*HEADER    STRUCTURAL PROTEIN                      14-JUL-04   1U0P
*TITLE     STABLE A-STATE HAIRPIN OF T4 FIBRITIN FOLDON
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: FIBRITIN;
*COMPND   3 CHAIN: A;
*COMPND   4 FRAGMENT: C-TERMINAL DOMAIN;
*COMPND   5 SYNONYM: WHISKER ANTIGEN CONTROL PROTEIN;
*COMPND   6 ENGINEERED: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: BACTERIOPHAGE OX2;
*SOURCE   3 ORGANISM_COMMON: T4-LIKE VIRUS;
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID
*KEYWDS    BETA-HAIRPIN, HAIRPIN, FOLDING NUCLEUS
*EXPDTA    NMR, 10 STRUCTURES
*AUTHOR    S.MEIER, S.GUTHE, T.KIEFHABER, S.GRZESIEK
*REVDAT   1   22-FEB-05 1U0P    0


assign (resid   1   and name  HN)  (resid      0   and name  HA )    1.95466 0.3  0.3 
assign (resid   1   and name  HN)  (resid      0   and name  HB# )    2.32715 0.3  0.3 
assign (resid   2   and name  HD#)  (resid      2   and name  HB# )    2.13167 0.3  0.3 
assign (resid   2   and name  HD#)  (resid      2   and name  HB# )    2.19393 0.3  0.3 
assign (resid   2   and name  HN)  (resid      1   and name  HA#)    2.21992 0.3  0.3 
assign (resid   2   and name  HN)  (resid      2   and name  HB# )    2.20732 0.3  0.3 
assign (resid   2   and name  HN)  (resid      2   and name  HB# )    2.42617 0.3  0.3 
assign (resid   3   and name  HN)  (resid      2   and name  HA )    1.99665 0.2  0.3 
assign (resid   3   and name  HN)  (resid      3   and name  HA )    2.5581  0.1  0.2 
assign (resid   3   and name  HN)  (resid      3   and name  HB )    2.54117 0.3  0.3 
assign (resid   3   and name  HN)  (resid      3   and name  HG11 )    2.6683 0.3  0.3 
assign (resid   3   and name  HN)  (resid      3   and name  HG12 )    2.79433 0.3  0.3 
assign (resid   4   and name  HD#)  (resid      3   and name  HG2# )    2.6004 0.3  0.3 
assign (resid   5   and name  HN)  (resid      4   and name  HA )    2.00159 0.2  0.2 
assign (resid   5   and name  HN)  (resid      5   and name  HA )    2.36697 0.3  0.3 
assign (resid   5   and name  HN)  (resid      5   and name  HB# )    2.40528 0.3  0.3 
assign (resid   5   and name  HN)  (resid      5   and name  HB# )    2.62645 0.3  0.3 
assign (resid   5   and name  HN)  (resid      5   and name  HG# )    2.7375 0.3  0.3 
assign (resid   6   and name  HN)  (resid      6   and name  HB# )    2.23036 0.3  0.6
assign (resid   6   and name  HN)  (resid      5   and name  HA )    2.03036 0.1  0.2 
assign (resid   6   and name  HN)  (resid      6   and name  HA )    2.73036 0.1  0.2 
assign (resid   7   and name  HD#)  (resid      6   and name  HB# )    2.66355 0.3  0.3 
assign (resid   8   and name  HN)  (resid      7   and name  HA )    2.03105 0.2  0.2 
assign (resid   8   and name  HN)  (resid      8   and name  HA )     2.61014 0.1  0.2 
assign (resid   8   and name  HN)  (resid      8   and name  HB1 )    2.44585 0.3  0.3 
assign (resid   8   and name  HN)  (resid      8   and name  HB2 )    2.49466 0.3  0.3 
assign (resid   9   and name  HN)  (resid      8   and name  HA )    2.0229   0.2  0.2 
assign (resid   9   and name  HN)  (resid      9   and name  HA )    2.00724 0.2  0.6 
assign (resid   9   and name  HN)  (resid      9   and name  HB1 )    2.32183 0.3  0.7 
assign (resid   9   and name  HN)  (resid      9   and name  HB2 )    2.32183 0.3  0.7 
assign (resid   10   and name  HN)  (resid      9   and name  HB1 )    3.5 0.3 1.5
assign (resid   10   and name  HN)  (resid      9   and name  HB2 )    3.5 0.3 1.5
assign (resid   10   and name  HN)  (resid      9   and name  HA )    2.7398 0.45  0.3
assign (resid   10   and name  HN)  (resid      10   and name  HA2 )    2.1398 0.2  0.45 
assign (resid   10   and name  HN)  (resid      10   and name  HA1 )    2.2624 0.2  0.55
assign (resid   10   and name  HN)  (resid      10   and name  HA# )    2.1324 0.2  0.2
assign (resid   11   and name  HN)  (resid      10   and name  HA2 )    2.4309 0.2  0.5 
assign (resid   11   and name  HN)  (resid      10   and name  HA1 )    2.6223 0.2  0.5 
assign (resid   11   and name  HN)  (resid      11   and name  HB# )    2.3771 0.3  0.3 
assign (resid   11   and name  HN)  (resid      11   and name  HB# )    2.4667 0.3  0.3 
assign (resid   11   and name  HN)  (resid      11   and name  HG# )    2.4613 0.3  0.3 
assign (resid   12   and name  HN)  (resid      11   and name  HA )    1.85099 0.2  0.4
assign (resid   12   and name  HN)  (resid      11   and name  HB# )    2.7829 0.3  0.3 
assign (resid   12   and name  HN)  (resid      12   and name  HB# )    3.1706 0.5  0.5 
assign (resid   12   and name  HN)  (resid      22   and name  HB# )    3.2311 0.4  0.3 
assign (resid   12   and name  HN)  (resid      22   and name  HD## )    2.696 0.3  1.7
assign (resid   12   and name  HN)  (resid      23   and name  HB# )    2.4358 0.3  0.3 
assign (resid   13   and name  HD#)  (resid      13   and name  HA )    3.0831 0.3  0.3 
assign (resid   13   and name  HD#)  (resid      13   and name  HB# )    2.215 0.3  0.3 
assign (resid   13   and name  HD#)  (resid      13   and name  HB# )    2.320 0.3  0.3 
assign (resid   13   and name  HD#)  (resid      13   and name  HB1 )    2.475 0.3  0.3 
assign (resid   13   and name  HD#)  (resid      13   and name  HB2 )    2.556 0.3  0.3 
assign (resid   13   and name  HD#)  (resid      20   and name  HB# )    2.935 0.3  0.5
assign (resid   13   and name  HD#)  (resid      22   and name  HA )    2.6509 0.3  0.3 
assign (resid   13   and name  HD#)  (resid      22   and name  HA )    3.2675 0.3  0.3 
assign (resid   13   and name  HE#)  (resid      11   and name  HB# )    2.668 0.3  0.3 
assign (resid   13   and name  HE#)  (resid      22   and name  HB# )    2.897 0.3  0.3 
assign (resid   13   and name  HE#)  (resid      22   and name  HD## )    2.76 0.3  0.3 
assign (resid   13   and name  HE#)  (resid      22   and name  HG )    2.4707 0.3  0.3 
assign (resid   13   and name  HN)  (resid      12   and name  HA )    2.07009 0.3  0.3 
assign (resid   13   and name  HN)  (resid      12   and name  HA )    2.38392 0.3  0.3 
assign (resid   13   and name  HN)  (resid      12   and name  HB# )    3.1899 0.3  0.3 
assign (resid   13   and name  HN)  (resid      13   and name  HA )    2.76519 0.2  0.2 
assign (resid   13   and name  HN)  (resid      13   and name  HB1 )    3.0302 0.3  0.5 
assign (resid   13   and name  HN)  (resid      13   and name  HB2 )    2.3985 0.3  0.3 
assign (resid   13   and name  HN)  (resid      13   and name  HD2 )    2.9987 0.3  0.3 
assign (resid   13   and name  HN)  (resid      22   and name  HB# )    3.3432 0.3  0.3 
assign (resid   13   and name  HN)  (resid      22   and name  HD## )    3.503 0.4  0.8 
assign (resid   13   and name  HN)  (resid      22   and name  HD1# )    3.508 0.3  1.0 
assign (resid   14   and name  HN)  (resid      13   and name  HA )    2.1988 0.2  0.3 
assign (resid   14   and name  HN)  (resid      13   and name  HA )    2.33067 0.3  0.3 
assign (resid   14   and name  HN)  (resid      13   and name  HB# )    2.8278 0.3  0.3 
assign (resid   14   and name  HN)  (resid      13   and name  HB# )    3.0319 0.2  0.3 
assign (resid   14   and name  HN)  (resid      13   and name  HB1 )    3.3823 0.2  0.2 
assign (resid   14   and name  HN)  (resid      14   and name  HA )    2.59173 0.3  0.3 
assign (resid   14   and name  HN)  (resid      14   and name  HA )    2.67916 0.3  0.3 
assign (resid   14   and name  HN)  (resid      14   and name  HB )    2.71216 0.3  0.3 
assign (resid   14   and name  HN)  (resid      14   and name  HB )    3.23115 0.3  0.3 
assign (resid   14   and name  HN)  (resid      14   and name  HG## )    2.453 0.3  0.3 
assign (resid   14   and name  HN)  (resid      14   and name  HG## )    2.845 0.3  0.3 
assign (resid   15   and name  HN)  (resid      14   and name  HA )    1.9676 0.3  0.3 
assign (resid   15   and name  HN)  (resid      14   and name  HA )    2.20879 0.3  0.3 
assign (resid   15   and name  HN)  (resid      14   and name  HB )    2.34364 0.3  0.4 
assign (resid   15   and name  HN)  (resid      14   and name  HB )    2.60341 0.3  0.3 
assign (resid   15   and name  HN)  (resid      14   and name  HG## )    2.316 0.3  0.3 
assign (resid   15   and name  HN)  (resid      15   and name  HA )    2.66733 0.2  0.2 
assign (resid   15   and name  HN)  (resid      15   and name  HB2 )    2.3474 0.3  0.3 
assign (resid   15   and name  HN)  (resid      15   and name  HB1 )    2.7791 0.3  0.3 
assign (resid   15   and name  HN)  (resid      15   and name  HG# )    2.9939 0.3  0.6 
assign (resid   16   and name  HN)  (resid      14   and name  HB )    3.56431 0.3  0.3 
assign (resid   16   and name  HN)  (resid      15   and name  HA )    1.9177 0.2  0.3 
assign (resid   16   and name  HN)  (resid      15   and name  HB# )    2.6893 0.3  1.0
assign (resid   16   and name  HN)  (resid      15   and name  HB# )    3.3861 0.3  0.5 
assign (resid   16   and name  HN)  (resid      15   and name  HG# )    2.9594 0.3  0.4     
assign (resid   16   and name  HN)  (resid      15   and name  HG# )    3.0831 0.3  0.4 
assign (resid   16   and name  HN)  (resid      16   and name  HA )    2.14298 0.3  0.7
assign (resid   16   and name  HN)  (resid      16   and name  HB# )    2.6678 0.3  0.3 
assign (resid   16   and name  HN)  (resid      16   and name  HB# )    2.8798 0.3  0.3 
assign (resid   16   and name  HN)  (resid      16   and name  HD# )    3.0513 0.3  0.3 
assign (resid   16   and name  HN)  (resid      16   and name  HG# )    2.7414 0.3  0.3 
assign (resid   16   and name  HN)  (resid      19   and name  HN )    3.09489 0.1  0.25 
assign (resid   16   and name  HN)  (resid      20   and name  HA )    2.83921 0.3  0.3 
assign (resid   16   and name  HN)  (resid      20   and name  HA )    3.38237 0.3  0.3 
assign (resid   16   and name  HN)  (resid      21   and name  HG## )    2.721 0.3  0.3 
assign (resid   17   and name  HN)  (resid      16   and name  HA )    2.06308 0.3  0.5 
assign (resid   17   and name  HN)  (resid      16   and name  HB1 )    3.5232 0.4  0.3 
assign (resid   17   and name  HN)  (resid      16   and name  HB2 )    3.3466 0.3  0.3 
assign (resid   17   and name  HN)  (resid      16   and name  HG# )    3.4051 0.5 1.0
assign (resid   17   and name  HN)  (resid      17   and name  HA )    2.14286 0.1  0.3
assign (resid   17   and name  HN)  (resid      16  and name  HA )    2.14286 0.1  0.3  
assign (resid   17   and name  HN)  (resid      17   and name  HB# )    2.6898 0.3  0.3 
assign (resid   17   and name  HN)  (resid      17   and name  HB1 )    3.2448 0.2  0.2 
assign (resid   17   and name  HN)  (resid      17   and name  HB2 )    3.2420 0.2  0.2 
assign (resid   17   and name  HN)  (resid      18   and name  HN )    2.85306 0.5  0.2 
assign (resid   17   and name  HN)  (resid      16   and name  HN )    3.45 0.4  1.0 
assign (resid   18   and name  HN)  (resid      17   and name  HA )    2.95416 0.2  0.2 
assign (resid   18   and name  HN)  (resid      16   and name  HA )    2.62416 0.3  0.7 
assign (resid   18   and name  HN)  (resid      17   and name  HB1 )    3.4806 0.2  0.9 
assign (resid   18   and name  HN)  (resid      17   and name  HB2 )    3.5589 0.2  0.9 
assign (resid   18   and name  HN)  (resid      18   and name  HA2 )    2.1893 0.1  0.1 
assign (resid   18   and name  HN)  (resid      18   and name  HA1 )    2.6950 0.3  0.3 
assign (resid   18   and name  HN)  (resid      19   and name  HN )    2.76803 0.1  0.25 
assign (resid   19   and name  HN)  (resid      19   and name  HA )    2.42378 0.3  0.3 
assign (resid   19   and name  HN)  (resid      19   and name  HB2 )    2.7240 0.3  0.3 
assign (resid   19   and name  HN)  (resid      19   and name  HB1 )    3.5086 0.3  0.3 
assign (resid   19   and name  HN)  (resid      19   and name  HG1 )    2.5313 0.3  0.3 
assign (resid   19   and name  HN)  (resid      19   and name  HG2 )    3.2365 0.3  0.3 
assign (resid   20   and name  HA)  (resid      15   and name  HB# )    2.8122 0.3  1.3 
assign (resid   20   and name  HD1)  (resid      20   and name  HB# )    2.228 0.3  0.7
assign (resid   20   and name  HD1)  (resid      20   and name  HN )    3.0459 0.3  0.3 
assign (resid   20   and name  HE3)  (resid      13   and name  HB1 )    2.212 0.3  0.3 
assign (resid   20   and name  HE3)  (resid      13   and name  HB1 )    3.023 0.3  0.3 
assign (resid   20   and name  HE3)  (resid      13   and name  HB2 )     2.81 0.3  0.3 
assign (resid   20   and name  HE3)  (resid      13   and name  HB2 )    2.572 0.3  0.3 
assign (resid   20   and name  HE3)  (resid      14   and name  HN )    3.5086 0.3  0.3 
assign (resid   20   and name  HE3)  (resid      15   and name  HA )    2.7641 0.3  0.3 
assign (resid   20   and name  HE3)  (resid      15   and name  HG# )    2.812 0.3  0.3 
assign (resid   20   and name  HE3)  (resid      16   and name  HN )    3.5861 0.3  1.0 
assign (resid   20   and name  HE3)  (resid      20   and name  HA )    2.3688 0.3  0.3 
assign (resid   20   and name  HE3)  (resid      20   and name  HA )    2.6744 0.3  0.3 
assign (resid   20   and name  HE3)  (resid      20   and name  HB# )    2.678 0.3  0.3 
assign (resid   20   and name  HE3)  (resid      21   and name  HN )    3.3750 0.3  0.3 
assign (resid   20   and name  HN)  (resid      19   and name  HA )    2.2708 0.3  0.3 
assign (resid   20   and name  HN)  (resid      19   and name  HB# )    2.6101 0.3  0.3 
assign (resid   20   and name  HN)  (resid      19   and name  HG# )    3.4541 0.3  0.3 
assign (resid   20   and name  HN)  (resid      19   and name  HN )    3.4499 0.4  0.8 
assign (resid   20   and name  HN)  (resid      20   and name  HA )    2.33342 0.3  0.4 
assign (resid   20   and name  HN)  (resid      20   and name  HA )    2.63489 0.3  0.3 
assign (resid   20   and name  HN)  (resid      20   and name  HB2 )    2.3334 0.3  0.3 
assign (resid   20   and name  HN)  (resid      20   and name  HB1 )    3.1029 0.4  0.4 
assign (resid   20   and name  HZ3)  (resid      13   and name  HB2 )    3.378 0.3  0.6 
assign (resid   20   and name  HZ3)  (resid      14   and name  HA )    3.1322 0.3  0.3 
assign (resid   20   and name  HZ3)  (resid      15   and name  HB# )    3.343 0.3  0.3 
assign (resid   20   and name  HZ3)  (resid      15   and name  HG# )    3.152 0.3  0.3 
assign (resid   20   and name  HZ3)  (resid      20   and name  HA )    3.4852 0.3  0.8 
assign (resid   21   and name  HN)  (resid      16   and name  HG# )    3.4051 0.3  0.3 
assign (resid   21   and name  HN)  (resid      20   and name  HA )    2.20486 0.3  0.3 
assign (resid   21   and name  HN)  (resid      20   and name  HA )    2.35331 0.3  0.3 
assign (resid   21   and name  HN)  (resid      20   and name  HB# )    3.2503 0.3  0.3 
assign (resid   21   and name  HN)  (resid      21   and name  HA )    2.35124 0.3  0.5 
assign (resid   21   and name  HN)  (resid      21   and name  HA )    2.83758 0.3  0.3 
assign (resid   21   and name  HN)  (resid      21   and name  HB )    3.0989 0.3  0.3 
assign (resid   21   and name  HN)  (resid      21   and name  HG## )    2.435 0.3  0.3 
assign (resid   21   and name  HN)  (resid      21   and name  HG## )    2.811 0.3  0.3 
assign (resid   22   and name  HA)  (resid      13   and name  HA )    2.33519 0.3  0.3 
assign (resid   22   and name  HD2#)  (resid      13   and name  HE# )    3.53 0.3  0.9
assign (resid   22   and name  HD1#)  (resid      13   and name  HE# )    3.18 0.3  0.4 
assign (resid   22   and name  HG)  (resid      13   and name  HE# )    3.0200 0.3  0.3 
assign (resid   22   and name  HN)  (resid      21   and name  HA )    1.9177 0.3  0.3 
assign (resid   22   and name  HN)  (resid      21   and name  HA )    2.19054 0.3  0.3 
assign (resid   22   and name  HN)  (resid      21   and name  HB )    2.85081 0.3  0.4 
assign (resid   22   and name  HN)  (resid      21   and name  HG## )    2.464 0.3  0.3 
assign (resid   22   and name  HN)  (resid      21   and name  HG1# )    3.010 0.3  0.3 
assign (resid   22   and name  HN)  (resid      22   and name  HA )    2.59058 0.3  0.3 
assign (resid   22   and name  HN)  (resid      22   and name  HA )    2.61014 0.3  0.3 
assign (resid   22   and name  HN)  (resid      22   and name  HB1 )    2.3148 0.3  1.0 
assign (resid   22   and name  HN)  (resid      22   and name  HB2 )    2.6673 0.3  0.6 
assign (resid   22   and name  HN)  (resid      22   and name  HG )    2.54028 0.4  0.9 
assign (resid   23   and name  HN)  (resid      13   and name  HA )    2.86137 0.3  0.5 
assign (resid   23   and name  HN)  (resid      13   and name  HA )    2.99714 0.3  0.3 
assign (resid   23   and name  HN)  (resid      22   and name  HA )    1.92518 0.3  0.3 
assign (resid   23   and name  HN)  (resid      22   and name  HA )    2.19411 0.3  0.3 
assign (resid   23   and name  HN)  (resid      22   and name  HD1# )    3.159 0.3  0.9 
assign (resid   23   and name  HN)  (resid      22   and name  HD2# )    3.220 0.4  1.0 
assign (resid   23   and name  HN)  (resid      23   and name  HA )    2.67016 0.3  0.3 
assign (resid   23   and name  HN)  (resid      12   and name  HB# )    3.220 
0.4  1.0 
assign (resid   12   and name  HN)  (resid      23   and name  HD## )    3.520 0.4  1.0 
assign (resid   23   and name  HN)  (resid      23   and name  HB# )    2.1509 0.3  0.3 
assign (resid   23   and name  HN)  (resid      23   and name  HB# )    2.5368 0.3  0.3 
assign (resid   23   and name  HN)  (resid      23   and name  HD## )    2.880 0.3  0.3 
assign (resid   24   and name  HN)  (resid      23   and name  HA )    2.95998 0.3  0.2 
assign (resid   24   and name  HN)  (resid      24   and name  HB# )    2.3380 0.3  0.3 
assign (resid   24   and name  HN)  (resid      24   and name  HB# )    2.4889 0.3  0.3 
assign (resid   25   and name  HN)  (resid      25   and name  HA )    2.61415 0.3  0.3 
assign (resid   25   and name  HN)  (resid      25   and name  HB# )    2.7121 0.3  0.3 
assign (resid   26   and name  HD#)  (resid      26   and name  HB# )    2.215 0.3  0.3 
assign (resid   26   and name  HD#)  (resid      26   and name  HB# )    2.215 0.3  0.3 
assign (resid   26   and name  HD#)  (resid      27   and name  HB# )    2.927 0.3  0.3 
assign (resid   26   and name  HD#)  (resid      27   and name  HD## )    3.21 0.3  0.3 
assign (resid   26   and name  HN)  (resid      26   and name  HB# )    2.3771 0.3  0.3 
assign (resid   27   and name  HN)  (resid      27   and name  HB# )    2.4008 0.3  0.3 
assign (resid   9   and name  HN)  (resid    8    and name  HB1 )    2.79951  0.2  0.65
assign (resid   9   and name  HN)  (resid    8    and name  HB2 )    2.92799  0.2  0.7
assign (resid   12   and name  HN)  (resid    23   and name  HD## )    3.01595  0.35  1.2
assign (resid   26   and name  HN)  (resid    25  and name  HB# )    2.72435  0.9  0.9
assign (resid   8   and name  HN)  (resid   9   and name  HB# )    2.87137  0.8  1.7
assign (resid   19   and name  HN)  (resid      16   and name  HA )    3.60791  0.5  1.0
assign (resid   19   and name  HN)  (resid      17   and name  HA )    3.60791  0.5  1.0
assign (resid   11   and name  HN)  (resid    9   and name  HA )    3.01595  0.2  1.1
                                  
assign (resid   2  and name C ) (resid   3 and name N)
       (resid   3  and name CA) (resid   3 and name C)  8.0301  1.0000
                                  
assign (resid   4  and name C ) (resid   5 and name N)
       (resid   5  and name CA) (resid   5 and name C)  6.6121  1.0000
                                  
assign (resid   5  and name C ) (resid   6 and name N)
       (resid   6  and name CA) (resid   6 and name C)  5.3150  1.0000
                                  
assign (resid   7  and name C ) (resid   8 and name N)
       (resid   8  and name CA) (resid   8 and name C)  6.7222  1.0000
                                  
assign (resid   8  and name C ) (resid   9 and name N)
       (resid   9  and name CA) (resid   9 and name C)  6.5759  1.0000
                                  
assign (resid  10  and name C ) (resid  11 and name N)
       (resid  11  and name CA) (resid  11 and name C)  7.0702  1.0000
                                                                    
assign (resid  12  and name C ) (resid  13 and name N)
       (resid  13  and name CA) (resid  13 and name C)  8.4509  1.0000
                                  
assign (resid  13  and name C ) (resid  14 and name N)
       (resid  14  and name CA) (resid  14 and name C)  8.9791  1.0000
                                  
assign (resid  14  and name C ) (resid  15 and name N)
       (resid  15  and name CA) (resid  15 and name C)  7.3848  1.0000
                                  
assign (resid  15  and name C ) (resid  16 and name N)
       (resid  16  and name CA) (resid  16 and name C)  7.3716  1.0000
                                  
assign (resid  16  and name C ) (resid  17 and name N)
       (resid  17  and name CA) (resid  17 and name C)  6.5981  1.0000
                                  
assign (resid  18  and name C ) (resid  19 and name N)
       (resid  19  and name CA) (resid  19 and name C)  8.2773  1.0000
                                  
assign (resid  19  and name C ) (resid  20 and name N)
       (resid  20  and name CA) (resid  20 and name C)  7.1058  1.0000
                                  
assign (resid  20  and name C ) (resid  21 and name N)
       (resid  21  and name CA) (resid  21 and name C)  9.1476  1.0000
                                  
assign (resid  21  and name C ) (resid  22 and name N)
       (resid  22  and name CA) (resid  22 and name C)  5.9937  1.0000
                                  
assign (resid  22  and name C ) (resid  23 and name N)
       (resid  23  and name CA) (resid  23 and name C)  6.1037  1.0000
                                  
assign (resid  23  and name C ) (resid  24 and name N)
       (resid  24  and name CA) (resid  24 and name C)  5.8659  1.0000
                                  
assign (resid  24  and name C ) (resid  25 and name N)
       (resid  25  and name CA) (resid  25 and name C)  7.0222  1.0000
                                  
assign (resid  25  and name C ) (resid  26 and name N)
       (resid  26  and name CA) (resid  26 and name C)  7.2964  1.0000
                                  
assign (resid  26  and name C ) (resid  27 and name N)
       (resid  27  and name CA) (resid  27 and name C)  7.5840  1.0000
                                  
assign (resid  -1  and name C ) (resid   0 and name N)
       (resid   0  and name CA) (resid   0 and name C)
       (resid   1 and name N)                                 58.388   64.021
                                  
assign (resid   0  and name C ) (resid   1 and name N)
       (resid   1  and name CA) (resid   1 and name C)
       (resid   2 and name N)                                 45.108  999.000
                                  
assign (resid   1  and name C ) (resid   2 and name N)
       (resid   2  and name CA) (resid   2 and name C)
       (resid   3 and name N)                                 57.863   39.117
                                  
assign (resid   2  and name C ) (resid   3 and name N)
       (resid   3  and name CA) (resid   3 and name C)
       (resid   4 and name N)                                 57.892   39.209
                                  
assign (resid   3  and name C ) (resid   4 and name N)
       (resid   4  and name CA) (resid   4 and name C)
       (resid   5 and name N)                                 62.885   31.977
                                  
assign (resid   4  and name C ) (resid   5 and name N)
       (resid   5  and name CA) (resid   5 and name C)
       (resid   6 and name N)                                 55.335   29.099
                                  
assign (resid   5  and name C ) (resid   6 and name N)
       (resid   6  and name CA) (resid   6 and name C)
       (resid   7 and name N)                                 50.397   17.969
                                  
assign (resid   6  and name C ) (resid   7 and name N)
       (resid   7  and name CA) (resid   7 and name C)
       (resid   8 and name N)                                 63.019   32.029
                                  
assign (resid   7  and name C ) (resid   8 and name N)
       (resid   8  and name CA) (resid   8 and name C)
       (resid   9 and name N)                                 55.739   30.627
                                  
assign (resid   8  and name C ) (resid   9 and name N)
       (resid   9  and name CA) (resid   9 and name C)
       (resid  10 and name N)                                 53.050   38.078
                                  
assign (resid   9  and name C ) (resid  10 and name N)
       (resid  10  and name CA) (resid  10 and name C)
       (resid  11 and name N)                                 45.624  999.000
                                  
assign (resid  10  and name C ) (resid  11 and name N)
       (resid  11  and name CA) (resid  11 and name C)
       (resid  12 and name N)                                 55.453   30.215
                                  
assign (resid  11  and name C ) (resid  12 and name N)
       (resid  12  and name CA) (resid  12 and name C)
       (resid  13 and name N)                                 51.961   20.276
                                  
assign (resid  12  and name C ) (resid  13 and name N)
       (resid  13  and name CA) (resid  13 and name C)
       (resid  14 and name N)                                 57.529   41.567
                                  
assign (resid  13  and name C ) (resid  14 and name N)
       (resid  14  and name CA) (resid  14 and name C)
       (resid  15 and name N)                                 60.111   35.066
                                  
assign (resid  14  and name C ) (resid  15 and name N)
       (resid  15  and name CA) (resid  15 and name C)
       (resid  16 and name N)                                 54.832   30.141
                                  
assign (resid  15  and name C ) (resid  16 and name N)
       (resid  16  and name CA) (resid  16 and name C)
       (resid  17 and name N)                                 55.770   29.246
                                  
assign (resid  16  and name C ) (resid  17 and name N)
       (resid  17  and name CA) (resid  17 and name C)
       (resid  18 and name N)                                 53.832   37.229
                                  
assign (resid  17  and name C ) (resid  18 and name N)
       (resid  18  and name CA) (resid  18 and name C)
       (resid  19 and name N)                                 45.497  999.000
                                  
assign (resid  18  and name C ) (resid  19 and name N)
       (resid  19  and name CA) (resid  19 and name C)
       (resid  20 and name N)                                 53.728   30.611
                                  
assign (resid  19  and name C ) (resid  20 and name N)
       (resid  20  and name CA) (resid  20 and name C)
       (resid  21 and name N)                                 56.886   29.604
                                  
assign (resid  20  and name C ) (resid  21 and name N)
       (resid  21  and name CA) (resid  21 and name C)
       (resid  22 and name N)                                 60.497   34.798
                                  
assign (resid  21  and name C ) (resid  22 and name N)
       (resid  22  and name CA) (resid  22 and name C)
       (resid  23 and name N)                                 54.956   42.537
                                  
assign (resid  22  and name C ) (resid  23 and name N)
       (resid  23  and name CA) (resid  23 and name C)
       (resid  24 and name N)                                 55.643   42.868
                                  
assign (resid  23  and name C ) (resid  24 and name N)
       (resid  24  and name CA) (resid  24 and name C)
       (resid  25 and name N)                                 58.696   63.552
                                  
assign (resid  24  and name C ) (resid  25 and name N)
       (resid  25  and name CA) (resid  25 and name C)
       (resid  26 and name N)                                 62.114   69.594
                                  
assign (resid  25  and name C ) (resid  26 and name N)
       (resid  26  and name CA) (resid  26 and name C)
       (resid  27 and name N)                                 57.737   39.798
                                  
assign (resid  26  and name C ) (resid  27 and name N)
       (resid  27  and name CA) (resid  27 and name C)
       (resid  28 and name N)                                 54.153   42.232

