*HEADER    TOXIN                                   28-MAR-19   6OFA              
*TITLE     WASABI RECEPTOR TOXIN                                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: WASABI RECEPTOR TOXIN;                                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: URODACUS MANICATUS;                             
*SOURCE   4 ORGANISM_TAXID: 1330407                                              
*KEYWDS    CYSTEINE-STABILIZED HELICAL HAIRPIN, TRPA1, SCORPION, VENOM, TOXIN    
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    50                                                                    
*AUTHOR    J.V.LIN KING,M.J.S.KELLY,D.JULIUS                                     
*REVDAT   1   28-AUG-19 6OFA    0                                                
# Restraints file 1: merge.tbl
assign (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    3 and name  HD2) 3.122 1.218 1.218 weight 1.000 ! spec=D2O_NOESY, no=1, id=846, vol=7.566282e+05
assign (segid "   A" and resid    3 and name  HB2) (segid "   A" and resid    3 and name   HA) 2.234 0.624 0.624 weight 1.000 ! spec=D2O_NOESY, no=3, id=847, vol=5.631491e+06
assign (segid "   A" and resid    3 and name  HD1) (segid "   A" and resid    3 and name  HB2) 3.158 1.246 1.246 weight 1.000 ! spec=D2O_NOESY, no=4, id=848, vol=7.069800e+05
assign (segid "   A" and resid    3 and name  HB1) (segid "   A" and resid    3 and name   HA) 2.458 0.755 0.755 weight 1.000 ! spec=D2O_NOESY, no=6, id=849, vol=3.174639e+06
assign (segid "   A" and resid    3 and name  HD2) (segid "   A" and resid    3 and name  HB1) 2.885 1.041 1.041 weight 1.000 ! spec=D2O_NOESY, no=8, id=850, vol=1.213970e+06
assign (segid "   A" and resid    3 and name  HB2) (segid "   A" and resid    3 and name  HB1) 1.970 0.485 0.485 weight 1.000 ! spec=D2O_NOESY, no=10, id=851, vol=1.199151e+07
assign (segid "   A" and resid    3 and name  HD1) (segid "   A" and resid    3 and name  HD2) 1.961 0.481 0.481 weight 1.000 ! spec=D2O_NOESY, no=11, id=852, vol=1.231956e+07
assign (segid "   A" and resid   19 and name  HB1) (segid "   A" and resid   19 and name   HA) 2.101 0.552 0.552 weight 1.000 ! spec=D2O_NOESY, no=12, id=853, vol=8.153018e+06
assign (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   19 and name  HD1) 3.019 1.139 1.139 weight 1.000 ! spec=D2O_NOESY, no=13, id=854, vol=9.262645e+05
assign (segid "   A" and resid   19 and name  HB2) (segid "   A" and resid   19 and name   HA) 2.430 0.738 0.738 weight 1.000 ! spec=D2O_NOESY, no=16, id=855, vol=3.399571e+06
assign (segid "   A" and resid   19 and name  HB1) (segid "   A" and resid   19 and name  HD1) 3.115 1.213 1.213 weight 1.000 ! spec=D2O_NOESY, no=18, id=856, vol=7.669260e+05
assign (segid "   A" and resid   19 and name  HD1) (segid "   A" and resid   19 and name  HB2) 2.396 0.718 0.718 weight 1.000 ! spec=D2O_NOESY, no=19, id=857, vol=3.699690e+06
assign (segid "   A" and resid   29 and name  HD1) (segid "   A" and resid   29 and name  HB1) 2.883 1.039 1.039 weight 1.000 ! spec=D2O_NOESY, no=20, id=858, vol=1.221323e+06
assign (segid "   A" and resid   29 and name  HD1) (segid "   A" and resid   29 and name  HB2) 2.937 1.078 1.078 weight 1.000 ! spec=D2O_NOESY, no=22, id=859, vol=1.092708e+06
assign (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   29 and name  HB2) 2.198 0.604 0.604 weight 1.000 ! spec=D2O_NOESY, no=23, id=860, vol=6.213535e+06
assign (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   29 and name  HB1) 1.888 0.446 0.446 weight 1.000 ! spec=D2O_NOESY, no=25, id=861, vol=1.547370e+07
assign (segid "   A" and resid    6 and name  HB3) (segid "   A" and resid    6 and name   HA) 2.097 0.550 0.550 weight 1.000 ! spec=D2O_NOESY, no=41, id=875, vol=8.245169e+06
    or (segid "   A" and resid    6 and name  HB1) (segid "   A" and resid    6 and name   HA)
    or (segid "   A" and resid    6 and name  HB2) (segid "   A" and resid    6 and name   HA)
assign (segid "   A" and resid   10 and name  HE1) (segid "   A" and resid    6 and name  HB3) 2.403 0.722 0.722 weight 1.000 ! spec=D2O_NOESY, no=42, id=876, vol=3.639898e+06
    or (segid "   A" and resid   10 and name  HE1) (segid "   A" and resid    6 and name  HB1)
    or (segid "   A" and resid   10 and name  HE1) (segid "   A" and resid    6 and name  HB2)
    or (segid "   A" and resid   10 and name  HE2) (segid "   A" and resid    6 and name  HB3)
    or (segid "   A" and resid   10 and name  HE2) (segid "   A" and resid    6 and name  HB1)
    or (segid "   A" and resid   10 and name  HE2) (segid "   A" and resid    6 and name  HB2)
assign (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid    6 and name  HB3) 2.581 0.833 0.833 weight 1.000 ! spec=D2O_NOESY, no=43, id=877, vol=2.368121e+06
    or (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid    6 and name  HB1)
    or (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid    6 and name  HB2)
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid    6 and name  HB3)
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid    6 and name  HB1)
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid    6 and name  HB2)
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name  HB2) 2.360 0.696 0.696 weight 1.000 ! spec=D2O_NOESY, no=44, id=878, vol=4.056646e+06
assign (segid "   A" and resid    7 and name  HB1) (segid "   A" and resid    7 and name   HA) 2.535 0.804 0.804 weight 1.000 ! spec=D2O_NOESY, no=49, id=879, vol=2.637589e+06
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name  HG1) 2.866 1.027 1.027 weight 1.000 ! spec=D2O_NOESY, no=52, id=880, vol=1.263850e+06
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name  HG2) 2.791 0.974 0.974 weight 1.000 ! spec=D2O_NOESY, no=53, id=881, vol=1.481776e+06
assign (segid "   A" and resid    7 and name  HG1) (segid "   A" and resid    7 and name  HE1) 3.012 1.134 1.134 weight 1.000 ! spec=D2O_NOESY, no=70, id=888, vol=9.390495e+05
assign (segid "   A" and resid    7 and name  HG2) (segid "   A" and resid    7 and name  HE1) 3.140 1.233 1.233 weight 1.000 ! spec=D2O_NOESY, no=71, id=889, vol=7.308285e+05
assign (segid "   A" and resid   30 and name  HB1) (segid "   A" and resid   30 and name  HB2) 1.893 0.448 0.448 weight 1.000 ! spec=D2O_NOESY, no=77, id=893, vol=1.521725e+07
assign (segid "   A" and resid    7 and name  HD1) (segid "   A" and resid    7 and name  HE1) 2.683 0.900 0.900 weight 1.000 ! spec=D2O_NOESY, no=82, id=894, vol=1.878990e+06
assign (segid "   A" and resid    9 and name  HB2) (segid "   A" and resid    9 and name   HA) 2.292 0.657 0.657 weight 1.000 ! spec=D2O_NOESY, no=102, id=900, vol=4.835107e+06
assign (segid "   A" and resid    9 and name  HB1) (segid "   A" and resid    9 and name   HA) 2.552 0.814 0.814 weight 1.000 ! spec=D2O_NOESY, no=103, id=901, vol=2.536724e+06
assign (segid "   A" and resid    9 and name  HB1) (segid "   A" and resid    9 and name  HB2) 1.916 0.459 0.459 weight 1.000 ! spec=D2O_NOESY, no=104, id=902, vol=1.416204e+07
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   13 and name  HB2) 2.436 0.741 0.741 weight 1.000 ! spec=D2O_NOESY, no=109, id=906, vol=3.356661e+06
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   13 and name  HB1) 2.479 0.768 0.768 weight 1.000 ! spec=D2O_NOESY, no=110, id=907, vol=3.021410e+06
assign (segid "   A" and resid   13 and name  HB1) (segid "   A" and resid   13 and name  HB2) 1.965 0.483 0.483 weight 1.000 ! spec=D2O_NOESY, no=112, id=909, vol=1.216307e+07
assign (segid "   A" and resid    8 and name  HD2) (segid "   A" and resid    8 and name   HA) 2.239 0.627 0.627 weight 1.000 ! spec=D2O_NOESY, no=115, id=912, vol=5.564326e+06
    or (segid "   A" and resid    8 and name  HD1) (segid "   A" and resid    8 and name   HA)
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    8 and name  HB2) 2.287 0.654 0.654 weight 1.000 ! spec=D2O_NOESY, no=116, id=913, vol=4.890999e+06
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    8 and name  HB1) 2.320 0.673 0.673 weight 1.000 ! spec=D2O_NOESY, no=117, id=914, vol=4.495944e+06
assign (segid "   A" and resid    8 and name  HD2) (segid "   A" and resid    8 and name  HE2) 1.789 0.400 0.400 weight 1.000 ! spec=D2O_NOESY, no=126, id=920, vol=2.134120e+07
    or (segid "   A" and resid    8 and name  HD2) (segid "   A" and resid    8 and name  HE1)
    or (segid "   A" and resid    8 and name  HD1) (segid "   A" and resid    8 and name  HE2)
    or (segid "   A" and resid    8 and name  HD1) (segid "   A" and resid    8 and name  HE1)
assign (segid "   A" and resid    8 and name  HE2) (segid "   A" and resid   12 and name  HG1) 2.733 0.934 0.934 weight 1.000 ! spec=D2O_NOESY, no=130, id=921, vol=1.681469e+06
    or (segid "   A" and resid    8 and name  HE1) (segid "   A" and resid   12 and name  HG1)
assign (segid "   A" and resid    8 and name  HE2) (segid "   A" and resid   12 and name  HB1) 3.034 1.151 1.151 weight 1.000 ! spec=D2O_NOESY, no=131, id=922, vol=8.982715e+05
    or (segid "   A" and resid    8 and name  HE1) (segid "   A" and resid   12 and name  HB1)
assign (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   10 and name   HA) 2.196 0.603 0.603 weight 1.000 ! spec=D2O_NOESY, no=132, id=923, vol=6.252207e+06
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   10 and name   HA)
assign (segid "   A" and resid    8 and name  HD2) (segid "   A" and resid    8 and name  HB1) 2.182 0.595 0.595 weight 1.000 ! spec=D2O_NOESY, no=133, id=924, vol=6.487144e+06
    or (segid "   A" and resid    8 and name  HD1) (segid "   A" and resid    8 and name  HB1)
assign (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid    8 and name  HD2) 2.210 0.610 0.610 weight 1.000 ! spec=D2O_NOESY, no=134, id=925, vol=6.018399e+06
    or (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid    8 and name  HD1)
assign (segid "   A" and resid    8 and name  HD2) (segid "   A" and resid    9 and name   HA) 3.024 1.143 1.143 weight 1.000 ! spec=D2O_NOESY, no=141, id=931, vol=9.162762e+05
    or (segid "   A" and resid    8 and name  HD1) (segid "   A" and resid    9 and name   HA)
assign (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   10 and name  HB2) 2.604 0.848 0.848 weight 1.000 ! spec=D2O_NOESY, no=142, id=932, vol=2.245828e+06
assign (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   10 and name  HB1) 2.394 0.717 0.717 weight 1.000 ! spec=D2O_NOESY, no=143, id=933, vol=3.718118e+06
assign (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid   10 and name  HB1) 1.901 0.452 0.452 weight 1.000 ! spec=D2O_NOESY, no=145, id=935, vol=1.484262e+07
assign (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   10 and name  HB1) 2.179 0.594 0.594 weight 1.000 ! spec=D2O_NOESY, no=149, id=938, vol=6.538684e+06
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   10 and name  HB1)
assign (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   10 and name  HB2) 2.162 0.584 0.584 weight 1.000 ! spec=D2O_NOESY, no=150, id=939, vol=6.868704e+06
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   10 and name  HB2)
assign (segid "   A" and resid   10 and name  HE1) (segid "   A" and resid   10 and name  HB2) 3.167 1.254 1.254 weight 1.000 ! spec=D2O_NOESY, no=152, id=941, vol=6.947425e+05
    or (segid "   A" and resid   10 and name  HE2) (segid "   A" and resid   10 and name  HB2)
assign (segid "   A" and resid   10 and name  HE1) (segid "   A" and resid   10 and name  HB1) 3.206 1.285 1.285 weight 1.000 ! spec=D2O_NOESY, no=153, id=942, vol=6.453420e+05
    or (segid "   A" and resid   10 and name  HE2) (segid "   A" and resid   10 and name  HB1)
assign (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid    6 and name   HA) 3.067 1.176 1.176 weight 1.000 ! spec=D2O_NOESY, no=154, id=943, vol=8.421615e+05
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid    6 and name   HA)
assign (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   27 and name  HB1) 3.019 1.139 1.139 weight 1.000 ! spec=D2O_NOESY, no=157, id=946, vol=9.252455e+05
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   27 and name  HB1)
assign (segid "   A" and resid   10 and name  HE1) (segid "   A" and resid   27 and name  HB2) 2.892 1.046 1.046 weight 1.000 ! spec=D2O_NOESY, no=159, id=947, vol=1.196475e+06
    or (segid "   A" and resid   10 and name  HE2) (segid "   A" and resid   27 and name  HB2)
assign (segid "   A" and resid   10 and name  HE1) (segid "   A" and resid   24 and name  HB2) 3.203 1.283 1.283 weight 1.000 ! spec=D2O_NOESY, no=160, id=948, vol=6.487070e+05
    or (segid "   A" and resid   10 and name  HE2) (segid "   A" and resid   24 and name  HB2)
assign (segid "   A" and resid   10 and name  HE1) (segid "   A" and resid   27 and name  HB1) 2.697 0.909 0.909 weight 1.000 ! spec=D2O_NOESY, no=161, id=949, vol=1.819766e+06
    or (segid "   A" and resid   10 and name  HE2) (segid "   A" and resid   27 and name  HB1)
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   11 and name  HB2) 2.129 0.567 0.567 weight 1.000 ! spec=D2O_NOESY, no=163, id=951, vol=7.521121e+06
assign (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid   11 and name  HB2) 1.886 0.445 0.445 weight 1.000 ! spec=D2O_NOESY, no=165, id=953, vol=1.554429e+07
assign (segid "   A" and resid   11 and name  HG1) (segid "   A" and resid   11 and name  HG2) 2.071 0.536 0.536 weight 1.000 ! spec=D2O_NOESY, no=168, id=954, vol=8.882946e+06
assign (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid   20 and name  HB2) 2.172 0.590 0.590 weight 1.000 ! spec=D2O_NOESY, no=178, id=961, vol=6.674805e+06
    or (segid "   A" and resid   20 and name  HD2) (segid "   A" and resid   20 and name  HB2)
assign (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid   20 and name  HB1) 2.202 0.606 0.606 weight 1.000 ! spec=D2O_NOESY, no=179, id=962, vol=6.141004e+06
    or (segid "   A" and resid   20 and name  HD2) (segid "   A" and resid   20 and name  HB1)
assign (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid   20 and name   HA) 2.370 0.702 0.702 weight 1.000 ! spec=D2O_NOESY, no=180, id=963, vol=3.951168e+06
    or (segid "   A" and resid   20 and name  HD2) (segid "   A" and resid   20 and name   HA)
assign (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid   21 and name   HA) 2.684 0.901 0.901 weight 1.000 ! spec=D2O_NOESY, no=183, id=966, vol=1.872057e+06
    or (segid "   A" and resid   20 and name  HD2) (segid "   A" and resid   21 and name   HA)
assign (segid "   A" and resid   20 and name   HA) (segid "   A" and resid   20 and name  HB1) 2.298 0.660 0.660 weight 1.000 ! spec=D2O_NOESY, no=187, id=970, vol=4.760054e+06
assign (segid "   A" and resid   20 and name   HA) (segid "   A" and resid   20 and name  HB2) 2.424 0.734 0.734 weight 1.000 ! spec=D2O_NOESY, no=188, id=971, vol=3.455658e+06
assign (segid "   A" and resid   20 and name  HB1) (segid "   A" and resid   20 and name  HB2) 1.873 0.438 0.438 weight 1.000 ! spec=D2O_NOESY, no=189, id=972, vol=1.624992e+07
assign (segid "   A" and resid   21 and name  HB2) (segid "   A" and resid   21 and name   HA) 2.001 0.500 0.500 weight 1.000 ! spec=D2O_NOESY, no=194, id=974, vol=1.092895e+07
assign (segid "   A" and resid   22 and name  HG2) (segid "   A" and resid   22 and name   HA) 2.531 0.800 0.800 weight 1.000 ! spec=D2O_NOESY, no=200, id=979, vol=2.667838e+06
assign (segid "   A" and resid   22 and name  HG1) (segid "   A" and resid   22 and name   HA) 2.615 0.855 0.855 weight 1.000 ! spec=D2O_NOESY, no=201, id=980, vol=2.190465e+06
assign (segid "   A" and resid   23 and name  HB2) (segid "   A" and resid   23 and name   HA) 2.552 0.814 0.814 weight 1.000 ! spec=D2O_NOESY, no=212, id=989, vol=2.534774e+06
assign (segid "   A" and resid   23 and name  HB2) (segid "   A" and resid   23 and name  HB1) 1.926 0.464 0.464 weight 1.000 ! spec=D2O_NOESY, no=214, id=991, vol=1.371485e+07
assign (segid "   A" and resid   23 and name  HB1) (segid "   A" and resid   23 and name   HA) 2.356 0.694 0.694 weight 1.000 ! spec=D2O_NOESY, no=217, id=993, vol=4.092685e+06
assign (segid "   A" and resid   24 and name  HD2) (segid "   A" and resid   24 and name  HB2) 2.178 0.593 0.593 weight 1.000 ! spec=D2O_NOESY, no=218, id=994, vol=6.555861e+06
    or (segid "   A" and resid   24 and name  HD1) (segid "   A" and resid   24 and name  HB2)
assign (segid "   A" and resid   24 and name  HD2) (segid "   A" and resid   24 and name  HB1) 2.170 0.589 0.589 weight 1.000 ! spec=D2O_NOESY, no=219, id=995, vol=6.711370e+06
    or (segid "   A" and resid   24 and name  HD1) (segid "   A" and resid   24 and name  HB1)
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name  HB2) 2.342 0.685 0.685 weight 1.000 ! spec=D2O_NOESY, no=220, id=996, vol=4.250716e+06
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name  HB1) 2.677 0.896 0.896 weight 1.000 ! spec=D2O_NOESY, no=221, id=997, vol=1.905419e+06
assign (segid "   A" and resid   24 and name  HD2) (segid "   A" and resid   24 and name   HA) 2.400 0.720 0.720 weight 1.000 ! spec=D2O_NOESY, no=226, id=1001, vol=3.665846e+06
    or (segid "   A" and resid   24 and name  HD1) (segid "   A" and resid   24 and name   HA)
assign (segid "   A" and resid   24 and name  HD2) (segid "   A" and resid   25 and name   HA) 2.742 0.940 0.940 weight 1.000 ! spec=D2O_NOESY, no=227, id=1002, vol=1.647712e+06
    or (segid "   A" and resid   24 and name  HD1) (segid "   A" and resid   25 and name   HA)
assign (segid "   A" and resid   10 and name  HE1) (segid "   A" and resid   24 and name   HA) 2.377 0.706 0.706 weight 1.000 ! spec=D2O_NOESY, no=228, id=1003, vol=3.885717e+06
    or (segid "   A" and resid   10 and name  HE2) (segid "   A" and resid   24 and name   HA)
assign (segid "   A" and resid   24 and name  HD2) (segid "   A" and resid   24 and name  HE2) 1.771 0.392 0.392 weight 1.000 ! spec=D2O_NOESY, no=231, id=1006, vol=2.274221e+07
    or (segid "   A" and resid   24 and name  HD2) (segid "   A" and resid   24 and name  HE1)
    or (segid "   A" and resid   24 and name  HD1) (segid "   A" and resid   24 and name  HE2)
    or (segid "   A" and resid   24 and name  HD1) (segid "   A" and resid   24 and name  HE1)
assign (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   10 and name  HE1) 1.817 0.413 0.413 weight 1.000 ! spec=D2O_NOESY, no=233, id=1008, vol=1.943917e+07
    or (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   10 and name  HE2)
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   10 and name  HE1)
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   10 and name  HE2)
assign (segid "   A" and resid   24 and name  HD2) (segid "   A" and resid   28 and name  HB2) 3.148 1.238 1.238 weight 1.000 ! spec=D2O_NOESY, no=236, id=1009, vol=7.203872e+05
    or (segid "   A" and resid   24 and name  HD1) (segid "   A" and resid   28 and name  HB2)
assign (segid "   A" and resid   24 and name  HD2) (segid "   A" and resid   28 and name  HB1) 2.943 1.083 1.083 weight 1.000 ! spec=D2O_NOESY, no=237, id=1010, vol=1.078609e+06
    or (segid "   A" and resid   24 and name  HD1) (segid "   A" and resid   28 and name  HB1)
assign (segid "   A" and resid   24 and name  HE2) (segid "   A" and resid   28 and name  HB2) 2.938 1.079 1.079 weight 1.000 ! spec=D2O_NOESY, no=245, id=1011, vol=1.088994e+06
    or (segid "   A" and resid   24 and name  HE1) (segid "   A" and resid   28 and name  HB2)
assign (segid "   A" and resid   24 and name  HE2) (segid "   A" and resid   28 and name  HB1) 2.884 1.040 1.040 weight 1.000 ! spec=D2O_NOESY, no=246, id=1012, vol=1.218186e+06
    or (segid "   A" and resid   24 and name  HE1) (segid "   A" and resid   28 and name  HB1)
assign (segid "   A" and resid   24 and name  HE2) (segid "   A" and resid   24 and name  HB1) 3.160 1.248 1.248 weight 1.000 ! spec=D2O_NOESY, no=247, id=1013, vol=7.034530e+05
    or (segid "   A" and resid   24 and name  HE1) (segid "   A" and resid   24 and name  HB1)
assign (segid "   A" and resid   24 and name  HE2) (segid "   A" and resid   24 and name  HB2) 3.278 1.343 1.343 weight 1.000 ! spec=D2O_NOESY, no=248, id=1014, vol=5.651985e+05
    or (segid "   A" and resid   24 and name  HE1) (segid "   A" and resid   24 and name  HB2)
assign (segid "   A" and resid   29 and name  HD1) (segid "   A" and resid   29 and name  HD2) 1.853 0.429 0.429 weight 1.000 ! spec=D2O_NOESY, no=249, id=1015, vol=1.732552e+07
assign (segid "   A" and resid   28 and name  HB2) (segid "   A" and resid   28 and name  HB1) 1.891 0.447 0.447 weight 1.000 ! spec=D2O_NOESY, no=251, id=1016, vol=1.532803e+07
assign (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   25 and name  HG2) 2.796 0.977 0.977 weight 1.000 ! spec=D2O_NOESY, no=253, id=1017, vol=1.466912e+06
assign (segid "   A" and resid   25 and name  HG1) (segid "   A" and resid   25 and name   HA) 3.053 1.165 1.165 weight 1.000 ! spec=D2O_NOESY, no=262, id=1022, vol=8.645470e+05
assign (segid "   A" and resid   26 and name   HA) (segid "   A" and resid   26 and name  HB2) 2.349 0.690 0.690 weight 1.000 ! spec=D2O_NOESY, no=265, id=1024, vol=4.171788e+06
assign (segid "   A" and resid   26 and name   HA) (segid "   A" and resid   26 and name  HB1) 2.319 0.672 0.672 weight 1.000 ! spec=D2O_NOESY, no=266, id=1025, vol=4.510502e+06
assign (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   26 and name  HE3) 2.472 0.764 0.764 weight 1.000 ! spec=D2O_NOESY, no=275, id=1028, vol=3.068314e+06
    or (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   26 and name  HE1)
    or (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   26 and name  HE2)
assign (segid "   A" and resid   27 and name  HB1) (segid "   A" and resid   27 and name  HB2) 2.087 0.545 0.545 weight 1.000 ! spec=D2O_NOESY, no=283, id=1030, vol=8.469409e+06
assign (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   28 and name  HB1) 2.154 0.580 0.580 weight 1.000 ! spec=D2O_NOESY, no=288, id=1033, vol=7.007149e+06
assign (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   28 and name  HB2) 2.083 0.542 0.542 weight 1.000 ! spec=D2O_NOESY, no=289, id=1034, vol=8.573406e+06
assign (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   29 and name  HG2) 2.609 0.851 0.851 weight 1.000 ! spec=D2O_NOESY, no=296, id=1038, vol=2.222621e+06
assign (segid "   A" and resid   29 and name  HD1) (segid "   A" and resid   29 and name  HG2) 2.369 0.702 0.702 weight 1.000 ! spec=D2O_NOESY, no=298, id=1039, vol=3.963440e+06
assign (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   29 and name  HB1) 2.436 0.742 0.742 weight 1.000 ! spec=D2O_NOESY, no=299, id=1040, vol=3.350169e+06
assign (segid "   A" and resid   29 and name  HG1) (segid "   A" and resid   29 and name   HA) 2.850 1.016 1.016 weight 1.000 ! spec=D2O_NOESY, no=300, id=1041, vol=1.306638e+06
assign (segid "   A" and resid   29 and name  HD1) (segid "   A" and resid   29 and name  HG1) 2.383 0.710 0.710 weight 1.000 ! spec=D2O_NOESY, no=301, id=1042, vol=3.827918e+06
assign (segid "   A" and resid   29 and name  HD2) (segid "   A" and resid   29 and name  HG1) 2.466 0.760 0.760 weight 1.000 ! spec=D2O_NOESY, no=308, id=1048, vol=3.113845e+06
assign (segid "   A" and resid   29 and name  HD2) (segid "   A" and resid   29 and name  HG2) 2.701 0.912 0.912 weight 1.000 ! spec=D2O_NOESY, no=309, id=1049, vol=1.805426e+06
assign (segid "   A" and resid   29 and name  HD2) (segid "   A" and resid   29 and name  HB1) 2.708 0.917 0.917 weight 1.000 ! spec=D2O_NOESY, no=310, id=1050, vol=1.777417e+06
assign (segid "   A" and resid   29 and name  HD2) (segid "   A" and resid   29 and name  HB2) 3.081 1.186 1.186 weight 1.000 ! spec=D2O_NOESY, no=312, id=1052, vol=8.196445e+05
assign (segid "   A" and resid   29 and name  HG2) (segid "   A" and resid   29 and name  HB2) 2.460 0.756 0.756 weight 1.000 ! spec=D2O_NOESY, no=316, id=1056, vol=3.165176e+06
assign (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   29 and name  HG1) 2.413 0.728 0.728 weight 1.000 ! spec=D2O_NOESY, no=317, id=1057, vol=3.553664e+06
assign (segid "   A" and resid   30 and name  HB2) (segid "   A" and resid   30 and name   HA) 2.609 0.851 0.851 weight 1.000 ! spec=D2O_NOESY, no=328, id=1064, vol=2.223624e+06
assign (segid "   A" and resid   30 and name   HG) (segid "   A" and resid   30 and name   HA) 2.645 0.874 0.874 weight 1.000 ! spec=D2O_NOESY, no=329, id=1065, vol=2.046957e+06
assign (segid "   A" and resid   30 and name  HB1) (segid "   A" and resid   30 and name   HA) 2.297 0.660 0.660 weight 1.000 ! spec=D2O_NOESY, no=330, id=1066, vol=4.769180e+06
assign (segid "   A" and resid   30 and name HD22) (segid "   A" and resid   30 and name   HA) 2.093 0.548 0.548 weight 1.000 ! spec=D2O_NOESY, no=334, id=1069, vol=8.326110e+06
    or (segid "   A" and resid   30 and name HD21) (segid "   A" and resid   30 and name   HA)
    or (segid "   A" and resid   30 and name HD23) (segid "   A" and resid   30 and name   HA)
assign (segid "   A" and resid   30 and name HD11) (segid "   A" and resid   30 and name   HA) 2.829 1.000 1.000 weight 1.000 ! spec=D2O_NOESY, no=335, id=1070, vol=1.368090e+06
    or (segid "   A" and resid   30 and name HD13) (segid "   A" and resid   30 and name   HA)
    or (segid "   A" and resid   30 and name HD12) (segid "   A" and resid   30 and name   HA)
assign (segid "   A" and resid   30 and name HD11) (segid "   A" and resid   30 and name  HB2) 2.335 0.682 0.682 weight 1.000 ! spec=D2O_NOESY, no=340, id=1075, vol=4.317407e+06
    or (segid "   A" and resid   30 and name HD13) (segid "   A" and resid   30 and name  HB2)
    or (segid "   A" and resid   30 and name HD12) (segid "   A" and resid   30 and name  HB2)
assign (segid "   A" and resid   30 and name  HB2) (segid "   A" and resid   30 and name HD22) 2.707 0.916 0.916 weight 1.000 ! spec=D2O_NOESY, no=341, id=1076, vol=1.780326e+06
    or (segid "   A" and resid   30 and name  HB2) (segid "   A" and resid   30 and name HD21)
    or (segid "   A" and resid   30 and name  HB2) (segid "   A" and resid   30 and name HD23)
assign (segid "   A" and resid   30 and name   HG) (segid "   A" and resid   30 and name HD11) 2.212 0.612 0.612 weight 1.000 ! spec=D2O_NOESY, no=342, id=1077, vol=5.983986e+06
    or (segid "   A" and resid   30 and name   HG) (segid "   A" and resid   30 and name HD13)
    or (segid "   A" and resid   30 and name   HG) (segid "   A" and resid   30 and name HD12)
assign (segid "   A" and resid   30 and name  HB1) (segid "   A" and resid   30 and name HD11) 2.374 0.704 0.704 weight 1.000 ! spec=D2O_NOESY, no=344, id=1079, vol=3.913697e+06
    or (segid "   A" and resid   30 and name  HB1) (segid "   A" and resid   30 and name HD13)
    or (segid "   A" and resid   30 and name  HB1) (segid "   A" and resid   30 and name HD12)
assign (segid "   A" and resid   30 and name  HB1) (segid "   A" and resid   30 and name HD22) 2.452 0.751 0.751 weight 1.000 ! spec=D2O_NOESY, no=346, id=1080, vol=3.227555e+06
    or (segid "   A" and resid   30 and name  HB1) (segid "   A" and resid   30 and name HD21)
    or (segid "   A" and resid   30 and name  HB1) (segid "   A" and resid   30 and name HD23)
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   31 and name  HG1) 2.534 0.803 0.803 weight 1.000 ! spec=D2O_NOESY, no=358, id=1089, vol=2.644078e+06
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   31 and name  HG2) 2.780 0.966 0.966 weight 1.000 ! spec=D2O_NOESY, no=359, id=1090, vol=1.517498e+06
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   31 and name  HB2) 2.375 0.705 0.705 weight 1.000 ! spec=D2O_NOESY, no=360, id=1091, vol=3.908611e+06
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   31 and name  HB1) 2.368 0.701 0.701 weight 1.000 ! spec=D2O_NOESY, no=361, id=1092, vol=3.969440e+06
assign (segid "   A" and resid   31 and name  HB1) (segid "   A" and resid   31 and name  HG2) 2.766 0.956 0.956 weight 1.000 ! spec=D2O_NOESY, no=369, id=1100, vol=1.565945e+06
assign (segid "   A" and resid   32 and name  HB2) (segid "   A" and resid   32 and name   HA) 2.603 0.847 0.847 weight 1.000 ! spec=D2O_NOESY, no=372, id=1103, vol=2.253641e+06
assign (segid "   A" and resid   32 and name  HB1) (segid "   A" and resid   32 and name   HA) 2.686 0.902 0.902 weight 1.000 ! spec=D2O_NOESY, no=373, id=1104, vol=1.864244e+06
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name   HB) 2.432 0.739 0.739 weight 1.000 ! spec=D2O_NOESY, no=404, id=1117, vol=3.389292e+06
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name HG11) 2.212 0.612 0.612 weight 1.000 ! spec=D2O_NOESY, no=405, id=1118, vol=5.974338e+06
    or (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name HG13)
    or (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name HG12)
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name HG22) 2.117 0.560 0.560 weight 1.000 ! spec=D2O_NOESY, no=409, id=1121, vol=7.780740e+06
    or (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name HG21)
    or (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name HG23)
assign (segid "   A" and resid   15 and name HG22) (segid "   A" and resid   15 and name   HB) 2.098 0.550 0.550 weight 1.000 ! spec=D2O_NOESY, no=415, id=1125, vol=8.225116e+06
    or (segid "   A" and resid   15 and name HG21) (segid "   A" and resid   15 and name   HB)
    or (segid "   A" and resid   15 and name HG23) (segid "   A" and resid   15 and name   HB)
assign (segid "   A" and resid   15 and name HG11) (segid "   A" and resid   15 and name   HB) 2.097 0.550 0.550 weight 1.000 ! spec=D2O_NOESY, no=416, id=1126, vol=8.245002e+06
    or (segid "   A" and resid   15 and name HG13) (segid "   A" and resid   15 and name   HB)
    or (segid "   A" and resid   15 and name HG12) (segid "   A" and resid   15 and name   HB)
assign (segid "   A" and resid   16 and name  HB1) (segid "   A" and resid   16 and name  HB2) 1.906 0.454 0.454 weight 1.000 ! spec=D2O_NOESY, no=422, id=1129, vol=1.462865e+07
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   17 and name  HD2) 3.043 1.157 1.157 weight 1.000 ! spec=D2O_NOESY, no=429, id=1132, vol=8.831368e+05
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   17 and name  HB2) 2.133 0.569 0.569 weight 1.000 ! spec=D2O_NOESY, no=431, id=1134, vol=7.431876e+06
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   17 and name  HB1) 2.440 0.744 0.744 weight 1.000 ! spec=D2O_NOESY, no=432, id=1135, vol=3.316188e+06
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   17 and name  HD1) 3.144 1.235 1.235 weight 1.000 ! spec=D2O_NOESY, no=437, id=1139, vol=7.257295e+05
assign (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   17 and name  HB1) 1.889 0.446 0.446 weight 1.000 ! spec=D2O_NOESY, no=449, id=1144, vol=1.543709e+07
assign (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   17 and name  HD1) 2.463 0.758 0.758 weight 1.000 ! spec=D2O_NOESY, no=457, id=1148, vol=3.137286e+06
assign (segid "   A" and resid   18 and name   HB) (segid "   A" and resid   18 and name   HA) 2.585 0.836 0.836 weight 1.000 ! spec=D2O_NOESY, no=462, id=1153, vol=2.346118e+06
assign (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   18 and name HG11) 2.176 0.592 0.592 weight 1.000 ! spec=D2O_NOESY, no=465, id=1156, vol=6.607189e+06
    or (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   18 and name HG13)
    or (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   18 and name HG12)
assign (segid "   A" and resid   18 and name HG22) (segid "   A" and resid   18 and name   HB) 2.168 0.588 0.588 weight 1.000 ! spec=D2O_NOESY, no=466, id=1157, vol=6.740416e+06
    or (segid "   A" and resid   18 and name HG21) (segid "   A" and resid   18 and name   HB)
    or (segid "   A" and resid   18 and name HG23) (segid "   A" and resid   18 and name   HB)
assign (segid "   A" and resid   18 and name   HB) (segid "   A" and resid   18 and name HG11) 2.123 0.563 0.563 weight 1.000 ! spec=D2O_NOESY, no=467, id=1158, vol=7.651968e+06
    or (segid "   A" and resid   18 and name   HB) (segid "   A" and resid   18 and name HG13)
    or (segid "   A" and resid   18 and name   HB) (segid "   A" and resid   18 and name HG12)
assign (segid "   A" and resid   18 and name HG11) (segid "   A" and resid   18 and name HG22) 2.139 0.572 0.572 weight 1.000 ! spec=D2O_NOESY, no=470, id=1161, vol=7.309828e+06
    or (segid "   A" and resid   18 and name HG11) (segid "   A" and resid   18 and name HG21)
    or (segid "   A" and resid   18 and name HG11) (segid "   A" and resid   18 and name HG23)
    or (segid "   A" and resid   18 and name HG13) (segid "   A" and resid   18 and name HG22)
    or (segid "   A" and resid   18 and name HG13) (segid "   A" and resid   18 and name HG21)
    or (segid "   A" and resid   18 and name HG13) (segid "   A" and resid   18 and name HG23)
    or (segid "   A" and resid   18 and name HG12) (segid "   A" and resid   18 and name HG22)
    or (segid "   A" and resid   18 and name HG12) (segid "   A" and resid   18 and name HG21)
    or (segid "   A" and resid   18 and name HG12) (segid "   A" and resid   18 and name HG23)
assign (segid "   A" and resid   19 and name  HB2) (segid "   A" and resid   19 and name  HB1) 1.916 0.459 0.459 weight 1.000 ! spec=D2O_NOESY, no=483, id=1172, vol=1.416194e+07
assign (segid "   A" and resid    3 and name  HD2) (segid "   A" and resid    3 and name  HG2) 2.610 0.852 0.852 weight 1.000 ! spec=D2O_NOESY, no=504, id=1182, vol=2.214301e+06
assign (segid "   A" and resid    3 and name  HD1) (segid "   A" and resid    2 and name   HA) 2.467 0.761 0.761 weight 1.000 ! spec=D2O_NOESY, no=508, id=1184, vol=3.109754e+06
assign (segid "   A" and resid    3 and name  HD2) (segid "   A" and resid    2 and name   HA) 2.615 0.855 0.855 weight 1.000 ! spec=D2O_NOESY, no=509, id=1185, vol=2.191096e+06
assign (segid "   A" and resid   19 and name  HD2) (segid "   A" and resid   18 and name HG11) 3.205 1.284 1.284 weight 1.000 ! spec=D2O_NOESY, no=515, id=1188, vol=6.468615e+05
    or (segid "   A" and resid   19 and name  HD2) (segid "   A" and resid   18 and name HG13)
    or (segid "   A" and resid   19 and name  HD2) (segid "   A" and resid   18 and name HG12)
assign (segid "   A" and resid   19 and name  HD2) (segid "   A" and resid   19 and name  HD1) 1.862 0.433 0.433 weight 1.000 ! spec=D2O_NOESY, no=521, id=1194, vol=1.682668e+07
assign (segid "   A" and resid   19 and name  HB1) (segid "   A" and resid   19 and name  HD2) 3.084 1.189 1.189 weight 1.000 ! spec=D2O_NOESY, no=526, id=1197, vol=8.146462e+05
assign (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   19 and name  HD1) 2.129 0.567 0.567 weight 1.000 ! spec=D2O_NOESY, no=529, id=1200, vol=7.524946e+06
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid   11 and name  HB2) 2.631 0.865 0.865 weight 1.000 ! spec=D2O_NOESY, no=532, id=1203, vol=2.112854e+06
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid   11 and name  HB1) 2.358 0.695 0.695 weight 1.000 ! spec=D2O_NOESY, no=533, id=1204, vol=4.073416e+06
assign (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    8 and name  HB1) 2.690 0.904 0.904 weight 1.000 ! spec=D2O_NOESY, no=534, id=1205, vol=1.851008e+06
assign (segid "   A" and resid   20 and name   HA) (segid "   A" and resid   23 and name  HB2) 2.431 0.739 0.739 weight 1.000 ! spec=D2O_NOESY, no=543, id=1214, vol=3.395804e+06
assign (segid "   A" and resid   23 and name  HB1) (segid "   A" and resid   20 and name   HA) 2.542 0.807 0.807 weight 1.000 ! spec=D2O_NOESY, no=544, id=1215, vol=2.599873e+06
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   24 and name  HB1) 2.503 0.783 0.783 weight 1.000 ! spec=D2O_NOESY, no=549, id=1220, vol=2.847355e+06
assign (segid "   A" and resid   19 and name  HD2) (segid "   A" and resid   18 and name   HA) 1.971 0.486 0.486 weight 1.000 ! spec=D2O_NOESY, no=558, id=1226, vol=1.193440e+07
assign (segid "   A" and resid   13 and name  HB2) (segid "   A" and resid   23 and name  HB1) 2.864 1.026 1.026 weight 1.000 ! spec=D2O_NOESY, no=560, id=1228, vol=1.268324e+06
assign (segid "   A" and resid   23 and name  HB1) (segid "   A" and resid   13 and name  HB1) 3.211 1.289 1.289 weight 1.000 ! spec=D2O_NOESY, no=568, id=1230, vol=6.392102e+05
assign (segid "   A" and resid   18 and name   HB) (segid "   A" and resid   19 and name  HD1) 2.908 1.057 1.057 weight 1.000 ! spec=D2O_NOESY, no=570, id=1232, vol=1.158080e+06
assign (segid "   A" and resid    9 and name  HB1) (segid "   A" and resid   27 and name  HB1) 2.848 1.014 1.014 weight 1.000 ! spec=D2O_NOESY, no=579, id=1237, vol=1.311777e+06
assign (segid "   A" and resid    9 and name  HB1) (segid "   A" and resid    6 and name  HB3) 3.114 1.212 1.212 weight 1.000 ! spec=D2O_NOESY, no=589, id=1241, vol=7.681415e+05
    or (segid "   A" and resid    9 and name  HB1) (segid "   A" and resid    6 and name  HB1)
    or (segid "   A" and resid    9 and name  HB1) (segid "   A" and resid    6 and name  HB2)
assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid   30 and name HD11) 2.402 0.721 0.721 weight 1.000 ! spec=D2O_NOESY, no=590, id=1242, vol=3.651075e+06
    or (segid "   A" and resid    6 and name   HA) (segid "   A" and resid   30 and name HD13)
    or (segid "   A" and resid    6 and name   HA) (segid "   A" and resid   30 and name HD12)
assign (segid "   A" and resid    9 and name  HB1) (segid "   A" and resid    6 and name   HA) 2.465 0.759 0.759 weight 1.000 ! spec=D2O_NOESY, no=591, id=1243, vol=3.124980e+06
assign (segid "   A" and resid    9 and name  HB2) (segid "   A" and resid   30 and name HD11) 2.386 0.712 0.712 weight 1.000 ! spec=D2O_NOESY, no=593, id=1245, vol=3.793278e+06
    or (segid "   A" and resid    9 and name  HB2) (segid "   A" and resid   30 and name HD13)
    or (segid "   A" and resid    9 and name  HB2) (segid "   A" and resid   30 and name HD12)
assign (segid "   A" and resid    9 and name  HB1) (segid "   A" and resid   30 and name HD11) 2.641 0.872 0.872 weight 1.000 ! spec=D2O_NOESY, no=594, id=1246, vol=2.065692e+06
    or (segid "   A" and resid    9 and name  HB1) (segid "   A" and resid   30 and name HD13)
    or (segid "   A" and resid    9 and name  HB1) (segid "   A" and resid   30 and name HD12)
assign (segid "   A" and resid    6 and name  HB3) (segid "   A" and resid    3 and name   HA) 2.684 0.901 0.901 weight 1.000 ! spec=D2O_NOESY, no=598, id=1249, vol=1.873047e+06
    or (segid "   A" and resid    6 and name  HB1) (segid "   A" and resid    3 and name   HA)
    or (segid "   A" and resid    6 and name  HB2) (segid "   A" and resid    3 and name   HA)
assign (segid "   A" and resid    6 and name  HB3) (segid "   A" and resid   31 and name  HG1) 2.505 0.784 0.784 weight 1.000 ! spec=D2O_NOESY, no=604, id=1252, vol=2.835982e+06
    or (segid "   A" and resid    6 and name  HB1) (segid "   A" and resid   31 and name  HG1)
    or (segid "   A" and resid    6 and name  HB2) (segid "   A" and resid   31 and name  HG1)
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   11 and name  HG1) 2.741 0.939 0.939 weight 1.000 ! spec=D2O_NOESY, no=605, id=1253, vol=1.653408e+06
assign (segid "   A" and resid    3 and name  HG2) (segid "   A" and resid    3 and name  HB1) 1.912 0.457 0.457 weight 1.000 ! spec=D2O_NOESY, no=611, id=1255, vol=1.433188e+07
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid    6 and name  HB3) 2.571 0.826 0.826 weight 1.000 ! spec=D2O_NOESY, no=618, id=1259, vol=2.425210e+06
    or (segid "   A" and resid   31 and name   HA) (segid "   A" and resid    6 and name  HB1)
    or (segid "   A" and resid   31 and name   HA) (segid "   A" and resid    6 and name  HB2)
assign (segid "   A" and resid    6 and name  HB3) (segid "   A" and resid   31 and name  HG2) 2.779 0.965 0.965 weight 1.000 ! spec=D2O_NOESY, no=620, id=1261, vol=1.521130e+06
    or (segid "   A" and resid    6 and name  HB1) (segid "   A" and resid   31 and name  HG2)
    or (segid "   A" and resid    6 and name  HB2) (segid "   A" and resid   31 and name  HG2)
assign (segid "   A" and resid   16 and name  HB1) (segid "   A" and resid   13 and name   HA) 2.916 1.063 1.063 weight 1.000 ! spec=D2O_NOESY, no=630, id=1263, vol=1.139560e+06
assign (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   13 and name  HB1) 2.716 0.922 0.922 weight 1.000 ! spec=D2O_NOESY, no=636, id=1266, vol=1.744184e+06
assign (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   13 and name  HB2) 3.119 1.216 1.216 weight 1.000 ! spec=D2O_NOESY, no=637, id=1267, vol=7.604718e+05
assign (segid "   A" and resid   10 and name  HE1) (segid "   A" and resid   10 and name   HA) 3.170 1.256 1.256 weight 1.000 ! spec=D2O_NOESY, no=641, id=1270, vol=6.901942e+05
    or (segid "   A" and resid   10 and name  HE2) (segid "   A" and resid   10 and name   HA)
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   15 and name HG22) 2.277 0.648 0.648 weight 1.000 ! spec=D2O_NOESY, no=646, id=1271, vol=5.021330e+06
    or (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   15 and name HG21)
    or (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   15 and name HG23)
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   15 and name HG11) 2.753 0.947 0.947 weight 1.000 ! spec=D2O_NOESY, no=647, id=1272, vol=1.610458e+06
    or (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   15 and name HG13)
    or (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   15 and name HG12)
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   18 and name HG11) 2.257 0.637 0.637 weight 1.000 ! spec=D2O_NOESY, no=650, id=1273, vol=5.302383e+06
    or (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   18 and name HG13)
    or (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   18 and name HG12)
assign (segid "   A" and resid   18 and name HG22) (segid "   A" and resid   14 and name  HB1) 3.205 1.284 1.284 weight 1.000 ! spec=D2O_NOESY, no=653, id=1274, vol=6.461598e+05
    or (segid "   A" and resid   18 and name HG21) (segid "   A" and resid   14 and name  HB1)
    or (segid "   A" and resid   18 and name HG23) (segid "   A" and resid   14 and name  HB1)
assign (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   17 and name   HA) 2.939 1.080 1.080 weight 1.000 ! spec=D2O_NOESY, no=654, id=1275, vol=1.087745e+06
assign (segid "   A" and resid   18 and name HG11) (segid "   A" and resid   16 and name  HB1) 2.350 0.690 0.690 weight 1.000 ! spec=D2O_NOESY, no=658, id=1277, vol=4.157365e+06
    or (segid "   A" and resid   18 and name HG13) (segid "   A" and resid   16 and name  HB1)
    or (segid "   A" and resid   18 and name HG12) (segid "   A" and resid   16 and name  HB1)
assign (segid "   A" and resid   19 and name  HD1) (segid "   A" and resid   18 and name HG22) 2.278 0.649 0.649 weight 1.000 ! spec=D2O_NOESY, no=669, id=1286, vol=5.016532e+06
    or (segid "   A" and resid   19 and name  HD1) (segid "   A" and resid   18 and name HG21)
    or (segid "   A" and resid   19 and name  HD1) (segid "   A" and resid   18 and name HG23)
assign (segid "   A" and resid   18 and name HG22) (segid "   A" and resid   23 and name  HB2) 2.917 1.064 1.064 weight 1.000 ! spec=D2O_NOESY, no=671, id=1288, vol=1.137193e+06
    or (segid "   A" and resid   18 and name HG21) (segid "   A" and resid   23 and name  HB2)
    or (segid "   A" and resid   18 and name HG23) (segid "   A" and resid   23 and name  HB2)
assign (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   18 and name HG22) 2.465 0.760 0.760 weight 1.000 ! spec=D2O_NOESY, no=673, id=1290, vol=3.122785e+06
    or (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   18 and name HG21)
    or (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   18 and name HG23)
assign (segid "   A" and resid   23 and name  HB1) (segid "   A" and resid   18 and name HG22) 2.538 0.805 0.805 weight 1.000 ! spec=D2O_NOESY, no=674, id=1291, vol=2.622978e+06
    or (segid "   A" and resid   23 and name  HB1) (segid "   A" and resid   18 and name HG21)
    or (segid "   A" and resid   23 and name  HB1) (segid "   A" and resid   18 and name HG23)
assign (segid "   A" and resid   26 and name  HE3) (segid "   A" and resid   18 and name HG22) 2.532 0.801 0.801 weight 1.000 ! spec=D2O_NOESY, no=687, id=1297, vol=2.658996e+06
    or (segid "   A" and resid   26 and name  HE3) (segid "   A" and resid   18 and name HG21)
    or (segid "   A" and resid   26 and name  HE3) (segid "   A" and resid   18 and name HG23)
    or (segid "   A" and resid   26 and name  HE1) (segid "   A" and resid   18 and name HG22)
    or (segid "   A" and resid   26 and name  HE1) (segid "   A" and resid   18 and name HG21)
    or (segid "   A" and resid   26 and name  HE1) (segid "   A" and resid   18 and name HG23)
    or (segid "   A" and resid   26 and name  HE2) (segid "   A" and resid   18 and name HG22)
    or (segid "   A" and resid   26 and name  HE2) (segid "   A" and resid   18 and name HG21)
    or (segid "   A" and resid   26 and name  HE2) (segid "   A" and resid   18 and name HG23)
assign (segid "   A" and resid   19 and name  HB2) (segid "   A" and resid   18 and name HG22) 2.993 1.120 1.120 weight 1.000 ! spec=D2O_NOESY, no=688, id=1298, vol=9.744525e+05
    or (segid "   A" and resid   19 and name  HB2) (segid "   A" and resid   18 and name HG21)
    or (segid "   A" and resid   19 and name  HB2) (segid "   A" and resid   18 and name HG23)
assign (segid "   A" and resid   24 and name  HD2) (segid "   A" and resid   21 and name   HA) 3.236 1.309 1.309 weight 1.000 ! spec=D2O_NOESY, no=691, id=1301, vol=6.102982e+05
    or (segid "   A" and resid   24 and name  HD1) (segid "   A" and resid   21 and name   HA)
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   25 and name  HG2) 3.192 1.273 1.273 weight 1.000 ! spec=D2O_NOESY, no=696, id=1303, vol=6.628745e+05
assign (segid "   A" and resid   18 and name HG22) (segid "   A" and resid   22 and name  HG1) 3.289 1.352 1.352 weight 1.000 ! spec=D2O_NOESY, no=702, id=1307, vol=5.538342e+05
    or (segid "   A" and resid   18 and name HG21) (segid "   A" and resid   22 and name  HG1)
    or (segid "   A" and resid   18 and name HG23) (segid "   A" and resid   22 and name  HG1)
assign (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid    7 and name   HA) 2.576 0.829 0.829 weight 1.000 ! spec=D2O_NOESY, no=728, id=1321, vol=2.399490e+06
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid    7 and name   HA)
assign (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid   30 and name HD11) 2.720 0.925 0.925 weight 1.000 ! spec=D2O_NOESY, no=738, id=1327, vol=1.729390e+06
    or (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid   30 and name HD13)
    or (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid   30 and name HD12)
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   18 and name HG22) 2.992 1.119 1.119 weight 1.000 ! spec=D2O_NOESY, no=742, id=1330, vol=9.776035e+05
    or (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   18 and name HG21)
    or (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   18 and name HG23)
assign (segid "   A" and resid   26 and name  HE3) (segid "   A" and resid   18 and name HG11) 2.576 0.830 0.830 weight 1.000 ! spec=D2O_NOESY, no=743, id=1331, vol=2.397465e+06
    or (segid "   A" and resid   26 and name  HE3) (segid "   A" and resid   18 and name HG13)
