -3.947   3.336   4.594
  164    HA   MET  24           HA       MET  24  -1.291   3.566   3.754
  165   1HB   MET  24          1HB       MET  24  -1.995   2.264   5.730
  166   2HB   MET  24          2HB       MET  24  -0.925   1.329   4.687
  167   1HG   MET  24          1HG       MET  24  -3.857   1.115   4.184
  168   2HG   MET  24          2HG       MET  24  -3.224   0.323   5.623
  169   1HE   MET  24          1HE       MET  24  -1.017  -0.742   5.614
  170   2HE   MET  24          2HE       MET  24  -1.988  -2.201   5.422
  171   3HE   MET  24          3HE       MET  24  -0.532  -1.986   4.453
  172    H    SER  25           H        SER  25  -3.766   1.374   2.372
  173    HA   SER  25           HA       SER  25  -1.936   0.192   0.485
  174   1HB   SER  25          1HB       SER  25  -4.848   0.140   0.973
  175   2HB   SER  25          2HB       SER  25  -4.373  -0.125  -0.700
  176    HG   SER  25           HG       SER  25  -3.232  -1.881  -0.105
  177    H    GLY  26           H        GLY  26  -4.040   3.031   0.375
  178   1HA   GLY  26          1HA       GLY  26  -3.486   3.449  -2.486
  179   2HA   GLY  26          2HA       GLY  26  -4.466   4.491  -1.456
  180    H    LEU  27           H        LEU  27  -1.838   4.025   0.350
  181    HA   LEU  27           HA       LEU  27  -0.609   6.529  -0.601
  182   1HB   LEU  27          1HB       LEU  27  -1.048   5.229   1.973
  183   2HB   LEU  27          2HB       LEU  27   0.598   5.843   1.795
  184    HG   LEU  27           HG       LEU  27  -0.779   7.609   2.732
  185   1HD1  LEU  27          1HD1      LEU  27   0.701   7.831   0.373
  186   2HD1  LEU  27          2HD1      LEU  27  -0.792   8.706   0.031
  187   3HD1  LEU  27          3HD1      LEU  27   0.200   9.161   1.418
  188   1HD2  LEU  27          1HD2      LEU  27  -2.952   6.670   1.893
  189   2HD2  LEU  27          2HD2      LEU  27  -2.796   8.404   1.617
  190   3HD2  LEU  27          3HD2      LEU  27  -2.547   7.274   0.287
  191    H    TRP  28           H        TRP  28   0.202   3.160   0.150
  192    HA   TRP  28           HA       TRP  28   2.996   3.513  -0.476
  193   1HB   TRP  28          1HB       TRP  28   2.402   1.833   1.156
  194   2HB   TRP  28          2HB       TRP  28   1.274   1.088   0.028
  195    HD1  TRP  28           HD1      TRP  28   2.620   0.482  -2.414
  196    HE1  TRP  28           HE1      TRP  28   4.772  -0.941  -2.635
  197    HE3  TRP  28           HE3      TRP  28   4.449   0.976   2.304
  198    HZ2  TRP  28           HZ2      TRP  28   6.976  -1.753  -0.993
  199    HZ3  TRP  28           HZ3      TRP  28   6.569  -0.124   2.962
  200    HH2  TRP  28           HH2      TRP  28   7.835  -1.487   1.321
  201    H    LEU  29           H        LEU  29   0.114   2.885  -2.132
  202    HA   LEU  29           HA       LEU  29   1.339   1.698  -4.494
  203   1HB   LEU  29          1HB       LEU  29  -0.838   1.065  -4.600
  204   2HB   LEU  29          2HB       LEU  29  -1.345   2.341  -3.506
  205    HG   LEU  29           HG       LEU  29  -1.014   3.890  -5.620
  206   1HD1  LEU  29          1HD1      LEU  29  -1.395   1.127  -6.811
  207   2HD1  LEU  29          2HD1      LEU  29  -1.589   2.637  -7.702
  208   3HD1  LEU  29          3HD1      LEU  29  -0.009   2.189  -7.057
  209   1HD2  LEU  29          1HD2      LEU  29  -3.135   2.949  -4.328
  210   2HD2  LEU  29          2HD2      LEU  29  -3.310   3.818  -5.853
  211   3HD2  LEU  29          3HD2      LEU  29  -3.362   2.055  -5.832
  212    H    PHE  30           H        PHE  30  -0.104   4.907  -3.758
  213    HA   PHE  30           HA       PHE  30   0.589   6.160  -6.136
  214   1HB   PHE  30          1HB       PHE  30  -0.163   7.004  -3.454