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )       
( resid   4  and name CA  )
       ( resid   4  and name HA  )  -6.407   0.500
                                                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )       
( resid   8  and name CA  )
       ( resid   8  and name HA  )  -6.174   1.000
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )       
( resid   9  and name CA  )
       ( resid   9  and name HA  )  -4.114   1.000
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )       
( resid  11  and name CA  )
       ( resid  11  and name HA  )  -6.640   1.000
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )       
( resid  12  and name CA  )
       ( resid  12  and name HA  )  -9.150   1.000
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )       
( resid  13  and name CA  )
       ( resid  13  and name HA  )   6.867   1.000
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )       
( resid  14  and name CA  )
       ( resid  14  and name HA  )   7.095   1.000
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )       
( resid  15  and name CA  )
       ( resid  15  and name HA  )   2.287   1.000
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )       
( resid  16  and name CA  )
       ( resid  16  and name HA  )  -1.144   1.000
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )       
( resid  17  and name CA  )
       ( resid  17  and name HA  )  -2.520   1.000
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )       
( resid  19  and name CA  )
       ( resid  19  and name HA  ) -12.126   1.000
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )       
( resid  20  and name CA  )
       ( resid  20  and name HA  )   1.832   1.000
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )       
( resid  21  and name CA  )
       ( resid  21  and name HA  )   3.431   1.000
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )       
( resid  22  and name CA  )
       ( resid  22  and name HA  )   6.422   1.000
                                                                    
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )       
( resid   8  and name N   )
       ( resid   8  and name HN  )  -5.130  -0.021
                                                                    
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )       
( resid   9  and name N   )
       ( resid   9  and name HN  )  -2.311  -0.033
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )       
( resid  10  and name N   )
       ( resid  10  and name HN  )  -1.124  -0.223
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )       
( resid  11  and name N   )
       ( resid  11  and name HN  )  -2.798  -0.412
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )       
( resid  12  and name N   )
       ( resid  12  and name HN  )  -4.646  -0.562
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )       
( resid  13  and name N   )
       ( resid  13  and name HN  )   4.347   0.109
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )       
( resid  14  and name N   )
       ( resid  14  and name HN  )  10.951   0.053
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )       
( resid  15  and name N   )
       ( resid  15  and name HN  )   9.811  -0.301
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )       
( resid  16  and name N   )
       ( resid  16  and name HN  )  -3.431   0.480
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )       
( resid  17  and name N   )
       ( resid  17  and name HN  )   1.821   0.390
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )       
( resid  18  and name N   )
       ( resid  18  and name HN  )   6.874  -0.548
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )       
( resid  19  and name N   )
       ( resid  19  and name HN  )  -8.810  -0.150
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )       
( resid  20  and name N   )
       ( resid  20  and name HN  )  -2.629  -0.468
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )       
( resid  21  and name N   )
       ( resid  21  and name HN  )   7.443   0.385
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )       
( resid  22  and name N   )
       ( resid  22  and name HN  )  11.010   0.319
                                  
                                  
assign ( resid   2  and name C   )
       ( resid   3  and name N   )
       ( resid   3  and name CA  )
       ( resid   3  and name C   )   0.4  -97.49   24.14     2
assign ( resid   3  and name N   )
       ( resid   3  and name CA  )
       ( resid   3  and name C   )
       ( resid   4  and name N   )   0.4  114.13   16.13     2

assign ( resid   8  and name C   )
       ( resid   9  and name N   )
       ( resid   9  and name CA  )
       ( resid   9  and name C   )   0.1  -89.48   20.14     2
assign ( resid   9  and name N   )
       ( resid   9  and name CA  )
       ( resid   9  and name C   )
       ( resid  10  and name N   )   0.2   -1    10.01     2
 
assign ( resid  10  and name N   )
       ( resid  10  and name CA  )
       ( resid  10  and name C   )
       ( resid  11  and name N   )   0.2   11.60    10.01     2
                                  
assign ( resid  10  and name C   )
       ( resid  11  and name N   )
       ( resid  11  and name CA  )
       ( resid  11  and name C   )   0.4 -102.86   22.28     2
assign ( resid  11  and name N   )
       ( resid  11  and name CA  )
       ( resid  11  and name C   )
       ( resid  12  and name N   )   0.4  132.76   20.08     2

assign ( resid  12  and name N   )
       ( resid  12  and name CA  )
       ( resid  12  and name C   )
       ( resid  13  and name N   )   0.4  135.38   20.95     2
                                  
assign ( resid  12  and name C   )
       ( resid  13  and name N   )
       ( resid  13  and name CA  )
       ( resid  13  and name C   )   0.4  -98.27   20.26     2
assign ( resid  13  and name N   )
       ( resid  13  and name CA  )
       ( resid  13  and name C   )
       ( resid  14  and name N   )   0.4  139.56   11.14     2
                                  
assign ( resid  13  and name C   )
       ( resid  14  and name N   )
       ( resid  14  and name CA  )
       ( resid  14  and name C   )   0.4 -114.53   23.38     2
assign ( resid  14  and name N   )
       ( resid  14  and name CA  )
       ( resid  14  and name C   )
       ( resid  15  and name N   )   0.4  144.30   22.35     2
                                  
assign ( resid  14  and name C   )
       ( resid  15  and name N   )
       ( resid  15  and name CA  )
       ( resid  15  and name C   )   0.4  -99.19   20.42     2
assign ( resid  15  and name N   )
       ( resid  15  and name CA  )
       ( resid  15  and name C   )
       ( resid  16  and name N   )   0.4  122.18   23.13     2
                                  
assign ( resid  15  and name C   )
       ( resid  16  and name N   )
       ( resid  16  and name CA  )
       ( resid  16  and name C   )   0.4  -91.89   15.23     2
assign ( resid  16  and name N   )
       ( resid  16  and name CA  )
       ( resid  16  and name C   )
       ( resid  17  and name N   )   0.4  113.04   21.20     2
                                  
assign ( resid  18  and name C   )
       ( resid  19  and name N   )
       ( resid  19  and name CA  )
       ( resid  19  and name C   )   0.4 -112.45   14.06     2
assign ( resid  19  and name N   )
       ( resid  19  and name CA  )
       ( resid  19  and name C   )
       ( resid  20  and name N   )   0.4  141.82   18.56     2
                                  
assign ( resid  19  and name C   )
       ( resid  20  and name N   )
       ( resid  20  and name CA  )
       ( resid  20  and name C   )   0.4  -92.55   22.84     2
assign ( resid  21  and name N   )
       ( resid  21  and name CA  )
       ( resid  21  and name C   )
       ( resid  22  and name N   )   0.4  137.86   26.55     2
                                  
assign ( resid  21  and name C   )
       ( resid  22  and name N   )
       ( resid  22  and name CA  )
       ( resid  22  and name C   )   0.4  -78.73   11.29     2
assign ( resid  22  and name N   )
       ( resid  22  and name CA  )
       ( resid  22  and name C   )
       ( resid  23  and name N   )   0.4  124.36   19.78     2
                                  
assign ( resid  22  and name C   )
       ( resid  23  and name N   )
       ( resid  23  and name CA  )
       ( resid  23  and name C   )   0.4  -86.83   27.74     2
                               
assign ( resid  24  and name C   )
       ( resid  25  and name N   )
       ( resid  25  and name CA  )
       ( resid  25  and name C   )   0.4  -87.54   14.63     2
                                  
assign ( resid  25  and name C   )
       ( resid  26  and name N   )
       ( resid  26  and name CA  )
       ( resid  26  and name C   )   0.2 -106.16   18.54     2