    or (segid "   A" and resid   26 and name  HE3) (segid "   A" and resid   18 and name HG12)
    or (segid "   A" and resid   26 and name  HE1) (segid "   A" and resid   18 and name HG11)
    or (segid "   A" and resid   26 and name  HE1) (segid "   A" and resid   18 and name HG13)
    or (segid "   A" and resid   26 and name  HE1) (segid "   A" and resid   18 and name HG12)
    or (segid "   A" and resid   26 and name  HE2) (segid "   A" and resid   18 and name HG11)
    or (segid "   A" and resid   26 and name  HE2) (segid "   A" and resid   18 and name HG13)
    or (segid "   A" and resid   26 and name  HE2) (segid "   A" and resid   18 and name HG12)
assign (segid "   A" and resid   12 and name  HB1) (segid "   A" and resid   12 and name   HA) 2.424 0.734 0.734 weight 1.000 ! spec=D2O_NOESY, no=744, id=1332, vol=3.456352e+06
assign (segid "   A" and resid   12 and name  HG2) (segid "   A" and resid   12 and name   HA) 2.195 0.602 0.602 weight 1.000 ! spec=D2O_NOESY, no=745, id=1333, vol=6.270109e+06
assign (segid "   A" and resid    3 and name  HD1) (segid "   A" and resid    3 and name  HG2) 2.760 0.952 0.952 weight 1.000 ! spec=D2O_NOESY, no=747, id=1335, vol=1.585453e+06
assign (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   24 and name  HB2) 1.929 0.465 0.465 weight 1.000 ! spec=D2O_NOESY, no=748, id=1336, vol=1.360809e+07
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name   HA) 3.047 1.160 1.160 weight 1.000 ! spec=NOE_200_800, no=3, id=0, vol=1.450764e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name   HA) 2.595 0.842 0.842 weight 1.000 ! spec=NOE_200_800, no=13, id=1, vol=3.798974e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HB1) 2.445 0.747 0.747 weight 1.000 ! spec=NOE_200_800, no=14, id=2, vol=5.435338e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HB2) 2.576 0.830 0.830 weight 1.000 ! spec=NOE_200_800, no=15, id=3, vol=3.970487e+06
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name  HB2) 2.632 0.866 0.866 weight 1.000 ! spec=NOE_200_800, no=16, id=4, vol=3.487478e+06
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name  HB1) 2.977 1.108 1.108 weight 1.000 ! spec=NOE_200_800, no=17, id=5, vol=1.666595e+06
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name  HB1) 2.594 0.841 0.841 weight 1.000 ! spec=NOE_200_800, no=18, id=6, vol=3.811592e+06
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name  HB2) 2.614 0.854 0.854 weight 1.000 ! spec=NOE_200_800, no=19, id=7, vol=3.634138e+06
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name   HA) 3.172 1.258 1.258 weight 1.000 ! spec=NOE_200_800, no=20, id=8, vol=1.139457e+06
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name   HA) 2.501 0.782 0.782 weight 1.000 ! spec=NOE_200_800, no=21, id=9, vol=4.741999e+06
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name   HN) 2.627 0.863 0.863 weight 1.000 ! spec=NOE_200_800, no=22, id=10, vol=3.531472e+06
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   22 and name   HN) 2.544 0.809 0.809 weight 1.000 ! spec=NOE_200_800, no=24, id=11, vol=4.279169e+06
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   19 and name  HB2) 2.839 1.007 1.007 weight 1.000 ! spec=NOE_200_800, no=27, id=14, vol=2.218638e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name  HB2) 3.168 1.255 1.255 weight 1.000 ! spec=NOE_200_800, no=28, id=15, vol=1.147888e+06
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   19 and name  HB2) 3.045 1.159 1.159 weight 1.000 ! spec=NOE_200_800, no=29, id=16, vol=1.456918e+06
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HG2) 3.236 1.309 1.309 weight 1.000 ! spec=NOE_200_800, no=31, id=18, vol=1.011488e+06
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name   HA) 2.605 0.848 0.848 weight 1.000 ! spec=NOE_200_800, no=33, id=20, vol=3.715830e+06
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name  HB1) 3.005 1.129 1.129 weight 1.000 ! spec=NOE_200_800, no=35, id=21, vol=1.576260e+06
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name   HA) 3.257 1.326 1.326 weight 1.000 ! spec=NOE_200_800, no=37, id=23, vol=9.716245e+05
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   23 and name  HB1) 2.650 0.878 0.878 weight 1.000 ! spec=NOE_200_800, no=38, id=24, vol=3.349858e+06
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   23 and name  HB2) 2.815 0.991 0.991 weight 1.000 ! spec=NOE_200_800, no=39, id=25, vol=2.332319e+06
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name   HA) 3.101 1.202 1.202 weight 1.000 ! spec=NOE_200_800, no=40, id=26, vol=1.305078e+06
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   23 and name   HN) 2.748 0.944 0.944 weight 1.000 ! spec=NOE_200_800, no=43, id=27, vol=2.696165e+06
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name   HA) 2.560 0.819 0.819 weight 1.000 ! spec=NOE_200_800, no=44, id=28, vol=4.123648e+06
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   23 and name  HB2) 2.609 0.851 0.851 weight 1.000 ! spec=NOE_200_800, no=45, id=29, vol=3.681498e+06
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name  HB1) 2.420 0.732 0.732 weight 1.000 ! spec=NOE_200_800, no=46, id=30, vol=5.782302e+06
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   23 and name  HB1) 2.838 1.007 1.007 weight 1.000 ! spec=NOE_200_800, no=47, id=31, vol=2.221762e+06
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name  HB2) 2.368 0.701 0.701 weight 1.000 ! spec=NOE_200_800, no=48, id=32, vol=6.590324e+06
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   21 and name   HA) 3.102 1.202 1.202 weight 1.000 ! spec=NOE_200_800, no=51, id=35, vol=1.303603e+06
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name  HB1) 2.758 0.951 0.951 weight 1.000 ! spec=NOE_200_800, no=52, id=36, vol=2.637078e+06
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name  HB2) 2.985 1.114 1.114 weight 1.000 ! spec=NOE_200_800, no=53, id=37, vol=1.639526e+06
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name  HG1) 3.026 1.145 1.145 weight 1.000 ! spec=NOE_200_800, no=54, id=38, vol=1.511840e+06
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   23 and name   HA) 3.217 1.293 1.293 weight 1.000 ! spec=NOE_200_800, no=56, id=40, vol=1.047670e+06
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name  HE3) 2.691 0.905 0.905 weight 1.000 ! spec=NOE_200_800, no=59, id=43, vol=3.056072e+06
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name  HE1)
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name  HE2)
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name  HB1) 2.317 0.671 0.671 weight 1.000 ! spec=NOE_200_800, no=60, id=44, vol=7.493090e+06
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name  HG2) 2.962 1.097 1.097 weight 1.000 ! spec=NOE_200_800, no=62, id=45, vol=1.717536e+06
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   23 and name   HA) 3.118 1.216 1.216 weight 1.000 ! spec=NOE_200_800, no=70, id=46, vol=1.261930e+06
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    2 and name  HB1) 3.104 1.204 1.204 weight 1.000 ! spec=NOE_200_800, no=72, id=47, vol=1.297736e+06
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    2 and name  HB2) 3.079 1.185 1.185 weight 1.000 ! spec=NOE_200_800, no=73, id=48, vol=1.361404e+06
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    2 and name   HA) 3.023 1.142 1.142 weight 1.000 ! spec=NOE_200_800, no=75, id=49, vol=1.521008e+06
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   26 and name   HA) 3.075 1.182 1.182 weight 1.000 ! spec=NOE_200_800, no=76, id=50, vol=1.372143e+06
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name  HB1) 2.935 1.077 1.077 weight 1.000 ! spec=NOE_200_800, no=79, id=52, vol=1.813850e+06
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name   HA) 2.657 0.883 0.883 weight 1.000 ! spec=NOE_200_800, no=81, id=53, vol=3.294954e+06
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name  HB2) 2.538 0.805 0.805 weight 1.000 ! spec=NOE_200_800, no=83, id=55, vol=4.342452e+06
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name  HB1) 2.610 0.851 0.851 weight 1.000 ! spec=NOE_200_800, no=84, id=56, vol=3.671530e+06
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name   HA) 2.693 0.907 0.907 weight 1.000 ! spec=NOE_200_800, no=89, id=60, vol=3.041698e+06
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name   HA) 2.828 0.999 0.999 weight 1.000 ! spec=NOE_200_800, no=90, id=61, vol=2.270810e+06
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   32 and name  HB1) 3.194 1.275 1.275 weight 1.000 ! spec=NOE_200_800, no=93, id=63, vol=1.093712e+06
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   32 and name  HB2) 2.787 0.971 0.971 weight 1.000 ! spec=NOE_200_800, no=94, id=64, vol=2.478002e+06
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   31 and name   HA) 2.711 0.919 0.919 weight 1.000 ! spec=NOE_200_800, no=96, id=66, vol=2.920114e+06
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   32 and name   HA) 2.725 0.928 0.928 weight 1.000 ! spec=NOE_200_800, no=97, id=67, vol=2.832163e+06
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   32 and name   HN) 2.488 0.774 0.774 weight 1.000 ! spec=NOE_200_800, no=98, id=68, vol=4.890124e+06
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   32 and name   HA) 2.378 0.707 0.707 weight 1.000 ! spec=NOE_200_800, no=101, id=69, vol=6.423043e+06
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    3 and name  HG1) 3.121 1.218 1.218 weight 1.000 ! spec=NOE_200_800, no=104, id=71, vol=1.255936e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name  HB3) 2.153 0.580 0.580 weight 1.000 ! spec=NOE_200_800, no=105, id=72, vol=1.164613e+07
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name  HB1)
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name  HB2)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name  HB3) 2.400 0.720 0.720 weight 1.000 ! spec=NOE_200_800, no=107, id=73, vol=6.074464e+06
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name  HB1)
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name  HB2)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name  HB1) 2.314 0.669 0.669 weight 1.000 ! spec=NOE_200_800, no=111, id=75, vol=7.563104e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name  HB1) 2.574 0.828 0.828 weight 1.000 ! spec=NOE_200_800, no=112, id=76, vol=3.991204e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name  HB1) 2.580 0.832 0.832 weight 1.000 ! spec=NOE_200_800, no=113, id=77, vol=3.932770e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name  HB1) 2.273 0.646 0.646 weight 1.000 ! spec=NOE_200_800, no=114, id=78, vol=8.412764e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name   HA) 2.511 0.788 0.788 weight 1.000 ! spec=NOE_200_800, no=115, id=79, vol=4.626428e+06
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name   HA) 2.903 1.054 1.054 weight 1.000 ! spec=NOE_200_800, no=116, id=80, vol=1.938332e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name   HA) 2.540 0.806 0.806 weight 1.000 ! spec=NOE_200_800, no=118, id=82, vol=4.321161e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name  HG1) 3.305 1.365 1.365 weight 1.000 ! spec=NOE_200_800, no=121, id=83, vol=8.909110e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    3 and name   HA) 3.173 1.258 1.258 weight 1.000 ! spec=NOE_200_800, no=126, id=87, vol=1.137254e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    7 and name   HN) 2.387 0.712 0.712 weight 1.000 ! spec=NOE_200_800, no=127, id=88, vol=6.281671e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name   HN) 2.392 0.715 0.715 weight 1.000 ! spec=NOE_200_800, no=128, id=89, vol=6.197260e+06
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   33 and name   HA) 2.925 1.069 1.069 weight 1.000 ! spec=NOE_200_800, no=131, id=90, vol=1.854166e+06
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name   HA) 2.547 0.811 0.811 weight 1.000 ! spec=NOE_200_800, no=132, id=91, vol=4.253474e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name  HG1) 2.598 0.844 0.844 weight 1.000 ! spec=NOE_200_800, no=136, id=92, vol=3.774170e+06
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    5 and name   HA) 3.073 1.181 1.181 weight 1.000 ! spec=NOE_200_800, no=137, id=93, vol=1.377674e+06
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    4 and name   HA) 2.828 1.000 1.000 weight 1.000 ! spec=NOE_200_800, no=138, id=94, vol=2.267939e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name  HB2) 2.421 0.733 0.733 weight 1.000 ! spec=NOE_200_800, no=152, id=107, vol=5.766073e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name   HA) 2.615 0.855 0.855 weight 1.000 ! spec=NOE_200_800, no=154, id=109, vol=3.629075e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    9 and name   HN) 2.586 0.836 0.836 weight 1.000 ! spec=NOE_200_800, no=156, id=110, vol=3.882216e+06
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name  HB1) 2.370 0.702 0.702 weight 1.000 ! spec=NOE_200_800, no=161, id=113, vol=6.543030e+06
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name  HB2) 2.364 0.699 0.699 weight 1.000 ! spec=NOE_200_800, no=164, id=115, vol=6.649775e+06
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name  HB1) 2.439 0.743 0.743 weight 1.000 ! spec=NOE_200_800, no=165, id=116, vol=5.517052e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    9 and name  HB2) 2.913 1.061 1.061 weight 1.000 ! spec=NOE_200_800, no=166, id=117, vol=1.898526e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    9 and name  HB1) 2.550 0.813 0.813 weight 1.000 ! spec=NOE_200_800, no=167, id=118, vol=4.216056e+06
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name   HA) 2.612 0.853 0.853 weight 1.000 ! spec=NOE_200_800, no=168, id=119, vol=3.655059e+06
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    6 and name   HA) 2.886 1.041 1.041 weight 1.000 ! spec=NOE_200_800, no=169, id=120, vol=2.009934e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    9 and name   HA) 3.079 1.185 1.185 weight 1.000 ! spec=NOE_200_800, no=170, id=121, vol=1.360848e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   10 and name  HB2) 2.796 0.977 0.977 weight 1.000 ! spec=NOE_200_800, no=172, id=123, vol=2.429734e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name  HB2) 2.558 0.818 0.818 weight 1.000 ! spec=NOE_200_800, no=173, id=124, vol=4.141406e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name  HB1) 2.406 0.724 0.724 weight 1.000 ! spec=NOE_200_800, no=174, id=125, vol=5.983375e+06
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   11 and name  HB1) 2.873 1.032 1.032 weight 1.000 ! spec=NOE_200_800, no=177, id=127, vol=2.062022e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name   HA) 2.541 0.807 0.807 weight 1.000 ! spec=NOE_200_800, no=178, id=128, vol=4.307270e+06
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name  HG2) 2.310 0.667 0.667 weight 1.000 ! spec=NOE_200_800, no=181, id=130, vol=7.631089e+06
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name  HB1) 2.598 0.844 0.844 weight 1.000 ! spec=NOE_200_800, no=184, id=132, vol=3.771528e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name  HB2) 3.069 1.177 1.177 weight 1.000 ! spec=NOE_200_800, no=187, id=135, vol=1.388914e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name  HB2) 2.676 0.895 0.895 weight 1.000 ! spec=NOE_200_800, no=189, id=137, vol=3.158695e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name  HB1) 2.419 0.731 0.731 weight 1.000 ! spec=NOE_200_800, no=190, id=138, vol=5.798653e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name   HA) 2.531 0.800 0.800 weight 1.000 ! spec=NOE_200_800, no=191, id=139, vol=4.419818e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name   HA) 3.056 1.167 1.167 weight 1.000 ! spec=NOE_200_800, no=192, id=140, vol=1.424627e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   10 and name   HA) 2.785 0.969 0.969 weight 1.000 ! spec=NOE_200_800, no=193, id=141, vol=2.488622e+06
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name   HA) 2.571 0.827 0.827 weight 1.000 ! spec=NOE_200_800, no=195, id=143, vol=4.014518e+06
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name  HB1) 2.656 0.882 0.882 weight 1.000 ! spec=NOE_200_800, no=196, id=144, vol=3.302468e+06
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   13 and name   HN) 2.495 0.778 0.778 weight 1.000 ! spec=NOE_200_800, no=198, id=145, vol=4.809058e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   12 and name   HN) 2.654 0.881 0.881 weight 1.000 ! spec=NOE_200_800, no=199, id=146, vol=3.320182e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   14 and name   HN) 2.637 0.869 0.869 weight 1.000 ! spec=NOE_200_800, no=201, id=148, vol=3.451994e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name  HB1) 3.066 1.175 1.175 weight 1.000 ! spec=NOE_200_800, no=202, id=149, vol=1.395740e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name  HB1) 2.591 0.839 0.839 weight 1.000 ! spec=NOE_200_800, no=204, id=151, vol=3.839928e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name   HA) 2.792 0.975 0.975 weight 1.000 ! spec=NOE_200_800, no=205, id=152, vol=2.448324e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   12 and name   HA) 2.692 0.906 0.906 weight 1.000 ! spec=NOE_200_800, no=206, id=153, vol=3.052390e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name   HA) 2.913 1.060 1.060 weight 1.000 ! spec=NOE_200_800, no=209, id=155, vol=1.900582e+06
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   14 and name   HA) 3.166 1.253 1.253 weight 1.000 ! spec=NOE_200_800, no=210, id=156, vol=1.151936e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name   HA) 2.423 0.734 0.734 weight 1.000 ! spec=NOE_200_800, no=211, id=157, vol=5.740734e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name   HB) 2.214 0.612 0.612 weight 1.000 ! spec=NOE_200_800, no=214, id=160, vol=9.864728e+06
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name  HB1) 3.156 1.245 1.245 weight 1.000 ! spec=NOE_200_800, no=215, id=161, vol=1.174264e+06
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name  HB2) 3.193 1.274 1.274 weight 1.000 ! spec=NOE_200_800, no=216, id=162, vol=1.094876e+06
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name   HA) 2.163 0.585 0.585 weight 1.000 ! spec=NOE_200_800, no=221, id=164, vol=1.132401e+07
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name  HB2) 2.723 0.927 0.927 weight 1.000 ! spec=NOE_200_800, no=223, id=165, vol=2.848812e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name  HB1) 2.415 0.729 0.729 weight 1.000 ! spec=NOE_200_800, no=225, id=166, vol=5.849989e+06
assign (segid "   A" and resid   16 and name HD21) (segid "   A" and resid   16 and name  HB2) 2.753 0.947 0.947 weight 1.000 ! spec=NOE_200_800, no=227, id=168, vol=2.665634e+06
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name   HA) 2.598 0.844 0.844 weight 1.000 ! spec=NOE_200_800, no=228, id=169, vol=3.773239e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name   HA) 2.880 1.037 1.037 weight 1.000 ! spec=NOE_200_800, no=229, id=170, vol=2.034330e+06
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   25 and name   HN) 2.661 0.885 0.885 weight 1.000 ! spec=NOE_200_800, no=234, id=171, vol=3.267118e+06
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   26 and name   HN) 2.431 0.739 0.739 weight 1.000 ! spec=NOE_200_800, no=236, id=172, vol=5.622634e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name  HB2) 2.747 0.943 0.943 weight 1.000 ! spec=NOE_200_800, no=237, id=173, vol=2.701026e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   29 and name  HD1) 2.473 0.764 0.764 weight 1.000 ! spec=NOE_200_800, no=238, id=174, vol=5.076264e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name  HB1) 2.597 0.843 0.843 weight 1.000 ! spec=NOE_200_800, no=239, id=175, vol=3.780392e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   27 and name  HB2) 3.092 1.195 1.195 weight 1.000 ! spec=NOE_200_800, no=240, id=176, vol=1.327186e+06
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   27 and name  HB2) 2.703 0.913 0.913 weight 1.000 ! spec=NOE_200_800, no=241, id=177, vol=2.974893e+06
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   26 and name  HE3) 2.895 1.047 1.047 weight 1.000 ! spec=NOE_200_800, no=242, id=178, vol=1.972708e+06
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   26 and name  HE1)
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   26 and name  HE2)
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   26 and name  HB1) 2.868 1.028 1.028 weight 1.000 ! spec=NOE_200_800, no=243, id=179, vol=2.085908e+06
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   27 and name  HB1) 2.943 1.083 1.083 weight 1.000 ! spec=NOE_200_800, no=244, id=180, vol=1.784550e+06
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   27 and name   HA) 2.813 0.989 0.989 weight 1.000 ! spec=NOE_200_800, no=245, id=181, vol=2.342390e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   27 and name   HA) 3.047 1.160 1.160 weight 1.000 ! spec=NOE_200_800, no=246, id=182, vol=1.450697e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name   HA) 2.519 0.793 0.793 weight 1.000 ! spec=NOE_200_800, no=247, id=183, vol=4.545240e+06
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name   HA) 2.598 0.844 0.844 weight 1.000 ! spec=NOE_200_800, no=255, id=187, vol=3.773228e+06
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   23 and name   HA) 2.901 1.052 1.052 weight 1.000 ! spec=NOE_200_800, no=256, id=188, vol=1.948210e+06
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name   HA) 3.049 1.162 1.162 weight 1.000 ! spec=NOE_200_800, no=259, id=191, vol=1.445188e+06
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   16 and name   HA) 3.344 1.398 1.398 weight 1.000 ! spec=NOE_200_800, no=260, id=192, vol=8.304535e+05
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name  HG1) 2.709 0.918 0.918 weight 1.000 ! spec=NOE_200_800, no=264, id=193, vol=2.933090e+06
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name  HB1) 2.199 0.604 0.604 weight 1.000 ! spec=NOE_200_800, no=265, id=194, vol=1.026516e+07
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name   HA) 2.155 0.581 0.581 weight 1.000 ! spec=NOE_200_800, no=266, id=195, vol=1.158425e+07
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name  HB1) 3.045 1.159 1.159 weight 1.000 ! spec=NOE_200_800, no=267, id=196, vol=1.454954e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   29 and name  HD2) 2.763 0.954 0.954 weight 1.000 ! spec=NOE_200_800, no=268, id=197, vol=2.607086e+06
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   29 and name   HA) 2.870 1.029 1.029 weight 1.000 ! spec=NOE_200_800, no=269, id=198, vol=2.077438e+06
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name   HA) 2.419 0.732 0.732 weight 1.000 ! spec=NOE_200_800, no=274, id=199, vol=5.787823e+06
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    5 and name   HN) 2.550 0.813 0.813 weight 1.000 ! spec=NOE_200_800, no=296, id=218, vol=4.218072e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name   HA) 2.701 0.912 0.912 weight 1.000 ! spec=NOE_200_800, no=310, id=227, vol=2.989600e+06
assign (segid "   A" and resid    7 and name  HG1) (segid "   A" and resid    7 and name  HG2) 2.125 0.564 0.564 weight 1.000 ! spec=NOE_200_800, no=331, id=235, vol=1.261408e+07
assign (segid "   A" and resid    7 and name  HE1) (segid "   A" and resid    7 and name  HD2) 2.438 0.743 0.743 weight 1.000 ! spec=NOE_200_800, no=333, id=237, vol=5.524508e+06
assign (segid "   A" and resid   30 and name   HG) (segid "   A" and resid   30 and name  HB2) 2.521 0.795 0.795 weight 1.000 ! spec=NOE_200_800, no=336, id=240, vol=4.518892e+06
assign (segid "   A" and resid   30 and name   HG) (segid "   A" and resid   30 and name  HB1) 2.280 0.650 0.650 weight 1.000 ! spec=NOE_200_800, no=339, id=243, vol=8.258648e+06
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name  HB1) 2.845 1.012 1.012 weight 1.000 ! spec=NOE_200_800, no=351, id=251, vol=2.188268e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name  HB1) 3.272 1.338 1.338 weight 1.000 ! spec=NOE_200_800, no=376, id=269, vol=9.455175e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name  HG2) 3.190 1.272 1.272 weight 1.000 ! spec=NOE_200_800, no=377, id=270, vol=1.100918e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid    8 and name   HA) 2.878 1.035 1.035 weight 1.000 ! spec=NOE_200_800, no=379, id=272, vol=2.043936e+06
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    5 and name   HA) 3.066 1.175 1.175 weight 1.000 ! spec=NOE_200_800, no=380, id=273, vol=1.397986e+06
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    8 and name   HN) 2.460 0.756 0.756 weight 1.000 ! spec=NOE_200_800, no=381, id=274, vol=5.239509e+06
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name   HN) 2.450 0.750 0.750 weight 1.000 ! spec=NOE_200_800, no=407, id=294, vol=5.365640e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    7 and name   HA) 3.091 1.194 1.194 weight 1.000 ! spec=NOE_200_800, no=409, id=296, vol=1.331126e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name  HB1) 2.687 0.902 0.902 weight 1.000 ! spec=NOE_200_800, no=417, id=304, vol=3.084062e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   11 and name   HN) 2.611 0.852 0.852 weight 1.000 ! spec=NOE_200_800, no=421, id=308, vol=3.664792e+06
assign (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid    9 and name  HB1) 2.848 1.014 1.014 weight 1.000 ! spec=NOE_200_800, no=432, id=319, vol=2.175840e+06
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid    9 and name  HB1)
assign (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   27 and name  HB2) 3.352 1.404 1.404 weight 1.000 ! spec=NOE_200_800, no=434, id=321, vol=8.188005e+05
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   27 and name  HB2)
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name  HG1) 3.196 1.276 1.276 weight 1.000 ! spec=NOE_200_800, no=437, id=324, vol=1.089936e+06
assign (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid   11 and name  HG1) 2.728 0.930 0.930 weight 1.000 ! spec=NOE_200_800, no=456, id=331, vol=2.814446e+06
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   11 and name   HA) 3.199 1.279 1.279 weight 1.000 ! spec=NOE_200_800, no=470, id=335, vol=1.083020e+06
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name  HG1) 2.713 0.920 0.920 weight 1.000 ! spec=NOE_200_800, no=474, id=339, vol=2.910257e+06
assign (segid "   A" and resid   12 and name  HG1) (segid "   A" and resid   12 and name   HA) 2.883 1.039 1.039 weight 1.000 ! spec=NOE_200_800, no=483, id=345, vol=2.022564e+06
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   12 and name  HB2) 2.909 1.058 1.058 weight 1.000 ! spec=NOE_200_800, no=487, id=348, vol=1.914534e+06
assign (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid   24 and name  HB2) 2.999 1.124 1.124 weight 1.000 ! spec=NOE_200_800, no=491, id=352, vol=1.595430e+06
    or (segid "   A" and resid   20 and name  HD2) (segid "   A" and resid   24 and name  HB2)
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name  HD1) 2.967 1.101 1.101 weight 1.000 ! spec=NOE_200_800, no=510, id=370, vol=1.700135e+06
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name  HD2)
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HD1) 2.963 1.097 1.097 weight 1.000 ! spec=NOE_200_800, no=511, id=371, vol=1.715983e+06
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HD2)
assign (segid "   A" and resid   21 and name  HB1) (segid "   A" and resid   21 and name   HA) 2.233 0.623 0.623 weight 1.000 ! spec=NOE_200_800, no=519, id=378, vol=9.372040e+06
assign (segid "   A" and resid   21 and name  HB1) (segid "   A" and resid   21 and name  HB2) 1.674 0.350 0.350 weight 1.000 ! spec=NOE_200_800, no=522, id=381, vol=5.279400e+07
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name   HN) 2.526 0.797 0.797 weight 1.000 ! spec=NOE_200_800, no=525, id=383, vol=4.471777e+06
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HG1) 3.249 1.320 1.320 weight 1.000 ! spec=NOE_200_800, no=530, id=385, vol=9.859290e+05
assign (segid "   A" and resid   22 and name  HG1) (segid "   A" and resid   22 and name  HG2) 1.773 0.393 0.393 weight 1.000 ! spec=NOE_200_800, no=542, id=396, vol=3.734762e+07
assign (segid "   A" and resid   20 and name   HA) (segid "   A" and resid   24 and name   HN) 3.223 1.298 1.298 weight 1.000 ! spec=NOE_200_800, no=570, id=421, vol=1.035372e+06
assign (segid "   A" and resid   24 and name  HD2) (segid "   A" and resid   10 and name  HE1) 2.771 0.960 0.960 weight 1.000 ! spec=NOE_200_800, no=573, id=423, vol=2.562386e+06
    or (segid "   A" and resid   24 and name  HD2) (segid "   A" and resid   10 and name  HE2)
    or (segid "   A" and resid   24 and name  HD1) (segid "   A" and resid   10 and name  HE1)
    or (segid "   A" and resid   24 and name  HD1) (segid "   A" and resid   10 and name  HE2)
assign (segid "   A" and resid   16 and name HD22) (segid "   A" and resid   16 and name  HB2) 3.055 1.167 1.167 weight 1.000 ! spec=NOE_200_800, no=584, id=428, vol=1.427963e+06
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name  HD2) 3.074 1.181 1.181 weight 1.000 ! spec=NOE_200_800, no=586, id=430, vol=1.376126e+06
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name  HD1)
assign (segid "   A" and resid   26 and name  HG2) (segid "   A" and resid   26 and name  HG1) 1.603 0.321 0.321 weight 1.000 ! spec=NOE_200_800, no=596, id=437, vol=6.845329e+07
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name   HA) 2.607 0.850 0.850 weight 1.000 ! spec=NOE_200_800, no=605, id=442, vol=3.693426e+06
assign (segid "   A" and resid   25 and name  HG2) (segid "   A" and resid   25 and name   HN) 3.105 1.205 1.205 weight 1.000 ! spec=NOE_200_800, no=607, id=443, vol=1.293935e+06
assign (segid "   A" and resid   26 and name   HA) (segid "   A" and resid   26 and name  HG1) 3.006 1.129 1.129 weight 1.000 ! spec=NOE_200_800, no=618, id=453, vol=1.573439e+06
assign (segid "   A" and resid   26 and name   HA) (segid "   A" and resid   26 and name  HG2) 3.068 1.177 1.177 weight 1.000 ! spec=NOE_200_800, no=619, id=454, vol=1.391851e+06
assign (segid "   A" and resid   26 and name  HG2) (segid "   A" and resid   26 and name  HE3) 2.742 0.940 0.940 weight 1.000 ! spec=NOE_200_800, no=634, id=462, vol=2.730136e+06
    or (segid "   A" and resid   26 and name  HG2) (segid "   A" and resid   26 and name  HE1)
    or (segid "   A" and resid   26 and name  HG2) (segid "   A" and resid   26 and name  HE2)
assign (segid "   A" and resid   26 and name  HG1) (segid "   A" and resid   26 and name  HE3) 3.043 1.158 1.158 weight 1.000 ! spec=NOE_200_800, no=639, id=464, vol=1.460873e+06
    or (segid "   A" and resid   26 and name  HG1) (segid "   A" and resid   26 and name  HE1)
    or (segid "   A" and resid   26 and name  HG1) (segid "   A" and resid   26 and name  HE2)
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   26 and name   HN) 3.155 1.244 1.244 weight 1.000 ! spec=NOE_200_800, no=640, id=465, vol=1.177504e+06
assign (segid "   A" and resid   27 and name  HB1) (segid "   A" and resid   27 and name   HA) 2.843 1.010 1.010 weight 1.000 ! spec=NOE_200_800, no=653, id=471, vol=2.199418e+06
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   28 and name   HN) 2.381 0.709 0.709 weight 1.000 ! spec=NOE_200_800, no=657, id=473, vol=6.366302e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   24 and name   HA) 2.943 1.082 1.082 weight 1.000 ! spec=NOE_200_800, no=659, id=475, vol=1.787920e+06
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name   HN) 2.440 0.744 0.744 weight 1.000 ! spec=NOE_200_800, no=704, id=506, vol=5.496970e+06
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name HD22) 3.017 1.138 1.138 weight 1.000 ! spec=NOE_200_800, no=716, id=517, vol=1.537952e+06
    or (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name HD21)
    or (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name HD23)
assign (segid "   A" and resid   30 and name HD11) (segid "   A" and resid   30 and name   HN) 3.039 1.155 1.155 weight 1.000 ! spec=NOE_200_800, no=717, id=518, vol=1.472558e+06
    or (segid "   A" and resid   30 and name HD13) (segid "   A" and resid   30 and name   HN)
    or (segid "   A" and resid   30 and name HD12) (segid "   A" and resid   30 and name   HN)
assign (segid "   A" and resid   30 and name   HG) (segid "   A" and resid   30 and name HD22) 2.205 0.608 0.608 weight 1.000 ! spec=NOE_200_800, no=731, id=531, vol=1.008843e+07
    or (segid "   A" and resid   30 and name   HG) (segid "   A" and resid   30 and name HD21)
    or (segid "   A" and resid   30 and name   HG) (segid "   A" and resid   30 and name HD23)
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name  HB2) 2.944 1.083 1.083 weight 1.000 ! spec=NOE_200_800, no=748, id=543, vol=1.783518e+06
assign (segid "   A" and resid   31 and name  HG2) (segid "   A" and resid   31 and name  HG1) 1.855 0.430 0.430 weight 1.000 ! spec=NOE_200_800, no=757, id=551, vol=2.849696e+07
assign (segid "   A" and resid   31 and name  HG1) (segid "   A" and resid   31 and name  HB2) 2.244 0.629 0.629 weight 1.000 ! spec=NOE_200_800, no=759, id=553, vol=9.087291e+06
assign (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid   31 and name  HB1) 1.903 0.453 0.453 weight 1.000 ! spec=NOE_200_800, no=761, id=555, vol=2.439857e+07
assign (segid "   A" and resid   31 and name  HG2) (segid "   A" and resid   31 and name  HB2) 2.515 0.791 0.791 weight 1.000 ! spec=NOE_200_800, no=763, id=557, vol=4.583175e+06
assign (segid "   A" and resid   31 and name  HB1) (segid "   A" and resid   31 and name  HG1) 2.631 0.866 0.866 weight 1.000 ! spec=NOE_200_800, no=765, id=559, vol=3.494902e+06
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   22 and name   HA) 2.853 1.017 1.017 weight 1.000 ! spec=NOE_200_800, no=794, id=580, vol=2.152506e+06
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   22 and name  HG2) 3.183 1.267 1.267 weight 1.000 ! spec=NOE_200_800, no=795, id=581, vol=1.115192e+06
assign (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   14 and name   HA) 2.367 0.700 0.700 weight 1.000 ! spec=NOE_200_800, no=797, id=582, vol=6.594186e+06
assign (segid "   A" and resid   15 and name HG11) (segid "   A" and resid   15 and name HG22) 1.913 0.457 0.457 weight 1.000 ! spec=NOE_200_800, no=809, id=592, vol=2.369426e+07
    or (segid "   A" and resid   15 and name HG11) (segid "   A" and resid   15 and name HG21)
    or (segid "   A" and resid   15 and name HG11) (segid "   A" and resid   15 and name HG23)
    or (segid "   A" and resid   15 and name HG13) (segid "   A" and resid   15 and name HG22)
    or (segid "   A" and resid   15 and name HG13) (segid "   A" and resid   15 and name HG21)
    or (segid "   A" and resid   15 and name HG13) (segid "   A" and resid   15 and name HG23)
    or (segid "   A" and resid   15 and name HG12) (segid "   A" and resid   15 and name HG22)
    or (segid "   A" and resid   15 and name HG12) (segid "   A" and resid   15 and name HG21)
    or (segid "   A" and resid   15 and name HG12) (segid "   A" and resid   15 and name HG23)
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name   HN) 2.699 0.911 0.911 weight 1.000 ! spec=NOE_200_800, no=813, id=596, vol=3.000701e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name HG22) 2.198 0.604 0.604 weight 1.000 ! spec=NOE_200_800, no=817, id=600, vol=1.030172e+07
    or (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name HG21)
    or (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name HG23)
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   16 and name   HN) 2.628 0.863 0.863 weight 1.000 ! spec=NOE_200_800, no=835, id=610, vol=3.520461e+06
assign (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   17 and name  HD2) 2.277 0.648 0.648 weight 1.000 ! spec=NOE_200_800, no=855, id=616, vol=8.329478e+06
assign (segid "   A" and resid   17 and name  HD2) (segid "   A" and resid   17 and name  HD1) 1.888 0.446 0.446 weight 1.000 ! spec=NOE_200_800, no=859, id=620, vol=2.561715e+07
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name   HN) 2.840 1.008 1.008 weight 1.000 ! spec=NOE_200_800, no=863, id=624, vol=2.212708e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name   HA) 3.181 1.265 1.265 weight 1.000 ! spec=NOE_200_800, no=865, id=626, vol=1.120012e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name HG11) 2.549 0.812 0.812 weight 1.000 ! spec=NOE_200_800, no=870, id=629, vol=4.229604e+06
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name HG13)
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name HG12)
assign (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   18 and name HG22) 2.325 0.676 0.676 weight 1.000 ! spec=NOE_200_800, no=872, id=631, vol=7.344322e+06
    or (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   18 and name HG21)
    or (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   18 and name HG23)
assign (segid "   A" and resid    2 and name  HB2) (segid "   A" and resid    2 and name   HA) 2.530 0.800 0.800 weight 1.000 ! spec=NOE_200_800, no=878, id=636, vol=4.419914e+06
assign (segid "   A" and resid    2 and name  HB1) (segid "   A" and resid    2 and name   HA) 2.692 0.906 0.906 weight 1.000 ! spec=NOE_200_800, no=879, id=637, vol=3.048078e+06
assign (segid "   A" and resid   19 and name  HD2) (segid "   A" and resid   18 and name HG22) 2.920 1.066 1.066 weight 1.000 ! spec=NOE_200_800, no=906, id=658, vol=1.871583e+06
    or (segid "   A" and resid   19 and name  HD2) (segid "   A" and resid   18 and name HG21)
    or (segid "   A" and resid   19 and name  HD2) (segid "   A" and resid   18 and name HG23)
assign (segid "   A" and resid    7 and name  HB2) (segid "   A" and resid    4 and name   HA) 2.949 1.087 1.087 weight 1.000 ! spec=NOE_200_800, no=932, id=671, vol=1.765792e+06
assign (segid "   A" and resid    2 and name  HB1) (segid "   A" and resid    5 and name  HB1) 3.207 1.286 1.286 weight 1.000 ! spec=NOE_200_800, no=933, id=672, vol=1.065802e+06
assign (segid "   A" and resid   26 and name   HA) (segid "   A" and resid   29 and name  HD2) 3.328 1.385 1.385 weight 1.000 ! spec=NOE_200_800, no=935, id=674, vol=8.537950e+05
assign (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    8 and name  HB2) 2.856 1.019 1.019 weight 1.000 ! spec=NOE_200_800, no=939, id=678, vol=2.140630e+06
assign (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid    6 and name  HB3) 2.809 0.986 0.986 weight 1.000 ! spec=NOE_200_800, no=941, id=680, vol=2.364598e+06
    or (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid    6 and name  HB1)
    or (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid    6 and name  HB2)
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name   HA) 2.743 0.941 0.941 weight 1.000 ! spec=NOE_200_800, no=942, id=681, vol=2.722139e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name   HA) 2.869 1.029 1.029 weight 1.000 ! spec=NOE_200_800, no=943, id=682, vol=2.082237e+06
assign (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   29 and name  HD1) 2.861 1.023 1.023 weight 1.000 ! spec=NOE_200_800, no=958, id=691, vol=2.115450e+06
assign (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid    8 and name  HB1) 1.855 0.430 0.430 weight 1.000 ! spec=NOE_200_800, no=965, id=696, vol=2.848537e+07
assign (segid "   A" and resid   12 and name HE22) (segid "   A" and resid   12 and name  HB2) 2.790 0.973 0.973 weight 1.000 ! spec=NOE_200_800, no=975, id=700, vol=2.458997e+06
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name  HD2) 3.061 1.171 1.171 weight 1.000 ! spec=NOE_200_800, no=976, id=701, vol=1.410307e+06
    or (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name  HD1)
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name  HD2) 2.991 1.118 1.118 weight 1.000 ! spec=NOE_200_800, no=977, id=702, vol=1.620112e+06
    or (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name  HD1)
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name  HD1) 2.576 0.829 0.829 weight 1.000 ! spec=NOE_200_800, no=993, id=715, vol=3.973578e+06
    or (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name  HD2)
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   10 and name  HB1) 2.977 1.108 1.108 weight 1.000 ! spec=NOE_200_800, no=994, id=716, vol=1.667296e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name  HB2) 3.271 1.337 1.337 weight 1.000 ! spec=NOE_200_800, no=1012, id=730, vol=9.474920e+05
assign (segid "   A" and resid   19 and name  HD1) (segid "   A" and resid   18 and name HG11) 3.176 1.261 1.261 weight 1.000 ! spec=NOE_200_800, no=1048, id=755, vol=1.130956e+06
    or (segid "   A" and resid   19 and name  HD1) (segid "   A" and resid   18 and name HG13)
    or (segid "   A" and resid   19 and name  HD1) (segid "   A" and resid   18 and name HG12)
assign (segid "   A" and resid   18 and name HG22) (segid "   A" and resid   22 and name  HG2) 3.057 1.168 1.168 weight 1.000 ! spec=NOE_200_800, no=1061, id=768, vol=1.422410e+06
    or (segid "   A" and resid   18 and name HG21) (segid "   A" and resid   22 and name  HG2)
    or (segid "   A" and resid   18 and name HG23) (segid "   A" and resid   22 and name  HG2)
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   18 and name HG22) 2.792 0.974 0.974 weight 1.000 ! spec=NOE_200_800, no=1066, id=772, vol=2.450244e+06
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   18 and name HG21)
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   18 and name HG23)
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   24 and name   HA) 3.102 1.203 1.203 weight 1.000 ! spec=NOE_200_800, no=1067, id=773, vol=1.302532e+06
assign (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   23 and name   HA) 3.134 1.227 1.227 weight 1.000 ! spec=NOE_200_800, no=1071, id=777, vol=1.225933e+06
assign (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   26 and name  HE3) 2.886 1.041 1.041 weight 1.000 ! spec=NOE_200_800, no=1072, id=778, vol=2.007487e+06
    or (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   26 and name  HE1)
    or (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   26 and name  HE2)
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   25 and name   HN) 3.032 1.149 1.149 weight 1.000 ! spec=NOE_200_800, no=1078, id=781, vol=1.493278e+06
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   29 and name  HD2) 3.061 1.171 1.171 weight 1.000 ! spec=NOE_200_800, no=1083, id=786, vol=1.411919e+06
assign (segid "   A" and resid   16 and name HD21) (segid "   A" and resid   16 and name  HB1) 2.740 0.939 0.939 weight 1.000 ! spec=NOE_200_800, no=1084, id=787, vol=2.741630e+06
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   28 and name   HA) 3.074 1.181 1.181 weight 1.000 ! spec=NOE_200_800, no=1091, id=791, vol=1.375394e+06
assign (segid "   A" and resid    6 and name  HB3) (segid "   A" and resid   31 and name   HN) 3.279 1.344 1.344 weight 1.000 ! spec=NOE_200_800, no=1093, id=793, vol=9.338940e+05
    or (segid "   A" and resid    6 and name  HB1) (segid "   A" and resid   31 and name   HN)
    or (segid "   A" and resid    6 and name  HB2) (segid "   A" and resid   31 and name   HN)
assign (segid "   A" and resid    6 and name  HB3) (segid "   A" and resid   31 and name  HB1) 2.985 1.114 1.114 weight 1.000 ! spec=NOE_200_800, no=1098, id=797, vol=1.641184e+06
    or (segid "   A" and resid    6 and name  HB1) (segid "   A" and resid   31 and name  HB1)
    or (segid "   A" and resid    6 and name  HB2) (segid "   A" and resid   31 and name  HB1)
assign (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid   30 and name HD22) 3.000 1.125 1.125 weight 1.000 ! spec=NOE_200_800, no=1100, id=799, vol=1.593255e+06
    or (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid   30 and name HD21)
    or (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid   30 and name HD23)
assign (segid "   A" and resid    5 and name HE21) (segid "   A" and resid    5 and name HE22) 1.580 0.312 0.312 weight 1.000 ! spec=NOE_200_800, no=1122, id=816, vol=7.467053e+07
assign (segid "   A" and resid   14 and name HD22) (segid "   A" and resid   14 and name HD21) 1.636 0.335 0.335 weight 1.000 ! spec=NOE_200_800, no=1123, id=817, vol=6.050285e+07
assign (segid "   A" and resid   16 and name HD21) (segid "   A" and resid   16 and name HD22) 1.631 0.333 0.333 weight 1.000 ! spec=NOE_200_800, no=1125, id=818, vol=6.165356e+07
assign (segid "   A" and resid   16 and name HD22) (segid "   A" and resid   12 and name  HB1) 3.195 1.276 1.276 weight 1.000 ! spec=NOE_200_800, no=1133, id=824, vol=1.090258e+06
assign (segid "   A" and resid   16 and name HD22) (segid "   A" and resid   16 and name  HB1) 3.104 1.205 1.205 weight 1.000 ! spec=NOE_200_800, no=1137, id=827, vol=1.296594e+06
assign (segid "   A" and resid    4 and name HE22) (segid "   A" and resid    4 and name HE21) 1.603 0.321 0.321 weight 1.000 ! spec=NOE_200_800, no=1141, id=829, vol=6.833947e+07
assign (segid "   A" and resid   25 and name HE21) (segid "   A" and resid   25 and name HE22) 1.583 0.313 0.313 weight 1.000 ! spec=NOE_200_800, no=1143, id=831, vol=7.374809e+07
assign (segid "   A" and resid   22 and name HE21) (segid "   A" and resid   22 and name HE22) 1.608 0.323 0.323 weight 1.000 ! spec=NOE_200_800, no=1144, id=832, vol=6.709750e+07
assign (segid "   A" and resid   22 and name HE21) (segid "   A" and resid   22 and name  HG1) 3.114 1.212 1.212 weight 1.000 ! spec=NOE_200_800, no=1145, id=833, vol=1.271682e+06
assign (segid "   A" and resid   12 and name HE22) (segid "   A" and resid   12 and name HE21) 1.686 0.355 0.355 weight 1.000 ! spec=NOE_200_800, no=1146, id=834, vol=5.054250e+07
assign (segid "   A" and resid   12 and name HE21) (segid "   A" and resid   15 and name HG22) 3.099 1.200 1.200 weight 1.000 ! spec=NOE_200_800, no=1150, id=835, vol=1.310486e+06
    or (segid "   A" and resid   12 and name HE21) (segid "   A" and resid   15 and name HG21)
    or (segid "   A" and resid   12 and name HE21) (segid "   A" and resid   15 and name HG23)
assign (segid "   A" and resid   12 and name HE22) (segid "   A" and resid   12 and name  HG1) 3.092 1.195 1.195 weight 1.000 ! spec=NOE_200_800, no=1152, id=836, vol=1.328056e+06
assign (segid "   A" and resid   15 and name HG11) (segid "   A" and resid   12 and name HE21) 3.327 1.384 1.384 weight 1.000 ! spec=NOE_200_800, no=1156, id=838, vol=8.550000e+05
    or (segid "   A" and resid   15 and name HG13) (segid "   A" and resid   12 and name HE21)
    or (segid "   A" and resid   15 and name HG12) (segid "   A" and resid   12 and name HE21)
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name  HB2) 2.696 0.908 0.908 weight 1.000 ! spec=NOE_200_800, no=1162, id=842, vol=3.024053e+06
assign (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid    8 and name   HN) 2.415 0.729 0.729 weight 1.000 ! spec=NOE_200_800, no=1164, id=844, vol=5.854852e+06
assign (segid "   A" and resid   12 and name  HB2) (segid "   A" and resid   12 and name   HN) 2.683 0.900 0.900 weight 1.000 ! spec=NOE_200_800, no=1166, id=845, vol=3.114063e+06