  215   2HB   PHE  30          2HB       PHE  30   0.953   8.135  -4.219
  216    HD1  PHE  30           HD1      PHE  30  -1.457   5.960  -6.015
  217    HD2  PHE  30           HD2      PHE  30  -0.573   9.938  -4.657
  218    HE1  PHE  30           HE1      PHE  30  -3.308   6.848  -7.407
  219    HE2  PHE  30           HE2      PHE  30  -2.425  10.825  -6.048
  220    HZ   PHE  30           HZ       PHE  30  -3.792   9.279  -7.423
  221    H    SER  31           H        SER  31   2.548   5.084  -3.598
  222    HA   SER  31           HA       SER  31   4.826   6.803  -4.045
  223   1HB   SER  31          1HB       SER  31   4.674   4.021  -2.839
  224   2HB   SER  31          2HB       SER  31   6.085   5.074  -2.773
  225    HG   SER  31           HG       SER  31   5.032   6.419  -1.439
  226    H    ALA  32           H        ALA  32   4.345   3.346  -4.877
  227    HA   ALA  32           HA       ALA  32   6.555   3.213  -6.711
  228   1HB   ALA  32          1HB       ALA  32   4.154   1.546  -6.088
  229   2HB   ALA  32          2HB       ALA  32   5.857   1.087  -6.146
  230   3HB   ALA  32          3HB       ALA  32   4.943   1.270  -7.642
  231    H    VAL  33           H        VAL  33   3.038   3.329  -7.459
  232    HA   VAL  33           HA       VAL  33   3.181   3.697 -10.206
  233    HB   VAL  33           HB       VAL  33   1.442   5.180  -8.272
  234   1HG1  VAL  33          1HG1      VAL  33   1.816   5.691 -10.969
  235   2HG1  VAL  33          2HG1      VAL  33   0.386   4.653 -10.951
  236   3HG1  VAL  33          3HG1      VAL  33   0.397   6.156 -10.028
  237   1HG2  VAL  33          1HG2      VAL  33   1.355   2.644  -8.243
  238   2HG2  VAL  33          2HG2      VAL  33  -0.178   3.429  -8.625
  239   3HG2  VAL  33          3HG2      VAL  33   0.795   2.721  -9.915
  240    H    ALA  34           H        ALA  34   3.526   6.206  -7.684
  241    HA   ALA  34           HA       ALA  34   3.794   8.432  -9.403
  242   1HB   ALA  34          1HB       ALA  34   5.273   7.833  -6.832
  243   2HB   ALA  34          2HB       ALA  34   5.234   9.406  -7.631
  244   3HB   ALA  34          3HB       ALA  34   3.745   8.711  -6.971
  245    H    ILE  35           H        ILE  35   6.333   6.412  -7.979
  246    HA   ILE  35           HA       ILE  35   8.558   7.377  -9.277
  247    HB   ILE  35           HB       ILE  35   8.277   4.425  -9.306
  248   1HG1  ILE  35          1HG1      ILE  35   7.978   6.099  -6.825
  249   2HG1  ILE  35          2HG1      ILE  35   7.015   4.729  -7.377
  250   1HG2  ILE  35          1HG2      ILE  35  10.253   6.206  -9.531
  251   2HG2  ILE  35          2HG2      ILE  35  10.284   5.972  -7.785
  252   3HG2  ILE  35          3HG2      ILE  35  10.516   4.591  -8.860
  253   1HD1  ILE  35          1HD1      ILE  35   9.927   4.544  -6.565
  254   2HD1  ILE  35          2HD1      ILE  35   8.574   4.124  -5.514
  255   3HD1  ILE  35          3HD1      ILE  35   8.866   3.200  -6.987
  256    H    VAL  36           H        VAL  36   5.875   5.538 -10.518
  257    HA   VAL  36           HA       VAL  36   7.192   4.981 -13.054
  258    HB   VAL  36           HB       VAL  36   4.213   5.036 -12.554
  259   1HG1  VAL  36          1HG1      VAL  36   5.873   4.375 -14.756
  260   2HG1  VAL  36          2HG1      VAL  36   5.269   2.844 -14.111
  261   3HG1  VAL  36          3HG1      VAL  36   4.135   4.103 -14.603
  262   1HG2  VAL  36          1HG2      VAL  36   5.730   3.756 -10.798
  263   2HG2  VAL  36          2HG2      VAL  36   4.311   2.952 -11.481
  264   3HG2  VAL  36          3HG2      VAL  36   5.915   2.592 -12.114
  265    H    ALA  37           H        ALA  37   4.740   7.280 -11.895
  266    HA   ALA  37           HA       ALA  37   4.209   8.770 -14.106