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1H        GLY   1  -7.868 -13.667  15.494
    2   1HA   GLY   1          2HA       GLY   1  -5.029 -14.282  16.050
    3   2HA   GLY   1          1HA       GLY   1  -6.284 -15.507  15.950
    4    H    TYR   2           H        TYR   2  -7.578 -15.239  13.744
    5    HA   TYR   2           HA       TYR   2  -5.704 -15.886  11.701
    6   1HB   TYR   2          2HB       TYR   2  -8.078 -16.797  11.988
    7   2HB   TYR   2          1HB       TYR   2  -8.629 -15.287  11.270
    8    HD1  TYR   2           1HD      TYR   2  -9.324 -15.631   9.101
    9    HD2  TYR   2           2HD      TYR   2  -5.839 -17.651  10.471
   10    HE1  TYR   2           1HE      TYR   2  -8.999 -16.581   6.857
   11    HE2  TYR   2           2HE      TYR   2  -5.505 -18.605   8.230
   12    HH   TYR   2           HH       TYR   2  -7.507 -19.025   6.091
   13    H    ILE   3           H        ILE   3  -5.031 -14.724   9.948
   14    HA   ILE   3           HA       ILE   3  -5.567 -11.874  10.016
   15    HB   ILE   3           HB       ILE   3  -3.435 -13.211   8.379
   16   1HG1  ILE   3          2HG1      ILE   3  -3.414 -12.429  11.287
   17   2HG1  ILE   3          1HG1      ILE   3  -2.892 -13.940  10.555
   18   1HG2  ILE   3          1HG2      ILE   3  -3.093 -10.516   9.530
   19   2HG2  ILE   3          2HG2      ILE   3  -4.326 -10.678   8.281
   20   3HG2  ILE   3          3HG2      ILE   3  -2.658 -11.137   7.937
   21   1HD1  ILE   3          1HD1      ILE   3  -1.436 -11.419  10.936
   22   2HD1  ILE   3          2HD1      ILE   3  -1.171 -12.228   9.391
   23   3HD1  ILE   3          3HD1      ILE   3  -0.850 -13.082  10.901
   24    HA   PRO   4           HA       PRO   4  -7.932 -12.872   6.255
   25   1HB   PRO   4          2HB       PRO   4  -9.845 -11.040   6.540
   26   2HB   PRO   4          1HB       PRO   4  -9.826 -12.494   7.547
   27   1HG   PRO   4          2HG       PRO   4  -8.958  -9.712   8.218
   28   2HG   PRO   4          1HG       PRO   4  -9.852 -10.877   9.210
   29   1HD   PRO   4          2HD       PRO   4  -7.128 -10.404   9.391
   30   2HD   PRO   4          1HD       PRO   4  -7.944 -11.876   9.947
   31    H    GLU   5           H        GLU   5  -7.134 -12.163   4.370
   32    HA   GLU   5           HA       GLU   5  -5.850  -9.664   4.105
   33   1HB   GLU   5          2HB       GLU   5  -5.631 -10.308   1.700
   34   2HB   GLU   5          1HB       GLU   5  -5.009 -11.507   2.826
   35   1HG   GLU   5          2HG       GLU   5  -7.821 -11.846   2.021
   36   2HG   GLU   5          1HG       GLU   5  -6.618 -12.077   0.752
   37    H    ALA   6           H        ALA   6  -7.462  -8.158   4.634
   38    HA   ALA   6           HA       ALA   6  -9.926  -7.980   3.228
   39   1HB   ALA   6          1HB       ALA   6  -9.596  -5.482   4.203
   40   2HB   ALA   6          2HB       ALA   6  -8.495  -6.386   5.243
   41   3HB   ALA   6          3HB       ALA   6 -10.196  -6.842   5.152
   42    HA   PRO   7           HA       PRO   7  -8.371  -6.035  -0.463
   43   1HB   PRO   7          2HB       PRO   7 -10.728  -5.342  -1.579
   44   2HB   PRO   7          1HB       PRO   7 -10.175  -7.021  -1.514
   45   1HG   PRO   7          2HG       PRO   7 -12.132  -5.601   0.253
   46   2HG   PRO   7          1HG       PRO   7 -12.229  -7.229  -0.444
   47   1HD   PRO   7          2HD       PRO   7 -11.465  -6.749   2.128
   48   2HD   PRO   7          1HD       PRO   7 -10.894  -8.142   1.187
   49    H    ARG   8           H        ARG   8  -7.339  -4.209   0.359
   50    HA   ARG   8           HA       ARG   8  -8.960  -1.804   0.506
   51   1HB   ARG   8          2HB       ARG   8  -8.016  -2.605   2.682
   52   2HB   ARG   8          1HB       ARG   8  -6.427  -2.257   2.048
   53   1HG   ARG   8          2HG       ARG   8  -7.239  -0.463   3.476
   54   2HG   ARG   8          1HG       ARG   8  -7.020   0.081   1.815
   55   1HD   ARG   8          2HD       ARG   8  -9.080   0.979   2.659
   56   2HD   ARG   8          1HD       ARG   8  -9.452  -0.239   1.440
   57    HE   ARG   8           HE       ARG   8 -10.456  -1.509   3.062
   58   1HH1  ARG   8          1HH1      ARG   8  -8.548   0.983   4.589
   59   2HH1  ARG   8          2HH1      ARG   8  -9.168   0.661   6.174
   60   1HH2  ARG   8          1HH2      ARG   8 -11.275  -1.932   5.145
   61   2HH2  ARG   8          2HH2      ARG   8 -10.715  -0.995   6.490
   62    H    ASP   9           H        ASP   9  -7.889   0.086  -0.082
   63    HA   ASP   9           HA       ASP   9  -5.497  -0.196  -1.618
   64   1HB   ASP   9          2HB       ASP   9  -7.571  -0.624  -3.025
   65   2HB   ASP   9          1HB       ASP   9  -7.855   1.114  -2.903
   66    H    GLY  10           H        GLY  10  -6.766   1.386   0.740
   67   1HA   GLY  10          2HA       GLY  10  -5.792   3.971  -0.061
   68   2HA   GLY  10          1HA       GLY  10  -6.953   3.732   1.210
   69    H    GLN  11           H        GLN  11  -4.679   1.421   1.362
   70    HA   GLN  11           HA       GLN  11  -2.960   2.924   3.220
   71   1HB   GLN  11          2HB       GLN  11  -3.881   0.075   3.609
   72   2HB   GLN  11          1HB       GLN  11  -2.891   1.023   4.711
   73   1HG   GLN  11          2HG       GLN  11  -4.777   2.566   5.041
   74   2HG   GLN  11          1HG       GLN  11  -5.763   1.555   3.984
   75   1HE2  GLN  11          1HE2      GLN  11  -5.999   2.285   6.858
   76   2HE2  GLN  11          2HE2      GLN  11  -6.128   0.779   7.694
   77    H    ALA  12           H        ALA  12  -0.824   2.703   2.905
   78    HA   ALA  12           HA       ALA  12   0.108   0.418   1.292
   79   1HB   ALA  12          1HB       ALA  12  -0.051   2.687   0.038
   80   2HB   ALA  12          2HB       ALA  12   1.414   1.721  -0.119
   81   3HB   ALA  12          3HB       ALA  12   1.389   3.109   0.966
   82    H    TYR  13           H        TYR  13   1.853  -0.586   2.037
   83    HA   TYR  13           HA       TYR  13   3.002   0.350   4.542
   84   1HB   TYR  13          2HB       TYR  13   3.711  -2.244   3.252
   85   2HB   TYR  13          1HB       TYR  13   3.675  -1.842   4.945
   86    HD1  TYR  13           1HD      TYR  13   2.666  -4.360   3.973
   87    HD2  TYR  13           2HD      TYR  13   0.594  -0.654   4.341
   88    HE1  TYR  13           1HE      TYR  13   0.533  -5.562   4.179
   89    HE2  TYR  13           2HE      TYR  13  -1.522  -1.846   4.553
   90    HH   TYR  13           HH       TYR  13  -2.423  -4.146   3.814
   91    H    VAL  14           H        VAL  14   4.985   0.972   4.827
   92    HA   VAL  14           HA       VAL  14   6.928   0.623   2.663
   93    HB   VAL  14           HB       VAL  14   7.613   2.657   4.604
   94   1HG1  VAL  14          1HG1      VAL  14   7.964   3.878   2.277
   95   2HG1  VAL  14          2HG1      VAL  14   7.813   2.225   1.681
   96   3HG1  VAL  14          3HG1      VAL  14   9.062   2.627   2.859
   97   1HG2  VAL  14          1HG2      VAL  14   6.187   4.398   3.193
   98   2HG2  VAL  14          2HG2      VAL  14   5.527   3.634   4.636
   99   3HG2  VAL  14          3HG2      VAL  14   5.100   3.020   3.035
  100    H    ARG  15           H        ARG  15   9.090   0.340   3.555
  101    HA   ARG  15           HA       ARG  15   8.873  -1.087   6.072
  102   1HB   ARG  15          2HB       ARG  15  10.151  -1.697   3.667
  103   2HB   ARG  15          1HB       ARG  15  11.424  -1.385   4.834
  104   1HG   ARG  15          2HG       ARG  15   9.790  -2.874   6.326
  105   2HG   ARG  15          1HG       ARG  15   9.433  -3.535   4.727
  106   1HD   ARG  15          2HD       ARG  15  12.271  -3.216   5.038
  107   2HD   ARG  15          1HD       ARG  15  11.626  -4.133   6.398
  108    HE   ARG  15           HE       ARG  15  10.492  -5.361   4.301
  109   1HH1  ARG  15          1HH1      ARG  15  13.797  -4.445   4.953
  110   2HH1  ARG  15          2HH1      ARG  15  14.470  -5.747   4.033
  111   1HH2  ARG  15          1HH2      ARG  15  11.378  -7.076   3.091
  112   2HH2  ARG  15          2HH2      ARG  15  13.099  -7.240   2.976
  113    H    LYS  16           H        LYS  16   9.003   0.392   7.543
  114    HA   LYS  16           HA       LYS  16  11.368   2.141   7.542
  115   1HB   LYS  16          2HB       LYS  16   9.020   2.664   9.297
  116   2HB   LYS  16          1HB       LYS  16  10.218   3.792   8.706
  117   1HG   LYS  16          2HG       LYS  16   9.151   4.137   6.739
  118   2HG   LYS  16          1HG       LYS  16   8.472   2.512   6.677
  119   1HD   LYS  16          2HD       LYS  16   6.578   3.652   7.162
  120   2HD   LYS  16          1HD       LYS  16   7.169   3.403   8.804
  121   1HE   LYS  16          2HE       LYS  16   6.652   5.665   8.786
  122   2HE   LYS  16          1HE       LYS  16   8.385   5.653   8.469
  123   1HZ   LYS  16          1HZ       LYS  16   7.627   5.641   6.010
  124   2HZ   LYS  16          2HZ       LYS  16   7.602   7.092   6.879
  125   3HZ   LYS  16          3HZ       LYS  16   6.167   6.234   6.628
  126    H    ASP  17           H        ASP  17  12.768   2.154   9.130
  127    HA   ASP  17           HA       ASP  17  13.979   1.411  10.914
  128   1HB   ASP  17          2HB       ASP  17  12.202   2.556  12.143
  129   2HB   ASP  17          1HB       ASP  17  11.221   1.102  12.103
  130    H    GLY  18           H        GLY  18  13.176  -0.410   8.852
  131   1HA   GLY  18          2HA       GLY  18  13.555  -2.646   8.429
  132   2HA   GLY  18          1HA       GLY  18  13.914  -2.866  10.135
  133    H    GLU  19           H        GLU  19  10.919  -1.373   9.741
  134    HA   GLU  19           HA       GLU  19   9.532  -3.902   9.843
  135   1HB   GLU  19          2HB       GLU  19   8.880  -1.438  11.448
  136   2HB   GLU  19          1HB       GLU  19   8.018  -2.974  11.502
  137   1HG   GLU  19          2HG       GLU  19  10.247  -3.991  12.129
  138   2HG   GLU  19          1HG       GLU  19  10.772  -2.343  12.453
  139    H    TRP  20           H        TRP  20   7.351  -3.817   9.218
  140    HA   TRP  20           HA       TRP  20   6.980  -2.094   6.946
  141   1HB   TRP  20          2HB       TRP  20   5.464  -4.474   8.064
  142   2HB   TRP  20          1HB       TRP  20   4.836  -3.533   6.719
  143    HD1  TRP  20           HD       TRP  20   6.801  -6.535   7.339
  144    HE1  TRP  20           1HE      TRP  20   8.121  -7.214   5.231
  145    HE3  TRP  20           3HE      TRP  20   6.315  -2.212   4.700
  146    HZ2  TRP  20           2HZ      TRP  20   8.862  -6.043   2.759
  147    HZ3  TRP  20           3HZ      TRP  20   7.353  -2.068   2.497
  148    HH2  TRP  20           HH       TRP  20   8.599  -3.930   1.528
  149    H    VAL  21           H        VAL  21   5.835  -0.244   7.050
  150    HA   VAL  21           HA       VAL  21   3.638  -0.041   8.968
  151    HB   VAL  21           HB       VAL  21   4.948   2.514   8.626
  152   1HG1  VAL  21          1HG1      VAL  21   3.429   2.611  10.287
  153   2HG1  VAL  21          2HG1      VAL  21   4.807   2.121  11.272
  154   3HG1  VAL  21          3HG1      VAL  21   3.639   0.917  10.727
  155   1HG2  VAL  21          1HG2      VAL  21   6.733   1.913  10.382
  156   2HG2  VAL  21          2HG2      VAL  21   7.055   1.472   8.707
  157   3HG2  VAL  21          3HG2      VAL  21   6.502   0.249   9.850
  158    H    LEU  22           H        LEU  22   1.883   1.050   8.171
  159    HA   LEU  22           HA       LEU  22   2.043   1.705   5.386
  160   1HB   LEU  22          2HB       LEU  22  -0.623   1.979   6.230
  161   2HB   LEU  22          1HB       LEU  22   0.097   0.786   5.172
  162    HG   LEU  22           HG       LEU  22  -1.086  -0.355   6.894
  163   1HD1  LEU  22          1HD1      LEU  22   1.472  -0.909   8.066
  164   2HD1  LEU  22          2HD1      LEU  22   1.622  -0.677   6.322
  165   3HD1  LEU  22          3HD1      LEU  22   0.506  -1.890   6.962
  166   1HD2  LEU  22          1HD2      LEU  22  -1.360   0.671   8.846
  167   2HD2  LEU  22          2HD2      LEU  22  -0.021   1.773   8.514
  168   3HD2  LEU  22          3HD2      LEU  22   0.292   0.199   9.249
  169    H    LEU  23           H        LEU  23   1.395   3.380   4.429
  170    HA   LEU  23           HA       LEU  23   1.975   5.890   5.581
  171   1HB   LEU  23          2HB       LEU  23   0.867   4.950   2.987
  172   2HB   LEU  23          1HB       LEU  23   0.554   6.620   3.406
  173    HG   LEU  23           HG       LEU  23   3.233   6.451   3.899
  174   1HD1  LEU  23          1HD1      LEU  23   2.557   4.569   1.659
  175   2HD1  LEU  23          2HD1      LEU  23   3.594   4.289   3.057
  176   3HD1  LEU  23          3HD1      LEU  23   4.119   5.380   1.777
  177   1HD2  LEU  23          1HD2      LEU  23   1.555   7.396   1.644
  178   2HD2  LEU  23          2HD2      LEU  23   3.303   7.353   1.406
  179   3HD2  LEU  23          3HD2      LEU  23   2.615   8.299   2.726
  180    H    SER  24           H        SER  24  -0.045   7.634   4.740
  181    HA   SER  24           HA       SER  24  -2.512   6.800   6.023
  182   1HB   SER  24          2HB       SER  24  -0.536   8.619   7.254
  183   2HB   SER  24          1HB       SER  24  -2.211   9.172   7.303
  184    HG   SER  24           HG       SER  24  -2.548   7.775   8.822
  185    H    THR  25           H        THR  25  -4.282   8.125   5.541
  186    HA   THR  25           HA       THR  25  -4.035   9.556   3.067
  187    HB   THR  25           HB       THR  25  -6.027   8.411   3.096
  188    HG1  THR  25           1HG      THR  25  -7.047  10.754   4.272
  189   1HG2  THR  25          1HG2      THR  25  -7.574   8.935   5.279
  190   2HG2  THR  25          2HG2      THR  25  -5.966   8.786   5.984
  191   3HG2  THR  25          3HG2      THR  25  -6.630   7.470   5.017
  192    H    PHE  26           H        PHE  26  -5.857  10.690   5.910
  193    HA   PHE  26           HA       PHE  26  -5.036  13.403   5.312
  194   1HB   PHE  26          2HB       PHE  26  -7.304  12.190   6.517
  195   2HB   PHE  26          1HB       PHE  26  -6.570  13.237   7.725
  196    HD1  PHE  26           1HD      PHE  26  -9.075  13.181   5.480
  197    HD2  PHE  26           2HD      PHE  26  -5.665  15.551   6.418
  198    HE1  PHE  26           1HE      PHE  26 -10.143  15.129   4.424
  199    HE2  PHE  26           2HE      PHE  26  -6.730  17.503   5.365
  200    HZ   PHE  26           HZ       PHE  26  -8.972  17.294   4.367
  201    H    LEU  27           H        LEU  27  -4.078  14.807   6.850
  202    HA   LEU  27           HA       LEU  27  -2.058  13.510   8.450
  203   1HB   LEU  27          2HB       LEU  27  -2.626  16.282   7.525
  204   2HB   LEU  27          1HB       LEU  27  -1.606  16.080   8.938
  205   1HD1  LEU  27          1HD2      LEU  27   0.023  13.377   7.356
  206   2HD1  LEU  27          2HD2      LEU  27   0.045  14.340   8.832
  207   3HD1  LEU  27          3HD2      LEU  27   1.226  14.652   7.560
  208   1HD2  LEU  27          1HD1      LEU  27  -1.965  14.124   5.877
  209   2HD2  LEU  27          2HD1      LEU  27  -0.357  14.452   5.229
  210   3HD2  LEU  27          3HD1      LEU  27  -1.595  15.707   5.194
  Start of MODEL    2
    1   1H    GLY   1          1H        GLY   1  -9.822 -24.551  -4.979
    2   1HA   GLY   1          2HA       GLY   1  -7.667 -23.227  -6.068
    3   2HA   GLY   1          1HA       GLY   1  -8.607 -23.775  -7.448
    4    H    TYR   2           H        TYR   2  -9.286 -22.301  -4.273
    5    HA   TYR   2           HA       TYR   2 -11.279 -20.588  -5.568
    6   1HB   TYR   2          2HB       TYR   2 -10.786 -21.368  -2.701
    7   2HB   TYR   2          1HB       TYR   2 -11.849 -20.030  -3.125
    8    HD1  TYR   2           1HD      TYR   2 -11.974 -23.240  -2.089
    9    HD2  TYR   2           2HD      TYR   2 -13.430 -20.858  -5.301
   10    HE1  TYR   2           1HE      TYR   2 -13.825 -24.824  -2.416
   11    HE2  TYR   2           2HE      TYR   2 -15.286 -22.435  -5.636
   12    HH   TYR   2           HH       TYR   2 -15.813 -24.787  -5.169
   13    H    ILE   3           H        ILE   3 -11.164 -18.375  -5.530
   14    HA   ILE   3           HA       ILE   3  -8.584 -17.260  -4.825
   15    HB   ILE   3           HB       ILE   3 -10.729 -15.837  -6.368
   16   1HG1  ILE   3          2HG1      ILE   3  -8.680 -17.826  -7.330
   17   2HG1  ILE   3          1HG1      ILE   3 -10.406 -17.789  -7.666
   18   1HG2  ILE   3          1HG2      ILE   3  -9.166 -14.261  -6.828
   19   2HG2  ILE   3          2HG2      ILE   3  -7.838 -15.421  -6.841
   20   3HG2  ILE   3          3HG2      ILE   3  -8.489 -14.844  -5.307
   21   1HD1  ILE   3          1HD1      ILE   3  -9.903 -15.584  -8.886
   22   2HD1  ILE   3          2HD1      ILE   3  -9.451 -17.105  -9.656
   23   3HD1  ILE   3          3HD1      ILE   3  -8.225 -16.128  -8.849
   24    HA   PRO   4           HA       PRO   4 -10.950 -15.556  -1.320
   25   1HB   PRO   4          2HB       PRO   4  -8.835 -15.173   0.306
   26   2HB   PRO   4          1HB       PRO   4  -9.564 -16.768   0.078
   27   1HG   PRO   4          2HG       PRO   4  -7.108 -15.611  -1.187
   28   2HG   PRO   4          1HG       PRO   4  -7.359 -17.231  -0.510
   29   1HD   PRO   4          2HD       PRO   4  -7.479 -16.703  -3.176
   30   2HD   PRO   4          1HD       PRO   4  -8.417 -17.994  -2.400
   31    H    GLU   5           H        GLU   5 -11.548 -13.484  -1.334
   32    HA   GLU   5           HA       GLU   5 -10.030 -11.486  -2.620
   33   1HB   GLU   5          2HB       GLU   5 -12.565 -11.383  -1.000
   34   2HB   GLU   5          1HB       GLU   5 -11.851  -9.957  -1.743
   35   1HG   GLU   5          2HG       GLU   5 -12.563 -10.510  -3.792
   36   2HG   GLU   5          1HG       GLU   5 -12.223 -12.224  -3.560
   37    H    ALA   6           H        ALA   6  -8.250 -10.643  -1.734
   38    HA   ALA   6           HA       ALA   6  -7.726 -10.650   1.052
   39   1HB   ALA   6          1HB       ALA   6  -6.189 -10.391  -1.173
   40   2HB   ALA   6          2HB       ALA   6  -5.642 -10.059   0.471
   41   3HB   ALA   6          3HB       ALA   6  -6.195  -8.737  -0.558
   42    HA   PRO   7           HA       PRO   7 -10.247  -7.110   2.158
   43   1HB   PRO   7          2HB       PRO   7  -8.407  -7.117   4.497
   44   2HB   PRO   7          1HB       PRO   7 -10.173  -7.100   4.455
   45   1HG   PRO   7          2HG       PRO   7  -8.844  -9.319   5.096
   46   2HG   PRO   7          1HG       PRO   7 -10.319  -9.387   4.114
   47   1HD   PRO   7          2HD       PRO   7  -7.466  -9.661   3.276
   48   2HD   PRO   7          1HD       PRO   7  -8.909 -10.498   2.666
   49    H    ARG   8           H        ARG   8  -9.991  -4.934   1.904
   50    HA   ARG   8           HA       ARG   8  -7.274  -3.909   1.741
   51   1HB   ARG   8          2HB       ARG   8  -8.529  -4.123  -0.425
   52   2HB   ARG   8          1HB       ARG   8  -9.573  -2.846   0.144
   53   1HG   ARG   8          2HG       ARG   8  -6.897  -1.987   0.466
   54   2HG   ARG   8          1HG       ARG   8  -7.052  -2.663  -1.154
   55   1HD   ARG   8          2HD       ARG   8  -9.133  -1.243  -1.401
   56   2HD   ARG   8          1HD       ARG   8  -8.643  -0.430   0.085
   57    HE   ARG   8           HE       ARG   8  -6.436  -0.214  -1.421
   58   1HH1  ARG   8          1HH1      ARG   8  -9.792   0.453  -2.118
   59   2HH1  ARG   8          2HH1      ARG   8  -9.434   1.705  -3.259
   60   1HH2  ARG   8          1HH2      ARG   8  -5.967   1.434  -2.920
   61   2HH2  ARG   8          2HH2      ARG   8  -7.264   2.263  -3.714
   62    H    ASP   9           H        ASP   9  -7.019  -1.755   2.268
   63    HA   ASP   9           HA       ASP   9  -9.128  -0.421   3.613
   64   1HB   ASP   9          2HB       ASP   9  -7.920  -2.003   5.201
   65   2HB   ASP   9          1HB       ASP   9  -6.595  -0.843   5.133
   66    H    GLY  10           H        GLY  10  -7.093  -0.094   1.331
   67   1HA   GLY  10          2HA       GLY  10  -6.124   1.702   0.305
   68   2HA   GLY  10          1HA       GLY  10  -6.900   2.715   1.502
   69    H    GLN  11           H        GLN  11  -5.083   0.353   2.877
   70    HA   GLN  11           HA       GLN  11  -3.111   2.217   3.852
   71   1HB   GLN  11          2HB       GLN  11  -3.216  -0.758   4.341
   72   2HB   GLN  11          1HB       GLN  11  -2.406   0.458   5.311
   73   1HG   GLN  11          2HG       GLN  11  -5.267   0.923   4.999
   74   2HG   GLN  11          1HG       GLN  11  -4.865  -0.587   5.814
   75   1HE2  GLN  11          1HE2      GLN  11  -4.347  -0.526   7.892
   76   2HE2  GLN  11          2HE2      GLN  11  -4.040   0.907   8.807
   77    H    ALA  12           H        ALA  12  -1.018   2.416   3.269
   78    HA   ALA  12           HA       ALA  12   0.045   0.438   1.349
   79   1HB   ALA  12          1HB       ALA  12   0.950   3.300   1.252
   80   2HB   ALA  12          2HB       ALA  12  -0.528   2.811   0.419
   81   3HB   ALA  12          3HB       ALA  12   1.012   2.066  -0.005
   82    H    TYR  13           H        TYR  13   1.548  -0.672   2.215
   83    HA   TYR  13           HA       TYR  13   2.898   0.120   4.586
   84   1HB   TYR  13          2HB       TYR  13   3.786  -2.213   2.967
   85   2HB   TYR  13          1HB       TYR  13   3.649  -2.074   4.712
   86    HD1  TYR  13           1HD      TYR  13   1.155  -1.780   5.553
   87    HD2  TYR  13           2HD      TYR  13   2.251  -3.499   1.837
   88    HE1  TYR  13           1HE      TYR  13  -1.049  -2.895   5.433
   89    HE2  TYR  13           2HE      TYR  13   0.074  -4.638   1.704
   90    HH   TYR  13           HH       TYR  13  -2.509  -3.839   3.222
   91    H    VAL  14           H        VAL  14   4.855   0.829   4.910
   92    HA   VAL  14           HA       VAL  14   6.774   0.876   2.699
   93    HB   VAL  14           HB       VAL  14   7.330   2.787   4.782
   94   1HG1  VAL  14          1HG1      VAL  14   7.536   2.553   1.868
   95   2HG1  VAL  14          2HG1      VAL  14   8.683   3.197   3.044
   96   3HG1  VAL  14          3HG1      VAL  14   7.353   4.201   2.469
   97   1HG2  VAL  14          1HG2      VAL  14   4.723   3.064   3.352
   98   2HG2  VAL  14          2HG2      VAL  14   5.687   4.513   3.618
   99   3HG2  VAL  14          3HG2      VAL  14   5.164   3.546   4.994
  100    H    ARG  15           H        ARG  15   8.953   0.658   3.545
  101    HA   ARG  15           HA       ARG  15   8.869  -0.925   5.974
  102   1HB   ARG  15          2HB       ARG  15  10.127  -1.319   3.514
  103   2HB   ARG  15          1HB       ARG  15  11.399  -1.046   4.687
  104   1HG   ARG  15          2HG       ARG  15  10.058  -2.700   6.140
  105   2HG   ARG  15          1HG       ARG  15   9.332  -3.174   4.601
  106   1HD   ARG  15          2HD       ARG  15  11.319  -4.010   3.766
  107   2HD   ARG  15          1HD       ARG  15  12.306  -3.003   4.823
  108    HE   ARG  15           HE       ARG  15  10.755  -4.967   6.233
  109   1HH1  ARG  15          1HH1      ARG  15  13.739  -4.375   4.523
  110   2HH1  ARG  15          2HH1      ARG  15  14.595  -5.654   5.318
  111   1HH2  ARG  15          1HH2      ARG  15  11.879  -6.649   7.280
  112   2HH2  ARG  15          2HH2      ARG  15  13.538  -6.946   6.882
  113    H    LYS  16           H        LYS  16   8.974   0.442   7.529
  114    HA   LYS  16           HA       LYS  16  11.263   2.274   7.650
  115   1HB   LYS  16          2HB       LYS  16   8.839   2.510   9.378
  116   2HB   LYS  16          1HB       LYS  16  10.055   3.727   9.071
  117   1HG   LYS  16          2HG       LYS  16   8.108   2.676   7.055
  118   2HG   LYS  16          1HG       LYS  16   8.005   4.226   7.888
  119   1HD   LYS  16          2HD       LYS  16  10.410   3.458   6.272
  120   2HD   LYS  16          1HD       LYS  16   8.988   4.180   5.515
  121   1HE   LYS  16          2HE       LYS  16  10.161   5.498   7.915
  122   2HE   LYS  16          1HE       LYS  16  10.988   5.669   6.367
  123   1HZ   LYS  16          1HZ       LYS  16   8.386   6.704   7.211
  124   2HZ   LYS  16          2HZ       LYS  16   8.561   6.261   5.588
  125   3HZ   LYS  16          3HZ       LYS  16   9.581   7.431   6.258
  126    H    ASP  17           H        ASP  17  12.646   2.209   9.228
  127    HA   ASP  17           HA       ASP  17  13.930   1.326  10.907
  128   1HB   ASP  17          2HB       ASP  17  12.160   2.376  12.242
  129   2HB   ASP  17          1HB       ASP  17  11.210   0.902  12.147
  130    H    GLY  18           H        GLY  18  12.960  -0.395   8.753
  131   1HA   GLY  18          2HA       GLY  18  13.453  -2.595   8.219
  132   2HA   GLY  18          1HA       GLY  18  13.722  -2.925   9.923
  133    H    GLU  19           H        GLU  19  10.776  -1.426   9.765
  134    HA   GLU  19           HA       GLU  19   9.380  -3.939   9.497
  135   1HB   GLU  19          2HB       GLU  19   8.734  -1.645  11.341
  136   2HB   GLU  19          1HB       GLU  19   7.805  -3.135  11.193
  137   1HG   GLU  19          2HG       GLU  19   9.984  -4.311  11.766
  138   2HG   GLU  19          1HG       GLU  19  10.539  -2.732  12.313
  139    H    TRP  20           H        TRP  20   7.165  -3.750   8.878
  140    HA   TRP  20           HA       TRP  20   6.860  -1.875   6.731