 assi 
   (( segid "   A" and resid 3    and name  HA  ))
   (( segid "   A" and resid 3    and name  HD2 ))
      4.170     0.834     0.834

 assi 
   (( segid "   A" and resid 3    and name  HD1 ))
   (( segid "   A" and resid 3    and name  HB2 ))
      4.218     0.844     0.844

 assi 
   (( segid "   A" and resid 19   and name  HA  ))
   (( segid "   A" and resid 19   and name  HD2 ))
      4.032     0.806     0.806

 assi 
   (  segid "   A" and resid 6    and name  HB# )
   (  segid "   A" and resid 10   and name  HD# )
      3.448     0.690     0.690

 assi 
   (( segid "   A" and resid 7    and name  HA  ))
   (( segid "   A" and resid 7    and name  HB2 ))
      3.152     0.630     0.630

 assi 
   (( segid "   A" and resid 7    and name  HA  ))
   (( segid "   A" and resid 7    and name  HB1 ))
      3.387     0.677     0.677

 assi 
   (( segid "   A" and resid 7    and name  HA  ))
   (( segid "   A" and resid 7    and name  HG1 ))
      3.728     0.746     0.746

 assi 
   (( segid "   A" and resid 7    and name  HA  ))
   (( segid "   A" and resid 7    and name  HG2 ))
      3.828     0.766     0.766

 assi 
   (( segid "   A" and resid 7    and name  HG1 ))
   (( segid "   A" and resid 7    and name  HE2 ))
      4.194     0.839     0.839

 assi 
   (( segid "   A" and resid 7    and name  HG2 ))
   (( segid "   A" and resid 7    and name  HE2 ))
      4.023     0.805     0.805

 assi 
   (( segid "   A" and resid 7    and name  HE2 ))
   (( segid "   A" and resid 7    and name  HD2 ))
      3.584     0.717     0.717

 assi 
   (( segid "   A" and resid 7    and name  HE2 ))
   (( segid "   A" and resid 7    and name  HD1 ))
      3.198     0.640     0.640

 assi 
   (( segid "   A" and resid 7    and name  HB1 ))
   (( segid "   A" and resid 7    and name  HD1 ))
      3.635     0.727     0.727
 or   
   (( segid "   A" and resid 7    and name  HB1 ))
   (( segid "   A" and resid 7    and name  HD2 ))

 assi 
   (( segid "   A" and resid 9    and name  HB2 ))
   (( segid "   A" and resid 9    and name  HB1 ))
      2.559     0.512     0.512

 assi 
   (( segid "   A" and resid 9    and name  HA  ))
   (( segid "   A" and resid 9    and name  HB1 ))
      3.409     0.682     0.682

 assi 
   (( segid "   A" and resid 9    and name  HA  ))
   (( segid "   A" and resid 9    and name  HB2 ))
      3.061     0.612     0.612

 assi 
   (( segid "   A" and resid 13   and name  HA  ))
   (( segid "   A" and resid 13   and name  HB2 ))
      3.253     0.651     0.651

 assi 
   (( segid "   A" and resid 8    and name  HB2 ))
   (( segid "   A" and resid 8    and name  HB1 ))
      2.433     0.487     0.487

 assi 
   (  segid "   A" and resid 8    and name  HD# )
   (  segid "   A" and resid 8    and name  HE# )
      2.390     0.478     0.478