  267   1HB   ALA  37          1HB       ALA  37   4.944  10.125 -11.516
  268   2HB   ALA  37          2HB       ALA  37   3.485   9.139 -11.640
  269   3HB   ALA  37          3HB       ALA  37   3.677  10.565 -12.662
  270    H    HIS  38           H        HIS  38   7.184   8.677 -12.166
  271    HA   HIS  38           HA       HIS  38   8.399  10.794 -13.795
  272   1HB   HIS  38          1HB       HIS  38   9.842   8.866 -11.964
  273   2HB   HIS  38          2HB       HIS  38  10.361  10.479 -12.455
  274    HD1  HIS  38           HD1      HIS  38   9.838   9.520  -9.436
  275    HD2  HIS  38           HD2      HIS  38   7.251  11.803 -11.776
  276    HE1  HIS  38           HE1      HIS  38   8.334  10.774  -7.828
  277    H    LEU  39           H        LEU  39   9.397   7.410 -13.250
  278    HA   LEU  39           HA       LEU  39  10.985   7.141 -15.555
  279   1HB   LEU  39          1HB       LEU  39   9.207   4.956 -14.443
  280   2HB   LEU  39          2HB       LEU  39  10.724   4.756 -15.318
  281    HG   LEU  39           HG       LEU  39  10.413   6.049 -12.592
  282   1HD1  LEU  39          1HD1      LEU  39  11.623   3.407 -13.454
  283   2HD1  LEU  39          2HD1      LEU  39  11.678   4.065 -11.819
  284   3HD1  LEU  39          3HD1      LEU  39  10.131   3.614 -12.536
  285   1HD2  LEU  39          1HD2      LEU  39  12.243   6.938 -14.144
  286   2HD2  LEU  39          2HD2      LEU  39  12.796   6.297 -12.597
  287   3HD2  LEU  39          3HD2      LEU  39  12.960   5.329 -14.061
  288    H    ALA  40           H        ALA  40   7.730   5.748 -15.276
  289    HA   ALA  40           HA       ALA  40   7.189   5.265 -17.916
  290   1HB   ALA  40          1HB       ALA  40   5.380   4.625 -16.710
  291   2HB   ALA  40          2HB       ALA  40   5.483   6.007 -15.623
  292   3HB   ALA  40          3HB       ALA  40   4.764   6.196 -17.221
  293    H    VAL  41           H        VAL  41   5.991   8.358 -16.482
  294    HA   VAL  41           HA       VAL  41   5.307   9.501 -18.935
  295    HB   VAL  41           HB       VAL  41   6.479  11.020 -16.582
  296   1HG1  VAL  41          1HG1      VAL  41   6.204  12.271 -18.743
  297   2HG1  VAL  41          2HG1      VAL  41   4.486  11.877 -18.698
  298   3HG1  VAL  41          3HG1      VAL  41   5.191  12.888 -17.437
  299   1HG2  VAL  41          1HG2      VAL  41   4.406   9.321 -16.370
  300   2HG2  VAL  41          2HG2      VAL  41   4.437  10.862 -15.513
  301   3HG2  VAL  41          3HG2      VAL  41   3.543  10.712 -17.026
  302    H    TYR  42           H        TYR  42   8.403  10.326 -17.264
  303    HA   TYR  42           HA       TYR  42   9.566  11.734 -19.361
  304   1HB   TYR  42          1HB       TYR  42  11.470  11.620 -18.149
  305   2HB   TYR  42          2HB       TYR  42  10.495  10.753 -16.970
  306    HD1  TYR  42           HD1      TYR  42  12.320  10.019 -20.165
  307    HD2  TYR  42           HD2      TYR  42  11.355   8.789 -16.178
  308    HE1  TYR  42           HE1      TYR  42  13.783   8.024 -20.435
  309    HE2  TYR  42           HE2      TYR  42  12.814   6.789 -16.434
  310    HH   TYR  42           HH       TYR  42  15.096   6.475 -18.779
  311    H    ILE  43           H        ILE  43   8.939   8.328 -19.166
  312    HA   ILE  43           HA       ILE  43  10.415   7.705 -21.633
  313    HB   ILE  43           HB       ILE  43   8.708   6.174 -19.688
  314   1HG1  ILE  43          1HG1      ILE  43  11.421   5.706 -20.960
  315   2HG1  ILE  43          2HG1      ILE  43  11.134   6.344 -19.340
  316   1HG2  ILE  43          1HG2      ILE  43   8.892   5.649 -22.576
  317   2HG2  ILE  43          2HG2      ILE  43   9.371   4.279 -21.573
  318   3HG2  ILE  43          3HG2      ILE  43   7.770   4.995 -21.381