  141   1HB   TRP  20          2HB       TRP  20   5.148  -4.173   7.749
  142   2HB   TRP  20          1HB       TRP  20   4.640  -3.140   6.414
  143    HD1  TRP  20           HD       TRP  20   6.315  -6.330   6.997
  144    HE1  TRP  20           1HE      TRP  20   7.639  -7.071   4.911
  145    HE3  TRP  20           3HE      TRP  20   6.308  -1.927   4.469
  146    HZ2  TRP  20           2HZ      TRP  20   8.558  -5.906   2.493
  147    HZ3  TRP  20           3HZ      TRP  20   7.409  -1.803   2.302
  148    HH2  TRP  20           HH       TRP  20   8.521  -3.746   1.315
  149    H    VAL  21           H        VAL  21   5.564  -0.086   6.782
  150    HA   VAL  21           HA       VAL  21   3.604   0.162   8.928
  151    HB   VAL  21           HB       VAL  21   4.445   2.787   8.314
  152   1HG1  VAL  21          1HG1      VAL  21   3.372   1.683  10.389
  153   2HG1  VAL  21          2HG1      VAL  21   4.442   3.069  10.604
  154   3HG1  VAL  21          3HG1      VAL  21   5.039   1.438  10.909
  155   1HG2  VAL  21          1HG2      VAL  21   6.729   0.973   9.070
  156   2HG2  VAL  21          2HG2      VAL  21   6.741   2.711   9.363
  157   3HG2  VAL  21          3HG2      VAL  21   6.635   2.101   7.717
  158    H    LEU  22           H        LEU  22   1.688   0.802   8.221
  159    HA   LEU  22           HA       LEU  22   1.453   1.231   5.388
  160   1HB   LEU  22          2HB       LEU  22  -1.113   1.191   6.436
  161   2HB   LEU  22          1HB       LEU  22  -0.277  -0.070   5.552
  162    HG   LEU  22           HG       LEU  22  -1.170  -1.035   7.537
  163   1HD1  LEU  22          1HD1      LEU  22   1.589  -0.929   6.941
  164   2HD1  LEU  22          2HD1      LEU  22   0.690  -2.235   7.727
  165   3HD1  LEU  22          3HD1      LEU  22   1.426  -0.966   8.700
  166   1HD2  LEU  22          1HD2      LEU  22  -1.572   0.335   9.248
  167   2HD2  LEU  22          2HD2      LEU  22  -0.427   1.530   8.633
  168   3HD2  LEU  22          3HD2      LEU  22   0.140   0.206   9.657
  169    H    LEU  23           H        LEU  23   0.970   2.893   4.461
  170    HA   LEU  23           HA       LEU  23   0.827   5.431   5.800
  171   1HB   LEU  23          2HB       LEU  23   0.629   4.673   2.887
  172   2HB   LEU  23          1HB       LEU  23   0.664   6.327   3.470
  173    HG   LEU  23           HG       LEU  23   2.888   4.404   4.095
  174   1HD1  LEU  23          1HD1      LEU  23   2.233   4.957   1.534
  175   2HD1  LEU  23          2HD1      LEU  23   3.879   4.664   2.094
  176   3HD1  LEU  23          3HD1      LEU  23   3.296   6.316   1.900
  177   1HD2  LEU  23          1HD2      LEU  23   2.898   7.404   3.834
  178   2HD2  LEU  23          2HD2      LEU  23   4.163   6.372   4.502
  179   3HD2  LEU  23          3HD2      LEU  23   2.631   6.555   5.357
  180    H    SER  24           H        SER  24  -0.843   7.026   4.511
  181    HA   SER  24           HA       SER  24  -3.464   5.897   4.168
  182   1HB   SER  24          2HB       SER  24  -2.615   7.192   6.688
  183   2HB   SER  24          1HB       SER  24  -4.185   7.687   6.057
  184    HG   SER  24           HG       SER  24  -4.828   5.524   6.087
  185    H    THR  25           H        THR  25  -2.190   7.159   2.250
  186    HA   THR  25           HA       THR  25  -2.634  10.007   2.322
  187    HB   THR  25           HB       THR  25  -0.736   9.514   1.093
  188    HG1  THR  25           1HG      THR  25  -1.274   9.941  -1.098
  189   1HG2  THR  25          1HG2      THR  25  -2.204   7.126   0.153
  190   2HG2  THR  25          2HG2      THR  25  -0.528   7.302   0.673
  191   3HG2  THR  25          3HG2      THR  25  -1.014   7.836  -0.937
  192    H    PHE  26           H        PHE  26  -3.448   8.485  -0.692
  193    HA   PHE  26           HA       PHE  26  -6.096   9.650  -0.529
  194   1HB   PHE  26          2HB       PHE  26  -6.245   9.117  -2.922
  195   2HB   PHE  26          1HB       PHE  26  -4.765   9.994  -2.555
  196    HD1  PHE  26           1HD      PHE  26  -6.176   6.749  -3.514
  197    HD2  PHE  26           2HD      PHE  26  -2.616   8.969  -2.804
  198    HE1  PHE  26           1HE      PHE  26  -4.861   4.980  -4.605
  199    HE2  PHE  26           2HE      PHE  26  -1.294   7.204  -3.894
  200    HZ   PHE  26           HZ       PHE  26  -2.416   5.207  -4.797
  201    H    LEU  27           H        LEU  27  -7.520   7.949  -2.227
  202    HA   LEU  27           HA       LEU  27  -8.259   5.885  -0.355
  203   1HB   LEU  27          2HB       LEU  27  -9.373   6.518  -3.090
  204   2HB   LEU  27          1HB       LEU  27 -10.088   5.422  -1.926
  205   1HD1  LEU  27          1HD2      LEU  27 -10.317   6.414   0.411
  206   2HD1  LEU  27          2HD2      LEU  27 -11.162   7.961   0.467
  207   3HD1  LEU  27          3HD2      LEU  27  -9.400   7.921   0.439
  208   1HD2  LEU  27          1HD1      LEU  27 -10.608   9.550  -1.914
  209   2HD2  LEU  27          2HD1      LEU  27  -9.479   8.711  -2.977
  210   3HD2  LEU  27          3HD1      LEU  27  -8.988   9.153  -1.342
  Start of MODEL    3
    1   1H    GLY   1          1H        GLY   1  -6.919 -20.655 -11.927
    2   1HA   GLY   1          2HA       GLY   1  -8.578 -19.159 -11.374
    3   2HA   GLY   1          1HA       GLY   1  -9.353 -20.452 -10.472
    4    H    TYR   2           H        TYR   2  -6.875 -17.947 -10.314
    5    HA   TYR   2           HA       TYR   2  -6.876 -18.142  -7.388
    6   1HB   TYR   2          2HB       TYR   2  -4.684 -18.139  -8.553
    7   2HB   TYR   2          1HB       TYR   2  -5.052 -16.540  -9.194
    8    HD1  TYR   2           1HD      TYR   2  -3.896 -14.855  -8.142
    9    HD2  TYR   2           2HD      TYR   2  -5.216 -18.170  -5.826
   10    HE1  TYR   2           1HE      TYR   2  -2.936 -13.822  -6.128
   11    HE2  TYR   2           2HE      TYR   2  -4.259 -17.147  -3.805
   12    HH   TYR   2           HH       TYR   2  -2.076 -14.651  -3.865
   13    H    ILE   3           H        ILE   3  -8.235 -16.858  -6.329
   14    HA   ILE   3           HA       ILE   3  -9.491 -14.630  -7.567
   15    HB   ILE   3           HB       ILE   3  -9.674 -15.065  -4.635
   16   1HG1  ILE   3          2HG1      ILE   3 -11.481 -16.839  -5.329
   17   2HG1  ILE   3          1HG1      ILE   3 -10.466 -17.064  -6.725
   18   1HG2  ILE   3          1HG2      ILE   3 -11.005 -13.481  -6.362
   19   2HG2  ILE   3          2HG2      ILE   3 -11.682 -14.064  -4.841
   20   3HG2  ILE   3          3HG2      ILE   3 -12.060 -14.894  -6.350
   21   1HD1  ILE   3          1HD1      ILE   3  -9.176 -18.409  -5.534
   22   2HD1  ILE   3          2HD1      ILE   3 -10.211 -18.159  -4.129
   23   3HD1  ILE   3          3HD1      ILE   3  -8.830 -17.097  -4.407
   24    HA   PRO   4           HA       PRO   4  -6.126 -11.817  -6.435
   25   1HB   PRO   4          2HB       PRO   4  -8.134  -9.832  -7.353
   26   2HB   PRO   4          1HB       PRO   4  -6.450 -10.039  -7.845
   27   1HG   PRO   4          2HG       PRO   4  -8.441 -10.772  -9.457
   28   2HG   PRO   4          1HG       PRO   4  -6.958 -11.737  -9.340
   29   1HD   PRO   4          2HD       PRO   4  -9.648 -12.237  -8.131
   30   2HD   PRO   4          1HD       PRO   4  -8.501 -13.388  -8.844
   31    H    GLU   5           H        GLU   5  -5.768 -10.395  -4.759
   32    HA   GLU   5           HA       GLU   5  -7.585 -10.499  -2.608
   33   1HB   GLU   5          2HB       GLU   5  -4.988  -9.028  -2.999
   34   2HB   GLU   5          1HB       GLU   5  -5.905  -8.963  -1.499
   35   1HG   GLU   5          2HG       GLU   5  -5.399 -11.673  -2.472
   36   2HG   GLU   5          1HG       GLU   5  -3.944 -10.760  -2.072
   37    H    ALA   6           H        ALA   6  -9.476  -9.473  -3.236
   38    HA   ALA   6           HA       ALA   6  -9.536  -6.843  -4.311
   39   1HB   ALA   6          1HB       ALA   6 -12.009  -7.508  -3.034
   40   2HB   ALA   6          2HB       ALA   6 -11.387  -8.916  -3.897
   41   3HB   ALA   6          3HB       ALA   6 -11.633  -7.395  -4.753
   42    HA   PRO   7           HA       PRO   7 -10.856  -5.940   0.446
   43   1HB   PRO   7          2HB       PRO   7  -8.472  -7.454   1.426
   44   2HB   PRO   7          1HB       PRO   7 -10.024  -7.164   2.221
   45   1HG   PRO   7          2HG       PRO   7  -9.503  -9.522   1.111
   46   2HG   PRO   7          1HG       PRO   7 -11.116  -8.795   0.979
   47   1HD   PRO   7          2HD       PRO   7  -8.970  -9.035  -1.070
   48   2HD   PRO   7          1HD       PRO   7 -10.733  -9.059  -1.269
   49    H    ARG   8           H        ARG   8 -10.257  -3.867  -0.004
   50    HA   ARG   8           HA       ARG   8  -7.448  -3.190   0.297
   51   1HB   ARG   8          2HB       ARG   8  -8.365  -2.959  -2.022
   52   2HB   ARG   8          1HB       ARG   8  -9.390  -1.677  -1.421
   53   1HG   ARG   8          2HG       ARG   8  -7.695  -0.202  -1.309
   54   2HG   ARG   8          1HG       ARG   8  -6.529  -1.421  -0.789
   55   1HD   ARG   8          2HD       ARG   8  -7.077  -2.195  -3.355
   56   2HD   ARG   8          1HD       ARG   8  -7.157  -0.438  -3.471
   57    HE   ARG   8           HE       ARG   8  -4.849  -1.039  -2.065
   58   1HH1  ARG   8          1HH1      ARG   8  -6.145  -1.635  -5.249
   59   2HH1  ARG   8          2HH1      ARG   8  -4.590  -1.691  -6.009
   60   1HH2  ARG   8          1HH2      ARG   8  -2.801  -1.113  -3.061
   61   2HH2  ARG   8          2HH2      ARG   8  -2.691  -1.398  -4.766
   62    H    ASP   9           H        ASP   9  -7.076  -1.093   1.077
   63    HA   ASP   9           HA       ASP   9  -9.239   0.187   2.411
   64   1HB   ASP   9          2HB       ASP   9  -8.188  -1.614   3.868
   65   2HB   ASP   9          1HB       ASP   9  -6.824  -0.505   4.025
   66    H    GLY  10           H        GLY  10  -6.965   0.630   0.356
   67   1HA   GLY  10          2HA       GLY  10  -5.863   2.474  -0.427
   68   2HA   GLY  10          1HA       GLY  10  -6.734   3.417   0.761
   69    H    GLN  11           H        GLN  11  -5.154   0.917   2.155
   70    HA   GLN  11           HA       GLN  11  -3.142   2.657   3.322
   71   1HB   GLN  11          2HB       GLN  11  -3.834  -0.219   3.944
   72   2HB   GLN  11          1HB       GLN  11  -2.730   0.793   4.866
   73   1HG   GLN  11          2HG       GLN  11  -4.714   2.359   5.193
   74   2HG   GLN  11          1HG       GLN  11  -5.707   1.023   4.610
   75   1HE2  GLN  11          1HE2      GLN  11  -4.349  -1.108   5.738
   76   2HE2  GLN  11          2HE2      GLN  11  -4.517  -1.039   7.456
   77    H    ALA  12           H        ALA  12  -1.002   2.564   2.956
   78    HA   ALA  12           HA       ALA  12   0.019   0.349   1.299
   79   1HB   ALA  12          1HB       ALA  12   1.229   1.754  -0.112
   80   2HB   ALA  12          2HB       ALA  12   1.128   3.123   0.996
   81   3HB   ALA  12          3HB       ALA  12  -0.295   2.620   0.081
   82    H    TYR  13           H        TYR  13   1.715  -0.641   2.070
   83    HA   TYR  13           HA       TYR  13   2.883   0.285   4.555
   84   1HB   TYR  13          2HB       TYR  13   3.723  -2.211   3.155
   85   2HB   TYR  13          1HB       TYR  13   3.663  -1.892   4.867
   86    HD1  TYR  13           1HD      TYR  13   2.777  -4.398   3.675
   87    HD2  TYR  13           2HD      TYR  13   0.531  -0.850   4.398
   88    HE1  TYR  13           1HE      TYR  13   0.709  -5.719   3.804
   89    HE2  TYR  13           2HE      TYR  13  -1.520  -2.157   4.532
   90    HH   TYR  13           HH       TYR  13  -1.971  -4.816   5.162
   91    H    VAL  14           H        VAL  14   4.833   0.970   4.887
   92    HA   VAL  14           HA       VAL  14   6.801   0.867   2.718
   93    HB   VAL  14           HB       VAL  14   7.343   2.818   4.792
   94   1HG1  VAL  14          1HG1      VAL  14   8.806   2.862   3.017
   95   2HG1  VAL  14          2HG1      VAL  14   7.743   4.217   2.634
   96   3HG1  VAL  14          3HG1      VAL  14   7.528   2.669   1.818
   97   1HG2  VAL  14          1HG2      VAL  14   4.829   3.117   3.212
   98   2HG2  VAL  14          2HG2      VAL  14   5.829   4.547   3.448
   99   3HG2  VAL  14          3HG2      VAL  14   5.207   3.673   4.845
  100    H    ARG  15           H        ARG  15   8.977   0.683   3.617
  101    HA   ARG  15           HA       ARG  15   8.836  -0.910   6.035
  102   1HB   ARG  15          2HB       ARG  15  10.166  -1.282   3.612
  103   2HB   ARG  15          1HB       ARG  15  11.408  -0.979   4.814
  104   1HG   ARG  15          2HG       ARG  15  10.038  -2.660   6.232
  105   2HG   ARG  15          1HG       ARG  15   9.405  -3.160   4.662
  106   1HD   ARG  15          2HD       ARG  15  11.756  -3.473   3.888
  107   2HD   ARG  15          1HD       ARG  15  12.294  -3.138   5.533
  108    HE   ARG  15           HE       ARG  15  10.406  -5.198   5.625
  109   1HH1  ARG  15          1HH1      ARG  15  13.640  -4.622   4.450
  110   2HH1  ARG  15          2HH1      ARG  15  14.133  -6.272   4.627
  111   1HH2  ARG  15          1HH2      ARG  15  11.050  -7.368   5.859
  112   2HH2  ARG  15          2HH2      ARG  15  12.661  -7.833   5.427
  113    H    LYS  16           H        LYS  16   8.880   0.449   7.603
  114    HA   LYS  16           HA       LYS  16  11.086   2.377   7.766
  115   1HB   LYS  16          2HB       LYS  16   8.641   2.488   9.475
  116   2HB   LYS  16          1HB       LYS  16   9.788   3.769   9.163
  117   1HG   LYS  16          2HG       LYS  16   7.861   2.617   7.180
  118   2HG   LYS  16          1HG       LYS  16   7.739   4.180   7.980
  119   1HD   LYS  16          2HD       LYS  16  10.279   4.152   6.839
  120   2HD   LYS  16          1HD       LYS  16   9.231   3.421   5.624
  121   1HE   LYS  16          2HE       LYS  16   9.019   5.636   5.080
  122   2HE   LYS  16          1HE       LYS  16   7.672   5.450   6.203
  123   1HZ   LYS  16          1HZ       LYS  16   8.779   6.584   7.854
  124   2HZ   LYS  16          2HZ       LYS  16   9.293   7.422   6.478
  125   3HZ   LYS  16          3HZ       LYS  16  10.313   6.284   7.204
  126    H    ASP  17           H        ASP  17  12.449   2.389   9.343
  127    HA   ASP  17           HA       ASP  17  13.769   1.586  11.031
  128   1HB   ASP  17          2HB       ASP  17  11.941   2.532  12.358
  129   2HB   ASP  17          1HB       ASP  17  11.068   1.011  12.255
  130    H    GLY  18           H        GLY  18  12.981  -0.173   8.872
  131   1HA   GLY  18          2HA       GLY  18  13.565  -2.344   8.333
  132   2HA   GLY  18          1HA       GLY  18  13.862  -2.658  10.035
  133    H    GLU  19           H        GLU  19  10.825  -1.318   9.821
  134    HA   GLU  19           HA       GLU  19   9.578  -3.914   9.605
  135   1HB   GLU  19          2HB       GLU  19   8.785  -1.635  11.408
  136   2HB   GLU  19          1HB       GLU  19   7.960  -3.187  11.286
  137   1HG   GLU  19          2HG       GLU  19  10.212  -4.202  11.885
  138   2HG   GLU  19          1HG       GLU  19  10.655  -2.579  12.404
  139    H    TRP  20           H        TRP  20   7.356  -3.857   9.000
  140    HA   TRP  20           HA       TRP  20   6.943  -2.017   6.833
  141   1HB   TRP  20          2HB       TRP  20   5.468  -4.484   7.812
  142   2HB   TRP  20          1HB       TRP  20   4.853  -3.493   6.495
  143    HD1  TRP  20           HD       TRP  20   6.892  -6.472   7.032
  144    HE1  TRP  20           1HE      TRP  20   8.292  -7.009   4.935
  145    HE3  TRP  20           3HE      TRP  20   6.320  -2.053   4.574
  146    HZ2  TRP  20           2HZ      TRP  20   9.054  -5.703   2.536
  147    HZ3  TRP  20           3HZ      TRP  20   7.408  -1.775   2.406
  148    HH2  TRP  20           HH       TRP  20   8.746  -3.548   1.392
  149    H    VAL  21           H        VAL  21   5.673  -0.251   6.973
  150    HA   VAL  21           HA       VAL  21   3.516  -0.171   8.936
  151    HB   VAL  21           HB       VAL  21   4.580   2.469   8.730
  152   1HG1  VAL  21          1HG1      VAL  21   4.502   2.379  11.145
  153   2HG1  VAL  21          2HG1      VAL  21   4.377   0.620  11.097
  154   3HG1  VAL  21          3HG1      VAL  21   3.067   1.615  10.461
  155   1HG2  VAL  21          1HG2      VAL  21   6.788   1.715   8.437
  156   2HG2  VAL  21          2HG2      VAL  21   6.567   0.365   9.552
  157   3HG2  VAL  21          3HG2      VAL  21   6.645   2.015  10.166
  158    H    LEU  22           H        LEU  22   1.694   0.847   8.171
  159    HA   LEU  22           HA       LEU  22   1.822   1.582   5.402
  160   1HB   LEU  22          2HB       LEU  22  -0.843   1.775   6.284
  161   2HB   LEU  22          1HB       LEU  22  -0.110   0.631   5.183
  162    HG   LEU  22           HG       LEU  22  -1.237  -0.600   6.872
  163   1HD1  LEU  22          1HD1      LEU  22   0.408  -2.081   6.904
  164   2HD1  LEU  22          2HD1      LEU  22   1.328  -1.103   8.047
  165   3HD1  LEU  22          3HD1      LEU  22   1.488  -0.815   6.310
  166   1HD2  LEU  22          1HD2      LEU  22  -1.554   0.396   8.837
  167   2HD2  LEU  22          2HD2      LEU  22  -0.221   1.518   8.550
  168   3HD2  LEU  22          3HD2      LEU  22   0.096  -0.072   9.250
  169    H    LEU  23           H        LEU  23   1.180   3.258   4.488
  170    HA   LEU  23           HA       LEU  23   1.723   5.744   5.693
  171   1HB   LEU  23          2HB       LEU  23   0.423   4.961   3.096
  172   2HB   LEU  23          1HB       LEU  23   0.656   6.642   3.536
  173    HG   LEU  23           HG       LEU  23   2.933   4.676   3.396
  174   1HD1  LEU  23          1HD1      LEU  23   1.563   5.069   1.224
  175   2HD1  LEU  23          2HD1      LEU  23   3.322   5.186   1.181
  176   3HD1  LEU  23          3HD1      LEU  23   2.343   6.651   1.235
  177   1HD2  LEU  23          1HD2      LEU  23   3.058   6.905   4.675
  178   2HD2  LEU  23          2HD2      LEU  23   3.048   7.654   3.078
  179   3HD2  LEU  23          3HD2      LEU  23   4.335   6.531   3.517
  180    H    SER  24           H        SER  24  -0.217   7.502   4.810
  181    HA   SER  24           HA       SER  24  -2.754   6.721   5.991
  182   1HB   SER  24          2HB       SER  24  -0.803   8.047   7.510
  183   2HB   SER  24          1HB       SER  24  -1.968   9.292   7.069
  184    HG   SER  24           HG       SER  24  -3.566   8.155   8.068
  185    H    THR  25           H        THR  25  -3.681   9.465   6.219
  186    HA   THR  25           HA       THR  25  -4.409   9.888   3.494
  187    HB   THR  25           HB       THR  25  -4.847  11.948   5.626
  188    HG1  THR  25           1HG      THR  25  -5.664  10.431   6.821
  189   1HG2  THR  25          1HG2      THR  25  -6.113  12.738   3.975
  190   2HG2  THR  25          2HG2      THR  25  -7.235  11.451   4.415
  191   3HG2  THR  25          3HG2      THR  25  -6.091  11.210   3.095
  192    H    PHE  26           H        PHE  26  -2.716  12.019   5.812
  193    HA   PHE  26           HA       PHE  26  -1.664  13.588   3.607
  194   1HB   PHE  26          2HB       PHE  26  -2.509  14.609   5.761
  195   2HB   PHE  26          1HB       PHE  26  -1.086  13.938   6.551
  196    HD1  PHE  26           1HD      PHE  26  -2.349  16.503   4.303
  197    HD2  PHE  26           2HD      PHE  26   1.141  14.792   6.038
  198    HE1  PHE  26           1HE      PHE  26  -1.053  18.486   3.641
  199    HE2  PHE  26           2HE      PHE  26   2.444  16.774   5.380
  200    HZ   PHE  26           HZ       PHE  26   1.347  18.624   4.179
  201    H    LEU  27           H        LEU  27  -0.217  11.994   6.456
  202    HA   LEU  27           HA       LEU  27   2.360  11.906   5.129
  203   1HB   LEU  27          2HB       LEU  27   3.204  11.033   7.225
  204   2HB   LEU  27          1HB       LEU  27   2.227  12.459   7.511
  205   1HD1  LEU  27          1HD2      LEU  27   3.027   9.398   8.714
  206   2HD1  LEU  27          2HD2      LEU  27   1.669   9.265   9.831
  207   3HD1  LEU  27          3HD2      LEU  27   2.717  10.681   9.884
  208   1HD2  LEU  27          1HD1      LEU  27  -0.566  11.068   9.060
  209   2HD2  LEU  27          2HD1      LEU  27   0.234  12.465   8.339
  210   3HD2  LEU  27          3HD1      LEU  27   0.774  11.849   9.900
  Start of MODEL    4
    1   1H    GLY   1          1H        GLY   1  -9.599 -20.304  -9.142
    2   1HA   GLY   1          2HA       GLY   1  -9.428 -22.428  -7.105
    3   2HA   GLY   1          1HA       GLY   1  -8.083 -21.849  -8.075
    4    H    TYR   2           H        TYR   2  -6.728 -20.464  -7.149
    5    HA   TYR   2           HA       TYR   2  -7.191 -19.573  -4.471
    6   1HB   TYR   2          2HB       TYR   2  -4.951 -19.130  -6.438
    7   2HB   TYR   2          1HB       TYR   2  -4.958 -18.388  -4.842
    8    HD1  TYR   2           1HD      TYR   2  -5.645 -21.801  -6.229
    9    HD2  TYR   2           2HD      TYR   2  -3.615 -19.459  -3.315
   10    HE1  TYR   2           1HE      TYR   2  -4.658 -23.844  -5.286
   11    HE2  TYR   2           2HE      TYR   2  -2.620 -21.495  -2.363
   12    HH   TYR   2           HH       TYR   2  -3.337 -24.706  -3.710
   13    H    ILE   3           H        ILE   3  -7.981 -17.691  -3.782
   14    HA   ILE   3           HA       ILE   3  -8.749 -15.713  -5.738
   15    HB   ILE   3           HB       ILE   3  -9.412 -15.706  -2.806
   16   1HG1  ILE   3          2HG1      ILE   3 -10.733 -17.106  -5.121
   17   2HG1  ILE   3          1HG1      ILE   3 -10.310 -17.756  -3.543
   18   1HG2  ILE   3          1HG2      ILE   3 -11.322 -14.312  -3.580
   19   2HG2  ILE   3          2HG2      ILE   3 -10.612 -14.314  -5.194
   20   3HG2  ILE   3          3HG2      ILE   3  -9.745 -13.573  -3.849
   21   1HD1  ILE   3          1HD1      ILE   3 -12.078 -16.376  -2.533
   22   2HD1  ILE   3          2HD1      ILE   3 -12.694 -17.524  -3.723
   23   3HD1  ILE   3          3HD1      ILE   3 -12.530 -15.818  -4.143
   24    HA   PRO   4           HA       PRO   4  -5.108 -13.250  -4.739
   25   1HB   PRO   4          2HB       PRO   4  -6.701 -11.161  -6.119
   26   2HB   PRO   4          1HB       PRO   4  -5.049 -11.706  -6.429
   27   1HG   PRO   4          2HG       PRO   4  -7.031 -12.381  -8.074
   28   2HG   PRO   4          1HG       PRO   4  -5.745 -13.535  -7.675
   29   1HD   PRO   4          2HD       PRO   4  -8.549 -13.386  -6.641
   30   2HD   PRO   4          1HD       PRO   4  -7.579 -14.812  -7.068
   31    H    GLU   5           H        GLU   5  -4.648 -11.339  -3.556
   32    HA   GLU   5           HA       GLU   5  -6.340 -10.985  -1.340
   33   1HB   GLU   5          2HB       GLU   5  -4.685  -9.334  -0.580
   34   2HB   GLU   5          1HB       GLU   5  -3.927 -10.829  -1.109
   35   1HG   GLU   5          2HG       GLU   5  -4.142  -8.949  -3.285
   36   2HG   GLU   5          1HG       GLU   5  -3.299  -8.242  -1.908
   37    H    ALA   6           H        ALA   6  -8.286 -10.293  -2.287
   38    HA   ALA   6           HA       ALA   6  -8.504  -7.851  -3.735
   39   1HB   ALA   6          1HB       ALA   6 -11.022  -8.354  -2.747
   40   2HB   ALA   6          2HB       ALA   6 -10.289  -9.955  -2.831
   41   3HB   ALA   6          3HB       ALA   6 -10.363  -8.944  -4.272
   42    HA   PRO   7           HA       PRO   7 -10.385  -6.404   0.692
   43   1HB   PRO   7          2HB       PRO   7  -8.320  -7.209   2.486
   44   2HB   PRO   7          1HB       PRO   7 -10.014  -7.705   2.495
   45   1HG   PRO   7          2HG       PRO   7  -7.643  -9.090   1.383
   46   2HG   PRO   7          1HG       PRO   7  -9.152  -9.769   2.018
   47   1HD   PRO   7          2HD       PRO   7  -8.630  -9.746  -0.598
   48   2HD   PRO   7          1HD       PRO   7 -10.276  -9.473   0.007
   49    H    ARG   8           H        ARG   8  -9.900  -4.339   0.304
   50    HA   ARG   8           HA       ARG   8  -7.139  -3.481   0.577
   51   1HB   ARG   8          2HB       ARG   8  -8.056  -3.402  -1.745
   52   2HB   ARG   8          1HB       ARG   8  -9.162  -2.163  -1.200
   53   1HG   ARG   8          2HG       ARG   8  -7.549  -0.584  -1.088
   54   2HG   ARG   8          1HG       ARG   8  -6.296  -1.740  -0.628
   55   1HD   ARG   8          2HD       ARG   8  -6.662  -2.615  -3.078
   56   2HD   ARG   8          1HD       ARG   8  -7.291  -0.989  -3.334
   57    HE   ARG   8           HE       ARG   8  -4.929  -0.525  -2.123
   58   1HH1  ARG   8          1HH1      ARG   8  -5.827  -2.483  -4.869
   59   2HH1  ARG   8          2HH1      ARG   8  -4.303  -2.288  -5.665
   60   1HH2  ARG   8          1HH2      ARG   8  -2.923  -0.268  -3.169
   61   2HH2  ARG   8          2HH2      ARG   8  -2.653  -1.030  -4.701
   62    H    ASP   9           H        ASP   9  -6.876  -1.365   1.301
   63    HA   ASP   9           HA       ASP   9  -9.096  -0.087   2.518
   64   1HB   ASP   9          2HB       ASP   9  -8.127  -1.798   4.097
   65   2HB   ASP   9          1HB       ASP   9  -6.733  -0.733   4.232
   66    H    GLY  10           H        GLY  10  -6.786   0.328   0.516
   67   1HA   GLY  10          2HA       GLY  10  -5.722   2.175  -0.307
   68   2HA   GLY  10          1HA       GLY  10  -6.587   3.128   0.877
   69    H    GLN  11           H        GLN  11  -4.989   0.647   2.284
   70    HA   GLN  11           HA       GLN  11  -3.006   2.404   3.458