 assi 
   (( segid "   A" and resid 10   and name  HA  ))
   (( segid "   A" and resid 10   and name  HB2 ))
      3.479     0.696     0.696

 assi 
   (  segid "   A" and resid 10   and name  HE# )
   (  segid "   A" and resid 10   and name  HD# )
      2.428     0.486     0.486

 assi 
   (  segid "   A" and resid 10   and name  HE# )
   (( segid "   A" and resid 10   and name  HB2 ))
      4.230     0.846     0.846

 assi 
   (  segid "   A" and resid 10   and name  HE# )
   (( segid "   A" and resid 10   and name  HB1 ))
      4.282     0.856     0.856

 assi 
   (  segid "   A" and resid 10   and name  HD# )
   (( segid "   A" and resid 9    and name  HB2 ))
      4.361     0.872     0.872

 assi 
   (  segid "   A" and resid 10   and name  HD# )
   (( segid "   A" and resid 27   and name  HB2 ))
      4.033     0.807     0.807

 assi 
   (  segid "   A" and resid 10   and name  HE# )
   (( segid "   A" and resid 27   and name  HB1 ))
      3.863     0.773     0.773

 assi 
   (  segid "   A" and resid 10   and name  HE# )
   (( segid "   A" and resid 24   and name  HB2 ))
      4.278     0.856     0.856

 assi 
   (  segid "   A" and resid 10   and name  HE# )
   (( segid "   A" and resid 27   and name  HB2 ))
      3.603     0.721     0.721

 assi 
   (  segid "   A" and resid 20   and name  HD# )
   (( segid "   A" and resid 21   and name  HA  ))
      3.586     0.717     0.717

 assi 
   (( segid "   A" and resid 20   and name  HB2 ))
   (( segid "   A" and resid 20   and name  HA  ))
      3.237     0.647     0.647

 assi 
   (( segid "   A" and resid 22   and name  HA  ))
   (( segid "   A" and resid 22   and name  HG2 ))
      3.380     0.676     0.676

 assi 
   (( segid "   A" and resid 22   and name  HA  ))
   (( segid "   A" and resid 22   and name  HB2 ))
      2.761     0.552     0.552
 or   
   (( segid "   A" and resid 22   and name  HA  ))
   (( segid "   A" and resid 22   and name  HB1 ))

 assi 
   (( segid "   A" and resid 3    and name  HB2 ))
   (( segid "   A" and resid 3    and name  HB1 ))
      2.631     0.526     0.526

 assi 
   (( segid "   A" and resid 22   and name  HG2 ))
   (( segid "   A" and resid 22   and name  HG1 ))
      2.325     0.465     0.465

 assi 
   (  segid "   A" and resid 24   and name  HD# )
   (( segid "   A" and resid 28   and name  HB2 ))
      4.204     0.841     0.841

 assi 
   (  segid "   A" and resid 24   and name  HD# )
   (( segid "   A" and resid 28   and name  HB1 ))
      3.931     0.786     0.786

 assi 
   (  segid "   A" and resid 24   and name  HE# )
   (( segid "   A" and resid 28   and name  HB1 ))
      3.852     0.770     0.770

 assi 
   (( segid "   A" and resid 24   and name  HB1 ))
   (  segid "   A" and resid 24   and name  HE# )
      4.221     0.844     0.844

 assi 
   (( segid "   A" and resid 24   and name  HB2 ))
   (  segid "   A" and resid 24   and name  HE# )
      4.378     0.876     0.876

 assi 
   (( segid "   A" and resid 29   and name  HD2 ))
   (( segid "   A" and resid 29   and name  HD1 ))
      2.475     0.495     0.495

 assi 
   (( segid "   A" and resid 25   and name  HA  ))
   (( segid "   A" and resid 25   and name  HG2 ))
      3.734     0.747     0.747

 assi 
   (( segid "   A" and resid 25   and name  HA  ))
   (( segid "   A" and resid 25   and name  HG1 ))
      4.078     0.816     0.816

 assi 
   (( segid "   A" and resid 26   and name  HB2 ))
   (  segid "   A" and resid 26   and name  HE# )
      3.302     0.660     0.660

 assi 
   (( segid "   A" and resid 27   and name  HB2 ))
   (( segid "   A" and resid 27   and name  HA  ))
      3.728     0.746     0.746

 assi 
   (( segid "   A" and resid 27   and name  HB2 ))
   (( segid "   A" and resid 27   and name  HB1 ))
      2.788     0.558     0.558

 assi 
   (( segid "   A" and resid 28   and name  HB2 ))
   (( segid "   A" and resid 28   and name  HB1 ))
      2.526     0.505     0.505

 assi 
   (( segid "   A" and resid 28   and name  HB2 ))
   (( segid "   A" and resid 28   and name  HA  ))
      2.783     0.557     0.557

 assi 
   (( segid "   A" and resid 28   and name  HB1 ))
   (( segid "   A" and resid 28   and name  HA  ))
      2.878     0.576     0.576

 assi 
   (( segid "   A" and resid 29   and name  HD2 ))
   (( segid "   A" and resid 29   and name  HG1 ))
      3.183     0.637     0.637

 assi 
   (( segid "   A" and resid 29   and name  HD1 ))
   (( segid "   A" and resid 29   and name  HG1 ))
      3.294     0.659     0.659

 assi 
   (( segid "   A" and resid 29   and name  HD1 ))
   (( segid "   A" and resid 29   and name  HB1 ))
      4.115     0.823     0.823

 assi 
   (( segid "   A" and resid 29   and name  HB1 ))
   (( segid "   A" and resid 29   and name  HG1 ))
      3.180     0.636     0.636

 assi 
   (( segid "   A" and resid 30   and name  HA  ))
   (  segid "   A" and resid 30   and name  HD1#)
      3.778     0.756     0.756

 assi 
   (( segid "   A" and resid 30   and name  HA  ))
   (  segid "   A" and resid 30   and name  HD2#)
      2.796     0.559     0.559

 assi 
   (( segid "   A" and resid 30   and name  HB1 ))
   (( segid "   A" and resid 30   and name  HA  ))
      3.484     0.697     0.697

 assi 
   (( segid "   A" and resid 30   and name  HB1 ))
   (( segid "   A" and resid 30   and name  HG  ))
      3.615     0.723     0.723

 assi 
   (( segid "   A" and resid 30   and name  HB1 ))
   (  segid "   A" and resid 30   and name  HD1#)
      3.120     0.624     0.624

 assi 
   (( segid "   A" and resid 30   and name  HB2 ))
   (  segid "   A" and resid 30   and name  HD1#)
      3.171     0.634     0.634

 assi 
   (( segid "   A" and resid 30   and name  HB2 ))
   (( segid "   A" and resid 30   and name  HB1 ))
      2.529     0.506     0.506

 assi 
   (( segid "   A" and resid 31   and name  HA  ))
   (( segid "   A" and resid 31   and name  HG2 ))
      3.385     0.677     0.677

 assi 
   (( segid "   A" and resid 31   and name  HA  ))
   (( segid "   A" and resid 31   and name  HB1 ))
      3.164     0.633     0.633

 assi 
   (( segid "   A" and resid 31   and name  HG1 ))
   (( segid "   A" and resid 31   and name  HB1 ))
      3.694     0.739     0.739

 assi 
   (( segid "   A" and resid 32   and name  HB1 ))
   (( segid "   A" and resid 32   and name  HA  ))
      3.588     0.718     0.718

 assi 
   (( segid "   A" and resid 32   and name  HB1 ))
   (( segid "   A" and resid 32   and name  HD2 ))
      4.216     0.843     0.843
 or   
   (( segid "   A" and resid 32   and name  HB1 ))
   (( segid "   A" and resid 32   and name  HD1 ))

 assi 
   (( segid "   A" and resid 32   and name  HA  ))
   (( segid "   A" and resid 32   and name  HD2 ))
      4.202     0.840     0.840
 or   
   (( segid "   A" and resid 32   and name  HA  ))
   (( segid "   A" and resid 32   and name  HD1 ))

 assi 
   (( segid "   A" and resid 33   and name  HB1 ))
   (( segid "   A" and resid 33   and name  HA  ))
      3.088     0.618     0.618
 or   
   (( segid "   A" and resid 33   and name  HB2 ))
   (( segid "   A" and resid 33   and name  HA  ))

 assi 
   (( segid "   A" and resid 14   and name  HA  ))
   (( segid "   A" and resid 14   and name  HB2 ))
      3.105     0.621     0.621

 assi 
   (( segid "   A" and resid 15   and name  HA  ))
   (  segid "   A" and resid 15   and name  HG1#)
      2.955     0.591     0.591

 assi 
   (( segid "   A" and resid 15   and name  HB  ))
   (  segid "   A" and resid 15   and name  HG1#)
      2.801     0.560     0.560

 assi 
   (( segid "   A" and resid 16   and name  HB2 ))
   (( segid "   A" and resid 16   and name  HB1 ))
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 assi 
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   (( segid "   A" and resid 17   and name  HA  ))
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 assi 
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   (( segid "   A" and resid 17   and name  HA  ))
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 assi 
   (( segid "   A" and resid 17   and name  HD2 ))
   (( segid "   A" and resid 17   and name  HA  ))
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 assi 
   (( segid "   A" and resid 17   and name  HB2 ))
   (( segid "   A" and resid 17   and name  HB1 ))
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 assi 
   (( segid "   A" and resid 17   and name  HB2 ))
   (( segid "   A" and resid 17   and name  HD2 ))
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 assi 
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   (  segid "   A" and resid 18   and name  HG1#)
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 assi 
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   (  segid "   A" and resid 18   and name  HG2#)
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 assi 
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   (( segid "   A" and resid 3    and name  HG2 ))
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 assi 
   (( segid "   A" and resid 3    and name  HD2 ))
   (( segid "   A" and resid 3    and name  HD1 ))
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 assi 
   (( segid "   A" and resid 3    and name  HA  ))
   (( segid "   A" and resid 3    and name  HB2 ))
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 assi 
   (( segid "   A" and resid 3    and name  HA  ))
   (( segid "   A" and resid 3    and name  HB1 ))
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 assi 
   (( segid "   A" and resid 3    and name  HD2 ))
   (( segid "   A" and resid 3    and name  HB1 ))
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 assi 
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   (( segid "   A" and resid 2    and name  HB2 ))
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 or   
   (( segid "   A" and resid 2    and name  HA  ))
   (( segid "   A" and resid 2    and name  HB1 ))

 assi 
   (( segid "   A" and resid 3    and name  HD1 ))
   (( segid "   A" and resid 2    and name  HA  ))
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 assi 
   (( segid "   A" and resid 3    and name  HD2 ))
   (( segid "   A" and resid 2    and name  HA  ))
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 assi 
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      4.280     0.856     0.856

 assi 
   (( segid "   A" and resid 19   and name  HB1 ))
   (( segid "   A" and resid 19   and name  HD1 ))
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 assi 
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 assi 
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 assi 
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 assi 
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   (( segid "   A" and resid 8    and name  HB1 ))
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 assi 
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 assi 
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 assi 
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 assi 
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 assi 
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   (( segid "   A" and resid 9    and name  HB1 ))
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 assi 
   (( segid "   A" and resid 6    and name  HA  ))
   (  segid "   A" and resid 30   and name  HD1#)
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 assi 
   (  segid "   A" and resid 6    and name  HB# )
   (( segid "   A" and resid 31   and name  HG2 ))
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 assi 
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   (( segid "   A" and resid 3    and name  HG2 ))
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 assi 
   (  segid "   A" and resid 6    and name  HB# )
   (( segid "   A" and resid 31   and name  HA  ))
      3.434     0.687     0.687

 assi 
   (  segid "   A" and resid 6    and name  HB# )
   (( segid "   A" and resid 31   and name  HG1 ))
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 assi 
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   (( segid "   A" and resid 16   and name  HB2 ))
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 assi 
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   (( segid "   A" and resid 10   and name  HA  ))
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 assi 
   (( segid "   A" and resid 13   and name  HB1 ))
   (( segid "   A" and resid 10   and name  HA  ))
      3.628     0.726     0.726

 assi 
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   (( segid "   A" and resid 10   and name  HA  ))
      4.234     0.847     0.847

 assi 
   (( segid "   A" and resid 12   and name  HA  ))
   (  segid "   A" and resid 15   and name  HG2#)
      3.042     0.608     0.608

 assi 
   (( segid "   A" and resid 12   and name  HA  ))
   (  segid "   A" and resid 15   and name  HG1#)
      3.677     0.735     0.735

 assi 
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   (  segid "   A" and resid 18   and name  HG2#)
      2.800     0.560     0.560
 or   
   (( segid "   A" and resid 22   and name  HB1 ))
   (  segid "   A" and resid 18   and name  HG2#)

 assi 
   (  segid "   A" and resid 26   and name  HE# )
   (  segid "   A" and resid 18   and name  HG2#)
      3.382     0.676     0.676

 assi 
   (( segid "   A" and resid 22   and name  HA  ))
   (( segid "   A" and resid 25   and name  HG2 ))
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 assi 
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   (  segid "   A" and resid 10   and name  HE# )
      3.210     0.642     0.642

 assi 
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   (  segid "   A" and resid 24   and name  HD# )
      2.910     0.582     0.582

 assi 
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   (( segid "   A" and resid 25   and name  HA  ))
      3.663     0.733     0.733

 assi 
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 assi 
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   (( segid "   A" and resid 24   and name  HA  ))
      3.175     0.635     0.635

 assi 
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   (  segid "   A" and resid 18   and name  HG1#)
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 assi 
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   (( segid "   A" and resid 3    and name  HG2 ))
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 assi 
   (( segid "   A" and resid 3    and name  HD1 ))
   (( segid "   A" and resid 3    and name  HG2 ))
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 assi 
   (  segid "   A" and resid 10   and name  HD# )
   (( segid "   A" and resid 10   and name  HA  ))
      2.933     0.587     0.587

 assi 
   (( segid "   A" and resid 24   and name  HA  ))
   (( segid "   A" and resid 27   and name  HN  ))
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 assi 
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   (( segid "   A" and resid 26   and name  HN  ))
      3.039     0.608     0.608

 assi 
   (( segid "   A" and resid 2    and name  HA  ))
   (( segid "   A" and resid 2    and name  HB1 ))
      3.319     0.664     0.664

 assi 
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   (( segid "   A" and resid 20   and name  HB2 ))
      2.901     0.580     0.580

 assi 
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   (( segid "   A" and resid 19   and name  HG2 ))
      3.584     0.717     0.717
 or   
   (( segid "   A" and resid 19   and name  HA  ))
   (( segid "   A" and resid 19   and name  HG1 ))

 assi 
   (( segid "   A" and resid 31   and name  HG2 ))
   (( segid "   A" and resid 31   and name  HN  ))
      3.968     0.794     0.794

 assi 
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   (( segid "   A" and resid 13   and name  HN  ))
      3.172     0.634     0.634

 assi 
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   (( segid "   A" and resid 9    and name  HN  ))
      3.923     0.785     0.785

 assi 
   (( segid "   A" and resid 13   and name  HB2 ))
   (( segid "   A" and resid 13   and name  HN  ))
      3.510     0.702     0.702

 assi 
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   (( segid "   A" and resid 4    and name  HN  ))
      3.691     0.738     0.738
 or   
   (( segid "   A" and resid 3    and name  HD2 ))
   (( segid "   A" and resid 4    and name  HN  ))

 assi 
   (( segid "   A" and resid 29   and name  HA  ))
   (( segid "   A" and resid 29   and name  HG2 ))
      3.485     0.697     0.697

 assi 
   (  segid "   A" and resid 20   and name  HD# )
   (( segid "   A" and resid 20   and name  HB1 ))
      2.942     0.588     0.588

 assi 
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   (( segid "   A" and resid 11   and name  HN  ))
      3.355     0.671     0.671

 assi 
   (  segid "   A" and resid 8    and name  HD# )
   (( segid "   A" and resid 8    and name  HB1 ))
      2.915     0.583     0.583

 assi 
   (( segid "   A" and resid 30   and name  HN  ))
   (( segid "   A" and resid 31   and name  HN  ))
      3.200     0.640     0.640

 assi 
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   (( segid "   A" and resid 10   and name  HN  ))
      3.175     0.635     0.635

 assi 
   (( segid "   A" and resid 5    and name  HN  ))
   (( segid "   A" and resid 4    and name  HN  ))
      3.345     0.669     0.669

 assi 
   (( segid "   A" and resid 7    and name  HG2 ))
   (( segid "   A" and resid 7    and name  HG1 ))
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 assi 
   (( segid "   A" and resid 10   and name  HB1 ))
   (( segid "   A" and resid 11   and name  HN  ))
      3.904     0.781     0.781

 assi 
   (( segid "   A" and resid 21   and name  HB1 ))
   (( segid "   A" and resid 21   and name  HN  ))
      3.402     0.680     0.680

 assi 
   (( segid "   A" and resid 21   and name  HA  ))
   (( segid "   A" and resid 21   and name  HN  ))
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 assi 
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   (  segid "   A" and resid 15   and name  HG2#)
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 assi 
   (  segid "   A" and resid 30   and name  HD2#)
   (( segid "   A" and resid 30   and name  HN  ))
      3.957     0.791     0.791

 assi 
   (( segid "   A" and resid 10   and name  HN  ))
   (( segid "   A" and resid 11   and name  HN  ))
      3.424     0.685     0.685

 assi 
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 or   
   (( segid "   A" and resid 5    and name  HG2 ))
   (( segid "   A" and resid 5    and name  HE22))

 assi 
   (  segid "   A" and resid 18   and name  HG1#)
   (( segid "   A" and resid 18   and name  HB  ))
      2.836     0.567     0.567

 assi 
   (( segid "   A" and resid 20   and name  HA  ))
   (( segid "   A" and resid 21   and name  HN  ))
      4.160     0.832     0.832

 assi 
   (  segid "   A" and resid 10   and name  HD# )
   (( segid "   A" and resid 10   and name  HB1 ))
      2.911     0.582     0.582

 assi 
   (( segid "   A" and resid 10   and name  HB1 ))
   (( segid "   A" and resid 10   and name  HN  ))
      3.524     0.705     0.705

 assi 
   (( segid "   A" and resid 10   and name  HB2 ))
   (( segid "   A" and resid 11   and name  HN  ))
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 assi 
   (( segid "   A" and resid 29   and name  HB1 ))
   (( segid "   A" and resid 29   and name  HA  ))
      2.936     0.587     0.587

 assi 
   (( segid "   A" and resid 30   and name  HG  ))
   (  segid "   A" and resid 30   and name  HD1#)
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 assi 
   (( segid "   A" and resid 30   and name  HG  ))
   (( segid "   A" and resid 30   and name  HN  ))
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 assi 
   (( segid "   A" and resid 25   and name  HA  ))
   (( segid "   A" and resid 25   and name  HN  ))
      3.420     0.684     0.684

 assi 
   (( segid "   A" and resid 30   and name  HG  ))
   (  segid "   A" and resid 30   and name  HD2#)
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 assi 
   (( segid "   A" and resid 29   and name  HA  ))
   (( segid "   A" and resid 29   and name  HG1 ))
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 assi 
   (( segid "   A" and resid 30   and name  HB1 ))
   (( segid "   A" and resid 30   and name  HN  ))
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 assi 
   (( segid "   A" and resid 8    and name  HB1 ))
   (( segid "   A" and resid 9    and name  HN  ))
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 assi 
   (( segid "   A" and resid 30   and name  HB2 ))
   (( segid "   A" and resid 30   and name  HA  ))
      3.068     0.614     0.614

 assi 
   (  segid "   A" and resid 24   and name  HD# )
   (( segid "   A" and resid 24   and name  HN  ))
      4.031     0.806     0.806

 assi 
   (( segid "   A" and resid 15   and name  HA  ))
   (( segid "   A" and resid 15   and name  HB  ))
      3.248     0.650     0.650

 assi 
   (( segid "   A" and resid 24   and name  HB1 ))
   (  segid "   A" and resid 24   and name  HD# )
      2.898     0.580     0.580

 assi 
   (( segid "   A" and resid 30   and name  HB1 ))
   (  segid "   A" and resid 30   and name  HD2#)
      3.616     0.723     0.723

 assi 
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 21   and name  HN  ))
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 assi 
   (( segid "   A" and resid 20   and name  HB2 ))
   (( segid "   A" and resid 20   and name  HN  ))
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 assi 
   (( segid "   A" and resid 22   and name  HA  ))
   (( segid "   A" and resid 25   and name  HN  ))
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 assi 
   (( segid "   A" and resid 10   and name  HA  ))
   (( segid "   A" and resid 13   and name  HN  ))
      3.652     0.730     0.730

 assi 
   (  segid "   A" and resid 20   and name  HD# )
   (( segid "   A" and resid 20   and name  HN  ))
      3.886     0.777     0.777

 assi 
   (( segid "   A" and resid 4    and name  HE21))
   (( segid "   A" and resid 4    and name  HE22))
      2.103     0.383     0.421

 assi 
   (( segid "   A" and resid 9    and name  HA  ))
   (( segid "   A" and resid 10   and name  HN  ))
      4.039     0.808     0.808

 assi 
   (( segid "   A" and resid 19   and name  HA  ))
   (( segid "   A" and resid 20   and name  HN  ))
      2.826     0.565     0.565

 assi 
   (( segid "   A" and resid 20   and name  HB1 ))
   (( segid "   A" and resid 20   and name  HA  ))
      3.069     0.614     0.614

 assi 
   (( segid "   A" and resid 30   and name  HA  ))
   (( segid "   A" and resid 30   and name  HG  ))
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 assi 
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   (( segid "   A" and resid 22   and name  HE22))
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 assi 
   (  segid "   A" and resid 30   and name  HD1#)
   (( segid "   A" and resid 30   and name  HN  ))
      3.986     0.797     0.797

 assi 
   (( segid "   A" and resid 31   and name  HB1 ))
   (( segid "   A" and resid 31   and name  HN  ))
      3.423     0.685     0.685

 assi 
   (( segid "   A" and resid 5    and name  HG2 ))
   (( segid "   A" and resid 5    and name  HN  ))
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 or   
   (( segid "   A" and resid 5    and name  HG1 ))
   (( segid "   A" and resid 5    and name  HN  ))

 assi 
   (( segid "   A" and resid 4    and name  HA  ))
   (( segid "   A" and resid 7    and name  HN  ))
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 assi 
   (( segid "   A" and resid 5    and name  HA  ))
   (( segid "   A" and resid 7    and name  HN  ))
      4.030     0.806     0.806

 assi 
   (( segid "   A" and resid 19   and name  HB2 ))
   (( segid "   A" and resid 19   and name  HD2 ))
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 assi 
   (( segid "   A" and resid 14   and name  HB2 ))
   (( segid "   A" and resid 14   and name  HN  ))
      3.397     0.679     0.679

 assi 
   (( segid "   A" and resid 12   and name  HG1 ))
   (( segid "   A" and resid 12   and name  HB1 ))
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 assi 
   (( segid "   A" and resid 19   and name  HB2 ))
   (( segid "   A" and resid 19   and name  HB1 ))
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 assi 
   (( segid "   A" and resid 12   and name  HB2 ))
   (( segid "   A" and resid 13   and name  HN  ))
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 assi 
   (( segid "   A" and resid 17   and name  HD2 ))
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 assi 
   (( segid "   A" and resid 4    and name  HG1 ))
   (( segid "   A" and resid 5    and name  HN  ))
      4.334     0.867     0.867

 assi 
   (( segid "   A" and resid 14   and name  HA  ))
   (( segid "   A" and resid 14   and name  HN  ))
      3.662     0.732     0.732

 assi 
   (( segid "   A" and resid 12   and name  HB1 ))
   (( segid "   A" and resid 13   and name  HN  ))
      4.025     0.805     0.805

 assi 
   (( segid "   A" and resid 9    and name  HB2 ))
   (( segid "   A" and resid 10   and name  HN  ))
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 assi 
   (( segid "   A" and resid 12   and name  HG2 ))
   (( segid "   A" and resid 13   and name  HN  ))
      3.644     0.729     0.729

 assi 
   (( segid "   A" and resid 8    and name  HA  ))
   (( segid "   A" and resid 11   and name  HN  ))
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 assi 
   (( segid "   A" and resid 24   and name  HB1 ))
   (( segid "   A" and resid 25   and name  HN  ))
      3.617     0.723     0.723

 assi 
   (( segid "   A" and resid 14   and name  HN  ))
   (( segid "   A" and resid 15   and name  HN  ))
      3.540     0.708     0.708

 assi 
   (( segid "   A" and resid 7    and name  HN  ))
   (( segid "   A" and resid 8    and name  HN  ))
      3.226     0.645     0.645

 assi 
   (  segid "   A" and resid 30   and name  HD2#)
   (( segid "   A" and resid 31   and name  HB2 ))
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 assi 
   (( segid "   A" and resid 29   and name  HD1 ))
   (( segid "   A" and resid 29   and name  HG2 ))
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 assi 
   (( segid "   A" and resid 15   and name  HA  ))
   (( segid "   A" and resid 15   and name  HN  ))
      3.177     0.635     0.635

 assi 
   (( segid "   A" and resid 13   and name  HB1 ))
   (( segid "   A" and resid 14   and name  HN  ))
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 assi 
   (( segid "   A" and resid 29   and name  HD2 ))
   (( segid "   A" and resid 29   and name  HB1 ))
      3.922     0.784     0.784

 assi 
   (( segid "   A" and resid 12   and name  HG1 ))
   (( segid "   A" and resid 13   and name  HN  ))
      4.240     0.848     0.848

 assi 
   (( segid "   A" and resid 29   and name  HB2 ))
   (( segid "   A" and resid 29   and name  HA  ))
      3.254     0.651     0.651

 assi 
   (( segid "   A" and resid 29   and name  HD1 ))
   (( segid "   A" and resid 29   and name  HB2 ))
      3.617     0.723     0.723

 assi 
   (( segid "   A" and resid 16   and name  HD21))
   (( segid "   A" and resid 16   and name  HD22))
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 assi 
   (( segid "   A" and resid 23   and name  HA  ))
   (( segid "   A" and resid 23   and name  HB1 ))
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 assi 
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      3.762     0.752     0.752

 assi 
   (( segid "   A" and resid 29   and name  HB1 ))
   (( segid "   A" and resid 29   and name  HG2 ))
      3.234     0.647     0.647

 assi 
   (( segid "   A" and resid 5    and name  HB2 ))
   (( segid "   A" and resid 5    and name  HN  ))
      2.981     0.596     0.596
 or   
   (( segid "   A" and resid 5    and name  HB1 ))
   (( segid "   A" and resid 5    and name  HN  ))

 assi 
   (( segid "   A" and resid 22   and name  HG1 ))
   (( segid "   A" and resid 22   and name  HN  ))
      3.885     0.777     0.777

 assi 
   (( segid "   A" and resid 2    and name  HA  ))
   (( segid "   A" and resid 2    and name  HN  ))
      3.964     0.793     0.793

 assi 
   (( segid "   A" and resid 4    and name  HA  ))
   (( segid "   A" and resid 7    and name  HB2 ))
      3.867     0.773     0.773

 assi 
   (( segid "   A" and resid 21   and name  HB1 ))
   (( segid "   A" and resid 22   and name  HN  ))
      3.941     0.788     0.788

 assi 
   (( segid "   A" and resid 22   and name  HG2 ))
   (( segid "   A" and resid 22   and name  HN  ))
      4.243     0.849     0.849

 assi 
   (( segid "   A" and resid 29   and name  HD1 ))
   (( segid "   A" and resid 26   and name  HA  ))
      4.365     0.873     0.873

 assi 
   (( segid "   A" and resid 21   and name  HB2 ))
   (( segid "   A" and resid 21   and name  HN  ))
      3.429     0.686     0.686

 assi 
   (( segid "   A" and resid 27   and name  HA  ))
   (( segid "   A" and resid 27   and name  HN  ))
      3.689     0.738     0.738

 assi 
   (  segid "   A" and resid 6    and name  HB# )
   (( segid "   A" and resid 31   and name  HB2 ))
      3.683     0.737     0.737

 assi 
   (( segid "   A" and resid 30   and name  HA  ))
   (( segid "   A" and resid 31   and name  HN  ))
      3.708     0.742     0.742

 assi 
   (( segid "   A" and resid 7    and name  HA  ))
   (( segid "   A" and resid 7    and name  HN  ))
      3.340     0.668     0.668

 assi 
   (( segid "   A" and resid 29   and name  HB2 ))
   (( segid "   A" and resid 29   and name  HB1 ))
      2.522     0.504     0.504

 assi 
   (( segid "   A" and resid 31   and name  HB2 ))
   (( segid "   A" and resid 31   and name  HB1 ))
      2.496     0.499     0.499

 assi 
   (( segid "   A" and resid 23   and name  HA  ))
   (( segid "   A" and resid 23   and name  HN  ))
      3.804     0.761     0.761

 assi 
   (( segid "   A" and resid 4    and name  HB2 ))
   (( segid "   A" and resid 4    and name  HN  ))
      2.884     0.577     0.577
 or   
   (( segid "   A" and resid 4    and name  HB1 ))
   (( segid "   A" and resid 4    and name  HN  ))

 assi 
   (( segid "   A" and resid 19   and name  HD2 ))
   (( segid "   A" and resid 18   and name  HB  ))
      3.885     0.777     0.777

 assi 
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 15   and name  HN  ))
      3.938     0.788     0.788

 assi 
   (( segid "   A" and resid 22   and name  HA  ))
   (( segid "   A" and resid 23   and name  HN  ))
      4.272     0.854     0.854

 assi 
   (( segid "   A" and resid 19   and name  HD2 ))
   (( segid "   A" and resid 22   and name  HB2 ))
      3.456     0.691     0.691
 or   
   (( segid "   A" and resid 19   and name  HD2 ))
   (( segid "   A" and resid 22   and name  HB1 ))

 assi 
   (( segid "   A" and resid 24   and name  HB2 ))
   (( segid "   A" and resid 24   and name  HN  ))
      3.105     0.621     0.621

 assi 
   (( segid "   A" and resid 29   and name  HD1 ))
   (( segid "   A" and resid 28   and name  HN  ))
      3.624     0.725     0.725

 assi 
   (( segid "   A" and resid 21   and name  HA  ))
   (( segid "   A" and resid 22   and name  HN  ))
      4.067     0.813     0.813

 assi 
   (( segid "   A" and resid 16   and name  HB1 ))
   (( segid "   A" and resid 16   and name  HN  ))
      3.571     0.714     0.714

 assi 
   (( segid "   A" and resid 21   and name  HA  ))
   (  segid "   A" and resid 24   and name  HD# )
      4.294     0.859     0.859

 assi 
   (( segid "   A" and resid 19   and name  HB2 ))
   (( segid "   A" and resid 20   and name  HN  ))
      3.994     0.799     0.799

 assi 
   (( segid "   A" and resid 19   and name  HA  ))
   (( segid "   A" and resid 19   and name  HB1 ))
      3.246     0.649     0.649

 assi 
   (  segid "   A" and resid 20   and name  HD# )
   (( segid "   A" and resid 20   and name  HA  ))
      3.166     0.633     0.633

 assi 
   (( segid "   A" and resid 2    and name  HB2 ))
   (( segid "   A" and resid 2    and name  HN  ))
      4.071     0.814     0.814

 assi 
   (( segid "   A" and resid 23   and name  HB1 ))
   (( segid "   A" and resid 24   and name  HN  ))
      3.421     0.684     0.684

 assi 
   (( segid "   A" and resid 14   and name  HB2 ))
   (( segid "   A" and resid 15   and name  HN  ))
      3.597     0.719     0.719

 assi 
   (( segid "   A" and resid 29   and name  HD2 ))
   (( segid "   A" and resid 30   and name  HN  ))
      4.383     0.877     0.877

 assi 
   (( segid "   A" and resid 23   and name  HB2 ))
   (( segid "   A" and resid 23   and name  HN  ))
      3.476     0.695     0.695

 assi 
   (( segid "   A" and resid 18   and name  HA  ))
   (( segid "   A" and resid 18   and name  HB  ))
      3.453     0.691     0.691

 assi 
   (( segid "   A" and resid 13   and name  HA  ))
   (( segid "   A" and resid 13   and name  HN  ))
      3.319     0.664     0.664

 assi 
   (( segid "   A" and resid 26   and name  HG2 ))
   (( segid "   A" and resid 26   and name  HA  ))
      4.024     0.805     0.805

 assi 
   (( segid "   A" and resid 12   and name  HG1 ))
   (( segid "   A" and resid 12   and name  HA  ))
      3.781     0.756     0.756

 assi 
   (( segid "   A" and resid 5    and name  HA  ))
   (( segid "   A" and resid 5    and name  HN  ))
      3.331     0.666     0.666

 assi 
   (( segid "   A" and resid 7    and name  HB1 ))
   (( segid "   A" and resid 7    and name  HN  ))
      3.035     0.607     0.607

 assi 
   (( segid "   A" and resid 5    and name  HB2 ))
   (( segid "   A" and resid 6    and name  HN  ))
      3.376     0.675     0.675

 assi 
   (( segid "   A" and resid 19   and name  HB1 ))
   (( segid "   A" and resid 22   and name  HN  ))
      3.723     0.745     0.745

 assi 
   (( segid "   A" and resid 31   and name  HN  ))
   (( segid "   A" and resid 32   and name  HN  ))
      3.263     0.653     0.653

 assi 
   (( segid "   A" and resid 22   and name  HB2 ))
   (( segid "   A" and resid 22   and name  HN  ))
      2.998     0.600     0.600
 or   
   (( segid "   A" and resid 22   and name  HB1 ))
   (( segid "   A" and resid 22   and name  HN  ))

 assi 
   (( segid "   A" and resid 19   and name  HD1 ))
   (( segid "   A" and resid 19   and name  HG2 ))
      3.348     0.670     0.670
 or   
   (( segid "   A" and resid 19   and name  HD1 ))
   (( segid "   A" and resid 19   and name  HG1 ))

 assi 
   (( segid "   A" and resid 16   and name  HN  ))
   (( segid "   A" and resid 16   and name  HA  ))
      3.777     0.755     0.755

 assi 
   (( segid "   A" and resid 22   and name  HA  ))
   (( segid "   A" and resid 22   and name  HG1 ))
      3.493     0.699     0.699

 assi 
   (( segid "   A" and resid 19   and name  HB1 ))
   (( segid "   A" and resid 19   and name  HD2 ))
      3.201     0.640     0.640