  319   1HD1  ILE  43          1HD1      ILE  43   9.724   4.148 -19.029
  320   2HD1  ILE  43          2HD1      ILE  43  10.691   3.562 -20.381
  321   3HD1  ILE  43          3HD1      ILE  43  11.482   4.079 -18.892
  322    H    TRP  44           H        TRP  44   7.025   6.848 -20.987
  323    HA   TRP  44           HA       TRP  44   6.277   7.573 -23.702
  324   1HB   TRP  44          1HB       TRP  44   4.163   6.554 -23.204
  325   2HB   TRP  44          2HB       TRP  44   5.410   5.538 -22.496
  326    HD1  TRP  44           HD1      TRP  44   5.613   8.076 -20.209
  327    HE1  TRP  44           HE1      TRP  44   4.024   7.832 -18.188
  328    HE3  TRP  44           HE3      TRP  44   2.329   4.692 -22.115
  329    HZ2  TRP  44           HZ2      TRP  44   1.660   6.375 -17.487
  330    HZ3  TRP  44           HZ3      TRP  44   0.417   3.885 -20.760
  331    HH2  TRP  44           HH2      TRP  44   0.078   4.722 -18.450
  332    H    ARG  45           H        ARG  45   7.100   9.822 -22.213
  333    HA   ARG  45           HA       ARG  45   4.986  11.263 -21.009
  334   1HB   ARG  45          1HB       ARG  45   6.862  12.430 -20.557
  335   2HB   ARG  45          2HB       ARG  45   7.692  11.774 -21.960
  336   1HG   ARG  45          1HG       ARG  45   6.255  13.458 -23.331
  337   2HG   ARG  45          2HG       ARG  45   5.970  14.243 -21.776
  338   1HD   ARG  45          1HD       ARG  45   8.232  14.760 -21.485
  339   2HD   ARG  45          2HD       ARG  45   8.757  13.503 -22.607
  340    HE   ARG  45           HE       ARG  45   7.376  15.996 -23.530
  341   1HH1  ARG  45          1HH1      ARG  45   7.516  15.252 -25.946
  342   2HH1  ARG  45          2HH1      ARG  45   9.154  15.074 -26.478
  343   1HH2  ARG  45          1HH2      ARG  45  10.469  15.019 -23.270
  344   2HH2  ARG  45          2HH2      ARG  45  10.826  14.942 -24.963
  345   1HB   PRO  46          1HB       PRO  46   5.440  11.998 -27.453
  346   2HB   PRO  46          2HB       PRO  46   6.063  13.367 -26.517
  347   1HG   PRO  46          1HG       PRO  46   7.854  11.984 -26.066
  348   2HG   PRO  46          2HG       PRO  46   6.945  10.524 -26.489
  349   1HD   PRO  46          1HD       PRO  46   6.679  10.152 -24.241
  350   2HD   PRO  46          2HD       PRO  46   7.345  11.746 -23.837
  351    H    TRP  47           H        TRP  47   2.074  12.353 -25.670
  352    HA   TRP  47           HA       TRP  47   1.766   9.687 -26.962
  353   1HB   TRP  47          1HB       TRP  47   0.782  10.528 -24.337
  354   2HB   TRP  47          2HB       TRP  47  -0.522  10.000 -25.402
  355    HD1  TRP  47           HD1      TRP  47   3.090   8.699 -24.953
  356    HE1  TRP  47           HE1      TRP  47   2.981   6.146 -24.582
  357    HE3  TRP  47           HE3      TRP  47  -1.969   8.016 -25.000
  358    HZ2  TRP  47           HZ2      TRP  47   1.006   4.091 -24.334
  359    HZ3  TRP  47           HZ3      TRP  47  -2.937   5.756 -24.693
  360    HH2  TRP  47           HH2      TRP  47  -1.457   3.793 -24.361
  361    H    PHE  48           H        PHE  48   1.501  12.835 -27.402
  362    HA   PHE  48           HA       PHE  48  -1.233  13.241 -28.166
  363   1HB   PHE  48          1HB       PHE  48   1.070  14.806 -27.974
  364   2HB   PHE  48          2HB       PHE  48   0.683  14.817 -29.695
  365    HD1  PHE  48           HD1      PHE  48  -2.210  14.650 -29.785
  366    HD2  PHE  48           HD2      PHE  48   0.298  16.818 -27.053
  367    HE1  PHE  48           HE1      PHE  48  -4.056  16.252 -29.360
  368    HE2  PHE  48           HE2      PHE  48  -1.547  18.419 -26.629
  369    HZ   PHE  48           HZ       PHE  48  -3.725  18.137 -27.783

  No H/Q in entry =         369