   71   1HB   GLN  11          2HB       GLN  11  -3.411  -0.537   3.999
   72   2HB   GLN  11          1HB       GLN  11  -2.570   0.629   5.011
   73   1HG   GLN  11          2HG       GLN  11  -4.744   1.822   5.296
   74   2HG   GLN  11          1HG       GLN  11  -5.517   0.482   4.459
   75   1HE2  GLN  11          1HE2      GLN  11  -4.238   1.630   7.399
   76   2HE2  GLN  11          2HE2      GLN  11  -4.536   0.221   8.352
   77    H    ALA  12           H        ALA  12  -0.899   2.471   2.990
   78    HA   ALA  12           HA       ALA  12   0.204   0.316   1.301
   79   1HB   ALA  12          1HB       ALA  12   1.333   1.790  -0.093
   80   2HB   ALA  12          2HB       ALA  12   1.257   3.115   1.066
   81   3HB   ALA  12          3HB       ALA  12  -0.188   2.643   0.170
   82    H    TYR  13           H        TYR  13   1.819  -0.702   2.151
   83    HA   TYR  13           HA       TYR  13   2.993   0.265   4.616
   84   1HB   TYR  13          2HB       TYR  13   3.803  -2.281   3.284
   85   2HB   TYR  13          1HB       TYR  13   3.730  -1.922   4.987
   86    HD1  TYR  13           1HD      TYR  13   2.822  -4.442   3.837
   87    HD2  TYR  13           2HD      TYR  13   0.619  -0.851   4.465
   88    HE1  TYR  13           1HE      TYR  13   0.737  -5.732   3.978
   89    HE2  TYR  13           2HE      TYR  13  -1.449  -2.128   4.611
   90    HH   TYR  13           HH       TYR  13  -1.559  -5.412   5.053
   91    H    VAL  14           H        VAL  14   4.961   0.903   4.944
   92    HA   VAL  14           HA       VAL  14   6.948   0.675   2.802
   93    HB   VAL  14           HB       VAL  14   7.474   2.709   4.812
   94   1HG1  VAL  14          1HG1      VAL  14   7.602   3.594   2.068
   95   2HG1  VAL  14          2HG1      VAL  14   8.369   2.018   2.272
   96   3HG1  VAL  14          3HG1      VAL  14   8.896   3.388   3.249
   97   1HG2  VAL  14          1HG2      VAL  14   6.068   4.386   3.281
   98   2HG2  VAL  14          2HG2      VAL  14   5.370   3.624   4.708
   99   3HG2  VAL  14          3HG2      VAL  14   5.046   2.962   3.102
  100    H    ARG  15           H        ARG  15   9.119   0.510   3.766
  101    HA   ARG  15           HA       ARG  15   8.887  -0.999   6.233
  102   1HB   ARG  15          2HB       ARG  15  10.283  -1.467   3.857
  103   2HB   ARG  15          1HB       ARG  15  11.485  -1.171   5.099
  104   1HG   ARG  15          2HG       ARG  15   9.878  -2.771   6.461
  105   2HG   ARG  15          1HG       ARG  15   9.523  -3.350   4.830
  106   1HD   ARG  15          2HD       ARG  15  12.266  -3.157   6.080
  107   2HD   ARG  15          1HD       ARG  15  11.338  -4.638   5.875
  108    HE   ARG  15           HE       ARG  15  12.622  -3.075   3.756
  109   1HH1  ARG  15          1HH1      ARG  15  10.817  -5.915   4.713
  110   2HH1  ARG  15          2HH1      ARG  15  11.143  -6.763   3.241
  111   1HH2  ARG  15          1HH2      ARG  15  13.039  -4.194   1.826
  112   2HH2  ARG  15          2HH2      ARG  15  12.401  -5.789   1.603
  113    H    LYS  16           H        LYS  16   8.906   0.423   7.742
  114    HA   LYS  16           HA       LYS  16  11.160   2.291   7.921
  115   1HB   LYS  16          2HB       LYS  16   8.654   2.588   9.515
  116   2HB   LYS  16          1HB       LYS  16   9.850   3.811   9.146
  117   1HG   LYS  16          2HG       LYS  16   7.915   2.585   7.219
  118   2HG   LYS  16          1HG       LYS  16   7.875   4.219   7.870
  119   1HD   LYS  16          2HD       LYS  16  10.438   3.758   6.715
  120   2HD   LYS  16          1HD       LYS  16   9.204   3.273   5.553
  121   1HE   LYS  16          2HE       LYS  16   8.668   5.813   6.918
  122   2HE   LYS  16          1HE       LYS  16  10.108   5.816   5.899
  123   1HZ   LYS  16          1HZ       LYS  16   7.469   4.865   4.943
  124   2HZ   LYS  16          2HZ       LYS  16   8.836   5.233   4.018
  125   3HZ   LYS  16          3HZ       LYS  16   7.976   6.471   4.783
  126    H    ASP  17           H        ASP  17  12.436   2.339   9.589
  127    HA   ASP  17           HA       ASP  17  13.610   1.578  11.404
  128   1HB   ASP  17          2HB       ASP  17  11.707   2.581  12.572
  129   2HB   ASP  17          1HB       ASP  17  10.814   1.076  12.428
  130    H    GLY  18           H        GLY  18  12.960  -0.221   9.235
  131   1HA   GLY  18          2HA       GLY  18  13.488  -2.418   8.768
  132   2HA   GLY  18          1HA       GLY  18  13.747  -2.685  10.486
  133    H    GLU  19           H        GLU  19  10.735  -1.300  10.104
  134    HA   GLU  19           HA       GLU  19   9.445  -3.876   9.969
  135   1HB   GLU  19          2HB       GLU  19   8.656  -1.519  11.669
  136   2HB   GLU  19          1HB       GLU  19   7.802  -3.058  11.584
  137   1HG   GLU  19          2HG       GLU  19  10.020  -4.093  12.266
  138   2HG   GLU  19          1HG       GLU  19  10.483  -2.460  12.739
  139    H    TRP  20           H        TRP  20   7.298  -3.845   9.232
  140    HA   TRP  20           HA       TRP  20   6.964  -2.049   7.024
  141   1HB   TRP  20          2HB       TRP  20   5.394  -4.443   8.045
  142   2HB   TRP  20          1HB       TRP  20   4.843  -3.481   6.679
  143    HD1  TRP  20           HD       TRP  20   6.788  -6.492   7.370
  144    HE1  TRP  20           1HE      TRP  20   8.227  -7.137   5.331
  145    HE3  TRP  20           3HE      TRP  20   6.392  -2.150   4.750
  146    HZ2  TRP  20           2HZ      TRP  20   9.084  -5.932   2.912
  147    HZ3  TRP  20           3HZ      TRP  20   7.546  -1.973   2.605
  148    HH2  TRP  20           HH       TRP  20   8.865  -3.811   1.689
  149    H    VAL  21           H        VAL  21   5.780  -0.218   7.129
  150    HA   VAL  21           HA       VAL  21   3.589  -0.055   9.054
  151    HB   VAL  21           HB       VAL  21   4.677   2.567   8.755
  152   1HG1  VAL  21          1HG1      VAL  21   3.933   2.742  10.844
  153   2HG1  VAL  21          2HG1      VAL  21   4.881   1.361  11.395
  154   3HG1  VAL  21          3HG1      VAL  21   3.313   1.105  10.630
  155   1HG2  VAL  21          1HG2      VAL  21   6.718   2.155  10.240
  156   2HG2  VAL  21          2HG2      VAL  21   6.881   1.790   8.527
  157   3HG2  VAL  21          3HG2      VAL  21   6.636   0.483   9.686
  158    H    LEU  22           H        LEU  22   1.793   0.886   8.241
  159    HA   LEU  22           HA       LEU  22   1.917   1.565   5.460
  160   1HB   LEU  22          2HB       LEU  22  -0.755   1.722   6.346
  161   2HB   LEU  22          1HB       LEU  22  -0.003   0.582   5.256
  162    HG   LEU  22           HG       LEU  22  -1.107  -0.641   6.975
  163   1HD1  LEU  22          1HD1      LEU  22   1.632  -0.814   6.390
  164   2HD1  LEU  22          2HD1      LEU  22   0.554  -2.101   6.941
  165   3HD1  LEU  22          3HD1      LEU  22   1.459  -1.146   8.117
  166   1HD2  LEU  22          1HD2      LEU  22  -1.376   0.299   8.969
  167   2HD2  LEU  22          2HD2      LEU  22  -0.147   1.513   8.603
  168   3HD2  LEU  22          3HD2      LEU  22   0.324  -0.037   9.308
  169    H    LEU  23           H        LEU  23   1.200   3.204   4.506
  170    HA   LEU  23           HA       LEU  23   1.636   5.723   5.728
  171   1HB   LEU  23          2HB       LEU  23   0.591   4.862   3.054
  172   2HB   LEU  23          1HB       LEU  23   0.657   6.561   3.495
  173    HG   LEU  23           HG       LEU  23   3.115   4.852   3.670
  174   1HD1  LEU  23          1HD1      LEU  23   1.669   5.390   1.283
  175   2HD1  LEU  23          2HD1      LEU  23   3.231   4.596   1.475
  176   3HD1  LEU  23          3HD1      LEU  23   3.152   6.345   1.266
  177   1HD2  LEU  23          1HD2      LEU  23   4.062   7.175   3.026
  178   2HD2  LEU  23          2HD2      LEU  23   3.502   6.901   4.676
  179   3HD2  LEU  23          3HD2      LEU  23   2.481   7.772   3.530
  180    H    SER  24           H        SER  24  -0.985   3.795   6.052
  181    HA   SER  24           HA       SER  24  -3.032   5.821   5.876
  182   1HB   SER  24          2HB       SER  24  -2.968   2.912   6.255
  183   2HB   SER  24          1HB       SER  24  -4.204   3.727   7.213
  184    HG   SER  24           HG       SER  24  -5.299   3.782   5.430
  185    H    THR  25           H        THR  25  -4.456   6.311   7.710
  186    HA   THR  25           HA       THR  25  -2.870   7.000  10.028
  187    HB   THR  25           HB       THR  25  -4.402   8.635   9.025
  188    HG1  THR  25           1HG      THR  25  -5.699   8.347  11.401
  189   1HG2  THR  25          1HG2      THR  25  -6.238   6.540   8.933
  190   2HG2  THR  25          2HG2      THR  25  -6.507   8.226   8.493
  191   3HG2  THR  25          3HG2      THR  25  -6.872   7.672  10.127
  192    H    PHE  26           H        PHE  26  -4.519   6.983  12.114
  193    HA   PHE  26           HA       PHE  26  -4.722   4.164  12.756
  194   1HB   PHE  26          2HB       PHE  26  -5.050   4.907  15.059
  195   2HB   PHE  26          1HB       PHE  26  -3.654   5.709  14.352
  196    HD1  PHE  26           1HD      PHE  26  -3.952   8.087  13.499
  197    HD2  PHE  26           2HD      PHE  26  -6.796   6.137  15.994
  198    HE1  PHE  26           1HE      PHE  26  -4.899  10.269  14.116
  199    HE2  PHE  26           2HE      PHE  26  -7.748   8.320  16.616
  200    HZ   PHE  26           HZ       PHE  26  -6.800  10.389  15.675
  201    H    LEU  27           H        LEU  27  -6.574   3.075  13.313
  202    HA   LEU  27           HA       LEU  27  -8.758   2.484  13.013
  203   1HB   LEU  27          2HB       LEU  27  -8.469   4.249  15.073
  204   2HB   LEU  27          1HB       LEU  27  -9.759   4.995  14.148
  205   1HD1  LEU  27          1HD2      LEU  27  -9.493   1.779  16.488
  206   2HD1  LEU  27          2HD2      LEU  27 -10.755   2.862  17.075
  207   3HD1  LEU  27          3HD2      LEU  27  -9.130   3.481  16.775
  208   1HD2  LEU  27          1HD1      LEU  27 -11.636   4.757  15.046
  209   2HD2  LEU  27          2HD1      LEU  27 -12.278   3.264  15.735
  210   3HD2  LEU  27          3HD1      LEU  27 -12.128   3.436  13.986
  Start of MODEL    5
    1   1H    GLY   1          1H        GLY   1 -21.182  -9.688 -11.749
    2   1HA   GLY   1          2HA       GLY   1 -21.117 -11.903 -13.397
    3   2HA   GLY   1          1HA       GLY   1 -19.819 -10.863 -13.964
    4    H    TYR   2           H        TYR   2 -17.932 -11.550 -13.219
    5    HA   TYR   2           HA       TYR   2 -17.817 -12.719 -10.523
    6   1HB   TYR   2          2HB       TYR   2 -16.316 -13.188 -13.044
    7   2HB   TYR   2          1HB       TYR   2 -15.409 -13.335 -11.542
    8    HD1  TYR   2           1HD      TYR   2 -18.113 -14.744 -13.575
    9    HD2  TYR   2           2HD      TYR   2 -15.876 -15.126  -9.976
   10    HE1  TYR   2           1HE      TYR   2 -18.991 -17.021 -13.278
   11    HE2  TYR   2           2HE      TYR   2 -16.747 -17.405  -9.670
   12    HH   TYR   2           HH       TYR   2 -17.684 -19.253 -11.296
   13    H    ILE   3           H        ILE   3 -17.396 -11.128  -9.104
   14    HA   ILE   3           HA       ILE   3 -15.415  -9.117  -9.765
   15    HB   ILE   3           HB       ILE   3 -17.129  -9.119  -7.300
   16   1HG1  ILE   3          2HG1      ILE   3 -17.799  -8.208 -10.092
   17   2HG1  ILE   3          1HG1      ILE   3 -18.754  -9.214  -9.013
   18   1HG2  ILE   3          1HG2      ILE   3 -16.395  -6.596  -8.581
   19   2HG2  ILE   3          2HG2      ILE   3 -15.016  -7.547  -8.030
   20   3HG2  ILE   3          3HG2      ILE   3 -16.282  -7.088  -6.891
   21   1HD1  ILE   3          1HD1      ILE   3 -18.212  -6.278  -8.641
   22   2HD1  ILE   3          2HD1      ILE   3 -19.201  -7.295  -7.593
   23   3HD1  ILE   3          3HD1      ILE   3 -19.705  -6.987  -9.254
   24    HA   PRO   4           HA       PRO   4 -12.630 -11.715  -7.286
   25   1HB   PRO   4          2HB       PRO   4 -10.700  -9.606  -8.034
   26   2HB   PRO   4          1HB       PRO   4 -10.604 -11.354  -8.272
   27   1HG   PRO   4          2HG       PRO   4 -11.042  -9.692 -10.324
   28   2HG   PRO   4          1HG       PRO   4 -11.814 -11.287 -10.240
   29   1HD   PRO   4          2HD       PRO   4 -12.965  -8.589  -9.638
   30   2HD   PRO   4          1HD       PRO   4 -13.703  -9.967 -10.479
   31    H    GLU   5           H        GLU   5 -12.960 -11.454  -5.151
   32    HA   GLU   5           HA       GLU   5 -13.122  -8.928  -3.911
   33   1HB   GLU   5          2HB       GLU   5 -13.293 -10.202  -1.804
   34   2HB   GLU   5          1HB       GLU   5 -14.399 -10.790  -3.036
   35   1HG   GLU   5          2HG       GLU   5 -11.840 -12.165  -3.080
   36   2HG   GLU   5          1HG       GLU   5 -12.673 -12.312  -1.534
   37    H    ALA   6           H        ALA   6 -11.128  -7.997  -4.525
   38    HA   ALA   6           HA       ALA   6  -8.635  -9.085  -3.641
   39   1HB   ALA   6          1HB       ALA   6  -7.674  -7.429  -4.835
   40   2HB   ALA   6          2HB       ALA   6  -8.780  -6.200  -4.223
   41   3HB   ALA   6          3HB       ALA   6  -9.291  -7.277  -5.523
   42    HA   PRO   7           HA       PRO   7  -9.171  -7.612   0.576
   43   1HB   PRO   7          2HB       PRO   7  -6.770  -8.484   1.510
   44   2HB   PRO   7          1HB       PRO   7  -8.158  -9.554   1.280
   45   1HG   PRO   7          2HG       PRO   7  -5.790  -9.114  -0.498
   46   2HG   PRO   7          1HG       PRO   7  -6.586 -10.634  -0.051
   47   1HD   PRO   7          2HD       PRO   7  -7.030  -9.411  -2.421
   48   2HD   PRO   7          1HD       PRO   7  -8.289 -10.339  -1.582
   49    H    ARG   8           H        ARG   8  -9.088  -5.393   0.135
   50    HA   ARG   8           HA       ARG   8  -6.453  -4.197   0.378
   51   1HB   ARG   8          2HB       ARG   8  -7.560  -4.018  -1.881
   52   2HB   ARG   8          1HB       ARG   8  -8.708  -2.937  -1.135
   53   1HG   ARG   8          2HG       ARG   8  -7.299  -1.242  -1.384
   54   2HG   ARG   8          1HG       ARG   8  -6.057  -2.106  -0.476
   55   1HD   ARG   8          2HD       ARG   8  -4.980  -2.794  -2.340
   56   2HD   ARG   8          1HD       ARG   8  -6.475  -3.001  -3.250
   57    HE   ARG   8           HE       ARG   8  -5.669  -0.263  -2.728
   58   1HH1  ARG   8          1HH1      ARG   8  -5.661  -2.947  -4.966
   59   2HH1  ARG   8          2HH1      ARG   8  -5.363  -1.950  -6.350
   60   1HH2  ARG   8          1HH2      ARG   8  -5.274   1.043  -4.550
   61   2HH2  ARG   8          2HH2      ARG   8  -5.142   0.311  -6.115
   62    H    ASP   9           H        ASP   9  -6.442  -2.169   1.356
   63    HA   ASP   9           HA       ASP   9  -8.761  -1.404   2.821
   64   1HB   ASP   9          2HB       ASP   9  -7.361  -3.083   4.119
   65   2HB   ASP   9          1HB       ASP   9  -6.204  -1.766   4.325
   66    H    GLY  10           H        GLY  10  -6.669  -0.399   0.771
   67   1HA   GLY  10          2HA       GLY  10  -5.972   1.681   0.116
   68   2HA   GLY  10          1HA       GLY  10  -6.922   2.345   1.426
   69    H    GLN  11           H        GLN  11  -4.876   0.049   2.514
   70    HA   GLN  11           HA       GLN  11  -3.105   2.004   3.741
   71   1HB   GLN  11          2HB       GLN  11  -3.291  -0.984   4.162
   72   2HB   GLN  11          1HB       GLN  11  -2.330   0.132   5.122
   73   1HG   GLN  11          2HG       GLN  11  -4.440   1.296   5.753
   74   2HG   GLN  11          1HG       GLN  11  -5.328   0.015   4.929
   75   1HE2  GLN  11          1HE2      GLN  11  -3.702   0.963   7.768
   76   2HE2  GLN  11          2HE2      GLN  11  -3.892  -0.511   8.650
   77    H    ALA  12           H        ALA  12  -1.006   2.291   3.256
   78    HA   ALA  12           HA       ALA  12   0.215   0.400   1.348
   79   1HB   ALA  12          1HB       ALA  12   0.968   3.308   1.327
   80   2HB   ALA  12          2HB       ALA  12  -0.433   2.738   0.415
   81   3HB   ALA  12          3HB       ALA  12   1.170   2.095   0.063
   82    H    TYR  13           H        TYR  13   1.721  -0.658   2.255
   83    HA   TYR  13           HA       TYR  13   2.990   0.173   4.664
   84   1HB   TYR  13          2HB       TYR  13   3.964  -2.144   3.066
   85   2HB   TYR  13          1HB       TYR  13   3.796  -2.008   4.808
   86    HD1  TYR  13           1HD      TYR  13   1.257  -1.754   5.583
   87    HD2  TYR  13           2HD      TYR  13   2.516  -3.506   1.936
   88    HE1  TYR  13           1HE      TYR  13  -0.906  -2.946   5.424
   89    HE2  TYR  13           2HE      TYR  13   0.383  -4.719   1.763
   90    HH   TYR  13           HH       TYR  13  -1.416  -5.518   3.362
   91    H    VAL  14           H        VAL  14   4.944   0.891   5.029
   92    HA   VAL  14           HA       VAL  14   6.893   0.991   2.848
   93    HB   VAL  14           HB       VAL  14   7.382   2.892   4.959
   94   1HG1  VAL  14          1HG1      VAL  14   7.369   4.291   2.595
   95   2HG1  VAL  14          2HG1      VAL  14   7.719   2.641   2.080
   96   3HG1  VAL  14          3HG1      VAL  14   8.746   3.426   3.279
   97   1HG2  VAL  14          1HG2      VAL  14   5.200   3.613   5.136
   98   2HG2  VAL  14          2HG2      VAL  14   4.797   3.137   3.484
   99   3HG2  VAL  14          3HG2      VAL  14   5.731   4.600   3.777
  100    H    ARG  15           H        ARG  15   9.067   0.802   3.734
  101    HA   ARG  15           HA       ARG  15   8.958  -0.810   6.143
  102   1HB   ARG  15          2HB       ARG  15  10.276  -1.158   3.703
  103   2HB   ARG  15          1HB       ARG  15  11.513  -0.891   4.913
  104   1HG   ARG  15          2HG       ARG  15  10.087  -2.574   6.296
  105   2HG   ARG  15          1HG       ARG  15   9.504  -3.056   4.700
  106   1HD   ARG  15          2HD       ARG  15  12.284  -2.881   4.445
  107   2HD   ARG  15          1HD       ARG  15  12.012  -3.657   6.003
  108    HE   ARG  15           HE       ARG  15  10.663  -4.679   3.605
  109   1HH1  ARG  15          1HH1      ARG  15  12.945  -5.153   6.213
  110   2HH1  ARG  15          2HH1      ARG  15  13.069  -6.858   5.952
  111   1HH2  ARG  15          1HH2      ARG  15  10.836  -6.919   3.268
  112   2HH2  ARG  15          2HH2      ARG  15  11.878  -7.860   4.284
  113    H    LYS  16           H        LYS  16   9.010   0.542   7.711
  114    HA   LYS  16           HA       LYS  16  11.271   2.402   7.901
  115   1HB   LYS  16          2HB       LYS  16   8.811   2.582   9.583
  116   2HB   LYS  16          1HB       LYS  16  10.015   3.821   9.315
  117   1HG   LYS  16          2HG       LYS  16   8.097   2.770   7.271
  118   2HG   LYS  16          1HG       LYS  16   8.006   4.326   8.092
  119   1HD   LYS  16          2HD       LYS  16  10.593   4.044   6.937
  120   2HD   LYS  16          1HD       LYS  16   9.387   3.657   5.711
  121   1HE   LYS  16          2HE       LYS  16   8.323   5.889   6.886
  122   2HE   LYS  16          1HE       LYS  16  10.054   6.221   6.956
  123   1HZ   LYS  16          1HZ       LYS  16  10.185   6.444   4.739
  124   2HZ   LYS  16          2HZ       LYS  16   8.523   6.740   4.836
  125   3HZ   LYS  16          3HZ       LYS  16   9.083   5.199   4.423
  126    H    ASP  17           H        ASP  17  12.623   2.337   9.509
  127    HA   ASP  17           HA       ASP  17  13.881   1.457  11.207
  128   1HB   ASP  17          2HB       ASP  17  12.056   2.428  12.521
  129   2HB   ASP  17          1HB       ASP  17  11.140   0.939  12.362
  130    H    GLY  18           H        GLY  18  13.006  -0.241   8.990
  131   1HA   GLY  18          2HA       GLY  18  13.567  -2.416   8.419
  132   2HA   GLY  18          1HA       GLY  18  13.815  -2.774  10.120
  133    H    GLU  19           H        GLU  19  10.824  -1.354   9.916
  134    HA   GLU  19           HA       GLU  19   9.511  -3.901   9.562
  135   1HB   GLU  19          2HB       GLU  19   8.760  -1.699  11.475
  136   2HB   GLU  19          1HB       GLU  19   7.898  -3.222  11.267
  137   1HG   GLU  19          2HG       GLU  19  10.120  -4.321  11.826
  138   2HG   GLU  19          1HG       GLU  19  10.600  -2.739  12.430
  139    H    TRP  20           H        TRP  20   7.282  -3.744   8.943
  140    HA   TRP  20           HA       TRP  20   6.961  -1.822   6.843
  141   1HB   TRP  20          2HB       TRP  20   5.269  -4.165   7.786
  142   2HB   TRP  20          1HB       TRP  20   4.771  -3.112   6.464
  143    HD1  TRP  20           HD       TRP  20   6.469  -6.294   7.010
  144    HE1  TRP  20           1HE      TRP  20   7.830  -6.980   4.931
  145    HE3  TRP  20           3HE      TRP  20   6.457  -1.840   4.574
  146    HZ2  TRP  20           2HZ      TRP  20   8.774  -5.758   2.551
  147    HZ3  TRP  20           3HZ      TRP  20   7.590  -1.662   2.427
  148    HH2  TRP  20           HH       TRP  20   8.735  -3.574   1.417
  149    H    VAL  21           H        VAL  21   5.641  -0.065   6.915
  150    HA   VAL  21           HA       VAL  21   3.634   0.109   9.023
  151    HB   VAL  21           HB       VAL  21   4.478   2.758   8.487
  152   1HG1  VAL  21          1HG1      VAL  21   3.274   1.825  10.469
  153   2HG1  VAL  21          2HG1      VAL  21   4.583   2.943  10.850
  154   3HG1  VAL  21          3HG1      VAL  21   4.826   1.207  11.037
  155   1HG2  VAL  21          1HG2      VAL  21   6.731   2.654   9.634
  156   2HG2  VAL  21          2HG2      VAL  21   6.690   2.097   7.966
  157   3HG2  VAL  21          3HG2      VAL  21   6.732   0.926   9.286
  158    H    LEU  22           H        LEU  22   1.726   0.775   8.280
  159    HA   LEU  22           HA       LEU  22   1.569   1.262   5.451
  160   1HB   LEU  22          2HB       LEU  22  -1.025   1.229   6.424
  161   2HB   LEU  22          1HB       LEU  22  -0.177  -0.028   5.546
  162    HG   LEU  22           HG       LEU  22  -1.128  -1.031   7.475
  163   1HD1  LEU  22          1HD1      LEU  22   1.424  -0.950   8.745
  164   2HD1  LEU  22          2HD1      LEU  22   1.643  -0.922   6.991
  165   3HD1  LEU  22          3HD1      LEU  22   0.722  -2.226   7.752
  166   1HD2  LEU  22          1HD2      LEU  22  -0.505   1.520   8.640
  167   2HD2  LEU  22          2HD2      LEU  22   0.113   0.215   9.658
  168   3HD2  LEU  22          3HD2      LEU  22  -1.598   0.263   9.224
  169    H    LEU  23           H        LEU  23   0.956   2.913   4.521
  170    HA   LEU  23           HA       LEU  23   1.057   5.448   5.821
  171   1HB   LEU  23          2HB       LEU  23   0.261   4.729   3.001
  172   2HB   LEU  23          1HB       LEU  23   0.519   6.365   3.574
  173    HG   LEU  23           HG       LEU  23   2.680   4.276   3.701
  174   1HD1  LEU  23          1HD1      LEU  23   2.718   4.290   1.471
  175   2HD1  LEU  23          2HD1      LEU  23   3.333   5.937   1.612
  176   3HD1  LEU  23          3HD1      LEU  23   1.608   5.657   1.373
  177   1HD2  LEU  23          1HD2      LEU  23   3.364   7.087   3.317
  178   2HD2  LEU  23          2HD2      LEU  23   3.994   5.912   4.472
  179   3HD2  LEU  23          3HD2      LEU  23   2.495   6.774   4.819
  180    H    SER  24           H        SER  24  -0.998   4.130   7.073
  181    HA   SER  24           HA       SER  24  -3.507   5.084   5.956
  182   1HB   SER  24          2HB       SER  24  -3.096   2.808   7.179
  183   2HB   SER  24          1HB       SER  24  -3.257   3.773   8.647
  184    HG   SER  24           HG       SER  24  -5.223   2.753   7.590
  185    H    THR  25           H        THR  25  -3.276   7.335   6.131
  186    HA   THR  25           HA       THR  25  -2.628   8.549   8.654
  187    HB   THR  25           HB       THR  25  -3.674   9.747   6.082
  188    HG1  THR  25           1HG      THR  25  -1.088   9.494   7.195
  189   1HG2  THR  25          1HG2      THR  25  -2.314  11.732   7.366
  190   2HG2  THR  25          2HG2      THR  25  -3.201  10.967   8.684
  191   3HG2  THR  25          3HG2      THR  25  -4.069  11.582   7.278
  192    H    PHE  26           H        PHE  26  -5.442   9.512   6.736
  193    HA   PHE  26           HA       PHE  26  -7.025   9.507   9.190
  194   1HB   PHE  26          2HB       PHE  26  -6.865  11.500   7.556
  195   2HB   PHE  26          1HB       PHE  26  -7.947  10.566   6.529
  196    HD1  PHE  26           1HD      PHE  26 -10.237  10.700   6.839
  197    HD2  PHE  26           2HD      PHE  26  -7.635  11.915   9.980
  198    HE1  PHE  26           1HE      PHE  26 -12.169  11.538   8.109
  199    HE2  PHE  26           2HE      PHE  26  -9.563  12.756  11.256
  200    HZ   PHE  26           HZ       PHE  26 -11.833  12.568  10.321
  201    H    LEU  27           H        LEU  27  -6.756   7.881   6.136
  202    HA   LEU  27           HA       LEU  27  -8.755   5.953   6.984
  203   1HB   LEU  27          2HB       LEU  27  -9.552   7.979   5.328
  204   2HB   LEU  27          1HB       LEU  27  -9.101   6.738   4.175
  205   1HD1  LEU  27          1HD2      LEU  27 -11.335   4.582   4.155
  206   2HD1  LEU  27          2HD2      LEU  27 -11.035   4.155   5.840
  207   3HD1  LEU  27          3HD2      LEU  27  -9.681   4.503   4.764
  208   1HD2  LEU  27          1HD1      LEU  27 -11.033   7.401   7.167
  209   2HD2  LEU  27          2HD1      LEU  27 -10.736   5.688   7.462
  210   3HD2  LEU  27          3HD1      LEU  27 -12.312   6.222   6.880