 assi 
   (( segid "   A" and resid 22   and name  HB2 ))
   (( segid "   A" and resid 22   and name  HG1 ))
      2.650     0.530     0.530
 or   
   (( segid "   A" and resid 22   and name  HB1 ))
   (( segid "   A" and resid 22   and name  HG1 ))

 assi 
   (( segid "   A" and resid 13   and name  HA  ))
   (( segid "   A" and resid 13   and name  HB1 ))
      3.311     0.662     0.662

 assi 
   (( segid "   A" and resid 13   and name  HB2 ))
   (( segid "   A" and resid 13   and name  HB1 ))
      2.625     0.525     0.525

 assi 
   (( segid "   A" and resid 31   and name  HA  ))
   (( segid "   A" and resid 31   and name  HB2 ))
      3.172     0.634     0.634

 assi 
   (( segid "   A" and resid 3    and name  HA  ))
   (  segid "   A" and resid 6    and name  HB# )
      3.585     0.717     0.717

 assi 
   (( segid "   A" and resid 9    and name  HA  ))
   (  segid "   A" and resid 8    and name  HD# )
      4.039     0.808     0.808

 assi 
   (( segid "   A" and resid 4    and name  HG1 ))
   (( segid "   A" and resid 4    and name  HA  ))
      3.324     0.665     0.665
 or   
   (( segid "   A" and resid 4    and name  HG2 ))
   (( segid "   A" and resid 4    and name  HA  ))

 assi 
   (( segid "   A" and resid 19   and name  HB1 ))
   (( segid "   A" and resid 20   and name  HN  ))
      4.155     0.831     0.831

 assi 
   (( segid "   A" and resid 12   and name  HA  ))
   (( segid "   A" and resid 13   and name  HN  ))
      4.008     0.802     0.802

 assi 
   (  segid "   A" and resid 10   and name  HD# )
   (( segid "   A" and resid 9    and name  HB1 ))
      3.735     0.747     0.747

 assi 
   (( segid "   A" and resid 4    and name  HA  ))
   (( segid "   A" and resid 4    and name  HN  ))
      3.173     0.635     0.635

 assi 
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 14   and name  HN  ))
      3.458     0.692     0.692

 assi 
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 23   and name  HN  ))
      3.312     0.662     0.662

 assi 
   (( segid "   A" and resid 25   and name  HE21))
   (( segid "   A" and resid 25   and name  HE22))
      2.076     0.356     0.415

 assi 
   (( segid "   A" and resid 21   and name  HA  ))
   (( segid "   A" and resid 21   and name  HB1 ))
      2.928     0.586     0.586

 assi 
   (( segid "   A" and resid 26   and name  HA  ))
   (  segid "   A" and resid 26   and name  HE# )
      3.361     0.672     0.672

 assi 
   (( segid "   A" and resid 30   and name  HA  ))
   (( segid "   A" and resid 30   and name  HN  ))
      3.485     0.697     0.697

 assi 
   (( segid "   A" and resid 8    and name  HA  ))
   (( segid "   A" and resid 8    and name  HN  ))
      3.407     0.681     0.681

 assi 
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 24   and name  HN  ))
      3.604     0.721     0.721

 assi 
   (( segid "   A" and resid 31   and name  HA  ))
   (( segid "   A" and resid 32   and name  HN  ))
      3.556     0.711     0.711

 assi 
   (( segid "   A" and resid 12   and name  HG2 ))
   (( segid "   A" and resid 12   and name  HA  ))
      3.119     0.624     0.624

 assi 
   (( segid "   A" and resid 19   and name  HD2 ))
   (( segid "   A" and resid 18   and name  HA  ))
      2.844     0.569     0.569

 assi 
   (  segid "   A" and resid 24   and name  HD# )
   (( segid "   A" and resid 24   and name  HA  ))
      3.206     0.641     0.641

 assi 
   (( segid "   A" and resid 4    and name  HB2 ))
   (( segid "   A" and resid 5    and name  HN  ))
      3.384     0.677     0.677

 assi 
   (( segid "   A" and resid 21   and name  HA  ))
   (( segid "   A" and resid 21   and name  HB2 ))
      2.672     0.534     0.534

 assi 
   (( segid "   A" and resid 18   and name  HA  ))
   (( segid "   A" and resid 18   and name  HN  ))
      4.172     0.834     0.834

 assi 
   (( segid "   A" and resid 19   and name  HD2 ))
   (  segid "   A" and resid 18   and name  HG1#)
      4.072     0.814     0.814

 assi 
   (( segid "   A" and resid 31   and name  HG2 ))
   (( segid "   A" and resid 31   and name  HB2 ))
      2.943     0.589     0.589

 assi 
   (( segid "   A" and resid 6    and name  HN  ))
   (( segid "   A" and resid 5    and name  HN  ))
      3.137     0.627     0.627

 assi 
   (( segid "   A" and resid 12   and name  HN  ))
   (( segid "   A" and resid 13   and name  HN  ))
      3.272     0.654     0.654

 assi 
   (( segid "   A" and resid 2    and name  HA  ))
   (( segid "   A" and resid 2    and name  HB2 ))
      3.531     0.706     0.706

 assi 
   (  segid "   A" and resid 18   and name  HG1#)
   (( segid "   A" and resid 18   and name  HN  ))
      3.343     0.669     0.669

 assi 
   (( segid "   A" and resid 6    and name  HN  ))
   (( segid "   A" and resid 7    and name  HN  ))
      3.130     0.626     0.626

 assi 
   (( segid "   A" and resid 19   and name  HB2 ))
   (( segid "   A" and resid 19   and name  HD1 ))
      4.119     0.824     0.824

 assi 
   (( segid "   A" and resid 33   and name  HA  ))
   (( segid "   A" and resid 33   and name  HN  ))
      3.836     0.767     0.767

 assi 
   (( segid "   A" and resid 12   and name  HG2 ))
   (( segid "   A" and resid 12   and name  HN  ))
      3.030     0.606     0.606

 assi 
   (( segid "   A" and resid 31   and name  HG1 ))
   (( segid "   A" and resid 31   and name  HB2 ))
      3.299     0.660     0.660

 assi 
   (( segid "   A" and resid 19   and name  HA  ))
   (( segid "   A" and resid 19   and name  HB2 ))
      2.806     0.561     0.561

 assi 
   (( segid "   A" and resid 12   and name  HG1 ))
   (( segid "   A" and resid 12   and name  HN  ))
      3.558     0.712     0.712

 assi 
   (( segid "   A" and resid 24   and name  HB2 ))
   (  segid "   A" and resid 20   and name  HD# )
      3.933     0.787     0.787

 assi 
   (( segid "   A" and resid 8    and name  HB2 ))
   (( segid "   A" and resid 8    and name  HN  ))
      3.167     0.633     0.633

 assi 
   (  segid "   A" and resid 8    and name  HE# )
   (( segid "   A" and resid 12   and name  HG1 ))
      3.755     0.751     0.751

 assi 
   (( segid "   A" and resid 8    and name  HA  ))
   (( segid "   A" and resid 8    and name  HB1 ))
      3.099     0.620     0.620

 assi 
   (( segid "   A" and resid 8    and name  HA  ))
   (( segid "   A" and resid 11   and name  HB1 ))
      3.150     0.630     0.630

 assi 
   (( segid "   A" and resid 32   and name  HB2 ))
   (( segid "   A" and resid 32   and name  HA  ))
      3.477     0.695     0.695

 assi 
   (( segid "   A" and resid 7    and name  HB2 ))
   (( segid "   A" and resid 8    and name  HN  ))
      3.484     0.697     0.697
 or   
   (( segid "   A" and resid 7    and name  HB1 ))
   (( segid "   A" and resid 8    and name  HN  ))

 assi 
   (  segid "   A" and resid 20   and name  HD# )
   (( segid "   A" and resid 21   and name  HN  ))
      3.892     0.778     0.778

 assi 
   (( segid "   A" and resid 11   and name  HA  ))
   (( segid "   A" and resid 12   and name  HN  ))
      4.195     0.839     0.839

 assi 
   (( segid "   A" and resid 22   and name  HB1 ))
   (( segid "   A" and resid 22   and name  HG2 ))
      3.076     0.615     0.615
 or   
   (( segid "   A" and resid 22   and name  HB2 ))
   (( segid "   A" and resid 22   and name  HG2 ))

 assi 
   (( segid "   A" and resid 12   and name  HB2 ))
   (( segid "   A" and resid 12   and name  HA  ))
      3.237     0.647     0.647

 assi 
   (  segid "   A" and resid 26   and name  HE# )
   (( segid "   A" and resid 26   and name  HN  ))
      3.529     0.706     0.706

 assi 
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 22   and name  HN  ))
      3.337     0.667     0.667

 assi 
   (( segid "   A" and resid 11   and name  HB2 ))
   (( segid "   A" and resid 11   and name  HB1 ))
      2.584     0.517     0.517

 assi 
   (  segid "   A" and resid 10   and name  HD# )
   (( segid "   A" and resid 10   and name  HN  ))
      3.378     0.676     0.676

 assi 
   (( segid "   A" and resid 12   and name  HA  ))
   (( segid "   A" and resid 12   and name  HN  ))
      3.372     0.674     0.674

 assi 
   (( segid "   A" and resid 8    and name  HA  ))
   (( segid "   A" and resid 9    and name  HN  ))
      3.996     0.799     0.799

 assi 
   (( segid "   A" and resid 20   and name  HB1 ))
   (( segid "   A" and resid 21   and name  HN  ))
      3.905     0.781     0.781

 assi 
   (( segid "   A" and resid 11   and name  HB1 ))
   (( segid "   A" and resid 11   and name  HG1 ))
      3.578     0.716     0.716

 assi 
   (( segid "   A" and resid 31   and name  HB2 ))
   (( segid "   A" and resid 31   and name  HN  ))
      3.861     0.772     0.772

 assi 
   (( segid "   A" and resid 9    and name  HA  ))
   (( segid "   A" and resid 9    and name  HN  ))
      3.426     0.685     0.685

 assi 
   (( segid "   A" and resid 11   and name  HA  ))
   (( segid "   A" and resid 11   and name  HG1 ))
      3.661     0.732     0.732

 assi 
   (( segid "   A" and resid 9    and name  HN  ))
   (( segid "   A" and resid 8    and name  HN  ))
      3.213     0.643     0.643

 assi 
   (  segid "   A" and resid 6    and name  HB# )
   (( segid "   A" and resid 7    and name  HN  ))
      3.147     0.629     0.629

 assi 
   (( segid "   A" and resid 11   and name  HB1 ))
   (( segid "   A" and resid 12   and name  HN  ))
      3.768     0.754     0.754

 assi 
   (  segid "   A" and resid 6    and name  HB# )
   (( segid "   A" and resid 31   and name  HB1 ))
      3.915     0.783     0.783

 assi 
   (( segid "   A" and resid 31   and name  HG2 ))
   (( segid "   A" and resid 31   and name  HB1 ))
      2.829     0.566     0.566

 assi 
   (( segid "   A" and resid 29   and name  HD2 ))
   (( segid "   A" and resid 28   and name  HN  ))
      3.243     0.649     0.649

 assi 
   (  segid "   A" and resid 8    and name  HD# )
   (( segid "   A" and resid 8    and name  HN  ))
      4.015     0.803     0.803

 assi 
   (( segid "   A" and resid 9    and name  HB2 ))
   (  segid "   A" and resid 30   and name  HD1#)
      3.188     0.638     0.638

 assi 
   (( segid "   A" and resid 11   and name  HN  ))
   (( segid "   A" and resid 12   and name  HN  ))
      3.481     0.696     0.696

 assi 
   (( segid "   A" and resid 17   and name  HB2 ))
   (( segid "   A" and resid 17   and name  HA  ))
      2.850     0.570     0.570

 assi 
   (( segid "   A" and resid 7    and name  HA  ))
   (( segid "   A" and resid 10   and name  HN  ))
      4.054     0.811     0.811

 assi 
   (( segid "   A" and resid 31   and name  HG2 ))
   (( segid "   A" and resid 31   and name  HG1 ))
      2.433     0.487     0.487

 assi 
   (( segid "   A" and resid 27   and name  HB1 ))
   (( segid "   A" and resid 28   and name  HN  ))
      4.056     0.811     0.811

 assi 
   (( segid "   A" and resid 28   and name  HB1 ))
   (( segid "   A" and resid 28   and name  HN  ))
      3.406     0.681     0.681

 assi 
   (( segid "   A" and resid 6    and name  HA  ))
   (( segid "   A" and resid 9    and name  HN  ))
      3.785     0.757     0.757

 assi 
   (  segid "   A" and resid 8    and name  HE# )
   (( segid "   A" and resid 12   and name  HB2 ))
      4.053     0.811     0.811

 assi 
   (( segid "   A" and resid 9    and name  HB1 ))
   (( segid "   A" and resid 27   and name  HB2 ))
      3.805     0.761     0.761

 assi 
   (( segid "   A" and resid 6    and name  HA  ))
   (( segid "   A" and resid 7    and name  HN  ))
      3.807     0.761     0.761
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name  HG2) 2.488 0.774 0.774 weight 1.000 ! spec=D2O_NOESY, no=28, id=864, vol=2.951800e+06
    or (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name  HG1)
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name  HB2) 2.040 0.520 0.520 weight 1.000 ! spec=D2O_NOESY, no=29, id=865, vol=9.723142e+06
    or (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name  HB1)
assign (segid "   A" and resid    4 and name  HG2) (segid "   A" and resid    4 and name  HB1) 2.174 0.591 0.591 weight 1.000 ! spec=D2O_NOESY, no=30, id=866, vol=6.637489e+06
    or (segid "   A" and resid    4 and name  HG2) (segid "   A" and resid    4 and name  HB2)
    or (segid "   A" and resid    4 and name  HG1) (segid "   A" and resid    4 and name  HB1)
    or (segid "   A" and resid    3 and name  HB2) (segid "   A" and resid    3 and name  HG2)
assign (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    5 and name  HB2) 2.191 0.600 0.600 weight 1.000 ! spec=D2O_NOESY, no=32, id=868, vol=6.325642e+06
    or (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    5 and name  HB1)
assign (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    5 and name  HG2) 2.286 0.653 0.653 weight 1.000 ! spec=D2O_NOESY, no=33, id=869, vol=4.903982e+06
    or (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    5 and name  HG1)
assign (segid "   A" and resid    5 and name  HG1) (segid "   A" and resid    5 and name  HB1) 2.193 0.601 0.601 weight 1.000 ! spec=D2O_NOESY, no=37, id=872, vol=6.300478e+06
    or (segid "   A" and resid    5 and name  HG2) (segid "   A" and resid    5 and name  HB2)
    or (segid "   A" and resid    5 and name  HG2) (segid "   A" and resid    5 and name  HB1)
assign (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   17 and name  HG2) 2.482 0.770 0.770 weight 1.000 ! spec=D2O_NOESY, no=74, id=891, vol=2.996347e+06
    or (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   17 and name  HG1)
assign (segid "   A" and resid    7 and name  HG2) (segid "   A" and resid    7 and name  HD1) 2.671 0.892 0.892 weight 1.000 ! spec=D2O_NOESY, no=83, id=895, vol=1.931320e+06
    or (segid "   A" and resid    7 and name  HG2) (segid "   A" and resid    7 and name  HD2)
assign (segid "   A" and resid    7 and name  HG1) (segid "   A" and resid    7 and name  HD1) 2.640 0.871 0.871 weight 1.000 ! spec=D2O_NOESY, no=85, id=897, vol=2.071012e+06
    or (segid "   A" and resid   17 and name  HD1) (segid "   A" and resid   17 and name  HG1)
    or (segid "   A" and resid    7 and name  HG1) (segid "   A" and resid    7 and name  HD2)
assign (segid "   A" and resid    7 and name  HB1) (segid "   A" and resid    7 and name  HD2) 2.722 0.926 0.926 weight 1.000 ! spec=D2O_NOESY, no=98, id=898, vol=1.724400e+06
    or (segid "   A" and resid    7 and name  HB1) (segid "   A" and resid    7 and name  HD1)
assign (segid "   A" and resid    8 and name  HD2) (segid "   A" and resid   12 and name  HG1) 3.056 1.168 1.168 weight 1.000 ! spec=D2O_NOESY, no=136, id=926, vol=8.594392e+05
    or (segid "   A" and resid    8 and name  HD1) (segid "   A" and resid   12 and name  HG1)
    or (segid "   A" and resid    8 and name  HD2) (segid "   A" and resid   12 and name  HG2)
    or (segid "   A" and resid    8 and name  HD1) (segid "   A" and resid   12 and name  HG2)
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   11 and name  HB1) 2.228 0.621 0.621 weight 1.000 ! spec=D2O_NOESY, no=162, id=950, vol=5.720511e+06
    or (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   11 and name  HG2)
assign (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   22 and name   HA) 2.067 0.534 0.534 weight 1.000 ! spec=D2O_NOESY, no=199, id=978, vol=8.990436e+06
    or (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   22 and name   HA)
assign (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   25 and name  HB1) 2.071 0.536 0.536 weight 1.000 ! spec=D2O_NOESY, no=254, id=1018, vol=8.884073e+06
    or (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   25 and name  HB2)
assign (segid "   A" and resid   25 and name  HB2) (segid "   A" and resid   25 and name  HG2) 2.277 0.648 0.648 weight 1.000 ! spec=D2O_NOESY, no=258, id=1020, vol=5.027059e+06
    or (segid "   A" and resid   25 and name  HB1) (segid "   A" and resid   25 and name  HG2)
    or (segid "   A" and resid   26 and name  HG2) (segid "   A" and resid   26 and name  HB1)
assign (segid "   A" and resid   25 and name  HB1) (segid "   A" and resid   25 and name  HG2) 2.187 0.598 0.598 weight 1.000 ! spec=D2O_NOESY, no=261, id=1021, vol=6.401048e+06
    or (segid "   A" and resid   25 and name  HB2) (segid "   A" and resid   25 and name  HG2)
assign (segid "   A" and resid   29 and name  HG2) (segid "   A" and resid   29 and name  HG1) 1.814 0.411 0.411 weight 1.000 ! spec=D2O_NOESY, no=323, id=1061, vol=1.964167e+07
    or (segid "   A" and resid   32 and name  HB2) (segid "   A" and resid   32 and name  HB1)
assign (segid "   A" and resid   32 and name  HG1) (segid "   A" and resid   32 and name   HA) 2.636 0.868 0.868 weight 1.000 ! spec=D2O_NOESY, no=371, id=1102, vol=2.089040e+06
    or (segid "   A" and resid   32 and name  HG2) (segid "   A" and resid   32 and name   HA)
assign (segid "   A" and resid   32 and name  HD1) (segid "   A" and resid   32 and name  HB2) 3.115 1.213 1.213 weight 1.000 ! spec=D2O_NOESY, no=382, id=1108, vol=7.662715e+05
    or (segid "   A" and resid   32 and name  HD2) (segid "   A" and resid   32 and name  HB2)
assign (segid "   A" and resid   32 and name  HD1) (segid "   A" and resid   32 and name  HB1) 3.168 1.254 1.254 weight 1.000 ! spec=D2O_NOESY, no=383, id=1109, vol=6.934180e+05
    or (segid "   A" and resid   32 and name  HD2) (segid "   A" and resid   32 and name  HB1)
assign (segid "   A" and resid   32 and name  HG2) (segid "   A" and resid   32 and name  HB1) 2.443 0.746 0.746 weight 1.000 ! spec=D2O_NOESY, no=392, id=1110, vol=3.296767e+06
    or (segid "   A" and resid   32 and name  HG1) (segid "   A" and resid   32 and name  HB1)
assign (segid "   A" and resid   32 and name   HA) (segid "   A" and resid   32 and name  HD1) 3.146 1.237 1.237 weight 1.000 ! spec=D2O_NOESY, no=394, id=1112, vol=7.223562e+05
    or (segid "   A" and resid   32 and name   HA) (segid "   A" and resid   32 and name  HD2)
assign (segid "   A" and resid   33 and name   HA) (segid "   A" and resid   33 and name  HB2) 2.312 0.668 0.668 weight 1.000 ! spec=D2O_NOESY, no=397, id=1114, vol=4.593075e+06
    or (segid "   A" and resid   33 and name   HA) (segid "   A" and resid   33 and name  HB1)
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   17 and name  HG2) 2.440 0.744 0.744 weight 1.000 ! spec=D2O_NOESY, no=426, id=1131, vol=3.319662e+06
    or (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   17 and name  HG1)
assign (segid "   A" and resid   17 and name  HE1) (segid "   A" and resid   17 and name  HD2) 2.816 0.991 0.991 weight 1.000 ! spec=D2O_NOESY, no=442, id=1141, vol=1.405838e+06
    or (segid "   A" and resid   17 and name  HE2) (segid "   A" and resid   17 and name  HD2)
assign (segid "   A" and resid   17 and name  HG2) (segid "   A" and resid   17 and name  HB1) 2.578 0.831 0.831 weight 1.000 ! spec=D2O_NOESY, no=455, id=1146, vol=2.385661e+06
    or (segid "   A" and resid   17 and name  HG1) (segid "   A" and resid   17 and name  HB1)
assign (segid "   A" and resid   19 and name  HG2) (segid "   A" and resid   19 and name   HA) 2.683 0.900 0.900 weight 1.000 ! spec=D2O_NOESY, no=477, id=1166, vol=1.877614e+06
    or (segid "   A" and resid   19 and name  HG1) (segid "   A" and resid   19 and name   HA)
assign (segid "   A" and resid   19 and name  HD1) (segid "   A" and resid   19 and name  HG1) 2.662 0.886 0.886 weight 1.000 ! spec=D2O_NOESY, no=478, id=1167, vol=1.968932e+06
    or (segid "   A" and resid   19 and name  HD1) (segid "   A" and resid   19 and name  HG2)
assign (segid "   A" and resid   19 and name  HB1) (segid "   A" and resid   19 and name  HG1) 2.327 0.677 0.677 weight 1.000 ! spec=D2O_NOESY, no=485, id=1174, vol=4.408264e+06
    or (segid "   A" and resid   19 and name  HB1) (segid "   A" and resid   19 and name  HG2)
assign (segid "   A" and resid    2 and name  HB2) (segid "   A" and resid    2 and name   HA) 2.485 0.772 0.772 weight 1.000 ! spec=D2O_NOESY, no=507, id=1183, vol=2.973545e+06
    or (segid "   A" and resid    2 and name  HB1) (segid "   A" and resid    2 and name   HA)
assign (segid "   A" and resid   19 and name  HD2) (segid "   A" and resid   19 and name  HG1) 2.507 0.785 0.785 weight 1.000 ! spec=D2O_NOESY, no=520, id=1193, vol=2.823516e+06
    or (segid "   A" and resid   19 and name  HD2) (segid "   A" and resid   19 and name  HG2)
assign (segid "   A" and resid   29 and name  HD1) (segid "   A" and resid   29 and name   HA) 2.711 0.919 0.919 weight 1.000 ! spec=D2O_NOESY, no=542, id=1213, vol=1.764108e+06
    or (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   29 and name  HD1)
assign (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   19 and name  HD1) 2.588 0.837 0.837 weight 1.000 ! spec=D2O_NOESY, no=668, id=1285, vol=2.334528e+06
    or (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   19 and name  HD1)
assign (segid "   A" and resid   18 and name HG22) (segid "   A" and resid   22 and name  HB2) 2.096 0.549 0.549 weight 1.000 ! spec=D2O_NOESY, no=675, id=1292, vol=8.254283e+06
    or (segid "   A" and resid   18 and name HG21) (segid "   A" and resid   22 and name  HB2)
    or (segid "   A" and resid   18 and name HG23) (segid "   A" and resid   22 and name  HB2)
    or (segid "   A" and resid   18 and name HG22) (segid "   A" and resid   22 and name  HB1)
    or (segid "   A" and resid   18 and name HG21) (segid "   A" and resid   22 and name  HB1)
    or (segid "   A" and resid   18 and name HG23) (segid "   A" and resid   22 and name  HB1)
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   25 and name  HB2) 2.302 0.663 0.663 weight 1.000 ! spec=D2O_NOESY, no=695, id=1302, vol=4.705328e+06
    or (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   25 and name  HB1)
assign (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid   30 and name HD22) 2.921 1.067 1.067 weight 1.000 ! spec=D2O_NOESY, no=739, id=1328, vol=1.127043e+06
    or (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid   30 and name HD21)
    or (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid   30 and name HD23)
    or (segid "   A" and resid   31 and name  HG1) (segid "   A" and resid   30 and name HD22)
    or (segid "   A" and resid   31 and name  HG1) (segid "   A" and resid   30 and name HD21)
    or (segid "   A" and resid   31 and name  HG1) (segid "   A" and resid   30 and name HD23)
assign (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   17 and name  HG1) 2.392 0.715 0.715 weight 1.000 ! spec=D2O_NOESY, no=749, id=1337, vol=3.740974e+06
    or (segid "   A" and resid    7 and name  HB2) (segid "   A" and resid    7 and name  HG1)
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HB1) 2.286 0.653 0.653 weight 1.000 ! spec=NOE_200_800, no=30, id=17, vol=8.136152e+06
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HB2)
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name  HB1) 2.558 0.818 0.818 weight 1.000 ! spec=NOE_200_800, no=49, id=33, vol=4.146348e+06
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name  HB2)
assign (segid "   A" and resid    5 and name HE21) (segid "   A" and resid    5 and name  HG2) 2.622 0.859 0.859 weight 1.000 ! spec=NOE_200_800, no=55, id=39, vol=3.571558e+06
    or (segid "   A" and resid    5 and name HE21) (segid "   A" and resid    5 and name  HG1)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name  HB2) 2.312 0.668 0.668 weight 1.000 ! spec=NOE_200_800, no=57, id=41, vol=7.597856e+06
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name  HB1)
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   32 and name  HG1) 2.996 1.122 1.122 weight 1.000 ! spec=NOE_200_800, no=95, id=65, vol=1.603894e+06
    or (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   32 and name  HG2)
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   33 and name  HB1) 2.941 1.081 1.081 weight 1.000 ! spec=NOE_200_800, no=103, id=70, vol=1.791914e+06
    or (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   33 and name  HB2)
assign (segid "   A" and resid    4 and name HE22) (segid "   A" and resid    4 and name  HG2) 3.016 1.137 1.137 weight 1.000 ! spec=NOE_200_800, no=122, id=84, vol=1.540759e+06
    or (segid "   A" and resid    4 and name HE22) (segid "   A" and resid    4 and name  HG1)
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name  HD2) 2.814 0.990 0.990 weight 1.000 ! spec=NOE_200_800, no=141, id=96, vol=2.335635e+06
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name  HD1)
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name  HB1) 2.637 0.869 0.869 weight 1.000 ! spec=NOE_200_800, no=207, id=154, vol=3.454727e+06
    or (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name  HB2)
assign (segid "   A" and resid    4 and name  HG2) (segid "   A" and resid    4 and name  HB1) 2.149 0.577 0.577 weight 1.000 ! spec=NOE_200_800, no=281, id=205, vol=1.177702e+07
    or (segid "   A" and resid    4 and name  HG1) (segid "   A" and resid    4 and name  HB1)
    or (segid "   A" and resid    4 and name  HG2) (segid "   A" and resid    4 and name  HB2)
assign (segid "   A" and resid   17 and name  HD1) (segid "   A" and resid   17 and name  HG2) 2.702 0.913 0.913 weight 1.000 ! spec=NOE_200_800, no=338, id=242, vol=2.982122e+06
    or (segid "   A" and resid   17 and name  HD1) (segid "   A" and resid   17 and name  HG1)
assign (segid "   A" and resid   22 and name  HG1) (segid "   A" and resid   22 and name  HB2) 2.020 0.510 0.510 weight 1.000 ! spec=NOE_200_800, no=540, id=394, vol=1.705900e+07
    or (segid "   A" and resid   22 and name  HG1) (segid "   A" and resid   22 and name  HB1)
assign (segid "   A" and resid   22 and name  HG2) (segid "   A" and resid   22 and name  HB2) 2.345 0.688 0.688 weight 1.000 ! spec=NOE_200_800, no=544, id=397, vol=6.970172e+06
    or (segid "   A" and resid   22 and name  HG2) (segid "   A" and resid   22 and name  HB1)
assign (segid "   A" and resid    3 and name  HD2) (segid "   A" and resid    3 and name  HG2) 2.267 0.642 0.642 weight 1.000 ! spec=NOE_200_800, no=591, id=433, vol=8.554020e+06
    or (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   25 and name  HB1)
    or (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   25 and name  HB2)
assign (segid "   A" and resid   26 and name  HG2) (segid "   A" and resid   26 and name  HB1) 2.491 0.775 0.775 weight 1.000 ! spec=NOE_200_800, no=594, id=435, vol=4.862422e+06
    or (segid "   A" and resid   25 and name  HG1) (segid "   A" and resid   25 and name  HB2)
    or (segid "   A" and resid   25 and name  HG1) (segid "   A" and resid   25 and name  HB1)
assign (segid "   A" and resid    3 and name  HG1) (segid "   A" and resid    3 and name  HD1) 2.322 0.674 0.674 weight 1.000 ! spec=NOE_200_800, no=604, id=441, vol=7.403591e+06
    or (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   25 and name  HB1)
    or (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   25 and name  HB2)
assign (segid "   A" and resid   32 and name  HG1) (segid "   A" and resid   32 and name  HB1) 2.337 0.683 0.683 weight 1.000 ! spec=NOE_200_800, no=780, id=569, vol=7.127000e+06
    or (segid "   A" and resid   29 and name  HB1) (segid "   A" and resid   29 and name  HG1)
    or (segid "   A" and resid   32 and name  HG2) (segid "   A" and resid   32 and name  HB1)
assign (segid "   A" and resid   32 and name  HB2) (segid "   A" and resid   32 and name  HG2) 2.001 0.501 0.501 weight 1.000 ! spec=NOE_200_800, no=786, id=574, vol=1.805283e+07
    or (segid "   A" and resid   32 and name  HB2) (segid "   A" and resid   32 and name  HG1)
assign (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   14 and name   HN) 2.537 0.804 0.804 weight 1.000 ! spec=NOE_200_800, no=798, id=583, vol=4.353367e+06
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name  HB1)
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name  HG1) 3.084 1.189 1.189 weight 1.000 ! spec=NOE_200_800, no=843, id=613, vol=1.348472e+06
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name  HG2)
assign (segid "   A" and resid   17 and name  HD2) (segid "   A" and resid   17 and name  HG2) 2.661 0.885 0.885 weight 1.000 ! spec=NOE_200_800, no=860, id=621, vol=3.268326e+06
    or (segid "   A" and resid   17 and name  HD2) (segid "   A" and resid   17 and name  HG1)
assign (segid "   A" and resid    3 and name  HD2) (segid "   A" and resid    2 and name   HA) 2.101 0.552 0.552 weight 1.000 ! spec=NOE_200_800, no=880, id=638, vol=1.347359e+07
    or (segid "   A" and resid    3 and name  HD1) (segid "   A" and resid    2 and name   HA)
assign (segid "   A" and resid    3 and name  HD1) (segid "   A" and resid    3 and name  HB2) 3.039 1.155 1.155 weight 1.000 ! spec=NOE_200_800, no=914, id=664, vol=1.471872e+06
    or (segid "   A" and resid    3 and name  HD2) (segid "   A" and resid    3 and name  HB2)
assign (segid "   A" and resid    3 and name  HD2) (segid "   A" and resid    3 and name  HG2) 2.611 0.852 0.852 weight 1.000 ! spec=NOE_200_800, no=923, id=666, vol=3.659236e+06
    or (segid "   A" and resid    3 and name  HD1) (segid "   A" and resid    3 and name  HG2)
assign (segid "   A" and resid    3 and name  HD2) (segid "   A" and resid    3 and name  HB1) 2.848 1.014 1.014 weight 1.000 ! spec=NOE_200_800, no=924, id=667, vol=2.176067e+06
    or (segid "   A" and resid    3 and name  HD1) (segid "   A" and resid    3 and name  HB1)
assign (segid "   A" and resid    9 and name  HB1) (segid "   A" and resid    6 and name   HA) 2.646 0.875 0.875 weight 1.000 ! spec=NOE_200_800, no=987, id=709, vol=3.382469e+06
    or (segid "   A" and resid    9 and name  HB1) (segid "   A" and resid    9 and name   HA)
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   18 and name HG22) 3.263 1.331 1.331 weight 1.000 ! spec=NOE_200_800, no=1065, id=771, vol=9.613635e+05
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   18 and name HG21)
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   18 and name HG23)
    or (segid "   A" and resid   22 and name HE21) (segid "   A" and resid   18 and name HG22)
    or (segid "   A" and resid   22 and name HE21) (segid "   A" and resid   18 and name HG21)
    or (segid "   A" and resid   22 and name HE21) (segid "   A" and resid   18 and name HG23)
assign (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   14 and name HD22) 2.869 1.029 1.029 weight 1.000 ! spec=NOE_200_800, no=1127, id=820, vol=2.079298e+06
    or (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   14 and name HD22)
assign (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   14 and name HD21) 3.160 1.248 1.248 weight 1.000 ! spec=NOE_200_800, no=1131, id=823, vol=1.166216e+06
    or (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   14 and name HD21)
assign (segid "   A" and resid    5 and name HE22) (segid "   A" and resid    5 and name  HG2) 3.198 1.278 1.278 weight 1.000 ! spec=NOE_200_800, no=1158, id=839, vol=1.085583e+06
    or (segid "   A" and resid    5 and name HE22) (segid "   A" and resid    5 and name  HG1)

 assi 
   (( segid "   A" and resid 3    and name  HD1 ))
   (( segid "   A" and resid 25   and name  HB1 ))
      2.973     0.595     0.595
 or   
   (( segid "   A" and resid 3    and name  HD1 ))
   (( segid "   A" and resid 25   and name  HB2 ))
 or   
   (( segid "   A" and resid 25   and name  HA  ))
   (( segid "   A" and resid 25   and name  HB2 ))
 or   
   (( segid "   A" and resid 3    and name  HG2 ))
   (( segid "   A" and resid 25   and name  HA  ))
 or   
   (( segid "   A" and resid 3    and name  HD2 ))
   (( segid "   A" and resid 25   and name  HB1 ))
 or   
   (( segid "   A" and resid 25   and name  HA  ))
   (( segid "   A" and resid 25   and name  HB1 ))
 or   
   (( segid "   A" and resid 3    and name  HD1 ))
   (( segid "   A" and resid 3    and name  HG2 ))
 or   
   (( segid "   A" and resid 3    and name  HD2 ))
   (( segid "   A" and resid 25   and name  HB2 ))
 or   
   (( segid "   A" and resid 3    and name  HD2 ))
   (( segid "   A" and resid 3    and name  HG2 ))