  Start of MODEL    6
    1   1H    GLY   1          1H        GLY   1  -2.203 -19.540  -5.761
    2   1HA   GLY   1          2HA       GLY   1  -0.625 -21.039  -4.693
    3   2HA   GLY   1          1HA       GLY   1   0.673 -20.062  -5.361
    4    H    TYR   2           H        TYR   2   0.721 -17.752  -4.583
    5    HA   TYR   2           HA       TYR   2   0.680 -17.767  -1.712
    6   1HB   TYR   2          2HB       TYR   2   1.447 -15.685  -3.756
    7   2HB   TYR   2          1HB       TYR   2   1.480 -15.366  -2.026
    8    HD1  TYR   2           1HD      TYR   2   2.722 -17.436  -0.701
    9    HD2  TYR   2           2HD      TYR   2   3.495 -16.151  -4.682
   10    HE1  TYR   2           1HE      TYR   2   4.980 -18.398  -0.566
   11    HE2  TYR   2           2HE      TYR   2   5.756 -17.111  -4.559
   12    HH   TYR   2           HH       TYR   2   7.212 -18.022  -1.696
   13    H    ILE   3           H        ILE   3  -0.593 -16.532  -0.338
   14    HA   ILE   3           HA       ILE   3  -3.211 -15.945  -1.273
   15    HB   ILE   3           HB       ILE   3  -2.314 -15.104   1.430
   16   1HG1  ILE   3          2HG1      ILE   3  -2.801 -17.625   2.008
   17   2HG1  ILE   3          1HG1      ILE   3  -2.246 -17.910   0.383
   18   1HG2  ILE   3          1HG2      ILE   3  -4.498 -16.104   2.045
   19   2HG2  ILE   3          2HG2      ILE   3  -4.751 -16.503   0.345
   20   3HG2  ILE   3          3HG2      ILE   3  -4.626 -14.816   0.846
   21   1HD1  ILE   3          1HD1      ILE   3  -0.743 -17.544   2.749
   22   2HD1  ILE   3          2HD1      ILE   3  -0.409 -16.179   1.684
   23   3HD1  ILE   3          3HD1      ILE   3  -0.158 -17.827   1.110
   24    HA   PRO   4           HA       PRO   4  -2.016 -11.662  -2.129
   25   1HB   PRO   4          2HB       PRO   4  -4.234 -10.982  -3.495
   26   2HB   PRO   4          1HB       PRO   4  -2.962 -11.978  -4.213
   27   1HG   PRO   4          2HG       PRO   4  -5.574 -12.820  -3.015
   28   2HG   PRO   4          1HG       PRO   4  -4.800 -13.376  -4.510
   29   1HD   PRO   4          2HD       PRO   4  -4.693 -14.766  -2.170
   30   2HD   PRO   4          1HD       PRO   4  -3.412 -14.830  -3.396
   31    H    GLU   5           H        GLU   5  -2.493  -9.749  -1.129
   32    HA   GLU   5           HA       GLU   5  -4.180  -9.823   1.128
   33   1HB   GLU   5          2HB       GLU   5  -3.543  -7.412   1.373
   34   2HB   GLU   5          1HB       GLU   5  -2.183  -8.521   1.277
   35   1HG   GLU   5          2HG       GLU   5  -3.087  -7.363  -1.277
   36   2HG   GLU   5          1HG       GLU   5  -2.360  -6.244  -0.126
   37    H    ALA   6           H        ALA   6  -6.253 -10.226   0.340
   38    HA   ALA   6           HA       ALA   6  -7.522  -8.643  -1.628
   39   1HB   ALA   6          1HB       ALA   6  -9.510  -9.748   0.034
   40   2HB   ALA   6          2HB       ALA   6  -8.186 -10.913  -0.029
   41   3HB   ALA   6          3HB       ALA   6  -8.933 -10.344  -1.520
   42    HA   PRO   7           HA       PRO   7  -9.562  -6.358   2.143
   43   1HB   PRO   7          2HB       PRO   7  -8.074  -6.287   4.426
   44   2HB   PRO   7          1HB       PRO   7  -9.333  -7.488   4.127
   45   1HG   PRO   7          2HG       PRO   7  -6.368  -7.731   3.810
   46   2HG   PRO   7          1HG       PRO   7  -7.520  -8.892   4.497
   47   1HD   PRO   7          2HD       PRO   7  -6.552  -9.136   1.996
   48   2HD   PRO   7          1HD       PRO   7  -8.200  -9.637   2.423
   49    H    ARG   8           H        ARG   8  -9.299  -4.242   1.776
   50    HA   ARG   8           HA       ARG   8  -6.618  -3.128   1.838
   51   1HB   ARG   8          2HB       ARG   8  -7.691  -3.387  -0.435
   52   2HB   ARG   8          1HB       ARG   8  -8.788  -2.116   0.039
   53   1HG   ARG   8          2HG       ARG   8  -6.321  -1.060   0.617
   54   2HG   ARG   8          1HG       ARG   8  -6.012  -1.994  -0.843
   55   1HD   ARG   8          2HD       ARG   8  -8.237  -0.803  -1.636
   56   2HD   ARG   8          1HD       ARG   8  -7.740   0.388  -0.435
   57    HE   ARG   8           HE       ARG   8  -5.676  -0.386  -2.300
   58   1HH1  ARG   8          1HH1      ARG   8  -8.285   1.838  -1.636
   59   2HH1  ARG   8          2HH1      ARG   8  -7.667   3.068  -2.685
   60   1HH2  ARG   8          1HH2      ARG   8  -4.866   1.232  -3.680
   61   2HH2  ARG   8          2HH2      ARG   8  -5.728   2.725  -3.846
   62    H    ASP   9           H        ASP   9  -6.523  -0.950   2.368
   63    HA   ASP   9           HA       ASP   9  -8.814   0.192   3.625
   64   1HB   ASP   9          2HB       ASP   9  -7.486  -1.226   5.247
   65   2HB   ASP   9          1HB       ASP   9  -6.246   0.025   5.153
   66    H    GLY  10           H        GLY  10  -6.825   0.700   1.348
   67   1HA   GLY  10          2HA       GLY  10  -6.141   2.586   0.270
   68   2HA   GLY  10          1HA       GLY  10  -6.868   3.535   1.548
   69    H    GLN  11           H        GLN  11  -4.889   1.341   2.868
   70    HA   GLN  11           HA       GLN  11  -2.775   3.307   3.301
   71   1HB   GLN  11          2HB       GLN  11  -3.053   0.656   4.706
   72   2HB   GLN  11          1HB       GLN  11  -2.175   2.083   5.239
   73   1HG   GLN  11          2HG       GLN  11  -5.141   2.168   4.870
   74   2HG   GLN  11          1HG       GLN  11  -4.428   1.512   6.343
   75   1HE2  GLN  11          1HE2      GLN  11  -2.658   2.991   7.267
   76   2HE2  GLN  11          2HE2      GLN  11  -3.066   4.666   7.367
   77    H    ALA  12           H        ALA  12  -0.607   2.873   3.010
   78    HA   ALA  12           HA       ALA  12   0.058   0.441   1.486
   79   1HB   ALA  12          1HB       ALA  12   1.282   1.587  -0.125
   80   2HB   ALA  12          2HB       ALA  12   1.429   3.037   0.866
   81   3HB   ALA  12          3HB       ALA  12  -0.113   2.642   0.101
   82    H    TYR  13           H        TYR  13   1.865  -0.577   2.096
   83    HA   TYR  13           HA       TYR  13   3.136   0.383   4.516
   84   1HB   TYR  13          2HB       TYR  13   3.856  -2.182   3.178
   85   2HB   TYR  13          1HB       TYR  13   3.849  -1.809   4.880
   86    HD1  TYR  13           1HD      TYR  13   2.847  -4.322   3.786
   87    HD2  TYR  13           2HD      TYR  13   0.742  -0.675   4.446
   88    HE1  TYR  13           1HE      TYR  13   0.737  -5.563   3.990
   89    HE2  TYR  13           2HE      TYR  13  -1.352  -1.904   4.650
   90    HH   TYR  13           HH       TYR  13  -1.747  -5.044   3.663
   91    H    VAL  14           H        VAL  14   5.096   1.025   4.762
   92    HA   VAL  14           HA       VAL  14   7.011   0.766   2.560
   93    HB   VAL  14           HB       VAL  14   7.656   2.792   4.530
   94   1HG1  VAL  14          1HG1      VAL  14   9.096   3.002   2.833
   95   2HG1  VAL  14          2HG1      VAL  14   7.840   3.995   2.094
   96   3HG1  VAL  14          3HG1      VAL  14   7.981   2.289   1.667
   97   1HG2  VAL  14          1HG2      VAL  14   5.120   3.096   2.987
   98   2HG2  VAL  14          2HG2      VAL  14   6.169   4.503   3.133
   99   3HG2  VAL  14          3HG2      VAL  14   5.551   3.718   4.584
  100    H    ARG  15           H        ARG  15   9.201   0.551   3.434
  101    HA   ARG  15           HA       ARG  15   9.040  -0.946   5.912
  102   1HB   ARG  15          2HB       ARG  15  10.356  -1.422   3.503
  103   2HB   ARG  15          1HB       ARG  15  11.611  -1.084   4.685
  104   1HG   ARG  15          2HG       ARG  15  10.202  -2.695   6.169
  105   2HG   ARG  15          1HG       ARG  15   9.607  -3.264   4.607
  106   1HD   ARG  15          2HD       ARG  15  12.349  -3.118   4.252
  107   2HD   ARG  15          1HD       ARG  15  12.178  -3.717   5.901
  108    HE   ARG  15           HE       ARG  15  11.497  -5.101   3.462
  109   1HH1  ARG  15          1HH1      ARG  15  11.025  -4.934   6.917
  110   2HH1  ARG  15          2HH1      ARG  15  10.557  -6.594   7.058
  111   1HH2  ARG  15          1HH2      ARG  15  10.884  -7.285   3.648
  112   2HH2  ARG  15          2HH2      ARG  15  10.476  -7.929   5.204
  113    H    LYS  16           H        LYS  16   9.093   0.473   7.426
  114    HA   LYS  16           HA       LYS  16  11.322   2.382   7.524
  115   1HB   LYS  16          2HB       LYS  16   8.896   2.646   9.237
  116   2HB   LYS  16          1HB       LYS  16  10.030   3.888   8.762
  117   1HG   LYS  16          2HG       LYS  16   8.996   4.302   6.805
  118   2HG   LYS  16          1HG       LYS  16   8.513   2.626   6.564
  119   1HD   LYS  16          2HD       LYS  16   6.524   2.941   7.533
  120   2HD   LYS  16          1HD       LYS  16   7.211   3.899   8.847
  121   1HE   LYS  16          2HE       LYS  16   6.734   5.843   7.832
  122   2HE   LYS  16          1HE       LYS  16   7.237   5.247   6.250
  123   1HZ   LYS  16          1HZ       LYS  16   5.042   5.407   5.845
  124   2HZ   LYS  16          2HZ       LYS  16   4.599   5.269   7.471
  125   3HZ   LYS  16          3HZ       LYS  16   4.986   3.884   6.580
  126    H    ASP  17           H        ASP  17  12.690   2.438   9.157
  127    HA   ASP  17           HA       ASP  17  13.917   1.705  10.932
  128   1HB   ASP  17          2HB       ASP  17  12.025   2.654  12.160
  129   2HB   ASP  17          1HB       ASP  17  11.167   1.128  12.036
  130    H    GLY  18           H        GLY  18  13.237  -0.098   8.767
  131   1HA   GLY  18          2HA       GLY  18  13.810  -2.278   8.274
  132   2HA   GLY  18          1HA       GLY  18  14.135  -2.543   9.980
  133    H    GLU  19           H        GLU  19  11.061  -1.245   9.655
  134    HA   GLU  19           HA       GLU  19   9.850  -3.862   9.552
  135   1HB   GLU  19          2HB       GLU  19   9.024  -1.567  11.318
  136   2HB   GLU  19          1HB       GLU  19   8.260  -3.153  11.251
  137   1HG   GLU  19          2HG       GLU  19  10.545  -4.070  11.838
  138   2HG   GLU  19          1HG       GLU  19  10.957  -2.418  12.285
  139    H    TRP  20           H        TRP  20   7.621  -3.840   8.971
  140    HA   TRP  20           HA       TRP  20   7.170  -2.045   6.778
  141   1HB   TRP  20          2HB       TRP  20   5.706  -4.488   7.835
  142   2HB   TRP  20          1HB       TRP  20   5.067  -3.524   6.511
  143    HD1  TRP  20           HD       TRP  20   7.104  -6.497   7.067
  144    HE1  TRP  20           1HE      TRP  20   8.460  -7.082   4.956
  145    HE3  TRP  20           3HE      TRP  20   6.500  -2.126   4.532
  146    HZ2  TRP  20           2HZ      TRP  20   9.186  -5.827   2.520
  147    HZ3  TRP  20           3HZ      TRP  20   7.557  -1.895   2.341
  148    HH2  TRP  20           HH       TRP  20   8.867  -3.693   1.339
  149    H    VAL  21           H        VAL  21   6.009  -0.213   6.982
  150    HA   VAL  21           HA       VAL  21   3.819  -0.129   8.915
  151    HB   VAL  21           HB       VAL  21   5.051   2.475   8.687
  152   1HG1  VAL  21          1HG1      VAL  21   3.847   0.730  10.732
  153   2HG1  VAL  21          2HG1      VAL  21   3.562   2.434  10.375
  154   3HG1  VAL  21          3HG1      VAL  21   4.979   1.954  11.310
  155   1HG2  VAL  21          1HG2      VAL  21   7.195   1.498   8.674
  156   2HG2  VAL  21          2HG2      VAL  21   6.710   0.220   9.786
  157   3HG2  VAL  21          3HG2      VAL  21   6.894   1.873  10.368
  158    H    LEU  22           H        LEU  22   2.044   0.994   8.191
  159    HA   LEU  22           HA       LEU  22   2.157   1.713   5.418
  160   1HB   LEU  22          2HB       LEU  22  -0.489   1.987   6.325
  161   2HB   LEU  22          1HB       LEU  22   0.195   0.805   5.234
  162    HG   LEU  22           HG       LEU  22  -0.957  -0.358   6.959
  163   1HD1  LEU  22          1HD1      LEU  22   0.636  -1.896   6.972
  164   2HD1  LEU  22          2HD1      LEU  22   1.609  -0.941   8.092
  165   3HD1  LEU  22          3HD1      LEU  22   1.749  -0.673   6.351
  166   1HD2  LEU  22          1HD2      LEU  22   0.467   0.171   9.298
  167   2HD2  LEU  22          2HD2      LEU  22  -1.194   0.640   8.931
  168   3HD2  LEU  22          3HD2      LEU  22   0.134   1.751   8.584
  169    H    LEU  23           H        LEU  23   1.531   3.421   4.510
  170    HA   LEU  23           HA       LEU  23   2.065   5.894   5.813
  171   1HB   LEU  23          2HB       LEU  23   0.949   5.171   3.115
  172   2HB   LEU  23          1HB       LEU  23   1.092   6.843   3.622
  173    HG   LEU  23           HG       LEU  23   3.539   5.201   3.873
  174   1HD1  LEU  23          1HD1      LEU  23   3.107   6.278   1.170
  175   2HD1  LEU  23          2HD1      LEU  23   2.181   4.831   1.570
  176   3HD1  LEU  23          3HD1      LEU  23   3.941   4.814   1.694
  177   1HD2  LEU  23          1HD2      LEU  23   2.805   8.009   3.138
  178   2HD2  LEU  23          2HD2      LEU  23   4.411   7.372   2.788
  179   3HD2  LEU  23          3HD2      LEU  23   3.829   7.431   4.451
  180    H    SER  24           H        SER  24   0.170   7.704   4.989
  181    HA   SER  24           HA       SER  24  -2.443   6.795   5.853
  182   1HB   SER  24          2HB       SER  24  -1.633   7.235   8.011
  183   2HB   SER  24          1HB       SER  24  -0.707   8.636   7.472
  184    HG   SER  24           HG       SER  24  -2.434   9.850   7.638
  185    H    THR  25           H        THR  25  -3.809   7.668   4.462
  186    HA   THR  25           HA       THR  25  -3.121  10.048   2.975
  187    HB   THR  25           HB       THR  25  -4.213   8.160   1.850
  188    HG1  THR  25           1HG      THR  25  -5.875   9.384   0.851
  189   1HG2  THR  25          1HG2      THR  25  -5.913   8.116   4.077
  190   2HG2  THR  25          2HG2      THR  25  -5.966   7.086   2.647
  191   3HG2  THR  25          3HG2      THR  25  -6.905   8.578   2.695
  192    H    PHE  26           H        PHE  26  -5.426  11.372   2.572
  193    HA   PHE  26           HA       PHE  26  -5.808  12.707   5.120
  194   1HB   PHE  26          2HB       PHE  26  -5.391  13.988   3.019
  195   2HB   PHE  26          1HB       PHE  26  -6.944  13.425   2.411
  196    HD1  PHE  26           1HD      PHE  26  -5.372  15.359   5.156
  197    HD2  PHE  26           2HD      PHE  26  -8.908  14.568   2.924
  198    HE1  PHE  26           1HE      PHE  26  -6.483  17.262   6.249
  199    HE2  PHE  26           2HE      PHE  26 -10.026  16.471   4.013
  200    HZ   PHE  26           HZ       PHE  26  -8.813  17.821   5.678
  201    H    LEU  27           H        LEU  27  -8.112  11.830   2.541
  202    HA   LEU  27           HA       LEU  27 -10.225  11.560   4.500
  203   1HB   LEU  27          2HB       LEU  27 -10.052  12.091   1.703
  204   2HB   LEU  27          1HB       LEU  27 -11.063  10.675   1.928
  205   1HD1  LEU  27          1HD2      LEU  27 -11.381  13.507   0.958
  206   2HD1  LEU  27          2HD2      LEU  27 -12.636  14.277   1.929
  207   3HD1  LEU  27          3HD2      LEU  27 -13.009  12.829   0.991
  208   1HD2  LEU  27          1HD1      LEU  27 -12.701  10.665   3.560
  209   2HD2  LEU  27          2HD1      LEU  27 -13.744  11.505   2.412
  210   3HD2  LEU  27          3HD1      LEU  27 -13.543  12.137   4.046
  Start of MODEL    7
    1   1H    GLY   1          1H        GLY   1 -20.197 -21.387   5.195
    2   1HA   GLY   1          2HA       GLY   1 -21.309 -19.198   3.567
    3   2HA   GLY   1          1HA       GLY   1 -21.493 -19.164   5.313
    4    H    TYR   2           H        TYR   2 -18.941 -19.557   2.855
    5    HA   TYR   2           HA       TYR   2 -16.869 -18.656   4.583
    6   1HB   TYR   2          2HB       TYR   2 -15.469 -18.657   2.582
    7   2HB   TYR   2          1HB       TYR   2 -16.443 -20.121   2.651
    8    HD1  TYR   2           1HD      TYR   2 -15.812 -17.011   0.851
    9    HD2  TYR   2           2HD      TYR   2 -18.297 -20.457   1.084
   10    HE1  TYR   2           1HE      TYR   2 -16.659 -16.547  -1.410
   11    HE2  TYR   2           2HE      TYR   2 -19.149 -20.003  -1.177
   12    HH   TYR   2           HH       TYR   2 -17.939 -18.511  -3.335
   13    H    ILE   3           H        ILE   3 -15.848 -16.677   4.698
   14    HA   ILE   3           HA       ILE   3 -17.443 -14.419   3.893
   15    HB   ILE   3           HB       ILE   3 -14.884 -14.374   5.479
   16   1HG1  ILE   3          2HG1      ILE   3 -17.738 -14.821   6.326
   17   2HG1  ILE   3          1HG1      ILE   3 -16.303 -15.726   6.786
   18   1HG2  ILE   3          1HG2      ILE   3 -15.657 -12.201   6.233
   19   2HG2  ILE   3          2HG2      ILE   3 -17.133 -12.374   5.283
   20   3HG2  ILE   3          3HG2      ILE   3 -15.572 -12.241   4.471
   21   1HD1  ILE   3          1HD1      ILE   3 -16.391 -14.578   8.683
   22   2HD1  ILE   3          2HD1      ILE   3 -17.505 -13.387   8.012
   23   3HD1  ILE   3          3HD1      ILE   3 -15.769 -13.216   7.751
   24    HA   PRO   4           HA       PRO   4 -14.930 -14.018   0.163
   25   1HB   PRO   4          2HB       PRO   4 -16.373 -11.420   0.063
   26   2HB   PRO   4          1HB       PRO   4 -16.203 -12.661  -1.183
   27   1HG   PRO   4          2HG       PRO   4 -18.502 -12.353   0.130
   28   2HG   PRO   4          1HG       PRO   4 -17.904 -13.966  -0.304
   29   1HD   PRO   4          2HD       PRO   4 -17.868 -12.577   2.343
   30   2HD   PRO   4          1HD       PRO   4 -18.150 -14.291   1.970
   31    H    GLU   5           H        GLU   5 -12.875 -13.383   0.261
   32    HA   GLU   5           HA       GLU   5 -11.960 -11.481   2.129
   33   1HB   GLU   5          2HB       GLU   5 -10.580 -12.942  -0.112
   34   2HB   GLU   5          1HB       GLU   5  -9.741 -11.844   0.975
   35   1HG   GLU   5          2HG       GLU   5  -9.977 -13.248   2.792
   36   2HG   GLU   5          1HG       GLU   5 -11.342 -14.108   2.079
   37    H    ALA   6           H        ALA   6 -12.760  -9.453   1.725
   38    HA   ALA   6           HA       ALA   6 -12.805  -8.268  -0.861
   39   1HB   ALA   6          1HB       ALA   6 -12.926  -6.852   1.795
   40   2HB   ALA   6          2HB       ALA   6 -14.307  -7.633   1.026
   41   3HB   ALA   6          3HB       ALA   6 -13.516  -6.266   0.239
   42    HA   PRO   7           HA       PRO   7  -8.462  -7.140  -0.840
   43   1HB   PRO   7          2HB       PRO   7  -8.382  -6.008  -3.283
   44   2HB   PRO   7          1HB       PRO   7  -8.491  -7.759  -3.067
   45   1HG   PRO   7          2HG       PRO   7 -10.653  -5.791  -3.709
   46   2HG   PRO   7          1HG       PRO   7 -10.363  -7.399  -4.398
   47   1HD   PRO   7          2HD       PRO   7 -12.219  -6.906  -2.458
   48   2HD   PRO   7          1HD       PRO   7 -11.402  -8.468  -2.656
   49    H    ARG   8           H        ARG   8  -7.368  -5.311  -0.241
   50    HA   ARG   8           HA       ARG   8  -8.850  -2.805  -0.266
   51   1HB   ARG   8          2HB       ARG   8  -8.275  -3.815   1.963
   52   2HB   ARG   8          1HB       ARG   8  -6.601  -3.467   1.602
   53   1HG   ARG   8          2HG       ARG   8  -7.135  -1.623   2.811
   54   2HG   ARG   8          1HG       ARG   8  -7.576  -1.051   1.205
   55   1HD   ARG   8          2HD       ARG   8  -9.613  -2.462   2.859
   56   2HD   ARG   8          1HD       ARG   8  -9.224  -0.785   3.227
   57    HE   ARG   8           HE       ARG   8 -10.325  -1.756   0.673
   58   1HH1  ARG   8          1HH1      ARG   8  -9.768   0.840   2.955
   59   2HH1  ARG   8          2HH1      ARG   8 -10.761   1.965   2.094
   60   1HH2  ARG   8          1HH2      ARG   8 -11.622  -0.267  -0.448
   61   2HH2  ARG   8          2HH2      ARG   8 -11.809   1.341   0.168
   62    H    ASP   9           H        ASP   9  -7.688  -0.945  -0.604
   63    HA   ASP   9           HA       ASP   9  -5.052  -1.151  -1.644
   64   1HB   ASP   9          2HB       ASP   9  -6.787  -1.643  -3.448
   65   2HB   ASP   9          1HB       ASP   9  -7.104   0.092  -3.417
   66    H    GLY  10           H        GLY  10  -6.821   0.417   0.390
   67   1HA   GLY  10          2HA       GLY  10  -5.984   3.061  -0.317
   68   2HA   GLY  10          1HA       GLY  10  -7.117   2.679   0.942
   69    H    GLN  11           H        GLN  11  -4.611   0.640   1.119
   70    HA   GLN  11           HA       GLN  11  -3.112   2.297   3.024
   71   1HB   GLN  11          2HB       GLN  11  -2.974   0.492   4.526
   72   2HB   GLN  11          1HB       GLN  11  -4.653   0.561   4.004
   73   1HG   GLN  11          2HG       GLN  11  -4.137  -1.236   2.356
   74   2HG   GLN  11          1HG       GLN  11  -2.548  -1.382   3.104
   75   1HE2  GLN  11          1HE2      GLN  11  -4.121  -3.557   3.024
   76   2HE2  GLN  11          2HE2      GLN  11  -4.732  -3.932   4.595
   77    H    ALA  12           H        ALA  12  -0.956   2.333   2.791
   78    HA   ALA  12           HA       ALA  12   0.286   0.238   1.130
   79   1HB   ALA  12          1HB       ALA  12   1.146   3.123   0.993
   80   2HB   ALA  12          2HB       ALA  12  -0.027   2.422  -0.122
   81   3HB   ALA  12          3HB       ALA  12   1.619   1.793  -0.061
   82    H    TYR  13           H        TYR  13   1.885  -0.740   2.055
   83    HA   TYR  13           HA       TYR  13   2.925   0.227   4.589
   84   1HB   TYR  13          2HB       TYR  13   3.796  -2.313   3.275
   85   2HB   TYR  13          1HB       TYR  13   3.696  -1.949   4.975
   86    HD1  TYR  13           1HD      TYR  13   2.827  -4.487   3.900
   87    HD2  TYR  13           2HD      TYR  13   0.580  -0.894   4.331
   88    HE1  TYR  13           1HE      TYR  13   0.749  -5.789   4.038
   89    HE2  TYR  13           2HE      TYR  13  -1.479  -2.181   4.477
   90    HH   TYR  13           HH       TYR  13  -1.773  -5.113   5.240
   91    H    VAL  14           H        VAL  14   4.892   0.898   4.979
   92    HA   VAL  14           HA       VAL  14   6.914   0.719   2.865
   93    HB   VAL  14           HB       VAL  14   7.437   2.715   4.897
   94   1HG1  VAL  14          1HG1      VAL  14   7.766   2.379   1.977
   95   2HG1  VAL  14          2HG1      VAL  14   8.939   2.847   3.209
   96   3HG1  VAL  14          3HG1      VAL  14   7.777   4.028   2.604
   97   1HG2  VAL  14          1HG2      VAL  14   5.969   4.431   3.498
   98   2HG2  VAL  14          2HG2      VAL  14   5.305   3.587   4.893
   99   3HG2  VAL  14          3HG2      VAL  14   4.958   3.009   3.261
  100    H    ARG  15           H        ARG  15   9.062   0.525   3.806
  101    HA   ARG  15           HA       ARG  15   8.868  -0.993   6.270
  102   1HB   ARG  15          2HB       ARG  15  10.207  -1.474   3.872
  103   2HB   ARG  15          1HB       ARG  15  11.447  -1.143   5.067
  104   1HG   ARG  15          2HG       ARG  15  10.056  -2.752   6.541
  105   2HG   ARG  15          1HG       ARG  15   9.412  -3.299   4.991
  106   1HD   ARG  15          2HD       ARG  15  12.221  -3.129   4.713
  107   2HD   ARG  15          1HD       ARG  15  11.907  -3.955   6.237
  108    HE   ARG  15           HE       ARG  15  10.371  -5.405   4.787
  109   1HH1  ARG  15          1HH1      ARG  15  13.375  -3.997   3.677
  110   2HH1  ARG  15          2HH1      ARG  15  13.645  -5.222   2.487
  111   1HH2  ARG  15          1HH2      ARG  15  10.738  -7.009   3.220
  112   2HH2  ARG  15          2HH2      ARG  15  12.155  -6.928   2.226
  113    H    LYS  16           H        LYS  16   8.927   0.425   7.791
  114    HA   LYS  16           HA       LYS  16  11.189   2.290   7.904
  115   1HB   LYS  16          2HB       LYS  16   8.726   2.547   9.570
  116   2HB   LYS  16          1HB       LYS  16   9.926   3.774   9.238
  117   1HG   LYS  16          2HG       LYS  16   8.009   2.619   7.247
  118   2HG   LYS  16          1HG       LYS  16   7.905   4.207   8.001
  119   1HD   LYS  16          2HD       LYS  16  10.426   4.254   6.986
  120   2HD   LYS  16          1HD       LYS  16   9.588   3.265   5.788
  121   1HE   LYS  16          2HE       LYS  16   8.822   5.141   4.875
  122   2HE   LYS  16          1HE       LYS  16   7.864   5.399   6.333
  123   1HZ   LYS  16          1HZ       LYS  16   9.335   7.285   5.700
  124   2HZ   LYS  16          2HZ       LYS  16  10.673   6.306   6.037
  125   3HZ   LYS  16          3HZ       LYS  16   9.588   6.709   7.271
  126    H    ASP  17           H        ASP  17  12.542   2.304   9.484
  127    HA   ASP  17           HA       ASP  17  13.816   1.522  11.218
  128   1HB   ASP  17          2HB       ASP  17  12.017   2.587  12.495
  129   2HB   ASP  17          1HB       ASP  17  11.084   1.102  12.435
  130    H    GLY  18           H        GLY  18  12.965  -0.283   9.118
  131   1HA   GLY  18          2HA       GLY  18  13.488  -2.491   8.667
  132   2HA   GLY  18          1HA       GLY  18  13.739  -2.758  10.385
  133    H    GLU  19           H        GLU  19  10.774  -1.311  10.127
  134    HA   GLU  19           HA       GLU  19   9.423  -3.858   9.962
  135   1HB   GLU  19          2HB       GLU  19   8.705  -1.472  11.654
  136   2HB   GLU  19          1HB       GLU  19   7.795  -2.979  11.568
  137   1HG   GLU  19          2HG       GLU  19   9.982  -4.092  12.258
  138   2HG   GLU  19          1HG       GLU  19  10.491  -2.476  12.739
  139    H    TRP  20           H        TRP  20   7.231  -3.755   9.301
  140    HA   TRP  20           HA       TRP  20   6.917  -1.995   7.049
  141   1HB   TRP  20          2HB       TRP  20   5.370  -4.392   8.089
  142   2HB   TRP  20          1HB       TRP  20   4.797  -3.438   6.728
  143    HD1  TRP  20           HD       TRP  20   6.737  -6.446   7.400
  144    HE1  TRP  20           1HE      TRP  20   8.141  -7.107   5.343
  145    HE3  TRP  20           3HE      TRP  20   6.356  -2.103   4.777
  146    HZ2  TRP  20           2HZ      TRP  20   8.977  -5.917   2.910
  147    HZ3  TRP  20           3HZ      TRP  20   7.475  -1.942   2.617
  148    HH2  TRP  20           HH       TRP  20   8.762  -3.796   1.685
  149    H    VAL  21           H        VAL  21   5.647  -0.209   7.074
  150    HA   VAL  21           HA       VAL  21   3.469  -0.019   9.008
  151    HB   VAL  21           HB       VAL  21   4.520   2.601   8.672
  152   1HG1  VAL  21          1HG1      VAL  21   4.739   1.287  11.296
  153   2HG1  VAL  21          2HG1      VAL  21   3.146   1.245  10.539
  154   3HG1  VAL  21          3HG1      VAL  21   3.941   2.790  10.837
  155   1HG2  VAL  21          1HG2      VAL  21   6.534   0.555   9.564
  156   2HG2  VAL  21          2HG2      VAL  21   6.595   2.221  10.136
  157   3HG2  VAL  21          3HG2      VAL  21   6.737   1.880   8.416
  158    H    LEU  22           H        LEU  22   1.652   0.887   8.143
  159    HA   LEU  22           HA       LEU  22   1.824   1.540   5.358
  160   1HB   LEU  22          2HB       LEU  22  -0.869   1.659   6.159
  161   2HB   LEU  22          1HB       LEU  22  -0.064   0.505   5.121
  162    HG   LEU  22           HG       LEU  22  -1.211  -0.683   6.842
  163   1HD1  LEU  22          1HD1      LEU  22   0.463  -2.128   6.881
  164   2HD1  LEU  22          2HD1      LEU  22   1.334  -1.136   8.053
  165   3HD1  LEU  22          3HD1      LEU  22   1.539  -0.845   6.321
  166   1HD2  LEU  22          1HD2      LEU  22   0.116  -0.055   9.205
  167   2HD2  LEU  22          2HD2      LEU  22  -1.549   0.350   8.783
  168   3HD2  LEU  22          3HD2      LEU  22  -0.251   1.502   8.457
  169    H    LEU  23           H        LEU  23   1.141   3.162   4.372
  170    HA   LEU  23           HA       LEU  23   1.495   5.709   5.561
  171   1HB   LEU  23          2HB       LEU  23   0.546   4.740   2.887
  172   2HB   LEU  23          1HB       LEU  23   0.454   6.448   3.286
  173    HG   LEU  23           HG       LEU  23   3.032   4.912   3.496
  174   1HD1  LEU  23          1HD1      LEU  23   3.594   5.415   1.296
  175   2HD1  LEU  23          2HD1      LEU  23   2.281   6.581   1.125
  176   3HD1  LEU  23          3HD1      LEU  23   1.927   4.855   1.183
  177   1HD2  LEU  23          1HD2      LEU  23   2.180   7.751   3.650
  178   2HD2  LEU  23          2HD2      LEU  23   3.746   7.396   2.920
  179   3HD2  LEU  23          3HD2      LEU  23   3.406   6.883   4.573
  180    H    SER  24           H        SER  24  -0.346   7.438   4.742
  181    HA   SER  24           HA       SER  24  -2.513   7.017   6.545
  182   1HB   SER  24          2HB       SER  24  -1.410   9.247   5.918
  183   2HB   SER  24          1HB       SER  24  -2.390   9.186   4.453
  184    HG   SER  24           HG       SER  24  -3.672  10.239   5.830
  185    H    THR  25           H        THR  25  -4.565   6.384   6.172
  186    HA   THR  25           HA       THR  25  -5.169   5.206   3.606
  187    HB   THR  25           HB       THR  25  -7.296   5.367   5.653
  188    HG1  THR  25           1HG      THR  25  -4.946   3.854   6.124
  189   1HG2  THR  25          1HG2      THR  25  -7.640   3.892   3.816
  190   2HG2  THR  25          2HG2      THR  25  -7.361   2.917   5.259
  191   3HG2  THR  25          3HG2      THR  25  -6.073   3.123   4.072
  192    H    PHE  26           H        PHE  26  -6.922   5.742   2.268
  193    HA   PHE  26           HA       PHE  26  -8.073   8.416   2.718
  194   1HB   PHE  26          2HB       PHE  26  -6.232   8.003   0.825
  195   2HB   PHE  26          1HB       PHE  26  -7.651   7.478  -0.076
  196    HD1  PHE  26           1HD      PHE  26  -6.451  10.313   2.022
  197    HD2  PHE  26           2HD      PHE  26  -8.891   9.041  -1.225
  198    HE1  PHE  26           1HE      PHE  26  -6.988  12.658   1.511
  199    HE2  PHE  26           2HE      PHE  26  -9.431  11.385  -1.742
  200    HZ   PHE  26           HZ       PHE  26  -8.479  13.197  -0.374
  201    H    LEU  27           H        LEU  27  -8.507   5.748   0.388
  202    HA   LEU  27           HA       LEU  27 -11.197   5.276   1.339
  203   1HB   LEU  27          2HB       LEU  27 -10.696   7.008  -0.881
  204   2HB   LEU  27          1HB       LEU  27 -11.486   5.557  -1.469
  205   1HD1  LEU  27          1HD2      LEU  27 -12.435   8.664  -1.027
  206   2HD1  LEU  27          2HD2      LEU  27 -11.872   8.544   0.640
  207   3HD1  LEU  27          3HD2      LEU  27 -13.600   8.610   0.296
  208   1HD2  LEU  27          1HD1      LEU  27 -14.717   6.759  -0.811
  209   2HD2  LEU  27          2HD1      LEU  27 -13.910   5.204  -1.011
  210   3HD2  LEU  27          3HD1      LEU  27 -13.535   6.538  -2.101
  Start of MODEL    8
    1   1H    GLY   1          1H        GLY   1  -3.232 -21.414 -11.693
    2   1HA   GLY   1          2HA       GLY   1  -5.853 -20.236 -11.035
    3   2HA   GLY   1          1HA       GLY   1  -5.067 -21.326  -9.903
    4    H    TYR   2           H        TYR   2  -5.177 -18.131 -11.195
    5    HA   TYR   2           HA       TYR   2  -3.074 -17.309  -9.299
    6   1HB   TYR   2          2HB       TYR   2  -2.786 -17.011 -11.911
    7   2HB   TYR   2          1HB       TYR   2  -3.802 -15.599 -11.640
    8    HD1  TYR   2           1HD      TYR   2  -2.474 -13.709 -11.758
    9    HD2  TYR   2           2HD      TYR   2  -1.029 -17.101  -9.635
   10    HE1  TYR   2           1HE      TYR   2  -0.500 -12.423 -11.058
   11    HE2  TYR   2           2HE      TYR   2   0.949 -15.823  -8.927
   12    HH   TYR   2           HH       TYR   2   1.203 -12.718  -8.854
   13    H    ILE   3           H        ILE   3  -4.170 -16.607  -7.557
   14    HA   ILE   3           HA       ILE   3  -6.584 -15.058  -7.880
   15    HB   ILE   3           HB       ILE   3  -5.297 -15.871  -5.286
   16   1HG1  ILE   3          2HG1      ILE   3  -7.171 -17.372  -7.106
   17   2HG1  ILE   3          1HG1      ILE   3  -5.677 -17.935  -6.375
   18   1HG2  ILE   3          1HG2      ILE   3  -6.942 -14.068  -5.152
   19   2HG2  ILE   3          2HG2      ILE   3  -7.534 -15.534  -4.373
   20   3HG2  ILE   3          3HG2      ILE   3  -8.128 -15.085  -5.972
   21   1HD1  ILE   3          1HD1      ILE   3  -7.868 -17.207  -4.528
   22   2HD1  ILE   3          2HD1      ILE   3  -6.674 -18.499  -4.431
   23   3HD1  ILE   3          3HD1      ILE   3  -8.069 -18.666  -5.496
   24    HA   PRO   4           HA       PRO   4  -3.951 -11.393  -7.488
   25   1HB   PRO   4          2HB       PRO   4  -6.429  -9.921  -8.010
   26   2HB   PRO   4          1HB       PRO   4  -4.941  -9.971  -8.957
   27   1HG   PRO   4          2HG       PRO   4  -7.231 -11.117  -9.809
   28   2HG   PRO   4          1HG       PRO   4  -5.633 -11.779 -10.198
   29   1HD   PRO   4          2HD       PRO   4  -7.598 -12.669  -8.119
   30   2HD   PRO   4          1HD       PRO   4  -6.596 -13.644  -9.214
   31    H    GLU   5           H        GLU   5  -3.669  -9.902  -5.867
   32    HA   GLU   5           HA       GLU   5  -5.069 -10.338  -3.459
   33   1HB   GLU   5          2HB       GLU   5  -3.098  -8.155  -4.130
   34   2HB   GLU   5          1HB       GLU   5  -3.607  -8.622  -2.514
   35   1HG   GLU   5          2HG       GLU   5  -1.823  -9.938  -2.484
   36   2HG   GLU   5          1HG       GLU   5  -2.710 -10.987  -3.588
   37    H    ALA   6           H        ALA   6  -7.220  -9.837  -3.989
   38    HA   ALA   6           HA       ALA   6  -7.988  -7.248  -4.907
   39   1HB   ALA   6          1HB       ALA   6  -9.889  -8.294  -5.329
   40   2HB   ALA   6          2HB       ALA   6 -10.164  -8.553  -3.607
   41   3HB   ALA   6          3HB       ALA   6  -9.255  -9.740  -4.544
   42    HA   PRO   7           HA       PRO   7  -9.246  -6.959  -0.062
   43   1HB   PRO   7          2HB       PRO   7  -6.541  -7.941   0.747
   44   2HB   PRO   7          1HB       PRO   7  -8.085  -8.071   1.599
   45   1HG   PRO   7          2HG       PRO   7  -7.069 -10.166   0.312
   46   2HG   PRO   7          1HG       PRO   7  -8.812  -9.839   0.285
   47   1HD   PRO   7          2HD       PRO   7  -6.773  -9.443  -1.845
   48   2HD   PRO   7          1HD       PRO   7  -8.491  -9.865  -1.986
   49    H    ARG   8           H        ARG   8  -9.129  -4.775  -0.521
   50    HA   ARG   8           HA       ARG   8  -6.530  -3.520  -0.170
   51   1HB   ARG   8          2HB       ARG   8  -7.507  -3.450  -2.489
   52   2HB   ARG   8          1HB       ARG   8  -8.722  -2.372  -1.853
   53   1HG   ARG   8          2HG       ARG   8  -6.624  -1.044  -1.018
   54   2HG   ARG   8          1HG       ARG   8  -5.818  -1.926  -2.311
   55   1HD   ARG   8          2HD       ARG   8  -6.527   0.113  -3.259
   56   2HD   ARG   8          1HD       ARG   8  -7.656  -1.108  -3.838
   57    HE   ARG   8           HE       ARG   8  -8.210   1.019  -1.914
   58   1HH1  ARG   8          1HH1      ARG   8  -9.362  -1.772  -3.677
   59   2HH1  ARG   8          2HH1      ARG   8 -11.030  -1.396  -3.416
   60   1HH2  ARG   8          1HH2      ARG   8 -10.403   1.503  -1.573
   61   2HH2  ARG   8          2HH2      ARG   8 -11.622   0.459  -2.223
   62    H    ASP   9           H        ASP   9  -6.578  -1.488   0.759
   63    HA   ASP   9           HA       ASP   9  -8.982  -0.630   2.018
   64   1HB   ASP   9          2HB       ASP   9  -7.711  -2.317   3.465
   65   2HB   ASP   9          1HB       ASP   9  -6.583  -0.993   3.757
   66    H    GLY  10           H        GLY  10  -6.677   0.268   0.145
   67   1HA   GLY  10          2HA       GLY  10  -5.884   2.318  -0.494
   68   2HA   GLY  10          1HA       GLY  10  -6.875   3.034   0.758
   69    H    GLN  11           H        GLN  11  -5.029   0.644   1.972
   70    HA   GLN  11           HA       GLN  11  -3.160   2.517   3.211
   71   1HB   GLN  11          2HB       GLN  11  -3.728  -0.376   3.878
   72   2HB   GLN  11          1HB       GLN  11  -2.718   0.720   4.811
   73   1HG   GLN  11          2HG       GLN  11  -5.649   1.162   4.304
   74   2HG   GLN  11          1HG       GLN  11  -5.002   0.357   5.733
   75   1HE2  GLN  11          1HE2      GLN  11  -6.272   3.128   4.804
   76   2HE2  GLN  11          2HE2      GLN  11  -5.421   4.245   5.810
   77    H    ALA  12           H        ALA  12  -1.003   2.472   2.904
   78    HA   ALA  12           HA       ALA  12   0.105   0.278   1.276
   79   1HB   ALA  12          1HB       ALA  12   1.233   3.025   0.952
   80   2HB   ALA  12          2HB       ALA  12  -0.261   2.617   0.106
   81   3HB   ALA  12          3HB       ALA  12   1.201   1.677  -0.185
   82    H    TYR  13           H        TYR  13   1.802  -0.659   2.076
   83    HA   TYR  13           HA       TYR  13   2.910   0.291   4.580
   84   1HB   TYR  13          2HB       TYR  13   3.839  -2.175   3.176
   85   2HB   TYR  13          1HB       TYR  13   3.733  -1.877   4.890
   86    HD1  TYR  13           1HD      TYR  13   2.935  -4.386   3.618
   87    HD2  TYR  13           2HD      TYR  13   0.592  -0.912   4.390
   88    HE1  TYR  13           1HE      TYR  13   0.899  -5.760   3.685
   89    HE2  TYR  13           2HE      TYR  13  -1.425  -2.271   4.462
   90    HH   TYR  13           HH       TYR  13  -1.947  -4.771   4.973
   91    H    VAL  14           H        VAL  14   4.864   0.987   4.956
   92    HA   VAL  14           HA       VAL  14   6.862   0.945   2.812
   93    HB   VAL  14           HB       VAL  14   7.353   2.883   4.906
   94   1HG1  VAL  14          1HG1      VAL  14   7.268   3.850   2.152
   95   2HG1  VAL  14          2HG1      VAL  14   8.236   2.391   2.365
   96   3HG1  VAL  14          3HG1      VAL  14   8.596   3.835   3.313
   97   1HG2  VAL  14          1HG2      VAL  14   4.846   3.178   3.307
   98   2HG2  VAL  14          2HG2      VAL  14   5.821   4.613   3.607
   99   3HG2  VAL  14          3HG2      VAL  14   5.191   3.683   4.963
  100    H    ARG  15           H        ARG  15   9.027   0.769   3.741
  101    HA   ARG  15           HA       ARG  15   8.871  -0.835   6.151
  102   1HB   ARG  15          2HB       ARG  15  10.240  -1.193   3.753
  103   2HB   ARG  15          1HB       ARG  15  11.464  -0.855   4.964
  104   1HG   ARG  15          2HG       ARG  15  10.226  -2.558   6.400
  105   2HG   ARG  15          1HG       ARG  15   9.446  -3.042   4.893
  106   1HD   ARG  15          2HD       ARG  15  11.754  -3.332   3.920
  107   2HD   ARG  15          1HD       ARG  15  12.387  -3.115   5.551
  108    HE   ARG  15           HE       ARG  15  10.787  -5.093   6.049
  109   1HH1  ARG  15          1HH1      ARG  15  12.697  -4.674   3.149
  110   2HH1  ARG  15          2HH1      ARG  15  12.815  -6.372   2.839
  111   1HH2  ARG  15          1HH2      ARG  15  10.952  -7.322   5.636
  112   2HH2  ARG  15          2HH2      ARG  15  11.830  -7.873   4.249
  113    H    LYS  16           H        LYS  16   8.872   0.520   7.725
  114    HA   LYS  16           HA       LYS  16  11.076   2.446   7.941
  115   1HB   LYS  16          2HB       LYS  16   8.596   2.588   9.596
  116   2HB   LYS  16          1HB       LYS  16   9.754   3.861   9.279
  117   1HG   LYS  16          2HG       LYS  16   7.830   2.686   7.305
  118   2HG   LYS  16          1HG       LYS  16   7.743   4.278   8.054
  119   1HD   LYS  16          2HD       LYS  16  10.105   3.413   6.416
  120   2HD   LYS  16          1HD       LYS  16   8.676   4.139   5.679
  121   1HE   LYS  16          2HE       LYS  16   8.983   6.046   7.329
  122   2HE   LYS  16          1HE       LYS  16  10.570   5.357   7.670
  123   1HZ   LYS  16          1HZ       LYS  16   9.667   6.123   4.950
  124   2HZ   LYS  16          2HZ       LYS  16  11.230   5.689   5.427
  125   3HZ   LYS  16          3HZ       LYS  16  10.558   7.145   5.962
  126    H    ASP  17           H        ASP  17  12.392   2.458   9.570
  127    HA   ASP  17           HA       ASP  17  13.648   1.654  11.304
  128   1HB   ASP  17          2HB       ASP  17  11.756   2.568  12.566
  129   2HB   ASP  17          1HB       ASP  17  10.909   1.037  12.416
  130    H    GLY  18           H        GLY  18  12.953  -0.090   9.095
  131   1HA   GLY  18          2HA       GLY  18  13.561  -2.252   8.550
  132   2HA   GLY  18          1HA       GLY  18  13.830  -2.576  10.255
  133    H    GLU  19           H        GLU  19  10.778  -1.265   9.958
  134    HA   GLU  19           HA       GLU  19   9.564  -3.871   9.696
  135   1HB   GLU  19          2HB       GLU  19   8.710  -1.640  11.532
  136   2HB   GLU  19          1HB       GLU  19   7.920  -3.207  11.372
  137   1HG   GLU  19          2HG       GLU  19  10.184  -4.185  11.976
  138   2HG   GLU  19          1HG       GLU  19  10.590  -2.563  12.527
  139    H    TRP  20           H        TRP  20   7.358  -3.829   9.041
  140    HA   TRP  20           HA       TRP  20   6.966  -1.957   6.899
  141   1HB   TRP  20          2HB       TRP  20   5.477  -4.438   7.825
  142   2HB   TRP  20          1HB       TRP  20   4.890  -3.435   6.505
  143    HD1  TRP  20           HD       TRP  20   6.917  -6.415   7.058
  144    HE1  TRP  20           1HE      TRP  20   8.356  -6.938   4.984
  145    HE3  TRP  20           3HE      TRP  20   6.397  -1.979   4.626
  146    HZ2  TRP  20           2HZ      TRP  20   9.164  -5.614   2.611
  147    HZ3  TRP  20           3HZ      TRP  20   7.525  -1.685   2.481
  148    HH2  TRP  20           HH       TRP  20   8.881  -3.450   1.479
  149    H    VAL  21           H        VAL  21   5.653  -0.213   7.010
  150    HA   VAL  21           HA       VAL  21   3.478  -0.163   8.954
  151    HB   VAL  21           HB       VAL  21   4.515   2.492   8.745
  152   1HG1  VAL  21          1HG1      VAL  21   4.679   1.099  11.323
  153   2HG1  VAL  21          2HG1      VAL  21   3.106   1.040  10.529
  154   3HG1  VAL  21          3HG1      VAL  21   3.855   2.596  10.884
  155   1HG2  VAL  21          1HG2      VAL  21   6.734   1.798   8.519
  156   2HG2  VAL  21          2HG2      VAL  21   6.504   0.397   9.566
  157   3HG2  VAL  21          3HG2      VAL  21   6.552   2.017  10.257
  158    H    LEU  22           H        LEU  22   1.652   0.794   8.165
  159    HA   LEU  22           HA       LEU  22   1.779   1.558   5.405
  160   1HB   LEU  22          2HB       LEU  22  -0.899   1.641   6.264
  161   2HB   LEU  22          1HB       LEU  22  -0.115   0.535   5.159
  162    HG   LEU  22           HG       LEU  22  -1.210  -0.749   6.828
  163   1HD1  LEU  22          1HD1      LEU  22   0.486  -2.171   6.852
  164   2HD1  LEU  22          2HD1      LEU  22   1.360  -1.176   8.018
  165   3HD1  LEU  22          3HD1      LEU  22   1.526  -0.860   6.288
  166   1HD2  LEU  22          1HD2      LEU  22  -1.572   0.194   8.808
  167   2HD2  LEU  22          2HD2      LEU  22  -0.307   1.394   8.524
  168   3HD2  LEU  22          3HD2      LEU  22   0.105  -0.179   9.216
  169    H    LEU  23           H        LEU  23   1.099   3.211   4.497
  170    HA   LEU  23           HA       LEU  23   1.472   5.716   5.763
  171   1HB   LEU  23          2HB       LEU  23   0.391   4.883   3.080
  172   2HB   LEU  23          1HB       LEU  23   0.457   6.571   3.547
  173    HG   LEU  23           HG       LEU  23   3.011   5.258   3.966
  174   1HD1  LEU  23          1HD1      LEU  23   2.752   3.858   2.173
  175   2HD1  LEU  23          2HD1      LEU  23   3.380   5.297   1.371
  176   3HD1  LEU  23          3HD1      LEU  23   1.651   4.952   1.337
  177   1HD2  LEU  23          1HD2      LEU  23   3.238   7.513   3.909
  178   2HD2  LEU  23          2HD2      LEU  23   1.911   7.729   2.768
  179   3HD2  LEU  23          3HD2      LEU  23   3.490   7.195   2.193
  180    H    SER  24           H        SER  24  -0.659   7.271   4.613
  181    HA   SER  24           HA       SER  24  -2.609   8.197   5.304
  182   1HB   SER  24          2HB       SER  24  -3.166   6.072   3.916
  183   2HB   SER  24          1HB       SER  24  -3.741   5.431   5.455
  184    HG   SER  24           HG       SER  24  -4.909   7.230   3.804
  185    H    THR  25           H        THR  25  -2.568   9.078   7.273
  186    HA   THR  25           HA       THR  25  -2.325   7.504   9.661
  187    HB   THR  25           HB       THR  25  -3.023  10.429   9.464
  188    HG1  THR  25           1HG      THR  25  -1.137  10.058   8.284
  189   1HG2  THR  25          1HG2      THR  25  -3.204   9.426  11.704
  190   2HG2  THR  25          2HG2      THR  25  -1.940  10.651  11.591
  191   3HG2  THR  25          3HG2      THR  25  -1.512   8.940  11.592
  192    H    PHE  26           H        PHE  26  -3.833   7.430  11.377
  193    HA   PHE  26           HA       PHE  26  -6.592   7.294  10.452
  194   1HB   PHE  26          2HB       PHE  26  -5.180   5.566  11.950
  195   2HB   PHE  26          1HB       PHE  26  -5.881   6.542  13.236
  196    HD1  PHE  26           1HD      PHE  26  -7.981   6.018  14.035
  197    HD2  PHE  26           2HD      PHE  26  -6.848   4.699  10.149
  198    HE1  PHE  26           1HE      PHE  26 -10.072   4.730  13.866
  199    HE2  PHE  26           2HE      PHE  26  -8.938   3.412   9.972
  200    HZ   PHE  26           HZ       PHE  26 -10.552   3.428  11.832
  201    H    LEU  27           H        LEU  27  -8.132   7.741  12.532
  202    HA   LEU  27           HA       LEU  27  -7.959  10.592  12.916
  203   1HB   LEU  27          2HB       LEU  27 -10.123   9.805  12.445
  204   2HB   LEU  27          1HB       LEU  27  -9.985   8.478  13.579
  205   1HD1  LEU  27          1HD2      LEU  27  -9.913   8.725  15.750
  206   2HD1  LEU  27          2HD2      LEU  27 -11.412   9.525  16.226
  207   3HD1  LEU  27          3HD2      LEU  27  -9.862  10.311  16.522
  208   1HD2  LEU  27          1HD1      LEU  27 -10.146  12.186  15.514
  209   2HD2  LEU  27          2HD1      LEU  27 -10.493  12.376  13.795
  210   3HD2  LEU  27          3HD1      LEU  27  -8.915  11.788  14.315
  Start of MODEL    9
    1   1H    GLY   1          1H        GLY   1 -13.424 -24.973   1.397
    2   1HA   GLY   1          2HA       GLY   1 -15.897 -24.785  -0.188
    3   2HA   GLY   1          1HA       GLY   1 -15.817 -24.934   1.561
    4    H    TYR   2           H        TYR   2 -15.075 -23.079   2.786
    5    HA   TYR   2           HA       TYR   2 -16.223 -20.653   1.807
    6   1HB   TYR   2          2HB       TYR   2 -15.060 -21.612   4.346
    7   2HB   TYR   2          1HB       TYR   2 -14.905 -19.882   4.056
    8    HD1  TYR   2           1HD      TYR   2 -16.767 -18.436   4.278
    9    HD2  TYR   2           2HD      TYR   2 -17.341 -22.651   4.367
   10    HE1  TYR   2           1HE      TYR   2 -19.082 -18.098   5.033
   11    HE2  TYR   2           2HE      TYR   2 -19.659 -22.324   5.120
   12    HH   TYR   2           HH       TYR   2 -20.823 -19.928   6.502
   13    H    ILE   3           H        ILE   3 -15.230 -19.411   0.367
   14    HA   ILE   3           HA       ILE   3 -12.351 -19.334   0.223
   15    HB   ILE   3           HB       ILE   3 -14.302 -17.890  -1.556
   16   1HG1  ILE   3          2HG1      ILE   3 -13.253 -20.708  -1.647
   17   2HG1  ILE   3          1HG1      ILE   3 -14.907 -20.144  -1.840
   18   1HG2  ILE   3          1HG2      ILE   3 -12.492 -17.691  -3.089
   19   2HG2  ILE   3          2HG2      ILE   3 -11.471 -18.750  -2.116
   20   3HG2  ILE   3          3HG2      ILE   3 -11.909 -17.150  -1.515
   21   1HD1  ILE   3          1HD1      ILE   3 -13.590 -18.956  -3.942
   22   2HD1  ILE   3          2HD1      ILE   3 -14.584 -20.409  -4.018
   23   3HD1  ILE   3          3HD1      ILE   3 -12.837 -20.546  -3.825
   24    HA   PRO   4           HA       PRO   4 -12.635 -15.580   2.764
   25   1HB   PRO   4          2HB       PRO   4  -9.978 -15.405   3.288
   26   2HB   PRO   4          1HB       PRO   4 -11.056 -16.499   4.161
   27   1HG   PRO   4          2HG       PRO   4  -9.205 -17.086   1.881
   28   2HG   PRO   4          1HG       PRO   4  -9.484 -18.019   3.363
   29   1HD   PRO   4          2HD       PRO   4 -10.617 -18.682   0.997
   30   2HD   PRO   4          1HD       PRO   4 -11.424 -18.966   2.553
   31    H    GLU   5           H        GLU   5 -12.957 -13.764   1.640
   32    HA   GLU   5           HA       GLU   5 -11.542 -13.117  -0.712
   33   1HB   GLU   5          2HB       GLU   5 -13.501 -11.560   0.962
   34   2HB   GLU   5          1HB       GLU   5 -12.817 -10.947  -0.538
   35   1HG   GLU   5          2HG       GLU   5 -13.931 -12.517  -1.836
   36   2HG   GLU   5          1HG       GLU   5 -14.232 -13.581  -0.462
   37    H    ALA   6           H        ALA   6 -10.037 -11.501  -1.088
   38    HA   ALA   6           HA       ALA   6  -8.218 -10.963   1.024
   39   1HB   ALA   6          1HB       ALA   6  -7.978 -11.038  -1.653
   40   2HB   ALA   6          2HB       ALA   6  -6.812 -10.250  -0.591
   41   3HB   ALA   6          3HB       ALA   6  -8.053  -9.294  -1.402
   42    HA   PRO   7           HA       PRO   7 -10.406  -7.288   2.405
   43   1HB   PRO   7          2HB       PRO   7  -9.095  -6.941   4.708
   44   2HB   PRO   7          1HB       PRO   7 -10.234  -8.277   4.493
   45   1HG   PRO   7          2HG       PRO   7  -7.245  -8.297   4.372
   46   2HG   PRO   7          1HG       PRO   7  -8.344  -9.473   5.116
   47   1HD   PRO   7          2HD       PRO   7  -7.179  -9.774   2.631
   48   2HD   PRO   7          1HD       PRO   7  -8.675 -10.579   3.144
   49    H    ARG   8           H        ARG   8 -10.042  -5.179   2.000
   50    HA   ARG   8           HA       ARG   8  -7.297  -4.258   1.741
   51   1HB   ARG   8          2HB       ARG   8  -8.568  -4.446  -0.391
   52   2HB   ARG   8          1HB       ARG   8  -9.649  -3.210   0.202
   53   1HG   ARG   8          2HG       ARG   8  -7.937  -2.347  -1.340
   54   2HG   ARG   8          1HG       ARG   8  -7.869  -1.610   0.258
   55   1HD   ARG   8          2HD       ARG   8  -5.635  -2.080  -0.458
   56   2HD   ARG   8          1HD       ARG   8  -6.041  -3.189   0.844
   57    HE   ARG   8           HE       ARG   8  -6.448  -4.875  -0.930
   58   1HH1  ARG   8          1HH1      ARG   8  -4.365  -2.143  -1.605
   59   2HH1  ARG   8          2HH1      ARG   8  -3.490  -2.968  -2.847
   60   1HH2  ARG   8          1HH2      ARG   8  -5.288  -5.947  -2.564
   61   2HH2  ARG   8          2HH2      ARG   8  -4.009  -5.121  -3.391
   62    H    ASP   9           H        ASP   9  -6.969  -2.074   2.189
   63    HA   ASP   9           HA       ASP   9  -8.985  -0.706   3.652
   64   1HB   ASP   9          2HB       ASP   9  -7.693  -2.287   5.166
   65   2HB   ASP   9          1HB       ASP   9  -6.361  -1.143   5.008
   66    H    GLY  10           H        GLY  10  -7.047  -0.384   1.262
   67   1HA   GLY  10          2HA       GLY  10  -6.070   1.388   0.200
   68   2HA   GLY  10          1HA       GLY  10  -6.887   2.416   1.357
   69    H    GLN  11           H        GLN  11  -5.008   0.131   2.795
   70    HA   GLN  11           HA       GLN  11  -3.110   2.070   3.764