 assi 
   (( segid "   A" and resid 7    and name  HG2 ))
   (( segid "   A" and resid 7    and name  HD2 ))
      3.526     0.705     0.705
 or   
   (( segid "   A" and resid 7    and name  HD2 ))
   (( segid "   A" and resid 17   and name  HG2 ))
 or   
   (( segid "   A" and resid 7    and name  HG2 ))
   (( segid "   A" and resid 17   and name  HD2 ))
 or   
   (( segid "   A" and resid 7    and name  HG2 ))
   (( segid "   A" and resid 7    and name  HD1 ))
 or   
   (( segid "   A" and resid 17   and name  HG1 ))
   (( segid "   A" and resid 17   and name  HD2 ))
 or   
   (( segid "   A" and resid 17   and name  HG2 ))
   (( segid "   A" and resid 17   and name  HD2 ))
 or   
   (( segid "   A" and resid 7    and name  HD1 ))
   (( segid "   A" and resid 17   and name  HG1 ))
 or   
   (( segid "   A" and resid 7    and name  HD2 ))
   (( segid "   A" and resid 17   and name  HG1 ))
 or   
   (( segid "   A" and resid 7    and name  HD1 ))
   (( segid "   A" and resid 17   and name  HG2 ))

 assi 
   (( segid "   A" and resid 19   and name  HB2 ))
   (( segid "   A" and resid 19   and name  HG1 ))
      3.109     0.622     0.622
 or   
   (( segid "   A" and resid 19   and name  HB2 ))
   (( segid "   A" and resid 19   and name  HG2 ))

 assi 
   (( segid "   A" and resid 5    and name  HB1 ))
   (( segid "   A" and resid 8    and name  HA  ))
      4.065     0.813     0.813
 or   
   (( segid "   A" and resid 5    and name  HB2 ))
   (( segid "   A" and resid 8    and name  HA  ))

 assi 
   (( segid "   A" and resid 23   and name  HA  ))
   (( segid "   A" and resid 25   and name  HB2 ))
      3.745     0.749     0.749
 or   
   (( segid "   A" and resid 23   and name  HA  ))
   (( segid "   A" and resid 25   and name  HB1 ))

 assi 
   (( segid "   A" and resid 32   and name  HB2 ))
   (( segid "   A" and resid 32   and name  HD1 ))
      4.161     0.832     0.832
 or   
   (( segid "   A" and resid 32   and name  HB2 ))
   (( segid "   A" and resid 32   and name  HD2 ))

 assi 
   (( segid "   A" and resid 7    and name  HD1 ))
   (( segid "   A" and resid 30   and name  HB2 ))
      2.990     0.598     0.598
 or   
   (( segid "   A" and resid 30   and name  HB2 ))
   (( segid "   A" and resid 30   and name  HG  ))

 assi 
   (( segid "   A" and resid 22   and name  HA  ))
   (( segid "   A" and resid 25   and name  HB1 ))
      3.075     0.615     0.615
 or   
   (( segid "   A" and resid 22   and name  HA  ))
   (( segid "   A" and resid 25   and name  HB2 ))

 assi 
   (( segid "   A" and resid 32   and name  HB1 ))
   (( segid "   A" and resid 32   and name  HG2 ))
      3.263     0.653     0.653
 or   
   (( segid "   A" and resid 32   and name  HB1 ))
   (( segid "   A" and resid 32   and name  HG1 ))

 assi 
   (  segid "   A" and resid 15   and name  HG2#)
   (( segid "   A" and resid 22   and name  HE21))
      4.280     0.856     0.856
 or   
   (  segid "   A" and resid 18   and name  HG2#)
   (( segid "   A" and resid 22   and name  HE21))
 or   
   (  segid "   A" and resid 15   and name  HG2#)
   (( segid "   A" and resid 22   and name  HN  ))
 or   
   (  segid "   A" and resid 18   and name  HG2#)
   (( segid "   A" and resid 22   and name  HN  ))

 assi 
   (( segid "   A" and resid 32   and name  HG2 ))
   (( segid "   A" and resid 32   and name  HN  ))
      3.930     0.786     0.786
 or   
   (( segid "   A" and resid 32   and name  HG1 ))
   (( segid "   A" and resid 32   and name  HN  ))

 assi 
   (( segid "   A" and resid 9    and name  HA  ))
   (( segid "   A" and resid 9    and name  HB1 ))
      3.470     0.694     0.694
 or   
   (( segid "   A" and resid 6    and name  HA  ))
   (( segid "   A" and resid 9    and name  HB1 ))

 assi 
   (( segid "   A" and resid 25   and name  HA  ))
   (( segid "   A" and resid 25   and name  HB1 ))
      2.766     0.553     0.553
 or   
   (( segid "   A" and resid 25   and name  HA  ))
   (( segid "   A" and resid 25   and name  HB2 ))

 assi 
   (( segid "   A" and resid 32   and name  HB2 ))
   (( segid "   A" and resid 32   and name  HG2 ))
      3.478     0.696     0.696
 or   
   (( segid "   A" and resid 29   and name  HB2 ))
   (( segid "   A" and resid 29   and name  HG2 ))
 or   
   (( segid "   A" and resid 29   and name  HB2 ))
   (( segid "   A" and resid 32   and name  HB2 ))
 or   
   (( segid "   A" and resid 32   and name  HB2 ))
   (( segid "   A" and resid 32   and name  HG1 ))
 or   
   (( segid "   A" and resid 29   and name  HG2 ))
   (( segid "   A" and resid 32   and name  HG2 ))
 or   
   (( segid "   A" and resid 29   and name  HG2 ))
   (( segid "   A" and resid 32   and name  HG1 ))

 assi 
   (( segid "   A" and resid 7    and name  HD2 ))
   (( segid "   A" and resid 17   and name  HG2 ))
      3.639     0.728     0.728
 or   
   (( segid "   A" and resid 7    and name  HD1 ))
   (( segid "   A" and resid 17   and name  HG2 ))
 or   
   (( segid "   A" and resid 17   and name  HG2 ))
   (( segid "   A" and resid 17   and name  HD2 ))
 or   
   (( segid "   A" and resid 17   and name  HG1 ))
   (( segid "   A" and resid 17   and name  HD2 ))
 or   
   (( segid "   A" and resid 7    and name  HD1 ))
   (( segid "   A" and resid 17   and name  HG1 ))
 or   
   (( segid "   A" and resid 7    and name  HD2 ))
   (( segid "   A" and resid 17   and name  HG1 ))

 assi 
   (( segid "   A" and resid 14   and name  HB1 ))
   (( segid "   A" and resid 14   and name  HN  ))
      3.327     0.665     0.665
 or   
   (( segid "   A" and resid 14   and name  HB2 ))
   (( segid "   A" and resid 14   and name  HN  ))

 assi 
   (( segid "   A" and resid 32   and name  HB2 ))
   (( segid "   A" and resid 32   and name  HG1 ))
      2.625     0.525     0.525
 or   
   (( segid "   A" and resid 32   and name  HB2 ))
   (( segid "   A" and resid 32   and name  HG2 ))

 assi 
   (( segid "   A" and resid 3    and name  HD1 ))
   (( segid "   A" and resid 3    and name  HG1 ))
      3.045     0.609     0.609
 or   
   (( segid "   A" and resid 25   and name  HA  ))
   (( segid "   A" and resid 25   and name  HB2 ))
 or   
   (( segid "   A" and resid 3    and name  HD1 ))
   (( segid "   A" and resid 25   and name  HB1 ))
 or   
   (( segid "   A" and resid 3    and name  HD2 ))
   (( segid "   A" and resid 25   and name  HB1 ))
 or   
   (( segid "   A" and resid 3    and name  HG1 ))
   (( segid "   A" and resid 25   and name  HA  ))
 or   
   (( segid "   A" and resid 3    and name  HD2 ))
   (( segid "   A" and resid 3    and name  HG1 ))
 or   
   (( segid "   A" and resid 3    and name  HD1 ))
   (( segid "   A" and resid 25   and name  HB2 ))
 or   
   (( segid "   A" and resid 25   and name  HA  ))
   (( segid "   A" and resid 25   and name  HB1 ))
 or   
   (( segid "   A" and resid 3    and name  HD2 ))
   (( segid "   A" and resid 25   and name  HB2 ))

 assi 
   (  segid "   A" and resid 8    and name  HE# )
   (( segid "   A" and resid 12   and name  HG2 ))
      3.650     0.730     0.730
 or   
   (  segid "   A" and resid 8    and name  HE# )
   (( segid "   A" and resid 12   and name  HG1 ))
 or   
   (  segid "   A" and resid 8    and name  HE# )
   (( segid "   A" and resid 11   and name  HB2 ))

 assi 
   (( segid "   A" and resid 25   and name  HB2 ))
   (( segid "   A" and resid 26   and name  HG1 ))
      2.650     0.530     0.530
 or   
   (( segid "   A" and resid 26   and name  HG1 ))
   (( segid "   A" and resid 26   and name  HB2 ))
 or   
   (( segid "   A" and resid 25   and name  HB1 ))
   (( segid "   A" and resid 26   and name  HG1 ))

 assi 
   (( segid "   A" and resid 5    and name  HG2 ))
   (( segid "   A" and resid 5    and name  HE21))
      3.439     0.688     0.688
 or   
   (( segid "   A" and resid 5    and name  HG1 ))
   (( segid "   A" and resid 5    and name  HE21))
 or   
   (( segid "   A" and resid 5    and name  HG2 ))
   (( segid "   A" and resid 25   and name  HN  ))
 or   
   (( segid "   A" and resid 5    and name  HG1 ))
   (( segid "   A" and resid 25   and name  HN  ))

 assi 
   (( segid "   A" and resid 7    and name  HG1 ))
   (( segid "   A" and resid 30   and name  HB1 ))
      2.677     0.535     0.535
 or   
   (( segid "   A" and resid 30   and name  HB2 ))
   (( segid "   A" and resid 30   and name  HB1 ))
 or   
   (( segid "   A" and resid 7    and name  HB1 ))
   (( segid "   A" and resid 7    and name  HG1 ))
 or   
   (( segid "   A" and resid 7    and name  HB1 ))
   (( segid "   A" and resid 30   and name  HB2 ))

 assi 
   (( segid "   A" and resid 26   and name  HA  ))
   (  segid "   A" and resid 26   and name  HE# )
      3.137     0.627     0.627
 or   
   (( segid "   A" and resid 26   and name  HB1 ))
   (( segid "   A" and resid 26   and name  HA  ))

 assi 
   (( segid "   A" and resid 5    and name  HB1 ))
   (( segid "   A" and resid 5    and name  HG1 ))
      2.915     0.583     0.583
 or   
   (( segid "   A" and resid 5    and name  HB1 ))
   (( segid "   A" and resid 5    and name  HG2 ))
 or   
   (( segid "   A" and resid 5    and name  HB2 ))
   (( segid "   A" and resid 5    and name  HG1 ))
 or   
   (( segid "   A" and resid 5    and name  HB2 ))
   (( segid "   A" and resid 5    and name  HG2 ))

 assi 
   (( segid "   A" and resid 5    and name  HB1 ))
   (( segid "   A" and resid 2    and name  HB2 ))
      4.207     0.841     0.841
 or   
   (( segid "   A" and resid 5    and name  HB2 ))
   (( segid "   A" and resid 2    and name  HB2 ))

 assi 
   (( segid "   A" and resid 5    and name  HA  ))
   (( segid "   A" and resid 5    and name  HB2 ))
      2.927     0.585     0.585
 or   
   (( segid "   A" and resid 5    and name  HA  ))
   (( segid "   A" and resid 5    and name  HB1 ))

 assi 
   (( segid "   A" and resid 7    and name  HD1 ))
   (( segid "   A" and resid 17   and name  HG2 ))
      3.544     0.709     0.709
 or   
   (( segid "   A" and resid 17   and name  HG2 ))
   (( segid "   A" and resid 17   and name  HD2 ))
 or   
   (( segid "   A" and resid 17   and name  HG1 ))
   (( segid "   A" and resid 17   and name  HD2 ))
 or   
   (( segid "   A" and resid 7    and name  HD1 ))
   (( segid "   A" and resid 17   and name  HG1 ))

 assi 
   (( segid "   A" and resid 25   and name  HG2 ))
   (( segid "   A" and resid 25   and name  HB1 ))
      2.921     0.584     0.584
 or   
   (( segid "   A" and resid 25   and name  HG2 ))
   (( segid "   A" and resid 25   and name  HB2 ))
 or   
   (( segid "   A" and resid 25   and name  HG2 ))
   (( segid "   A" and resid 26   and name  HB2 ))

 assi 
   (( segid "   A" and resid 7    and name  HB1 ))
   (( segid "   A" and resid 6    and name  HN  ))
      3.505     0.701     0.701
 or   
   (( segid "   A" and resid 18   and name  HB  ))
   (( segid "   A" and resid 18   and name  HN  ))
 or   
   (( segid "   A" and resid 7    and name  HB1 ))
   (( segid "   A" and resid 18   and name  HN  ))
 or   
   (( segid "   A" and resid 18   and name  HB  ))
   (( segid "   A" and resid 6    and name  HN  ))

 assi 
   (( segid "   A" and resid 32   and name  HG2 ))
   (( segid "   A" and resid 32   and name  HA  ))
      3.521     0.704     0.704
 or   
   (( segid "   A" and resid 32   and name  HG1 ))
   (( segid "   A" and resid 32   and name  HA  ))

 assi 
   (( segid "   A" and resid 3    and name  HD1 ))
   (( segid "   A" and resid 3    and name  HB2 ))
      3.986     0.797     0.797
 or   
   (( segid "   A" and resid 3    and name  HD2 ))
   (( segid "   A" and resid 3    and name  HB2 ))

 assi 
   (( segid "   A" and resid 29   and name  HD2 ))
   (( segid "   A" and resid 28   and name  HA  ))
      3.621     0.724     0.724
 or   
   (( segid "   A" and resid 29   and name  HD2 ))
   (( segid "   A" and resid 29   and name  HA  ))

 assi 
   (( segid "   A" and resid 7    and name  HB2 ))
   (( segid "   A" and resid 17   and name  HG2 ))
      3.195     0.639     0.639
 or   
   (( segid "   A" and resid 7    and name  HB2 ))
   (( segid "   A" and resid 7    and name  HG2 ))
 or   
   (( segid "   A" and resid 17   and name  HG1 ))
   (( segid "   A" and resid 17   and name  HB2 ))
 or   
   (( segid "   A" and resid 7    and name  HG2 ))
   (( segid "   A" and resid 17   and name  HB2 ))
 or   
   (( segid "   A" and resid 17   and name  HG2 ))
   (( segid "   A" and resid 17   and name  HB2 ))
 or   
   (( segid "   A" and resid 7    and name  HB2 ))
   (( segid "   A" and resid 17   and name  HG1 ))

 assi 
   (( segid "   A" and resid 5    and name  HA  ))
   (( segid "   A" and resid 5    and name  HG2 ))
      3.054     0.611     0.611
 or   
   (( segid "   A" and resid 5    and name  HA  ))
   (( segid "   A" and resid 5    and name  HG1 ))

 assi 
   (( segid "   A" and resid 7    and name  HG1 ))
   (( segid "   A" and resid 7    and name  HD1 ))
      3.567     0.713     0.713
 or   
   (( segid "   A" and resid 7    and name  HG1 ))
   (( segid "   A" and resid 7    and name  HD2 ))

 assi 
   (( segid "   A" and resid 17   and name  HG1 ))
   (( segid "   A" and resid 17   and name  HA  ))
      3.259     0.652     0.652
 or   
   (( segid "   A" and resid 17   and name  HG2 ))
   (( segid "   A" and resid 17   and name  HA  ))

 assi 
   (( segid "   A" and resid 18   and name  HB  ))
   (( segid "   A" and resid 6    and name  HN  ))
      3.526     0.705     0.705
 or   
   (( segid "   A" and resid 7    and name  HB1 ))
   (( segid "   A" and resid 18   and name  HN  ))
 or   
   (( segid "   A" and resid 7    and name  HB2 ))
   (( segid "   A" and resid 6    and name  HN  ))
 or   
   (( segid "   A" and resid 7    and name  HB2 ))
   (( segid "   A" and resid 18   and name  HN  ))
 or   
   (( segid "   A" and resid 18   and name  HB  ))
   (( segid "   A" and resid 18   and name  HN  ))
 or   
   (( segid "   A" and resid 7    and name  HB1 ))
   (( segid "   A" and resid 6    and name  HN  ))

 assi 
   (  segid "   A" and resid 30   and name  HD1#)
   (( segid "   A" and resid 31   and name  HG2 ))
      3.633     0.727     0.727
 or   
   (  segid "   A" and resid 30   and name  HD1#)
   (( segid "   A" and resid 31   and name  HB2 ))

 assi 
   (( segid "   A" and resid 30   and name  HB1 ))
   (( segid "   A" and resid 30   and name  HG  ))
      3.307     0.661     0.661
 or   
   (( segid "   A" and resid 7    and name  HD1 ))
   (( segid "   A" and resid 30   and name  HB1 ))

 assi 
   (  segid "   A" and resid 30   and name  HD2#)
   (( segid "   A" and resid 31   and name  HB2 ))
      3.902     0.780     0.780
 or   
   (  segid "   A" and resid 30   and name  HD2#)
   (( segid "   A" and resid 31   and name  HG2 ))

 assi 
   (( segid "   A" and resid 11   and name  HB1 ))
   (( segid "   A" and resid 11   and name  HG1 ))
      2.766     0.553     0.553
 or   
   (( segid "   A" and resid 11   and name  HG2 ))
   (( segid "   A" and resid 11   and name  HG1 ))

 assi 
   (  segid "   A" and resid 8    and name  HD# )
   (( segid "   A" and resid 11   and name  HB2 ))
      4.083     0.817     0.817
 or   
   (  segid "   A" and resid 8    and name  HD# )
   (( segid "   A" and resid 12   and name  HG1 ))
 or   
   (  segid "   A" and resid 8    and name  HD# )
   (( segid "   A" and resid 12   and name  HG2 ))

 assi 
   (( segid "   A" and resid 3    and name  HB2 ))
   (( segid "   A" and resid 3    and name  HG2 ))
      2.904     0.581     0.581
 or   
   (( segid "   A" and resid 4    and name  HG1 ))
   (( segid "   A" and resid 4    and name  HB2 ))
 or   
   (( segid "   A" and resid 3    and name  HB2 ))
   (( segid "   A" and resid 4    and name  HB2 ))
 or   
   (( segid "   A" and resid 4    and name  HG2 ))
   (( segid "   A" and resid 3    and name  HG2 ))
 or   
   (( segid "   A" and resid 4    and name  HG2 ))
   (( segid "   A" and resid 4    and name  HB1 ))
 or   
   (( segid "   A" and resid 4    and name  HG1 ))
   (( segid "   A" and resid 4    and name  HB1 ))
 or   
   (( segid "   A" and resid 4    and name  HG1 ))
   (( segid "   A" and resid 3    and name  HG2 ))
 or   
   (( segid "   A" and resid 4    and name  HG2 ))
   (( segid "   A" and resid 4    and name  HB2 ))
 or   
   (( segid "   A" and resid 3    and name  HB2 ))
   (( segid "   A" and resid 4    and name  HB1 ))

 assi 
   (( segid "   A" and resid 14   and name  HB2 ))
   (( segid "   A" and resid 15   and name  HN  ))
      3.458     0.692     0.692
 or   
   (( segid "   A" and resid 14   and name  HB1 ))
   (( segid "   A" and resid 15   and name  HN  ))

 assi 
   (( segid "   A" and resid 14   and name  HB1 ))
   (( segid "   A" and resid 14   and name  HD22))
      4.144     0.829     0.829
 or   
   (( segid "   A" and resid 14   and name  HB2 ))
   (( segid "   A" and resid 14   and name  HD22))

 assi 
   (( segid "   A" and resid 12   and name  HB2 ))
   (( segid "   A" and resid 13   and name  HN  ))
      4.291     0.858     0.858
 or   
   (( segid "   A" and resid 7    and name  HB1 ))
   (( segid "   A" and resid 13   and name  HN  ))

 assi 
   (( segid "   A" and resid 25   and name  HG1 ))
   (( segid "   A" and resid 25   and name  HB2 ))
      3.266     0.653     0.653
 or   
   (( segid "   A" and resid 26   and name  HG2 ))
   (( segid "   A" and resid 26   and name  HB2 ))
 or   
   (( segid "   A" and resid 25   and name  HB2 ))
   (( segid "   A" and resid 26   and name  HG2 ))
 or   
   (( segid "   A" and resid 25   and name  HG1 ))
   (( segid "   A" and resid 26   and name  HB2 ))
 or   
   (( segid "   A" and resid 25   and name  HB1 ))
   (( segid "   A" and resid 26   and name  HG2 ))
 or   
   (( segid "   A" and resid 25   and name  HG1 ))
   (( segid "   A" and resid 25   and name  HB1 ))

 assi 
   (( segid "   A" and resid 11   and name  HB2 ))
   (( segid "   A" and resid 11   and name  HG2 ))
      2.520     0.504     0.504
 or   
   (( segid "   A" and resid 11   and name  HB2 ))
   (( segid "   A" and resid 11   and name  HB1 ))

 assi 
   (( segid "   A" and resid 14   and name  HB1 ))
   (( segid "   A" and resid 14   and name  HD21))
      3.763     0.753     0.753
 or   
   (( segid "   A" and resid 14   and name  HB2 ))
   (( segid "   A" and resid 14   and name  HD21))

 assi 
   (( segid "   A" and resid 12   and name  HG2 ))
   (( segid "   A" and resid 12   and name  HA  ))
      2.931     0.586     0.586
 or   
   (( segid "   A" and resid 12   and name  HG1 ))
   (( segid "   A" and resid 12   and name  HA  ))

 assi 
   (( segid "   A" and resid 7    and name  HB1 ))
   (( segid "   A" and resid 7    and name  HD1 ))
      3.438     0.688     0.688
 or   
   (( segid "   A" and resid 7    and name  HB1 ))
   (( segid "   A" and resid 17   and name  HD2 ))
 or   
   (( segid "   A" and resid 17   and name  HB2 ))
   (( segid "   A" and resid 17   and name  HD2 ))
 or   
   (( segid "   A" and resid 7    and name  HD1 ))
   (( segid "   A" and resid 17   and name  HB2 ))
 or   
   (( segid "   A" and resid 17   and name  HD2 ))
   (( segid "   A" and resid 30   and name  HB1 ))
 or   
   (( segid "   A" and resid 7    and name  HD1 ))
   (( segid "   A" and resid 30   and name  HB1 ))

 assi 
   (( segid "   A" and resid 32   and name  HB1 ))
   (( segid "   A" and resid 32   and name  HG1 ))
      3.065     0.613     0.613
 or   
   (( segid "   A" and resid 29   and name  HB2 ))
   (( segid "   A" and resid 29   and name  HG1 ))
 or   
   (( segid "   A" and resid 29   and name  HG1 ))
   (( segid "   A" and resid 32   and name  HG1 ))
 or   
   (( segid "   A" and resid 32   and name  HB1 ))
   (( segid "   A" and resid 32   and name  HG2 ))
 or   
   (( segid "   A" and resid 29   and name  HB2 ))
   (( segid "   A" and resid 32   and name  HB1 ))
 or   
   (( segid "   A" and resid 29   and name  HG1 ))
   (( segid "   A" and resid 32   and name  HG2 ))

 assi 
   (( segid "   A" and resid 22   and name  HG1 ))
   (( segid "   A" and resid 25   and name  HN  ))
      3.956     0.791     0.791
 or   
   (( segid "   A" and resid 4    and name  HG2 ))
   (( segid "   A" and resid 4    and name  HE21))
 or   
   (( segid "   A" and resid 4    and name  HG1 ))
   (( segid "   A" and resid 25   and name  HN  ))
 or   
   (( segid "   A" and resid 22   and name  HG1 ))
   (( segid "   A" and resid 4    and name  HE21))
 or   
   (( segid "   A" and resid 4    and name  HG1 ))
   (( segid "   A" and resid 4    and name  HE21))
 or   
   (( segid "   A" and resid 4    and name  HG2 ))
   (( segid "   A" and resid 25   and name  HN  ))

 assi 
   (( segid "   A" and resid 11   and name  HA  ))
   (( segid "   A" and resid 11   and name  HG2 ))
      2.977     0.595     0.595
 or   
   (( segid "   A" and resid 11   and name  HB1 ))
   (( segid "   A" and resid 11   and name  HA  ))

 assi 
   (( segid "   A" and resid 29   and name  HG1 ))
   (( segid "   A" and resid 32   and name  HB2 ))
      2.423     0.485     0.485
 or   
   (( segid "   A" and resid 29   and name  HG2 ))
   (( segid "   A" and resid 32   and name  HB1 ))
 or   
   (( segid "   A" and resid 29   and name  HG2 ))
   (( segid "   A" and resid 29   and name  HG1 ))
 or   
   (( segid "   A" and resid 32   and name  HB2 ))
   (( segid "   A" and resid 32   and name  HB1 ))

 assi 
   (( segid "   A" and resid 4    and name  HA  ))
   (( segid "   A" and resid 4    and name  HB2 ))
      2.725     0.545     0.545
 or   
   (( segid "   A" and resid 4    and name  HA  ))
   (( segid "   A" and resid 4    and name  HB1 ))

 assi 
   (( segid "   A" and resid 3    and name  HD2 ))
   (( segid "   A" and resid 2    and name  HA  ))
      2.756     0.551     0.551
 or   
   (( segid "   A" and resid 3    and name  HD1 ))
   (( segid "   A" and resid 2    and name  HA  ))

 assi 
   (( segid "   A" and resid 4    and name  HG1 ))
   (( segid "   A" and resid 4    and name  HB2 ))
      2.819     0.564     0.564
 or   
   (( segid "   A" and resid 4    and name  HG2 ))
   (( segid "   A" and resid 4    and name  HB2 ))
 or   
   (( segid "   A" and resid 4    and name  HG1 ))
   (( segid "   A" and resid 4    and name  HB1 ))
 or   
   (( segid "   A" and resid 4    and name  HG2 ))
   (( segid "   A" and resid 4    and name  HB1 ))

 assi 
   (( segid "   A" and resid 25   and name  HG2 ))
   (( segid "   A" and resid 25   and name  HB1 ))
      3.041     0.608     0.608
 or   
   (( segid "   A" and resid 26   and name  HG2 ))
   (( segid "   A" and resid 26   and name  HB2 ))
 or   
   (( segid "   A" and resid 25   and name  HB2 ))
   (( segid "   A" and resid 26   and name  HG2 ))
 or   
   (( segid "   A" and resid 25   and name  HG2 ))
   (( segid "   A" and resid 26   and name  HB2 ))
 or   
   (( segid "   A" and resid 25   and name  HB1 ))
   (( segid "   A" and resid 26   and name  HG2 ))
 or   
   (( segid "   A" and resid 25   and name  HG2 ))
   (( segid "   A" and resid 25   and name  HB2 ))
 ASSIGN  (segid "   A" and resid 16   and name C   ) (segid "   A" and resid 17   and name N   )
         (segid "   A" and resid 17   and name CA  ) (segid "   A" and resid 17   and name C   )  1.00 -118.01 61.99 2

 ASSIGN  (segid "   A" and resid 17   and name N   ) (segid "   A" and resid 17   and name CA  )
         (segid "   A" and resid 17   and name C   ) (segid "   A" and resid 18   and name N   )  1.00 151.59 61.59 2

 ASSIGN  (segid "   A" and resid 23   and name C   ) (segid "   A" and resid 24   and name N   )
         (segid "   A" and resid 24   and name CA  ) (segid "   A" and resid 24   and name C   )  1.00 -63.93 26.07 2

 ASSIGN  (segid "   A" and resid 26   and name N   ) (segid "   A" and resid 26   and name CA  )
         (segid "   A" and resid 26   and name C   ) (segid "   A" and resid 27   and name N   )  1.00 -25.61 34.39 2

 ASSIGN  (segid "   A" and resid 20   and name N   ) (segid "   A" and resid 20   and name CA  )
         (segid "   A" and resid 20   and name C   ) (segid "   A" and resid 21   and name N   )  1.00 -24.42 45.58 2

 ASSIGN  (segid "   A" and resid 15   and name C   ) (segid "   A" and resid 16   and name N   )
         (segid "   A" and resid 16   and name CA  ) (segid "   A" and resid 16   and name C   )  1.00 -61.85 28.15 2

 ASSIGN  (segid "   A" and resid 8    and name N   ) (segid "   A" and resid 8    and name CA  )
         (segid "   A" and resid 8    and name C   ) (segid "   A" and resid 9    and name N   )  1.00 -35.95 34.05 2

 ASSIGN  (segid "   A" and resid 3    and name C   ) (segid "   A" and resid 4    and name N   )
         (segid "   A" and resid 4    and name CA  ) (segid "   A" and resid 4    and name C   )  1.00 -59.99 30.01 2

 ASSIGN  (segid "   A" and resid 14   and name N   ) (segid "   A" and resid 14   and name CA  )
         (segid "   A" and resid 14   and name C   ) (segid "   A" and resid 15   and name N   )  1.00 -44.74 15.26 2

 ASSIGN  (segid "   A" and resid 15   and name N   ) (segid "   A" and resid 15   and name CA  )
         (segid "   A" and resid 15   and name C   ) (segid "   A" and resid 16   and name N   )  1.00 -44.91 15.09 2

 ASSIGN  (segid "   A" and resid 28   and name N   ) (segid "   A" and resid 28   and name CA  )
         (segid "   A" and resid 28   and name C   ) (segid "   A" and resid 29   and name N   )  1.00 -45.00 -15.00 2

 ASSIGN  (segid "   A" and resid 11   and name N   ) (segid "   A" and resid 11   and name CA  )
         (segid "   A" and resid 11   and name C   ) (segid "   A" and resid 12   and name N   )  1.00 -44.25 25.75 2

 ASSIGN  (segid "   A" and resid 7    and name N   ) (segid "   A" and resid 7    and name CA  )
         (segid "   A" and resid 7    and name C   ) (segid "   A" and resid 8    and name N   )  1.00 -43.87 26.13 2

 ASSIGN  (segid "   A" and resid 21   and name N   ) (segid "   A" and resid 21   and name CA  )
         (segid "   A" and resid 21   and name C   ) (segid "   A" and resid 22   and name N   )  1.00 -44.79 25.21 2

 ASSIGN  (segid "   A" and resid 29   and name N   ) (segid "   A" and resid 29   and name CA  )
         (segid "   A" and resid 29   and name C   ) (segid "   A" and resid 30   and name N   )  1.00 -35.83 24.17 2

 ASSIGN  (segid "   A" and resid 21   and name C   ) (segid "   A" and resid 22   and name N   )
         (segid "   A" and resid 22   and name CA  ) (segid "   A" and resid 22   and name C   )  1.00 -64.65 25.35 2

 ASSIGN  (segid "   A" and resid 11   and name C   ) (segid "   A" and resid 12   and name N   )
         (segid "   A" and resid 12   and name CA  ) (segid "   A" and resid 12   and name C   )  1.00 -64.41 15.59 2

 ASSIGN  (segid "   A" and resid 27   and name C   ) (segid "   A" and resid 28   and name N   )
         (segid "   A" and resid 28   and name CA  ) (segid "   A" and resid 28   and name C   )  1.00 -57.00 123.00 2

 ASSIGN  (segid "   A" and resid 24   and name C   ) (segid "   A" and resid 25   and name N   )
         (segid "   A" and resid 25   and name CA  ) (segid "   A" and resid 25   and name C   )  1.00 -61.79 28.21 2

 ASSIGN  (segid "   A" and resid 4    and name C   ) (segid "   A" and resid 5    and name N   )
         (segid "   A" and resid 5    and name CA  ) (segid "   A" and resid 5    and name C   )  1.00 -64.72 25.28 2

 ASSIGN  (segid "   A" and resid 12   and name C   ) (segid "   A" and resid 13   and name N   )
         (segid "   A" and resid 13   and name CA  ) (segid "   A" and resid 13   and name C   )  1.00 -64.60 25.40 2

 ASSIGN  (segid "   A" and resid 26   and name C   ) (segid "   A" and resid 27   and name N   )
         (segid "   A" and resid 27   and name CA  ) (segid "   A" and resid 27   and name C   )  1.00 -75.02 34.98 2

 ASSIGN  (segid "   A" and resid 6    and name N   ) (segid "   A" and resid 6    and name CA  )
         (segid "   A" and resid 6    and name C   ) (segid "   A" and resid 7    and name N   )  1.00 -44.72 25.28 2

 ASSIGN  (segid "   A" and resid 12   and name N   ) (segid "   A" and resid 12   and name CA  )
         (segid "   A" and resid 12   and name C   ) (segid "   A" and resid 13   and name N   )  1.00 -44.56 25.44 2

 ASSIGN  (segid "   A" and resid 18   and name C   ) (segid "   A" and resid 19   and name N   )
         (segid "   A" and resid 19   and name CA  ) (segid "   A" and resid 19   and name C   )  1.00 -55.11 24.89 2

 ASSIGN  (segid "   A" and resid 23   and name N   ) (segid "   A" and resid 23   and name CA  )
         (segid "   A" and resid 23   and name C   ) (segid "   A" and resid 24   and name N   )  1.00 -44.78 25.22 2

 ASSIGN  (segid "   A" and resid 5    and name N   ) (segid "   A" and resid 5    and name CA  )
         (segid "   A" and resid 5    and name C   ) (segid "   A" and resid 6    and name N   )  1.00 -43.50 16.50 2

 ASSIGN  (segid "   A" and resid 30   and name N   ) (segid "   A" and resid 30   and name CA  )
         (segid "   A" and resid 30   and name C   ) (segid "   A" and resid 31   and name N   )  1.00 -41.35 28.65 2

 ASSIGN  (segid "   A" and resid 10   and name N   ) (segid "   A" and resid 10   and name CA  )
         (segid "   A" and resid 10   and name C   ) (segid "   A" and resid 11   and name N   )  1.00 -44.64 25.36 2

 ASSIGN  (segid "   A" and resid 30   and name C   ) (segid "   A" and resid 31   and name N   )
         (segid "   A" and resid 31   and name CA  ) (segid "   A" and resid 31   and name C   )  1.00 -62.15 17.85 2