   71   1HB   GLN  11          2HB       GLN  11  -3.585  -0.848   4.336
   72   2HB   GLN  11          1HB       GLN  11  -2.236   0.034   5.034
   73   1HG   GLN  11          2HG       GLN  11  -4.471   1.626   5.519
   74   2HG   GLN  11          1HG       GLN  11  -5.001  -0.026   5.827
   75   1HE2  GLN  11          1HE2      GLN  11  -3.205   2.624   6.963
   76   2HE2  GLN  11          2HE2      GLN  11  -2.590   1.896   8.404
   77    H    ALA  12           H        ALA  12  -1.017   2.309   3.219
   78    HA   ALA  12           HA       ALA  12   0.127   0.349   1.328
   79   1HB   ALA  12          1HB       ALA  12  -0.478   2.690   0.366
   80   2HB   ALA  12          2HB       ALA  12   1.103   2.001   0.000
   81   3HB   ALA  12          3HB       ALA  12   0.951   3.239   1.245
   82    H    TYR  13           H        TYR  13   1.642  -0.725   2.217
   83    HA   TYR  13           HA       TYR  13   2.935   0.106   4.612
   84   1HB   TYR  13          2HB       TYR  13   3.894  -2.214   3.011
   85   2HB   TYR  13          1HB       TYR  13   3.735  -2.076   4.755
   86    HD1  TYR  13           1HD      TYR  13   1.188  -1.797   5.528
   87    HD2  TYR  13           2HD      TYR  13   2.446  -3.589   1.899
   88    HE1  TYR  13           1HE      TYR  13  -0.983  -2.968   5.372
   89    HE2  TYR  13           2HE      TYR  13   0.303  -4.786   1.731
   90    HH   TYR  13           HH       TYR  13  -1.882  -5.016   4.296
   91    H    VAL  14           H        VAL  14   4.880   0.848   4.959
   92    HA   VAL  14           HA       VAL  14   6.823   0.923   2.771
   93    HB   VAL  14           HB       VAL  14   7.321   2.844   4.863
   94   1HG1  VAL  14          1HG1      VAL  14   8.707   3.228   3.134
   95   2HG1  VAL  14          2HG1      VAL  14   7.397   4.269   2.576
   96   3HG1  VAL  14          3HG1      VAL  14   7.553   2.633   1.940
   97   1HG2  VAL  14          1HG2      VAL  14   4.738   3.082   3.384
   98   2HG2  VAL  14          2HG2      VAL  14   5.678   4.546   3.664
   99   3HG2  VAL  14          3HG2      VAL  14   5.141   3.574   5.032
  100    H    ARG  15           H        ARG  15   8.996   0.743   3.639
  101    HA   ARG  15           HA       ARG  15   8.912  -0.846   6.065
  102   1HB   ARG  15          2HB       ARG  15  10.210  -1.209   3.620
  103   2HB   ARG  15          1HB       ARG  15  11.460  -0.913   4.811
  104   1HG   ARG  15          2HG       ARG  15  10.136  -2.598   6.241
  105   2HG   ARG  15          1HG       ARG  15   9.433  -3.079   4.695
  106   1HD   ARG  15          2HD       ARG  15  11.547  -3.710   3.822
  107   2HD   ARG  15          1HD       ARG  15  12.407  -2.919   5.142
  108    HE   ARG  15           HE       ARG  15  10.936  -4.792   6.413
  109   1HH1  ARG  15          1HH1      ARG  15  13.118  -4.935   3.692
  110   2HH1  ARG  15          2HH1      ARG  15  13.624  -6.557   4.022
  111   1HH2  ARG  15          1HH2      ARG  15  11.599  -6.927   6.849
  112   2HH2  ARG  15          2HH2      ARG  15  12.760  -7.690   5.814
  113    H    LYS  16           H        LYS  16   8.973   0.517   7.626
  114    HA   LYS  16           HA       LYS  16  11.234   2.378   7.780
  115   1HB   LYS  16          2HB       LYS  16   8.791   2.589   9.481
  116   2HB   LYS  16          1HB       LYS  16   9.995   3.821   9.177
  117   1HG   LYS  16          2HG       LYS  16   8.053   2.739   7.172
  118   2HG   LYS  16          1HG       LYS  16   7.968   4.307   7.970
  119   1HD   LYS  16          2HD       LYS  16  10.544   4.016   6.796
  120   2HD   LYS  16          1HD       LYS  16   9.330   3.598   5.587
  121   1HE   LYS  16          2HE       LYS  16   8.648   5.721   5.381
  122   2HE   LYS  16          1HE       LYS  16   8.649   5.981   7.125
  123   1HZ   LYS  16          1HZ       LYS  16  11.306   5.787   6.228
  124   2HZ   LYS  16          2HZ       LYS  16  10.527   7.112   6.932
  125   3HZ   LYS  16          3HZ       LYS  16  10.494   6.906   5.253
  126    H    ASP  17           H        ASP  17  12.599   2.323   9.372
  127    HA   ASP  17           HA       ASP  17  13.868   1.456  11.071
  128   1HB   ASP  17          2HB       ASP  17  12.069   2.462  12.391
  129   2HB   ASP  17          1HB       ASP  17  11.134   0.983  12.260
  130    H    GLY  18           H        GLY  18  12.948  -0.270   8.889
  131   1HA   GLY  18          2HA       GLY  18  13.501  -2.455   8.353
  132   2HA   GLY  18          1HA       GLY  18  13.735  -2.792  10.060
  133    H    GLU  19           H        GLU  19  10.771  -1.349   9.878
  134    HA   GLU  19           HA       GLU  19   9.425  -3.880   9.532
  135   1HB   GLU  19          2HB       GLU  19   8.711  -1.644  11.419
  136   2HB   GLU  19          1HB       GLU  19   7.808  -3.144  11.218
  137   1HG   GLU  19          2HG       GLU  19  10.007  -4.296  11.791
  138   2HG   GLU  19          1HG       GLU  19  10.511  -2.721  12.399
  139    H    TRP  20           H        TRP  20   7.198  -3.705   8.911
  140    HA   TRP  20           HA       TRP  20   6.892  -1.817   6.775
  141   1HB   TRP  20          2HB       TRP  20   5.195  -4.140   7.753
  142   2HB   TRP  20          1HB       TRP  20   4.707  -3.112   6.409
  143    HD1  TRP  20           HD       TRP  20   6.410  -6.282   7.029
  144    HE1  TRP  20           1HE      TRP  20   7.780  -7.005   4.968
  145    HE3  TRP  20           3HE      TRP  20   6.394  -1.877   4.507
  146    HZ2  TRP  20           2HZ      TRP  20   8.728  -5.827   2.566
  147    HZ3  TRP  20           3HZ      TRP  20   7.530  -1.737   2.358
  148    HH2  TRP  20           HH       TRP  20   8.686  -3.666   1.389
  149    H    VAL  21           H        VAL  21   5.557  -0.057   6.811
  150    HA   VAL  21           HA       VAL  21   3.564   0.151   8.932
  151    HB   VAL  21           HB       VAL  21   4.369   2.791   8.327
  152   1HG1  VAL  21          1HG1      VAL  21   4.288   3.083  10.607
  153   2HG1  VAL  21          2HG1      VAL  21   4.942   1.479  10.943
  154   3HG1  VAL  21          3HG1      VAL  21   3.277   1.655  10.388
  155   1HG2  VAL  21          1HG2      VAL  21   6.580   2.157   7.780
  156   2HG2  VAL  21          2HG2      VAL  21   6.664   1.009   9.117
  157   3HG2  VAL  21          3HG2      VAL  21   6.644   2.741   9.439
  158    H    LEU  22           H        LEU  22   1.649   0.755   8.194
  159    HA   LEU  22           HA       LEU  22   1.450   1.208   5.363
  160   1HB   LEU  22          2HB       LEU  22  -1.132   1.115   6.354
  161   2HB   LEU  22          1HB       LEU  22  -0.254  -0.138   5.502
  162    HG   LEU  22           HG       LEU  22  -1.182  -1.102   7.473
  163   1HD1  LEU  22          1HD1      LEU  22   1.381  -0.993   8.698
  164   2HD1  LEU  22          2HD1      LEU  22   1.594  -0.952   6.943
  165   3HD1  LEU  22          3HD1      LEU  22   0.692  -2.273   7.701
  166   1HD2  LEU  22          1HD2      LEU  22  -0.468   1.479   8.579
  167   2HD2  LEU  22          2HD2      LEU  22   0.043   0.149   9.625
  168   3HD2  LEU  22          3HD2      LEU  22  -1.650   0.298   9.149
  169    H    LEU  23           H        LEU  23   1.030   2.905   4.470
  170    HA   LEU  23           HA       LEU  23   0.929   5.412   5.801
  171   1HB   LEU  23          2HB       LEU  23   0.460   4.662   2.918
  172   2HB   LEU  23          1HB       LEU  23   0.513   6.319   3.491
  173    HG   LEU  23           HG       LEU  23   2.784   4.335   3.598
  174   1HD1  LEU  23          1HD1      LEU  23   2.019   6.509   1.731
  175   2HD1  LEU  23          2HD1      LEU  23   2.820   4.970   1.413
  176   3HD1  LEU  23          3HD1      LEU  23   3.730   6.310   2.111
  177   1HD2  LEU  23          1HD2      LEU  23   3.885   6.753   4.097
  178   2HD2  LEU  23          2HD2      LEU  23   3.413   5.603   5.347
  179   3HD2  LEU  23          3HD2      LEU  23   2.331   6.925   4.912
  180    H    SER  24           H        SER  24  -0.835   7.045   4.719
  181    HA   SER  24           HA       SER  24  -3.306   6.285   5.943
  182   1HB   SER  24          2HB       SER  24  -2.718   8.723   4.249
  183   2HB   SER  24          1HB       SER  24  -4.056   8.521   5.381
  184    HG   SER  24           HG       SER  24  -2.561   8.462   7.069
  185    H    THR  25           H        THR  25  -5.291   7.299   4.418
  186    HA   THR  25           HA       THR  25  -5.535   5.281   2.356
  187    HB   THR  25           HB       THR  25  -7.656   7.322   2.890
  188    HG1  THR  25           1HG      THR  25  -7.312   6.814   4.945
  189   1HG2  THR  25          1HG2      THR  25  -8.573   4.644   2.953
  190   2HG2  THR  25          2HG2      THR  25  -7.532   4.841   1.543
  191   3HG2  THR  25          3HG2      THR  25  -8.920   5.905   1.770
  192    H    PHE  26           H        PHE  26  -6.486   8.727   2.324
  193    HA   PHE  26           HA       PHE  26  -5.931   8.820  -0.521
  194   1HB   PHE  26          2HB       PHE  26  -7.880   9.971   0.963
  195   2HB   PHE  26          1HB       PHE  26  -6.736  11.303   0.875
  196    HD1  PHE  26           1HD      PHE  26  -9.522   9.966  -0.623
  197    HD2  PHE  26           2HD      PHE  26  -5.707  11.568  -1.619
  198    HE1  PHE  26           1HE      PHE  26 -10.350  10.529  -2.870
  199    HE2  PHE  26           2HE      PHE  26  -6.529  12.135  -3.869
  200    HZ   PHE  26           HZ       PHE  26  -8.852  11.616  -4.496
  201    H    LEU  27           H        LEU  27  -5.256  11.387   1.845
  202    HA   LEU  27           HA       LEU  27  -2.577  11.619   0.665
  203   1HB   LEU  27          2HB       LEU  27  -2.614  13.931   1.189
  204   2HB   LEU  27          1HB       LEU  27  -4.149  13.548   0.433
  205   1HD1  LEU  27          1HD2      LEU  27  -4.407  16.172   2.568
  206   2HD1  LEU  27          2HD2      LEU  27  -2.781  15.538   2.320
  207   3HD1  LEU  27          3HD2      LEU  27  -3.529  15.447   3.914
  208   1HD2  LEU  27          1HD1      LEU  27  -6.238  13.168   2.268
  209   2HD2  LEU  27          2HD1      LEU  27  -5.918  14.535   1.200
  210   3HD2  LEU  27          3HD1      LEU  27  -6.247  14.810   2.912
  Start of MODEL   10
    1   1H    GLY   1          1H        GLY   1  -9.359   1.164  24.098
    2   1HA   GLY   1          2HA       GLY   1  -7.703   2.843  25.344
    3   2HA   GLY   1          1HA       GLY   1  -6.562   1.926  24.372
    4    H    TYR   2           H        TYR   2  -6.246   2.500  22.301
    5    HA   TYR   2           HA       TYR   2  -7.394   4.927  21.353
    6   1HB   TYR   2          2HB       TYR   2  -5.996   4.636  19.413
    7   2HB   TYR   2          1HB       TYR   2  -5.070   4.162  20.833
    8    HD1  TYR   2           1HD      TYR   2  -4.695   1.736  21.298
    9    HD2  TYR   2           2HD      TYR   2  -6.458   3.090  17.670
   10    HE1  TYR   2           1HE      TYR   2  -4.210  -0.439  20.258
   11    HE2  TYR   2           2HE      TYR   2  -5.978   0.918  16.620
   12    HH   TYR   2           HH       TYR   2  -5.619  -1.539  17.551
   13    H    ILE   3           H        ILE   3  -8.843   5.274  19.685
   14    HA   ILE   3           HA       ILE   3 -10.705   3.141  19.221
   15    HB   ILE   3           HB       ILE   3 -10.799   5.959  18.154
   16   1HG1  ILE   3          2HG1      ILE   3 -11.715   4.756  20.754
   17   2HG1  ILE   3          1HG1      ILE   3 -10.820   6.245  20.484
   18   1HG2  ILE   3          1HG2      ILE   3 -13.099   5.561  17.700
   19   2HG2  ILE   3          2HG2      ILE   3 -13.063   4.010  18.539
   20   3HG2  ILE   3          3HG2      ILE   3 -12.195   4.210  17.015
   21   1HD1  ILE   3          1HD1      ILE   3 -13.731   5.730  20.353
   22   2HD1  ILE   3          2HD1      ILE   3 -13.057   6.934  19.256
   23   3HD1  ILE   3          3HD1      ILE   3 -12.846   7.115  20.997
   24    HA   PRO   4           HA       PRO   4  -8.696   1.909  15.413
   25   1HB   PRO   4          2HB       PRO   4 -10.785   0.382  14.472
   26   2HB   PRO   4          1HB       PRO   4  -9.573  -0.187  15.623
   27   1HG   PRO   4          2HG       PRO   4 -12.337   0.837  16.131
   28   2HG   PRO   4          1HG       PRO   4 -11.490  -0.528  16.884
   29   1HD   PRO   4          2HD       PRO   4 -11.738   1.833  18.135
   30   2HD   PRO   4          1HD       PRO   4 -10.270   0.846  18.297
   31    H    GLU   5           H        GLU   5  -8.671   2.727  13.391
   32    HA   GLU   5           HA       GLU   5 -10.446   4.813  12.722
   33   1HB   GLU   5          2HB       GLU   5  -9.152   4.910  10.603
   34   2HB   GLU   5          1HB       GLU   5  -8.148   4.974  12.044
   35   1HG   GLU   5          2HG       GLU   5  -8.603   2.286  10.955
   36   2HG   GLU   5          1HG       GLU   5  -7.679   3.375   9.923
   37    H    ALA   6           H        ALA   6 -11.736   4.977  10.833
   38    HA   ALA   6           HA       ALA   6 -13.493   2.804  10.471
   39   1HB   ALA   6          1HB       ALA   6 -14.733   4.517   9.776
   40   2HB   ALA   6          2HB       ALA   6 -13.815   4.513   8.270
   41   3HB   ALA   6          3HB       ALA   6 -13.308   5.540   9.609
   42    HA   PRO   7           HA       PRO   7 -11.881   0.045   7.444
   43   1HB   PRO   7          2HB       PRO   7 -14.177   0.960   5.748
   44   2HB   PRO   7          1HB       PRO   7 -13.595  -0.681   6.057
   45   1HG   PRO   7          2HG       PRO   7 -15.734   0.270   7.334
   46   2HG   PRO   7          1HG       PRO   7 -14.564  -0.777   8.158
   47   1HD   PRO   7          2HD       PRO   7 -15.041   2.128   8.466
   48   2HD   PRO   7          1HD       PRO   7 -14.367   0.965   9.623
   49    H    ARG   8           H        ARG   8 -10.191   0.396   6.144
   50    HA   ARG   8           HA       ARG   8 -10.282   2.583   4.243
   51   1HB   ARG   8          2HB       ARG   8  -8.850   2.960   6.279
   52   2HB   ARG   8          1HB       ARG   8  -7.789   1.723   5.663
   53   1HG   ARG   8          2HG       ARG   8  -6.751   3.542   4.797
   54   2HG   ARG   8          1HG       ARG   8  -7.917   3.270   3.505
   55   1HD   ARG   8          2HD       ARG   8  -9.305   4.824   5.318
   56   2HD   ARG   8          1HD       ARG   8  -7.675   5.493   5.359
   57    HE   ARG   8           HE       ARG   8  -8.192   5.280   2.712
   58   1HH1  ARG   8          1HH1      ARG   8  -9.917   6.737   5.373
   59   2HH1  ARG   8          2HH1      ARG   8 -10.646   7.964   4.393
   60   1HH2  ARG   8          1HH2      ARG   8  -9.149   6.892   1.421
   61   2HH2  ARG   8          2HH2      ARG   8 -10.211   8.052   2.148
   62    H    ASP   9           H        ASP   9  -8.924   2.228   2.425
   63    HA   ASP   9           HA       ASP   9  -8.037  -0.453   2.033
   64   1HB   ASP   9          2HB       ASP   9 -10.417  -0.145   1.254
   65   2HB   ASP   9          1HB       ASP   9  -9.746   0.849  -0.041
   66    H    GLY  10           H        GLY  10  -7.369   2.693   1.777
   67   1HA   GLY  10          2HA       GLY  10  -5.618   2.433  -0.482
   68   2HA   GLY  10          1HA       GLY  10  -6.098   3.926   0.253
   69    H    GLN  11           H        GLN  11  -5.175   1.407   2.283
   70    HA   GLN  11           HA       GLN  11  -2.961   2.923   3.311
   71   1HB   GLN  11          2HB       GLN  11  -3.892   0.144   4.062
   72   2HB   GLN  11          1HB       GLN  11  -2.756   1.133   4.969
   73   1HG   GLN  11          2HG       GLN  11  -4.459   2.718   5.508
   74   2HG   GLN  11          1HG       GLN  11  -5.605   1.928   4.425
   75   1HE2  GLN  11          1HE2      GLN  11  -4.679   2.257   7.567
   76   2HE2  GLN  11          2HE2      GLN  11  -5.378   0.820   8.225
   77    H    ALA  12           H        ALA  12  -0.848   2.649   2.953
   78    HA   ALA  12           HA       ALA  12   0.022   0.248   1.479
   79   1HB   ALA  12          1HB       ALA  12   1.303   2.908   0.939
   80   2HB   ALA  12          2HB       ALA  12  -0.162   2.430   0.077
   81   3HB   ALA  12          3HB       ALA  12   1.298   1.449  -0.050
   82    H    TYR  13           H        TYR  13   1.755  -0.724   2.227
   83    HA   TYR  13           HA       TYR  13   2.922   0.266   4.689
   84   1HB   TYR  13          2HB       TYR  13   3.724  -2.289   3.377
   85   2HB   TYR  13          1HB       TYR  13   3.653  -1.917   5.078
   86    HD1  TYR  13           1HD      TYR  13   2.718  -4.441   3.949
   87    HD2  TYR  13           2HD      TYR  13   0.548  -0.819   4.540
   88    HE1  TYR  13           1HE      TYR  13   0.616  -5.707   4.084
   89    HE2  TYR  13           2HE      TYR  13  -1.537  -2.072   4.675
   90    HH   TYR  13           HH       TYR  13  -2.437  -4.235   3.942
   91    H    VAL  14           H        VAL  14   4.882   0.914   5.016
   92    HA   VAL  14           HA       VAL  14   6.865   0.718   2.867
   93    HB   VAL  14           HB       VAL  14   7.416   2.728   4.883
   94   1HG1  VAL  14          1HG1      VAL  14   7.793   4.039   2.630
   95   2HG1  VAL  14          2HG1      VAL  14   7.668   2.421   1.937
   96   3HG1  VAL  14          3HG1      VAL  14   8.900   2.768   3.151
   97   1HG2  VAL  14          1HG2      VAL  14   5.291   3.610   4.892
   98   2HG2  VAL  14          2HG2      VAL  14   4.919   3.010   3.272
   99   3HG2  VAL  14          3HG2      VAL  14   5.937   4.433   3.474
  100    H    ARG  15           H        ARG  15   9.032   0.535   3.804
  101    HA   ARG  15           HA       ARG  15   8.831  -0.990   6.260
  102   1HB   ARG  15          2HB       ARG  15  10.200  -1.442   3.881
  103   2HB   ARG  15          1HB       ARG  15  11.431  -1.089   5.083
  104   1HG   ARG  15          2HG       ARG  15  10.169  -2.727   6.567
  105   2HG   ARG  15          1HG       ARG  15   9.367  -3.237   5.078
  106   1HD   ARG  15          2HD       ARG  15  12.350  -3.242   5.561
  107   2HD   ARG  15          1HD       ARG  15  11.304  -4.661   5.607
  108    HE   ARG  15           HE       ARG  15  11.206  -3.187   3.131
  109   1HH1  ARG  15          1HH1      ARG  15  12.801  -5.736   4.906
  110   2HH1  ARG  15          2HH1      ARG  15  13.374  -6.537   3.482
  111   1HH2  ARG  15          1HH2      ARG  15  11.960  -4.242   1.259
  112   2HH2  ARG  15          2HH2      ARG  15  12.898  -5.690   1.412
  113    H    LYS  16           H        LYS  16   8.845   0.404   7.792
  114    HA   LYS  16           HA       LYS  16  11.042   2.340   7.972
  115   1HB   LYS  16          2HB       LYS  16   8.550   2.472   9.615
  116   2HB   LYS  16          1HB       LYS  16   9.704   3.752   9.316
  117   1HG   LYS  16          2HG       LYS  16   7.861   2.561   7.275
  118   2HG   LYS  16          1HG       LYS  16   7.663   4.115   8.079
  119   1HD   LYS  16          2HD       LYS  16  10.094   4.515   7.137
  120   2HD   LYS  16          1HD       LYS  16   9.589   3.294   5.967
  121   1HE   LYS  16          2HE       LYS  16   7.575   4.670   5.488
  122   2HE   LYS  16          1HE       LYS  16   8.221   5.915   6.557
  123   1HZ   LYS  16          1HZ       LYS  16  10.194   6.014   5.103
  124   2HZ   LYS  16          2HZ       LYS  16   8.768   6.450   4.304
  125   3HZ   LYS  16          3HZ       LYS  16   9.450   4.925   4.042
  126    H    ASP  17           H        ASP  17  12.360   2.401   9.603
  127    HA   ASP  17           HA       ASP  17  13.631   1.631  11.341
  128   1HB   ASP  17          2HB       ASP  17  11.754   2.586  12.592
  129   2HB   ASP  17          1HB       ASP  17  10.897   1.058  12.488
  130    H    GLY  18           H        GLY  18  12.921  -0.167   9.188
  131   1HA   GLY  18          2HA       GLY  18  13.509  -2.347   8.694
  132   2HA   GLY  18          1HA       GLY  18  13.795  -2.625  10.404
  133    H    GLU  19           H        GLU  19  10.743  -1.304  10.085
  134    HA   GLU  19           HA       GLU  19   9.516  -3.911   9.919
  135   1HB   GLU  19          2HB       GLU  19   8.687  -1.618  11.687
  136   2HB   GLU  19          1HB       GLU  19   7.887  -3.185  11.584
  137   1HG   GLU  19          2HG       GLU  19  10.147  -4.158  12.202
  138   2HG   GLU  19          1HG       GLU  19  10.573  -2.522  12.692
  139    H    TRP  20           H        TRP  20   7.319  -3.891   9.257
  140    HA   TRP  20           HA       TRP  20   6.926  -2.083   7.070
  141   1HB   TRP  20          2HB       TRP  20   5.414  -4.512   8.090
  142   2HB   TRP  20          1HB       TRP  20   4.822  -3.547   6.743
  143    HD1  TRP  20           HD       TRP  20   6.832  -6.528   7.370
  144    HE1  TRP  20           1HE      TRP  20   8.253  -7.122   5.304
  145    HE3  TRP  20           3HE      TRP  20   6.317  -2.163   4.806
  146    HZ2  TRP  20           2HZ      TRP  20   9.055  -5.875   2.888
  147    HZ3  TRP  20           3HZ      TRP  20   7.440  -1.941   2.648
  148    HH2  TRP  20           HH       TRP  20   8.777  -3.745   1.691
  149    H    VAL  21           H        VAL  21   5.682  -0.295   7.155
  150    HA   VAL  21           HA       VAL  21   3.488  -0.150   9.072
  151    HB   VAL  21           HB       VAL  21   4.624   2.467   8.854
  152   1HG1  VAL  21          1HG1      VAL  21   3.173   1.010  10.653
  153   2HG1  VAL  21          2HG1      VAL  21   3.852   2.611  10.940
  154   3HG1  VAL  21          3HG1      VAL  21   4.729   1.175  11.465
  155   1HG2  VAL  21          1HG2      VAL  21   6.819   1.713   8.683
  156   2HG2  VAL  21          2HG2      VAL  21   6.521   0.306   9.704
  157   3HG2  VAL  21          3HG2      VAL  21   6.608   1.912  10.420
  158    H    LEU  22           H        LEU  22   1.709   0.922   8.272
  159    HA   LEU  22           HA       LEU  22   1.891   1.605   5.493
  160   1HB   LEU  22          2HB       LEU  22  -0.774   1.904   6.339
  161   2HB   LEU  22          1HB       LEU  22  -0.068   0.711   5.271
  162    HG   LEU  22           HG       LEU  22  -1.255  -0.447   6.965
  163   1HD1  LEU  22          1HD1      LEU  22   1.277  -0.994   8.198
  164   2HD1  LEU  22          2HD1      LEU  22   1.468  -0.761   6.456
  165   3HD1  LEU  22          3HD1      LEU  22   0.342  -1.977   7.070
  166   1HD2  LEU  22          1HD2      LEU  22  -1.575   0.582   8.910
  167   2HD2  LEU  22          2HD2      LEU  22  -0.228   1.683   8.609
  168   3HD2  LEU  22          3HD2      LEU  22   0.067   0.108   9.353
  169    H    LEU  23           H        LEU  23   1.289   3.286   4.545
  170    HA   LEU  23           HA       LEU  23   1.899   5.777   5.744
  171   1HB   LEU  23          2HB       LEU  23   0.773   4.937   3.098
  172   2HB   LEU  23          1HB       LEU  23   0.848   6.638   3.519
  173    HG   LEU  23           HG       LEU  23   3.400   5.413   4.031
  174   1HD1  LEU  23          1HD1      LEU  23   3.274   3.813   2.424
  175   2HD1  LEU  23          2HD1      LEU  23   3.755   5.176   1.413
  176   3HD1  LEU  23          3HD1      LEU  23   2.062   4.686   1.487
  177   1HD2  LEU  23          1HD2      LEU  23   3.102   7.258   1.765
  178   2HD2  LEU  23          2HD2      LEU  23   4.143   7.358   3.185
  179   3HD2  LEU  23          3HD2      LEU  23   2.451   7.845   3.295
  180    H    SER  24           H        SER  24   0.072   5.126   7.502
  181    HA   SER  24           HA       SER  24  -2.591   5.926   6.768
  182   1HB   SER  24          2HB       SER  24  -1.430   5.492   9.531
  183   2HB   SER  24          1HB       SER  24  -3.141   5.551   9.105
  184    HG   SER  24           HG       SER  24  -2.808   3.671   7.845
  185    H    THR  25           H        THR  25  -3.662   7.571   8.390
  186    HA   THR  25           HA       THR  25  -2.289  10.078   7.961
  187    HB   THR  25           HB       THR  25  -4.807  10.028   9.518
  188    HG1  THR  25           1HG      THR  25  -4.660   9.164   6.825
  189   1HG2  THR  25          1HG2      THR  25  -5.465  11.750   7.889
  190   2HG2  THR  25          2HG2      THR  25  -3.906  11.551   7.088
  191   3HG2  THR  25          3HG2      THR  25  -3.976  12.144   8.748
  192    H    PHE  26           H        PHE  26  -1.583  11.504   9.530
  193    HA   PHE  26           HA       PHE  26  -0.887  10.285  12.069
  194   1HB   PHE  26          2HB       PHE  26   0.518  12.260  12.403
  195   2HB   PHE  26          1HB       PHE  26   0.816  11.543  10.823
  196    HD1  PHE  26           1HD      PHE  26  -1.057  14.263  12.517
  197    HD2  PHE  26           2HD      PHE  26   0.663  12.834   8.896
  198    HE1  PHE  26           1HE      PHE  26  -1.489  16.441  11.456
  199    HE2  PHE  26           2HE      PHE  26   0.235  15.009   7.829
  200    HZ   PHE  26           HZ       PHE  26  -0.842  16.816   9.109
  201    H    LEU  27           H        LEU  27  -3.160  12.574  10.822
  202    HA   LEU  27           HA       LEU  27  -3.747  13.734  13.408
  203   1HB   LEU  27          2HB       LEU  27  -3.890  14.972  11.208
  204   2HB   LEU  27          1HB       LEU  27  -5.323  14.025  10.856
  205   1HD1  LEU  27          1HD2      LEU  27  -4.169  17.075  12.469
  206   2HD1  LEU  27          2HD2      LEU  27  -4.025  15.906  13.782
  207   3HD1  LEU  27          3HD2      LEU  27  -5.342  17.079  13.787
  208   1HD2  LEU  27          1HD1      LEU  27  -7.139  16.893  11.964
  209   2HD2  LEU  27          2HD1      LEU  27  -7.101  15.508  10.872
  210   3HD2  LEU  27          3HD1      LEU  27  -5.894  16.784  10.721