 ASSIGN  (segid "   A" and resid 9    and name C   ) (segid "   A" and resid 10   and name N   )
         (segid "   A" and resid 10   and name CA  ) (segid "   A" and resid 10   and name C   )  1.00 -64.16 15.84 2

 ASSIGN  (segid "   A" and resid 17   and name C   ) (segid "   A" and resid 18   and name N   )
         (segid "   A" and resid 18   and name CA  ) (segid "   A" and resid 18   and name C   )  1.00 -117.82 42.18 2

 ASSIGN  (segid "   A" and resid 14   and name C   ) (segid "   A" and resid 15   and name N   )
         (segid "   A" and resid 15   and name CA  ) (segid "   A" and resid 15   and name C   )  1.00 -64.97 25.03 2

 ASSIGN  (segid "   A" and resid 10   and name C   ) (segid "   A" and resid 11   and name N   )
         (segid "   A" and resid 11   and name CA  ) (segid "   A" and resid 11   and name C   )  1.00 -64.18 25.82 2

 ASSIGN  (segid "   A" and resid 8    and name C   ) (segid "   A" and resid 9    and name N   )
         (segid "   A" and resid 9    and name CA  ) (segid "   A" and resid 9    and name C   )  1.00 -64.94 25.06 2

 ASSIGN  (segid "   A" and resid 25   and name C   ) (segid "   A" and resid 26   and name N   )
         (segid "   A" and resid 26   and name CA  ) (segid "   A" and resid 26   and name C   )  1.00 -65.05 24.95 2

 ASSIGN  (segid "   A" and resid 19   and name C   ) (segid "   A" and resid 20   and name N   )
         (segid "   A" and resid 20   and name CA  ) (segid "   A" and resid 20   and name C   )  1.00 -64.36 25.64 2

 ASSIGN  (segid "   A" and resid 28   and name C   ) (segid "   A" and resid 29   and name N   )
         (segid "   A" and resid 29   and name CA  ) (segid "   A" and resid 29   and name C   )  1.00 -55.76 24.24 2

 ASSIGN  (segid "   A" and resid 7    and name C   ) (segid "   A" and resid 8    and name N   )
         (segid "   A" and resid 8    and name CA  ) (segid "   A" and resid 8    and name C   )  1.00 -62.29 27.71 2

 ASSIGN  (segid "   A" and resid 6    and name C   ) (segid "   A" and resid 7    and name N   )
         (segid "   A" and resid 7    and name CA  ) (segid "   A" and resid 7    and name C   )  1.00 -64.00 16.00 2

 ASSIGN  (segid "   A" and resid 9    and name N   ) (segid "   A" and resid 9    and name CA  )
         (segid "   A" and resid 9    and name C   ) (segid "   A" and resid 10   and name N   )  1.00 -44.63 25.37 2

 ASSIGN  (segid "   A" and resid 5    and name C   ) (segid "   A" and resid 6    and name N   )
         (segid "   A" and resid 6    and name CA  ) (segid "   A" and resid 6    and name C   )  1.00 -64.71 15.29 2

 ASSIGN  (segid "   A" and resid 22   and name N   ) (segid "   A" and resid 22   and name CA  )
         (segid "   A" and resid 22   and name C   ) (segid "   A" and resid 23   and name N   )  1.00 -42.22 27.78 2

 ASSIGN  (segid "   A" and resid 25   and name N   ) (segid "   A" and resid 25   and name CA  )
         (segid "   A" and resid 25   and name C   ) (segid "   A" and resid 26   and name N   )  1.00 -43.77 26.23 2

 ASSIGN  (segid "   A" and resid 3    and name N   ) (segid "   A" and resid 3    and name CA  )
         (segid "   A" and resid 3    and name C   ) (segid "   A" and resid 4    and name N   )  1.00 -41.88 28.12 2

 ASSIGN  (segid "   A" and resid 18   and name N   ) (segid "   A" and resid 18   and name CA  )
         (segid "   A" and resid 18   and name C   ) (segid "   A" and resid 19   and name N   )  1.00 124.72 34.72 2

 ASSIGN  (segid "   A" and resid 16   and name N   ) (segid "   A" and resid 16   and name CA  )
         (segid "   A" and resid 16   and name C   ) (segid "   A" and resid 17   and name N   )  1.00 -43.88 26.12 2

 ASSIGN  (segid "   A" and resid 19   and name N   ) (segid "   A" and resid 19   and name CA  )
         (segid "   A" and resid 19   and name C   ) (segid "   A" and resid 20   and name N   )  1.00 137.07 17.07 2

 ASSIGN  (segid "   A" and resid 27   and name N   ) (segid "   A" and resid 27   and name CA  )
         (segid "   A" and resid 27   and name C   ) (segid "   A" and resid 28   and name N   )  1.00 -33.11 36.89 2

 ASSIGN  (segid "   A" and resid 4    and name N   ) (segid "   A" and resid 4    and name CA  )
         (segid "   A" and resid 4    and name C   ) (segid "   A" and resid 5    and name N   )  1.00 -42.49 27.51 2

 ASSIGN  (segid "   A" and resid 29   and name C   ) (segid "   A" and resid 30   and name N   )
         (segid "   A" and resid 30   and name CA  ) (segid "   A" and resid 30   and name C   )  1.00 -57.28 32.72 2

 ASSIGN  (segid "   A" and resid 20   and name C   ) (segid "   A" and resid 21   and name N   )
         (segid "   A" and resid 21   and name CA  ) (segid "   A" and resid 21   and name C   )  1.00 -57.81 22.19 2

 ASSIGN  (segid "   A" and resid 2    and name C   ) (segid "   A" and resid 3    and name N   )
         (segid "   A" and resid 3    and name CA  ) (segid "   A" and resid 3    and name C   )  1.00 -59.22 30.78 2

 ASSIGN  (segid "   A" and resid 13   and name N   ) (segid "   A" and resid 13   and name CA  )
         (segid "   A" and resid 13   and name C   ) (segid "   A" and resid 14   and name N   )  1.00 -42.42 17.58 2

 ASSIGN  (segid "   A" and resid 22   and name C   ) (segid "   A" and resid 23   and name N   )
         (segid "   A" and resid 23   and name CA  ) (segid "   A" and resid 23   and name C   )  1.00 -64.91 25.09 2

 ASSIGN  (segid "   A" and resid 31   and name N   ) (segid "   A" and resid 31   and name CA  )
         (segid "   A" and resid 31   and name C   ) (segid "   A" and resid 32   and name N   )  1.00 -42.89 27.11 2

 ASSIGN  (segid "   A" and resid 13   and name C   ) (segid "   A" and resid 14   and name N   )
         (segid "   A" and resid 14   and name CA  ) (segid "   A" and resid 14   and name C   )  1.00 -64.88 15.12 2

 ASSIGN  (segid "   A" and resid 24   and name N   ) (segid "   A" and resid 24   and name CA  )
         (segid "   A" and resid 24   and name C   ) (segid "   A" and resid 25   and name N   )  1.00 -42.70 27.30 2



# Restraints file 2: D_1000239519_mr_P1.cns.V1
 assi    (( resid 2    and name  HA  ))   (  resid 2    and name  HB# )      3.320     0.664     0.664



 assi    (( resid 2    and name  HA  ))   (( resid 2    and name  HB1 ))      3.319     0.664     0.664



 assi    (( resid 2    and name  HB1 ))   (( resid 2    and name  HN  ))      4.038     0.808     0.808



 assi    (( resid 2    and name  HA  ))   (( resid 2    and name  HN  ))      3.964     0.793     0.793



 assi    (( resid 2    and name  HB2 ))   (( resid 2    and name  HN  ))      4.071     0.814     0.814



 assi    (( resid 2    and name  HA  ))   (( resid 2    and name  HB2 ))      3.531     0.706     0.706



 assi    (( resid 3    and name  HD1 ))   (( resid 2    and name  HA  ))      3.295     0.659     0.659



 assi    (( resid 3    and name  HD2 ))   (( resid 2    and name  HA  ))      3.493     0.699     0.699



 assi    (( resid 3    and name  HG1 ))   (( resid 2    and name  HN  ))      4.093     0.819     0.819



 assi    (( resid 3    and name  HA  ))   (( resid 3    and name  HD2 ))      4.170     0.834     0.834



 assi    (( resid 3    and name  HD1 ))   (( resid 3    and name  HB2 ))      4.218     0.844     0.844



 assi    (( resid 3    and name  HB2 ))   (( resid 3    and name  HB1 ))      2.631     0.526     0.526



 assi    (( resid 3    and name  HA  ))   (( resid 3    and name  HG2 ))      3.733     0.747     0.747



 assi    (( resid 3    and name  HD2 ))   (( resid 3    and name  HD1 ))      2.619     0.524     0.524



 assi    (( resid 3    and name  HA  ))   (( resid 3    and name  HB2 ))      2.984     0.597     0.597



 assi    (( resid 3    and name  HA  ))   (( resid 3    and name  HB1 ))      3.284     0.657     0.657



 assi    (( resid 3    and name  HD2 ))   (( resid 3    and name  HB1 ))      3.854     0.771     0.771



 assi    (( resid 3    and name  HB1 ))   (( resid 3    and name  HG2 ))      2.554     0.511     0.511



 assi    (( resid 3    and name  HD2 ))   (( resid 3    and name  HG2 ))      3.487     0.697     0.697



 assi    (( resid 3    and name  HD1 ))   (( resid 3    and name  HG2 ))      3.686     0.737     0.737



 assi    (  resid 3    and name  HD# )   (( resid 3    and name  HB1 ))      3.735     0.747     0.747



 assi    (  resid 3    and name  HD# )   (( resid 4    and name  HN  ))      3.691     0.738     0.738



 assi    (( resid 3    and name  HA  ))   (( resid 4    and name  HN  ))      3.130     0.626     0.626



 assi    (( resid 3    and name  HA  ))   (( resid 6    and name  HN  ))      4.161     0.832     0.832



 assi    (( resid 3    and name  HA  ))   (  resid 6    and name  HB# )      3.585     0.717     0.717



 assi    (( resid 4    and name  HE21))   (( resid 4    and name  HE22))      2.103     0.383     0.421



 assi    (  resid 4    and name  HG# )   (( resid 4    and name  HN  ))      3.553     0.711     0.711



 assi    (  resid 4    and name  HB# )   (( resid 4    and name  HN  ))      2.884     0.577     0.577



 assi    (  resid 4    and name  HG# )   (( resid 4    and name  HA  ))      3.324     0.665     0.665



 assi    (( resid 4    and name  HA  ))   (( resid 4    and name  HN  ))      3.173     0.635     0.635



 assi    (( resid 4    and name  HG1 ))   (( resid 5    and name  HN  ))      4.334     0.867     0.867



 assi    (( resid 4    and name  HA  ))   (( resid 5    and name  HN  ))      3.274     0.655     0.655



 assi    (( resid 4    and name  HB2 ))   (( resid 5    and name  HN  ))      3.384     0.677     0.677



 assi    (( resid 4    and name  HA  ))   (( resid 7    and name  HN  ))      3.709     0.742     0.742



 assi    (( resid 4    and name  HA  ))   (( resid 7    and name  HB2 ))      3.867     0.773     0.773



 assi    (( resid 5    and name  HN  ))   (( resid 4    and name  HN  ))      3.345     0.669     0.669



 assi    (  resid 5    and name  HG# )   (( resid 5    and name  HE22))      4.194     0.839     0.839



 assi    (  resid 5    and name  HG# )   (( resid 5    and name  HN  ))      3.407     0.681     0.681



 assi    (( resid 5    and name  HB2 ))   (( resid 5    and name  HN  ))      3.212     0.642     0.642



 assi    (( resid 5    and name  HG2 ))   (( resid 5    and name  HN  ))      3.613     0.723     0.723



 assi    (( resid 5    and name  HE21))   (( resid 5    and name  HE22))      2.072     0.352     0.414



 assi    (  resid 5    and name  HB# )   (( resid 5    and name  HN  ))      2.981     0.596     0.596



 assi    (( resid 5    and name  HA  ))   (( resid 5    and name  HN  ))      3.331     0.666     0.666



 assi    (( resid 5    and name  HA  ))   (( resid 6    and name  HN  ))      3.309     0.662     0.662



 assi    (( resid 5    and name  HB2 ))   (( resid 6    and name  HN  ))      3.376     0.675     0.675



 assi    (( resid 5    and name  HA  ))   (( resid 7    and name  HN  ))      4.030     0.806     0.806



 assi    (( resid 5    and name  HA  ))   (( resid 8    and name  HB1 ))      3.592     0.718     0.718



 assi    (( resid 5    and name  HA  ))   (( resid 8    and name  HN  ))      4.021     0.804     0.804



 assi    (( resid 5    and name  HA  ))   (  resid 8    and name  HD# )      3.839     0.768     0.768



 assi    (( resid 5    and name  HA  ))   (( resid 8    and name  HB2 ))      3.745     0.749     0.749



 assi    (( resid 6    and name  HN  ))   (( resid 5    and name  HN  ))      3.137     0.627     0.627



 assi    (( resid 6    and name  HA  ))   (( resid 6    and name  HN  ))      3.294     0.659     0.659



 assi    (  resid 6    and name  HB# )   (( resid 6    and name  HN  ))      2.824     0.565     0.565



 assi    (( resid 6    and name  HA  ))   (  resid 6    and name  HB# )      2.801     0.560     0.560



 assi    (( resid 6    and name  HN  ))   (( resid 7    and name  HN  ))      3.130     0.626     0.626



 assi    (  resid 6    and name  HB# )   (( resid 7    and name  HN  ))      3.147     0.629     0.629



 assi    (( resid 6    and name  HA  ))   (( resid 7    and name  HN  ))      3.807     0.761     0.761



 assi    (( resid 6    and name  HA  ))   (( resid 9    and name  HB1 ))      3.292     0.658     0.658



 assi    (  resid 6    and name  HB# )   (( resid 9    and name  HB1 ))      4.160     0.832     0.832



 assi    (( resid 6    and name  HA  ))   (( resid 9    and name  HN  ))      3.785     0.757     0.757



 assi    (  resid 6    and name  HB# )   (  resid 10   and name  HD# )      3.448     0.690     0.690



 assi    (  resid 6    and name  HB# )   (  resid 10   and name  HE# )      3.210     0.642     0.642



 assi    (( resid 6    and name  HA  ))   (  resid 10   and name  HD# )      4.096     0.819     0.819



 assi    (( resid 6    and name  HA  ))   (  resid 30   and name  HD1#)      3.208     0.642     0.642



 assi    (  resid 6    and name  HB# )   (( resid 31   and name  HG2 ))      3.346     0.669     0.669



 assi    (  resid 6    and name  HB# )   (( resid 31   and name  HA  ))      3.434     0.687     0.687



 assi    (  resid 6    and name  HB# )   (( resid 31   and name  HG1 ))      3.712     0.742     0.742



 assi    (  resid 6    and name  HB# )   (( resid 31   and name  HN  ))      4.300     0.860     0.860



 assi    (  resid 6    and name  HB# )   (( resid 31   and name  HB2 ))      3.683     0.737     0.737



 assi    (  resid 6    and name  HB# )   (( resid 31   and name  HB1 ))      3.915     0.783     0.783



 assi    (( resid 7    and name  HA  ))   (( resid 7    and name  HB2 ))      3.152     0.630     0.630



 assi    (( resid 7    and name  HA  ))   (( resid 7    and name  HB1 ))      3.387     0.677     0.677



 assi    (( resid 7    and name  HA  ))   (( resid 7    and name  HG1 ))      3.728     0.746     0.746



 assi    (( resid 7    and name  HA  ))   (( resid 7    and name  HG2 ))      3.828     0.766     0.766



 assi    (( resid 7    and name  HG1 ))   (( resid 7    and name  HE2 ))      4.194     0.839     0.839



 assi    (( resid 7    and name  HG2 ))   (( resid 7    and name  HE2 ))      4.023     0.805     0.805



 assi    (( resid 7    and name  HE2 ))   (( resid 7    and name  HD2 ))      3.584     0.717     0.717



 assi    (( resid 7    and name  HE2 ))   (( resid 7    and name  HD1 ))      3.198     0.640     0.640



 assi    (( resid 7    and name  HB1 ))   (  resid 7    and name  HD# )      3.635     0.727     0.727



 assi    (( resid 7    and name  HG2 ))   (( resid 7    and name  HG1 ))      2.787     0.557     0.557



 assi    (( resid 7    and name  HA  ))   (( resid 7    and name  HN  ))      3.340     0.668     0.668



 assi    (( resid 7    and name  HB1 ))   (( resid 7    and name  HN  ))      3.035     0.607     0.607



 assi    (( resid 7    and name  HN  ))   (( resid 8    and name  HN  ))      3.226     0.645     0.645



 assi    (( resid 7    and name  HA  ))   (( resid 8    and name  HN  ))      3.998     0.800     0.800



 assi    (  resid 7    and name  HB# )   (( resid 8    and name  HN  ))      3.484     0.697     0.697



 assi    (( resid 7    and name  HA  ))   (( resid 10   and name  HN  ))      4.054     0.811     0.811



 assi    (( resid 8    and name  HB2 ))   (( resid 8    and name  HB1 ))      2.433     0.487     0.487



 assi    (  resid 8    and name  HD# )   (  resid 8    and name  HE# )      2.390     0.478     0.478



 assi    (  resid 8    and name  HD# )   (( resid 8    and name  HB1 ))      2.915     0.583     0.583



 assi    (  resid 8    and name  HD# )   (( resid 8    and name  HB2 ))      2.952     0.590     0.590



 assi    (( resid 8    and name  HA  ))   (( resid 8    and name  HB2 ))      3.055     0.611     0.611



 assi    (  resid 8    and name  HD# )   (( resid 8    and name  HA  ))      2.990     0.598     0.598



 assi    (( resid 8    and name  HB1 ))   (( resid 8    and name  HN  ))      3.109     0.622     0.622



 assi    (( resid 8    and name  HA  ))   (( resid 8    and name  HN  ))      3.407     0.681     0.681



 assi    (( resid 8    and name  HB2 ))   (( resid 8    and name  HN  ))      3.167     0.633     0.633



 assi    (( resid 8    and name  HA  ))   (( resid 8    and name  HB1 ))      3.099     0.620     0.620



 assi    (  resid 8    and name  HD# )   (( resid 8    and name  HN  ))      4.015     0.803     0.803



 assi    (  resid 8    and name  HD# )   (( resid 9    and name  HN  ))      3.923     0.785     0.785



 assi    (( resid 8    and name  HB1 ))   (( resid 9    and name  HN  ))      3.731     0.746     0.746



 assi    (( resid 8    and name  HB2 ))   (( resid 9    and name  HN  ))      3.535     0.707     0.707



 assi    (( resid 8    and name  HA  ))   (( resid 9    and name  HN  ))      3.996     0.799     0.799



 assi    (( resid 8    and name  HA  ))   (( resid 11   and name  HB2 ))      3.514     0.703     0.703



 assi    (( resid 8    and name  HA  ))   (( resid 11   and name  HN  ))      3.774     0.755     0.755



 assi    (( resid 8    and name  HA  ))   (( resid 11   and name  HB1 ))      3.150     0.630     0.630



 assi    (  resid 8    and name  HE# )   (( resid 12   and name  HG1 ))      3.755     0.751     0.751



 assi    (  resid 8    and name  HE# )   (( resid 12   and name  HB2 ))      4.053     0.811     0.811



 assi    (( resid 9    and name  HA  ))   (  resid 8    and name  HD# )      4.039     0.808     0.808



 assi    (( resid 9    and name  HN  ))   (( resid 8    and name  HN  ))      3.213     0.643     0.643



 assi    (( resid 9    and name  HB2 ))   (( resid 9    and name  HB1 ))      2.559     0.512     0.512



 assi    (( resid 9    and name  HA  ))   (( resid 9    and name  HB1 ))      3.409     0.682     0.682



 assi    (( resid 9    and name  HA  ))   (( resid 9    and name  HB2 ))      3.061     0.612     0.612



 assi    (( resid 9    and name  HB2 ))   (( resid 9    and name  HN  ))      3.100     0.620     0.620



 assi    (( resid 9    and name  HB1 ))   (( resid 9    and name  HN  ))      3.198     0.640     0.640



 assi    (( resid 9    and name  HA  ))   (( resid 9    and name  HN  ))      3.426     0.685     0.685



 assi    (( resid 9    and name  HA  ))   (( resid 10   and name  HN  ))      4.039     0.808     0.808



 assi    (( resid 9    and name  HB2 ))   (( resid 10   and name  HN  ))      3.821     0.764     0.764



 assi    (( resid 9    and name  HN  ))   (( resid 10   and name  HN  ))      3.391     0.678     0.678



 assi    (( resid 9    and name  HB1 ))   (( resid 10   and name  HN  ))      3.345     0.669     0.669



 assi    (( resid 9    and name  HB1 ))   (( resid 27   and name  HB2 ))      3.805     0.761     0.761



 assi    (( resid 9    and name  HB1 ))   (  resid 30   and name  HD1#)      3.527     0.705     0.705



 assi    (( resid 9    and name  HB2 ))   (  resid 30   and name  HD1#)      3.188     0.638     0.638



 assi    (  resid 10   and name  HD# )   (( resid 7    and name  HA  ))      3.416     0.683     0.683



 assi    (  resid 10   and name  HD# )   (( resid 9    and name  HB2 ))      4.361     0.872     0.872



 assi    (  resid 10   and name  HD# )   (( resid 9    and name  HB1 ))      3.735     0.747     0.747



 assi    (( resid 10   and name  HA  ))   (( resid 10   and name  HB2 ))      3.479     0.696     0.696



 assi    (  resid 10   and name  HE# )   (  resid 10   and name  HD# )      2.428     0.486     0.486



 assi    (  resid 10   and name  HE# )   (( resid 10   and name  HB2 ))      4.230     0.846     0.846



 assi    (  resid 10   and name  HE# )   (( resid 10   and name  HB1 ))      4.282     0.856     0.856



 assi    (  resid 10   and name  HE# )   (( resid 10   and name  HA  ))      4.234     0.847     0.847



 assi    (  resid 10   and name  HD# )   (( resid 10   and name  HA  ))      2.933     0.587     0.587



 assi    (( resid 10   and name  HB2 ))   (( resid 10   and name  HN  ))      3.175     0.635     0.635



 assi    (  resid 10   and name  HD# )   (( resid 10   and name  HB1 ))      2.911     0.582     0.582



 assi    (( resid 10   and name  HB1 ))   (( resid 10   and name  HN  ))      3.524     0.705     0.705



 assi    (( resid 10   and name  HA  ))   (( resid 10   and name  HB1 ))      3.198     0.640     0.640



 assi    (( resid 10   and name  HA  ))   (( resid 10   and name  HN  ))      3.430     0.686     0.686



 assi    (  resid 10   and name  HD# )   (( resid 10   and name  HB2 ))      2.887     0.577     0.577



 assi    (( resid 10   and name  HB2 ))   (( resid 10   and name  HB1 ))      2.502     0.500     0.500



 assi    (  resid 10   and name  HD# )   (( resid 10   and name  HN  ))      3.378     0.676     0.676



 assi    (( resid 10   and name  HB1 ))   (( resid 11   and name  HN  ))      3.904     0.781     0.781



 assi    (( resid 10   and name  HN  ))   (( resid 11   and name  HN  ))      3.424     0.685     0.685



 assi    (( resid 10   and name  HB2 ))   (( resid 11   and name  HN  ))      3.667     0.733     0.733



 assi    (( resid 10   and name  HA  ))   (( resid 13   and name  HN  ))      3.652     0.730     0.730



 assi    (  resid 10   and name  HE# )   (( resid 24   and name  HB2 ))      4.278     0.856     0.856



 assi    (  resid 10   and name  HE# )   (( resid 24   and name  HA  ))      3.175     0.635     0.635



 assi    (  resid 10   and name  HE# )   (  resid 24   and name  HD# )      3.634     0.727     0.727



 assi    (  resid 10   and name  HD# )   (( resid 27   and name  HB2 ))      4.033     0.807     0.807



 assi    (  resid 10   and name  HE# )   (( resid 27   and name  HB1 ))      3.863     0.773     0.773



 assi    (  resid 10   and name  HE# )   (( resid 27   and name  HB2 ))      3.603     0.721     0.721



 assi    (  resid 10   and name  HD# )   (( resid 27   and name  HB1 ))      4.396     0.879     0.879



 assi    (( resid 11   and name  HB2 ))   (( resid 11   and name  HN  ))      3.355     0.671     0.671



 assi    (( resid 11   and name  HG1 ))   (( resid 11   and name  HN  ))      3.615     0.723     0.723



 assi    (( resid 11   and name  HA  ))   (( resid 11   and name  HN  ))      3.333     0.667     0.667



 assi    (( resid 11   and name  HB1 ))   (( resid 11   and name  HN  ))      3.155     0.631     0.631



 assi    (( resid 11   and name  HB2 ))   (( resid 11   and name  HA  ))      2.844     0.569     0.569



 assi    (( resid 11   and name  HB2 ))   (( resid 11   and name  HB1 ))      2.584     0.517     0.517



 assi    (( resid 11   and name  HB1 ))   (( resid 11   and name  HG1 ))      3.578     0.716     0.716



 assi    (( resid 11   and name  HA  ))   (( resid 11   and name  HG1 ))      3.661     0.732     0.732



 assi    (( resid 11   and name  HA  ))   (( resid 12   and name  HN  ))      4.195     0.839     0.839



 assi    (( resid 11   and name  HB1 ))   (( resid 12   and name  HN  ))      3.768     0.754     0.754



 assi    (( resid 11   and name  HN  ))   (( resid 12   and name  HN  ))      3.481     0.696     0.696



 assi    (( resid 12   and name  HG1 ))   (( resid 12   and name  HB1 ))      2.262     0.452     0.452



 assi    (( resid 12   and name  HB2 ))   (( resid 12   and name  HN  ))      3.408     0.682     0.682



 assi    (( resid 12   and name  HE21))   (( resid 12   and name  HE22))      2.211     0.442     0.442



 assi    (( resid 12   and name  HG1 ))   (( resid 12   and name  HE21))      4.055     0.811     0.811



 assi    (( resid 12   and name  HB1 ))   (( resid 12   and name  HE21))      3.659     0.732     0.732



 assi    (( resid 12   and name  HG1 ))   (( resid 12   and name  HA  ))      3.781     0.756     0.756



 assi    (( resid 12   and name  HG2 ))   (( resid 12   and name  HA  ))      3.119     0.624     0.624



 assi    (( resid 12   and name  HG2 ))   (( resid 12   and name  HN  ))      3.030     0.606     0.606



 assi    (( resid 12   and name  HG1 ))   (( resid 12   and name  HN  ))      3.558     0.712     0.712



 assi    (( resid 12   and name  HB2 ))   (( resid 12   and name  HA  ))      3.237     0.647     0.647



 assi    (( resid 12   and name  HA  ))   (( resid 12   and name  HN  ))      3.372     0.674     0.674



 assi    (( resid 12   and name  HB2 ))   (( resid 13   and name  HN  ))      4.311     0.862     0.862



 assi    (( resid 12   and name  HB1 ))   (( resid 13   and name  HN  ))      4.025     0.805     0.805



 assi    (( resid 12   and name  HG2 ))   (( resid 13   and name  HN  ))      3.644     0.729     0.729



 assi    (( resid 12   and name  HG1 ))   (( resid 13   and name  HN  ))      4.240     0.848     0.848



 assi    (( resid 12   and name  HA  ))   (( resid 13   and name  HN  ))      4.008     0.802     0.802



 assi    (( resid 12   and name  HN  ))   (( resid 13   and name  HN  ))      3.272     0.654     0.654



 assi    (( resid 12   and name  HA  ))   (  resid 15   and name  HG2#)      3.042     0.608     0.608



 assi    (( resid 12   and name  HA  ))   (  resid 15   and name  HG1#)      3.677     0.735     0.735



 assi    (( resid 12   and name  HA  ))   (( resid 15   and name  HN  ))      3.530     0.706     0.706



 assi    (( resid 13   and name  HB2 ))   (( resid 10   and name  HA  ))      3.839     0.768     0.768



 assi    (( resid 13   and name  HB1 ))   (( resid 10   and name  HA  ))      3.628     0.726     0.726



 assi    (( resid 13   and name  HA  ))   (( resid 12   and name  HN  ))      4.043     0.809     0.809



 assi    (( resid 13   and name  HA  ))   (( resid 13   and name  HB2 ))      3.253     0.651     0.651



 assi    (( resid 13   and name  HB1 ))   (( resid 13   and name  HN  ))      3.172     0.634     0.634



 assi    (( resid 13   and name  HB2 ))   (( resid 13   and name  HN  ))      3.510     0.702     0.702



 assi    (( resid 13   and name  HA  ))   (( resid 13   and name  HN  ))      3.319     0.664     0.664



 assi    (( resid 13   and name  HA  ))   (( resid 13   and name  HB1 ))      3.311     0.662     0.662



 assi    (( resid 13   and name  HB2 ))   (( resid 13   and name  HB1 ))      2.625     0.525     0.525



 assi    (( resid 13   and name  HB1 ))   (( resid 14   and name  HN  ))      4.022     0.804     0.804



 assi    (( resid 13   and name  HB2 ))   (( resid 14   and name  HN  ))      4.290     0.858     0.858



 assi    (( resid 13   and name  HN  ))   (( resid 14   and name  HN  ))      3.458     0.692     0.692



 assi    (( resid 13   and name  HA  ))   (( resid 16   and name  HB2 ))      3.895     0.779     0.779



 assi    (( resid 13   and name  HB2 ))   (( resid 23   and name  HB1 ))      4.146     0.829     0.829



 assi    (( resid 13   and name  HB1 ))   (( resid 23   and name  HB2 ))      4.289     0.858     0.858



 assi    (( resid 13   and name  HB2 ))   (( resid 23   and name  HB2 ))      3.826     0.765     0.765



 assi    (( resid 14   and name  HA  ))   (( resid 14   and name  HB2 ))      3.105     0.621     0.621



 assi    (( resid 14   and name  HB2 ))   (( resid 14   and name  HN  ))      3.397     0.679     0.679



 assi    (( resid 14   and name  HA  ))   (( resid 14   and name  HN  ))      3.662     0.732     0.732



 assi    (( resid 14   and name  HD21))   (( resid 14   and name  HD22))      2.146     0.426     0.429



 assi    (( resid 14   and name  HN  ))   (( resid 15   and name  HN  ))      3.540     0.708     0.708



 assi    (( resid 14   and name  HA  ))   (( resid 15   and name  HN  ))      3.820     0.764     0.764



 assi    (( resid 14   and name  HB2 ))   (( resid 15   and name  HN  ))      3.597     0.719     0.719



 assi    (( resid 14   and name  HA  ))   (( resid 17   and name  HN  ))      4.152     0.830     0.830



 assi    (( resid 15   and name  HA  ))   (  resid 15   and name  HG1#)      2.955     0.591     0.591



 assi    (( resid 15   and name  HB  ))   (  resid 15   and name  HG1#)      2.801     0.560     0.560



 assi    (( resid 15   and name  HB  ))   (  resid 15   and name  HG2#)      2.802     0.560     0.560



 assi    (( resid 15   and name  HA  ))   (( resid 15   and name  HB  ))      3.248     0.650     0.650



 assi    (( resid 15   and name  HA  ))   (( resid 15   and name  HN  ))      3.177     0.635     0.635



 assi    (  resid 15   and name  HG2#)   (( resid 15   and name  HN  ))      2.882     0.576     0.576



 assi    (  resid 15   and name  HG1#)   (( resid 15   and name  HN  ))      3.252     0.650     0.650



 assi    (  resid 15   and name  HG1#)   (  resid 15   and name  HG2#)      2.509     0.502     0.502



 assi    (( resid 15   and name  HA  ))   (  resid 15   and name  HG2#)      2.828     0.566     0.566



 assi    (( resid 15   and name  HB  ))   (( resid 15   and name  HN  ))      2.903     0.581     0.581



 assi    (( resid 16   and name  HB2 ))   (( resid 16   and name  HB1 ))      2.545     0.509     0.509



 assi    (( resid 16   and name  HD21))   (( resid 16   and name  HD22))      2.139     0.419     0.428



 assi    (( resid 16   and name  HB2 ))   (( resid 16   and name  HD22))      3.605     0.721     0.721



 assi    (( resid 16   and name  HB1 ))   (( resid 16   and name  HD22))      4.006     0.801     0.801



 assi    (( resid 16   and name  HB2 ))   (( resid 16   and name  HN  ))      3.167     0.633     0.633



 assi    (( resid 16   and name  HB1 ))   (( resid 16   and name  HD21))      3.611     0.722     0.722



 assi    (( resid 16   and name  HB2 ))   (( resid 16   and name  HD21))      3.245     0.649     0.649



 assi    (( resid 16   and name  HB1 ))   (( resid 16   and name  HN  ))      3.571     0.714     0.714



 assi    (( resid 16   and name  HN  ))   (( resid 16   and name  HA  ))      3.777     0.755     0.755



 assi    (( resid 17   and name  HN  ))   (( resid 16   and name  HA  ))      4.385     0.877     0.877



 assi    (( resid 17   and name  HN  ))   (( resid 16   and name  HN  ))      3.447     0.689     0.689



 assi    (( resid 17   and name  HB1 ))   (( resid 17   and name  HA  ))      3.260     0.652     0.652



 assi    (( resid 17   and name  HD1 ))   (( resid 17   and name  HA  ))      4.064     0.813     0.813



 assi    (( resid 17   and name  HD2 ))   (( resid 17   and name  HA  ))      4.199     0.840     0.840



 assi    (( resid 17   and name  HB2 ))   (( resid 17   and name  HB1 ))      2.523     0.505     0.505



 assi    (( resid 17   and name  HB2 ))   (( resid 17   and name  HD2 ))      3.290     0.658     0.658



 assi    (( resid 17   and name  HD2 ))   (( resid 17   and name  HD1 ))      2.476     0.495     0.495



 assi    (( resid 17   and name  HA  ))   (( resid 17   and name  HN  ))      2.837     0.567     0.567



 assi    (( resid 17   and name  HB1 ))   (( resid 17   and name  HN  ))      4.139     0.828     0.828



 assi    (( resid 17   and name  HB2 ))   (( resid 17   and name  HN  ))      4.188     0.838     0.838



 assi    (( resid 17   and name  HB2 ))   (( resid 17   and name  HA  ))      2.850     0.570     0.570



 assi    (( resid 17   and name  HA  ))   (( resid 18   and name  HN  ))      3.762     0.752     0.752



 assi    (( resid 18   and name  HN  ))   (( resid 15   and name  HN  ))      3.938     0.788     0.788



 assi    (( resid 18   and name  HN  ))   (( resid 17   and name  HN  ))      3.724     0.745     0.745



 assi    (( resid 18   and name  HA  ))   (  resid 18   and name  HG1#)      2.906     0.581     0.581



 assi    (  resid 18   and name  HG1#)   (  resid 18   and name  HG2#)      2.857     0.571     0.571



 assi    (  resid 18   and name  HG1#)   (( resid 18   and name  HB  ))      2.836     0.567     0.567



 assi    (( resid 18   and name  HA  ))   (  resid 18   and name  HG2#)      2.956     0.591     0.591



 assi    (  resid 18   and name  HG2#)   (( resid 18   and name  HB  ))      2.896     0.579     0.579



 assi    (( resid 18   and name  HA  ))   (( resid 18   and name  HB  ))      3.453     0.691     0.691



 assi    (( resid 18   and name  HA  ))   (( resid 18   and name  HN  ))      4.172     0.834     0.834



 assi    (  resid 18   and name  HG1#)   (( resid 18   and name  HN  ))      3.343     0.669     0.669



 assi    (( resid 19   and name  HD1 ))   (  resid 18   and name  HG1#)      4.280     0.856     0.856



 assi    (( resid 19   and name  HD1 ))   (( resid 18   and name  HA  ))      2.633     0.527     0.527



 assi    (( resid 19   and name  HD2 ))   (  resid 18   and name  HG2#)      3.042     0.608     0.608



 assi    (( resid 19   and name  HD1 ))   (  resid 18   and name  HG2#)      3.445     0.689     0.689



 assi    (( resid 19   and name  HD2 ))   (( resid 18   and name  HB  ))      3.885     0.777     0.777



 assi    (( resid 19   and name  HD2 ))   (( resid 18   and name  HA  ))      2.844     0.569     0.569



 assi    (( resid 19   and name  HD2 ))   (  resid 18   and name  HG1#)      4.072     0.814     0.814



 assi    (( resid 19   and name  HA  ))   (( resid 19   and name  HD2 ))      4.032     0.806     0.806



 assi    (( resid 19   and name  HB1 ))   (( resid 19   and name  HD1 ))      3.240     0.648     0.648



 assi    (( resid 19   and name  HA  ))   (  resid 19   and name  HG# )      3.584     0.717     0.717



 assi    (( resid 19   and name  HB2 ))   (( resid 19   and name  HD2 ))      4.144     0.829     0.829



 assi    (( resid 19   and name  HB2 ))   (( resid 19   and name  HB1 ))      2.559     0.512     0.512



 assi    (( resid 19   and name  HD2 ))   (( resid 19   and name  HD1 ))      2.487     0.497     0.497



 assi    (( resid 19   and name  HA  ))   (( resid 19   and name  HB1 ))      3.246     0.649     0.649



 assi    (( resid 19   and name  HD1 ))   (  resid 19   and name  HG# )      3.348     0.670     0.670



 assi    (( resid 19   and name  HB1 ))   (( resid 19   and name  HD2 ))      3.201     0.640     0.640



 assi    (( resid 19   and name  HB2 ))   (( resid 19   and name  HD1 ))      4.119     0.824     0.824



 assi    (( resid 19   and name  HA  ))   (( resid 19   and name  HB2 ))      2.806     0.561     0.561



 assi    (( resid 19   and name  HA  ))   (( resid 20   and name  HN  ))      2.826     0.565     0.565



 assi    (( resid 19   and name  HB2 ))   (( resid 20   and name  HN  ))      3.994     0.799     0.799



 assi    (( resid 19   and name  HB1 ))   (( resid 20   and name  HN  ))      4.155     0.831     0.831



 assi    (( resid 19   and name  HB1 ))   (( resid 21   and name  HN  ))      3.993     0.799     0.799



 assi    (( resid 19   and name  HD2 ))   (  resid 22   and name  HB# )      3.456     0.691     0.691



 assi    (( resid 19   and name  HB1 ))   (( resid 22   and name  HN  ))      3.723     0.745     0.745



 assi    (( resid 20   and name  HB2 ))   (( resid 20   and name  HA  ))      3.237     0.647     0.647



 assi    (  resid 20   and name  HD# )   (( resid 20   and name  HB2 ))      2.901     0.580     0.580



 assi    (  resid 20   and name  HD# )   (( resid 20   and name  HB1 ))      2.942     0.588     0.588



 assi    (( resid 20   and name  HB2 ))   (( resid 20   and name  HN  ))      3.379     0.676     0.676



 assi    (  resid 20   and name  HD# )   (( resid 20   and name  HN  ))      3.886     0.777     0.777



 assi    (( resid 20   and name  HB1 ))   (( resid 20   and name  HA  ))      3.069     0.614     0.614



 assi    (( resid 20   and name  HA  ))   (( resid 20   and name  HN  ))      3.404     0.681     0.681



 assi    (( resid 20   and name  HB1 ))   (( resid 20   and name  HN  ))      3.206     0.641     0.641



 assi    (  resid 20   and name  HD# )   (( resid 20   and name  HA  ))      3.166     0.633     0.633



 assi    (  resid 20   and name  HD# )   (( resid 21   and name  HA  ))      3.586     0.717     0.717



 assi    (( resid 20   and name  HA  ))   (( resid 21   and name  HN  ))      4.160     0.832     0.832



 assi    (( resid 20   and name  HN  ))   (( resid 21   and name  HN  ))      3.445     0.689     0.689



 assi    (( resid 20   and name  HB2 ))   (( resid 21   and name  HN  ))      3.452     0.690     0.690



 assi    (  resid 20   and name  HD# )   (( resid 21   and name  HN  ))      3.892     0.778     0.778



 assi    (( resid 20   and name  HB1 ))   (( resid 21   and name  HN  ))      3.905     0.781     0.781



 assi    (( resid 20   and name  HA  ))   (( resid 23   and name  HB1 ))      3.247     0.649     0.649



 assi    (( resid 20   and name  HA  ))   (( resid 23   and name  HB2 ))      3.395     0.679     0.679



 assi    (( resid 20   and name  HA  ))   (( resid 24   and name  HN  ))      4.227     0.845     0.845



 assi    (( resid 21   and name  HB1 ))   (( resid 21   and name  HN  ))      3.402     0.680     0.680



 assi    (( resid 21   and name  HA  ))   (( resid 21   and name  HN  ))      3.280     0.656     0.656



 assi    (( resid 21   and name  HB2 ))   (( resid 21   and name  HB1 ))      2.195     0.439     0.439



 assi    (( resid 21   and name  HB2 ))   (( resid 21   and name  HN  ))      3.429     0.686     0.686



 assi    (( resid 21   and name  HA  ))   (( resid 21   and name  HB1 ))      2.928     0.586     0.586



 assi    (( resid 21   and name  HA  ))   (( resid 21   and name  HB2 ))      2.672     0.534     0.534



 assi    (( resid 21   and name  HB1 ))   (( resid 22   and name  HN  ))      3.941     0.788     0.788



 assi    (( resid 21   and name  HA  ))   (( resid 22   and name  HN  ))      4.067     0.813     0.813



 assi    (( resid 21   and name  HN  ))   (( resid 22   and name  HN  ))      3.337     0.667     0.667



 assi    (( resid 21   and name  HA  ))   (( resid 24   and name  HN  ))      4.068     0.814     0.814



 assi    (( resid 21   and name  HA  ))   (  resid 24   and name  HD# )      4.294     0.859     0.859



 assi    (  resid 22   and name  HB# )   (  resid 18   and name  HG2#)      2.800     0.560     0.560



 assi    (( resid 22   and name  HA  ))   (( resid 22   and name  HG2 ))      3.380     0.676     0.676



 assi    (( resid 22   and name  HA  ))   (  resid 22   and name  HB# )      2.761     0.552     0.552



 assi    (( resid 22   and name  HG2 ))   (( resid 22   and name  HG1 ))      2.325     0.465     0.465



 assi    (( resid 22   and name  HE21))   (( resid 22   and name  HE22))      2.109     0.389     0.422



 assi    (( resid 22   and name  HA  ))   (( resid 22   and name  HN  ))      3.416     0.683     0.683



 assi    (( resid 22   and name  HG1 ))   (( resid 22   and name  HN  ))      3.885     0.777     0.777



 assi    (( resid 22   and name  HG2 ))   (( resid 22   and name  HN  ))      4.243     0.849     0.849



 assi    (  resid 22   and name  HB# )   (( resid 22   and name  HN  ))      2.998     0.600     0.600



 assi    (( resid 22   and name  HA  ))   (( resid 22   and name  HG1 ))      3.493     0.699     0.699



 assi    (  resid 22   and name  HB# )   (( resid 22   and name  HG1 ))      2.650     0.530     0.530



 assi    (  resid 22   and name  HB# )   (( resid 22   and name  HG2 ))      3.076     0.615     0.615



 assi    (  resid 22   and name  HB# )   (( resid 23   and name  HN  ))      3.354     0.671     0.671



 assi    (( resid 22   and name  HA  ))   (( resid 23   and name  HN  ))      4.272     0.854     0.854



 assi    (( resid 22   and name  HN  ))   (( resid 23   and name  HN  ))      3.312     0.662     0.662



 assi    (( resid 22   and name  HA  ))   (( resid 25   and name  HG2 ))      4.263     0.853     0.853



 assi    (( resid 22   and name  HA  ))   (( resid 25   and name  HN  ))      3.742     0.748     0.748



 assi    (( resid 23   and name  HA  ))   (( resid 23   and name  HB1 ))      3.409     0.682     0.682



 assi    (( resid 23   and name  HA  ))   (( resid 23   and name  HB2 ))      3.147     0.629     0.629



 assi    (( resid 23   and name  HB2 ))   (( resid 23   and name  HB1 ))      2.573     0.515     0.515



 assi    (( resid 23   and name  HB1 ))   (( resid 23   and name  HN  ))      3.692     0.738     0.738



 assi    (( resid 23   and name  HA  ))   (( resid 23   and name  HN  ))      3.804     0.761     0.761



 assi    (( resid 23   and name  HB2 ))   (( resid 23   and name  HN  ))      3.476     0.695     0.695



 assi    (( resid 23   and name  HB2 ))   (( resid 24   and name  HN  ))      3.722     0.744     0.744



 assi    (( resid 23   and name  HB1 ))   (( resid 24   and name  HN  ))      3.421     0.684     0.684



 assi    (( resid 23   and name  HN  ))   (( resid 24   and name  HN  ))      3.604     0.721     0.721



 assi    (( resid 23   and name  HA  ))   (( resid 25   and name  HN  ))      4.219     0.844     0.844



 assi    (( resid 23   and name  HA  ))   (  resid 26   and name  HE# )      3.785     0.757     0.757



 assi    (( resid 24   and name  HB2 ))   (  resid 20   and name  HD# )      3.933     0.787     0.787



 assi    (( resid 24   and name  HB1 ))   (( resid 21   and name  HA  ))      3.344     0.669     0.669



 assi    (( resid 24   and name  HB1 ))   (  resid 24   and name  HE# )      4.221     0.844     0.844



 assi    (( resid 24   and name  HB2 ))   (  resid 24   and name  HE# )      4.378     0.876     0.876



 assi    (( resid 24   and name  HB2 ))   (  resid 24   and name  HD# )      2.910     0.582     0.582



 assi    (  resid 24   and name  HD# )   (( resid 24   and name  HN  ))      4.031     0.806     0.806



 assi    (( resid 24   and name  HB1 ))   (  resid 24   and name  HD# )      2.898     0.580     0.580



 assi    (( resid 24   and name  HA  ))   (( resid 24   and name  HN  ))      3.357     0.671     0.671



 assi    (( resid 24   and name  HB2 ))   (( resid 24   and name  HA  ))      3.128     0.626     0.626



 assi    (  resid 24   and name  HD# )   (  resid 24   and name  HE# )      2.358     0.472     0.472



 assi    (( resid 24   and name  HB2 ))   (( resid 24   and name  HB1 ))      2.576     0.515     0.515



 assi    (( resid 24   and name  HB1 ))   (( resid 24   and name  HA  ))      3.575     0.715     0.715



 assi    (( resid 24   and name  HB1 ))   (( resid 24   and name  HN  ))      3.173     0.635     0.635



 assi    (( resid 24   and name  HB2 ))   (( resid 24   and name  HN  ))      3.105     0.621     0.621



 assi    (  resid 24   and name  HD# )   (( resid 24   and name  HA  ))      3.206     0.641     0.641



 assi    (  resid 24   and name  HD# )   (( resid 25   and name  HA  ))      3.663     0.733     0.733



 assi    (( resid 24   and name  HB1 ))   (( resid 25   and name  HN  ))      3.617     0.723     0.723



 assi    (( resid 24   and name  HA  ))   (( resid 25   and name  HN  ))      3.977     0.795     0.795



 assi    (( resid 24   and name  HN  ))   (( resid 25   and name  HN  ))      3.490     0.698     0.698



 assi    (( resid 24   and name  HB2 ))   (( resid 25   and name  HN  ))      3.915     0.783     0.783



 assi    (( resid 24   and name  HA  ))   (( resid 27   and name  HN  ))      4.068     0.814     0.814



 assi    (  resid 24   and name  HD# )   (( resid 28   and name  HB2 ))      4.204     0.841     0.841



 assi    (  resid 24   and name  HD# )   (( resid 28   and name  HB1 ))      3.931     0.786     0.786



 assi    (  resid 24   and name  HE# )   (( resid 28   and name  HB1 ))      3.852     0.770     0.770



 assi    (  resid 24   and name  HE# )   (( resid 28   and name  HB2 ))      3.925     0.785     0.785



 assi    (( resid 24   and name  HA  ))   (( resid 28   and name  HN  ))      3.859     0.772     0.772



 assi    (( resid 25   and name  HA  ))   (( resid 25   and name  HG2 ))      3.734     0.747     0.747



 assi    (( resid 25   and name  HA  ))   (( resid 25   and name  HG1 ))      4.078     0.816     0.816



 assi    (( resid 25   and name  HA  ))   (( resid 25   and name  HN  ))      3.420     0.684     0.684



 assi    (  resid 25   and name  HB# )   (( resid 25   and name  HN  ))      3.032     0.606     0.606



 assi    (( resid 25   and name  HG2 ))   (( resid 25   and name  HN  ))      4.073     0.815     0.815



 assi    (( resid 25   and name  HG1 ))   (( resid 25   and name  HN  ))      3.968     0.794     0.794



 assi    (( resid 25   and name  HE21))   (( resid 25   and name  HE22))      2.076     0.356     0.415



 assi    (  resid 26   and name  HE# )   (  resid 18   and name  HG2#)      3.382     0.676     0.676



 assi    (  resid 26   and name  HE# )   (  resid 18   and name  HG1#)      3.441     0.688     0.688



 assi    (( resid 26   and name  HB2 ))   (  resid 26   and name  HE# )      3.302     0.660     0.660



 assi    (( resid 26   and name  HB2 ))   (( resid 26   and name  HN  ))      3.039     0.608     0.608



 assi    (( resid 26   and name  HA  ))   (( resid 26   and name  HN  ))      3.407     0.681     0.681



 assi    (( resid 26   and name  HG2 ))   (  resid 26   and name  HE# )      3.596     0.719     0.719



 assi    (( resid 26   and name  HG1 ))   (( resid 26   and name  HA  ))      3.942     0.788     0.788



 assi    (( resid 26   and name  HB2 ))   (( resid 26   and name  HA  ))      3.097     0.619     0.619



 assi    (( resid 26   and name  HG2 ))   (( resid 26   and name  HG1 ))      2.102     0.382     0.420



 assi    (( resid 26   and name  HG1 ))   (  resid 26   and name  HE# )      3.991     0.798     0.798



 assi    (( resid 26   and name  HG2 ))   (( resid 26   and name  HA  ))      4.024     0.805     0.805



 assi    (( resid 26   and name  HA  ))   (  resid 26   and name  HE# )      3.361     0.672     0.672



 assi    (  resid 26   and name  HE# )   (( resid 26   and name  HN  ))      3.529     0.706     0.706



 assi    (  resid 26   and name  HE# )   (( resid 27   and name  HN  ))      3.796     0.759     0.759



 assi    (( resid 26   and name  HA  ))   (( resid 27   and name  HN  ))      4.033     0.807     0.807



 assi    (( resid 26   and name  HN  ))   (( resid 27   and name  HN  ))      3.188     0.638     0.638



 assi    (( resid 26   and name  HB2 ))   (( resid 27   and name  HN  ))      3.761     0.752     0.752



 assi    (( resid 26   and name  HN  ))   (( resid 28   and name  HN  ))      4.137     0.827     0.827



 assi    (( resid 27   and name  HB2 ))   (( resid 27   and name  HA  ))      3.728     0.746     0.746



 assi    (( resid 27   and name  HB2 ))   (( resid 27   and name  HB1 ))      2.788     0.558     0.558



 assi    (( resid 27   and name  HB2 ))   (( resid 27   and name  HN  ))      3.860     0.772     0.772



 assi    (( resid 27   and name  HB1 ))   (( resid 27   and name  HN  ))      3.545     0.709     0.709



 assi    (( resid 27   and name  HA  ))   (( resid 27   and name  HN  ))      3.689     0.738     0.738



 assi    (( resid 27   and name  HA  ))   (( resid 28   and name  HN  ))      3.996     0.799     0.799



 assi    (( resid 27   and name  HN  ))   (( resid 28   and name  HN  ))      3.123     0.625     0.625



 assi    (( resid 27   and name  HB1 ))   (( resid 28   and name  HN  ))      4.056     0.811     0.811



 assi    (( resid 28   and name  HB2 ))   (( resid 28   and name  HB1 ))      2.526     0.505     0.505



 assi    (( resid 28   and name  HB2 ))   (( resid 28   and name  HA  ))      2.783     0.557     0.557



 assi    (( resid 28   and name  HB1 ))   (( resid 28   and name  HA  ))      2.878     0.576     0.576



 assi    (( resid 28   and name  HB2 ))   (( resid 28   and name  HN  ))      3.603     0.721     0.721



 assi    (( resid 28   and name  HA  ))   (( resid 28   and name  HN  ))      3.303     0.661     0.661



 assi    (( resid 28   and name  HB1 ))   (( resid 28   and name  HN  ))      3.406     0.681     0.681



 assi    (( resid 28   and name  HA  ))   (( resid 31   and name  HN  ))      4.032     0.806     0.806



 assi    (( resid 29   and name  HD1 ))   (( resid 26   and name  HA  ))      4.365     0.873     0.873



 assi    (( resid 29   and name  HD2 ))   (( resid 28   and name  HA  ))      3.444     0.689     0.689



 assi    (( resid 29   and name  HD1 ))   (( resid 28   and name  HN  ))      3.624     0.725     0.725



 assi    (( resid 29   and name  HD2 ))   (( resid 28   and name  HN  ))      3.243     0.649     0.649



 assi    (( resid 29   and name  HD2 ))   (( resid 29   and name  HD1 ))      2.475     0.495     0.495



 assi    (( resid 29   and name  HD2 ))   (( resid 29   and name  HG1 ))      3.183     0.637     0.637



 assi    (( resid 29   and name  HD1 ))   (( resid 29   and name  HG1 ))      3.294     0.659     0.659



 assi    (( resid 29   and name  HD1 ))   (( resid 29   and name  HB1 ))      4.115     0.823     0.823



 assi    (( resid 29   and name  HB1 ))   (( resid 29   and name  HG1 ))      3.180     0.636     0.636



 assi    (( resid 29   and name  HA  ))   (( resid 29   and name  HG2 ))      3.485     0.697     0.697



 assi    (( resid 29   and name  HB1 ))   (( resid 29   and name  HA  ))      2.936     0.587     0.587



 assi    (( resid 29   and name  HA  ))   (( resid 29   and name  HG1 ))      3.803     0.761     0.761



 assi    (( resid 29   and name  HD1 ))   (( resid 29   and name  HG2 ))      3.607     0.721     0.721



 assi    (( resid 29   and name  HD2 ))   (( resid 29   and name  HB1 ))      3.922     0.784     0.784



 assi    (( resid 29   and name  HB2 ))   (( resid 29   and name  HA  ))      3.254     0.651     0.651



 assi    (( resid 29   and name  HD1 ))   (( resid 29   and name  HB2 ))      3.617     0.723     0.723



 assi    (( resid 29   and name  HD2 ))   (( resid 29   and name  HB2 ))      3.850     0.770     0.770



 assi    (( resid 29   and name  HD2 ))   (( resid 29   and name  HG2 ))      3.164     0.633     0.633



 assi    (( resid 29   and name  HB1 ))   (( resid 29   and name  HG2 ))      3.234     0.647     0.647



 assi    (( resid 29   and name  HB2 ))   (( resid 29   and name  HB1 ))      2.522     0.504     0.504



 assi    (( resid 29   and name  HA  ))   (( resid 30   and name  HN  ))      3.764     0.753     0.753



 assi    (( resid 29   and name  HD1 ))   (( resid 30   and name  HN  ))      4.014     0.803     0.803



 assi    (( resid 29   and name  HD2 ))   (( resid 30   and name  HN  ))      4.383     0.877     0.877



 assi    (( resid 30   and name  HA  ))   (  resid 30   and name  HD1#)      3.778     0.756     0.756



 assi    (( resid 30   and name  HA  ))   (  resid 30   and name  HD2#)      2.796     0.559     0.559



 assi    (( resid 30   and name  HB1 ))   (( resid 30   and name  HA  ))      3.484     0.697     0.697



 assi    (( resid 30   and name  HB1 ))   (( resid 30   and name  HG  ))      3.615     0.723     0.723



 assi    (( resid 30   and name  HB1 ))   (  resid 30   and name  HD1#)      3.120     0.624     0.624



 assi    (( resid 30   and name  HB2 ))   (  resid 30   and name  HD1#)      3.171     0.634     0.634



 assi    (( resid 30   and name  HB2 ))   (( resid 30   and name  HB1 ))      2.529     0.506     0.506



 assi    (  resid 30   and name  HD2#)   (( resid 30   and name  HN  ))      3.957     0.791     0.791



 assi    (( resid 30   and name  HG  ))   (  resid 30   and name  HD1#)      2.954     0.591     0.591



 assi    (( resid 30   and name  HG  ))   (( resid 30   and name  HN  ))      3.229     0.646     0.646



 assi    (( resid 30   and name  HG  ))   (  resid 30   and name  HD2#)      2.892     0.578     0.578



 assi    (( resid 30   and name  HB1 ))   (( resid 30   and name  HN  ))      3.329     0.666     0.666



 assi    (( resid 30   and name  HB2 ))   (( resid 30   and name  HA  ))      3.068     0.614     0.614



 assi    (( resid 30   and name  HB1 ))   (  resid 30   and name  HD2#)      3.616     0.723     0.723



 assi    (( resid 30   and name  HA  ))   (( resid 30   and name  HG  ))      3.533     0.707     0.707



 assi    (  resid 30   and name  HD1#)   (( resid 30   and name  HN  ))      3.986     0.797     0.797



 assi    (( resid 30   and name  HB2 ))   (  resid 30   and name  HD2#)      3.275     0.655     0.655



 assi    (( resid 30   and name  HB2 ))   (( resid 30   and name  HN  ))      3.850     0.770     0.770



 assi    (( resid 30   and name  HA  ))   (( resid 30   and name  HN  ))      3.485     0.697     0.697



 assi    (( resid 30   and name  HN  ))   (( resid 31   and name  HN  ))      3.200     0.640     0.640



 assi    (  resid 30   and name  HD2#)   (( resid 31   and name  HB2 ))      3.934     0.787     0.787



 assi    (  resid 30   and name  HD1#)   (( resid 31   and name  HB2 ))      3.645     0.729     0.729



 assi    (( resid 30   and name  HA  ))   (( resid 31   and name  HN  ))      3.708     0.742     0.742



 assi    (( resid 31   and name  HA  ))   (( resid 31   and name  HG2 ))      3.385     0.677     0.677



 assi    (( resid 31   and name  HA  ))   (( resid 31   and name  HB1 ))      3.164     0.633     0.633



 assi    (( resid 31   and name  HG1 ))   (( resid 31   and name  HB1 ))      3.694     0.739     0.739



 assi    (( resid 31   and name  HG2 ))   (( resid 31   and name  HN  ))      3.968     0.794     0.794



 assi    (( resid 31   and name  HB1 ))   (( resid 31   and name  HN  ))      3.423     0.685     0.685



 assi    (( resid 31   and name  HG1 ))   (( resid 31   and name  HN  ))      3.757     0.751     0.751



 assi    (( resid 31   and name  HA  ))   (( resid 31   and name  HG1 ))      3.713     0.743     0.743



 assi    (( resid 31   and name  HA  ))   (( resid 31   and name  HN  ))      3.532     0.706     0.706



 assi    (( resid 31   and name  HB2 ))   (( resid 31   and name  HB1 ))      2.496     0.499     0.499



 assi    (( resid 31   and name  HA  ))   (( resid 31   and name  HB2 ))      3.172     0.634     0.634



 assi    (( resid 31   and name  HG2 ))   (( resid 31   and name  HB2 ))      2.943     0.589     0.589



 assi    (( resid 31   and name  HG1 ))   (( resid 31   and name  HB2 ))      3.299     0.660     0.660



 assi    (( resid 31   and name  HB2 ))   (( resid 31   and name  HN  ))      3.861     0.772     0.772



 assi    (( resid 31   and name  HG2 ))   (( resid 31   and name  HB1 ))      2.829     0.566     0.566



 assi    (( resid 31   and name  HG2 ))   (( resid 31   and name  HG1 ))      2.433     0.487     0.487



 assi    (( resid 31   and name  HN  ))   (( resid 32   and name  HN  ))      3.263     0.653     0.653



 assi    (( resid 31   and name  HA  ))   (( resid 32   and name  HN  ))      3.556     0.711     0.711



 assi    (( resid 32   and name  HB1 ))   (( resid 32   and name  HA  ))      3.588     0.718     0.718



 assi    (( resid 32   and name  HB1 ))   (  resid 32   and name  HD# )      4.216     0.843     0.843



 assi    (( resid 32   and name  HA  ))   (  resid 32   and name  HD# )      4.202     0.840     0.840



 assi    (( resid 32   and name  HA  ))   (( resid 32   and name  HN  ))      3.574     0.715     0.715



 assi    (( resid 32   and name  HB2 ))   (( resid 32   and name  HN  ))      3.655     0.731     0.731



 assi    (( resid 32   and name  HB1 ))   (( resid 32   and name  HN  ))      4.189     0.838     0.838



 assi    (( resid 32   and name  HB2 ))   (( resid 32   and name  HA  ))      3.477     0.695     0.695



 assi    (  resid 33   and name  HB# )   (( resid 33   and name  HA  ))      3.088     0.618     0.618



 assi    (  resid 33   and name  HB# )   (( resid 33   and name  HN  ))      3.858     0.772     0.772



 assi    (( resid 33   and name  HA  ))   (( resid 33   and name  HN  ))      3.836     0.767     0.767



 assi    (( resid 9   and name  SG ))   (( resid 27 and name  SG ))      2.020     0.100    0.100

 assi    (( resid 13   and name  SG ))   (( resid 23 and name  SG ))      2.020     0.100    0.100
 
 assi    (( resid 3    and name  HA  ))   (( resid 3    and name  HD2 ))      4.170     0.834     0.834



 assi    (( resid 3    and name  HD1 ))   (( resid 3    and name  HB2 ))      4.218     0.844     0.844



 assi    (( resid 19   and name  HA  ))   (( resid 19   and name  HD2 ))      4.032     0.806     0.806



 assi    (  resid 6    and name  HB# )   (  resid 10   and name  HD# )      3.448     0.690     0.690



 assi    (( resid 7    and name  HA  ))   (( resid 7    and name  HB2 ))      3.152     0.630     0.630



 assi    (( resid 7    and name  HA  ))   (( resid 7    and name  HB1 ))      3.387     0.677     0.677



 assi    (( resid 7    and name  HA  ))   (( resid 7    and name  HG1 ))      3.728     0.746     0.746



 assi    (( resid 7    and name  HA  ))   (( resid 7    and name  HG2 ))      3.828     0.766     0.766



 assi    (( resid 7    and name  HG1 ))   (( resid 7    and name  HE2 ))      4.194     0.839     0.839



 assi    (( resid 7    and name  HG2 ))   (( resid 7    and name  HE2 ))      4.023     0.805     0.805



 assi    (( resid 7    and name  HE2 ))   (( resid 7    and name  HD2 ))      3.584     0.717     0.717



 assi    (( resid 7    and name  HE2 ))   (( resid 7    and name  HD1 ))      3.198     0.640     0.640



 assi    (( resid 7    and name  HB1 ))   (  resid 7    and name  HD# )      3.635     0.727     0.727



 assi    (( resid 9    and name  HB2 ))   (( resid 9    and name  HB1 ))      2.559     0.512     0.512



 assi    (( resid 9    and name  HA  ))   (( resid 9    and name  HB1 ))      3.409     0.682     0.682



 assi    (( resid 9    and name  HA  ))   (( resid 9    and name  HB2 ))      3.061     0.612     0.612



 assi    (( resid 13   and name  HA  ))   (( resid 13   and name  HB2 ))      3.253     0.651     0.651



 assi    (( resid 8    and name  HB2 ))   (( resid 8    and name  HB1 ))      2.433     0.487     0.487



 assi    (  resid 8    and name  HD# )   (  resid 8    and name  HE# )      2.390     0.478     0.478



 assi    (( resid 10   and name  HA  ))   (( resid 10   and name  HB2 ))      3.479     0.696     0.696



 assi    (  resid 10   and name  HE# )   (  resid 10   and name  HD# )      2.428     0.486     0.486



 assi    (  resid 10   and name  HE# )   (( resid 10   and name  HB2 ))      4.230     0.846     0.846



 assi    (  resid 10   and name  HE# )   (( resid 10   and name  HB1 ))      4.282     0.856     0.856



 assi    (  resid 10   and name  HD# )   (( resid 9    and name  HB2 ))      4.361     0.872     0.872



 assi    (  resid 10   and name  HD# )   (( resid 27   and name  HB2 ))      4.033     0.807     0.807



 assi    (  resid 10   and name  HE# )   (( resid 27   and name  HB1 ))      3.863     0.773     0.773



 assi    (  resid 10   and name  HE# )   (( resid 24   and name  HB2 ))      4.278     0.856     0.856



 assi    (  resid 10   and name  HE# )   (( resid 27   and name  HB2 ))      3.603     0.721     0.721



 assi    (  resid 20   and name  HD# )   (( resid 21   and name  HA  ))      3.586     0.717     0.717



 assi    (( resid 20   and name  HB2 ))   (( resid 20   and name  HA  ))      3.237     0.647     0.647



 assi    (( resid 22   and name  HA  ))   (( resid 22   and name  HG2 ))      3.380     0.676     0.676



 assi    (( resid 22   and name  HA  ))   (  resid 22   and name  HB# )      2.761     0.552     0.552



 assi    (( resid 3    and name  HB2 ))   (( resid 3    and name  HB1 ))      2.631     0.526     0.526



 assi    (( resid 22   and name  HG2 ))   (( resid 22   and name  HG1 ))      2.325     0.465     0.465



 assi    (  resid 24   and name  HD# )   (( resid 28   and name  HB2 ))      4.204     0.841     0.841



 assi    (  resid 24   and name  HD# )   (( resid 28   and name  HB1 ))      3.931     0.786     0.786



 assi    (  resid 24   and name  HE# )   (( resid 28   and name  HB1 ))      3.852     0.770     0.770



 assi    (( resid 24   and name  HB1 ))   (  resid 24   and name  HE# )      4.221     0.844     0.844



 assi    (( resid 24   and name  HB2 ))   (  resid 24   and name  HE# )      4.378     0.876     0.876



 assi    (( resid 29   and name  HD2 ))   (( resid 29   and name  HD1 ))      2.475     0.495     0.495



 assi    (( resid 25   and name  HA  ))   (( resid 25   and name  HG2 ))      3.734     0.747     0.747



 assi    (( resid 25   and name  HA  ))   (( resid 25   and name  HG1 ))      4.078     0.816     0.816



 assi    (( resid 26   and name  HB2 ))   (  resid 26   and name  HE# )      3.302     0.660     0.660



 assi    (( resid 27   and name  HB2 ))   (( resid 27   and name  HA  ))      3.728     0.746     0.746



 assi    (( resid 27   and name  HB2 ))   (( resid 27   and name  HB1 ))      2.788     0.558     0.558



 assi    (( resid 28   and name  HB2 ))   (( resid 28   and name  HB1 ))      2.526     0.505     0.505



 assi    (( resid 28   and name  HB2 ))   (( resid 28   and name  HA  ))      2.783     0.557     0.557



 assi    (( resid 28   and name  HB1 ))   (( resid 28   and name  HA  ))      2.878     0.576     0.576



 assi    (( resid 29   and name  HD2 ))   (( resid 29   and name  HG1 ))      3.183     0.637     0.637



 assi    (( resid 29   and name  HD1 ))   (( resid 29   and name  HG1 ))      3.294     0.659     0.659



 assi    (( resid 29   and name  HD1 ))   (( resid 29   and name  HB1 ))      4.115     0.823     0.823



 assi    (( resid 29   and name  HB1 ))   (( resid 29   and name  HG1 ))      3.180     0.636     0.636



 assi    (( resid 30   and name  HA  ))   (  resid 30   and name  HD1#)      3.778     0.756     0.756



 assi    (( resid 30   and name  HA  ))   (  resid 30   and name  HD2#)      2.796     0.559     0.559



 assi    (( resid 30   and name  HB1 ))   (( resid 30   and name  HA  ))      3.484     0.697     0.697



 assi    (( resid 30   and name  HB1 ))   (( resid 30   and name  HG  ))      3.615     0.723     0.723



 assi    (( resid 30   and name  HB1 ))   (  resid 30   and name  HD1#)      3.120     0.624     0.624



 assi    (( resid 30   and name  HB2 ))   (  resid 30   and name  HD1#)      3.171     0.634     0.634



 assi    (( resid 30   and name  HB2 ))   (( resid 30   and name  HB1 ))      2.529     0.506     0.506



 assi    (( resid 31   and name  HA  ))   (( resid 31   and name  HG2 ))      3.385     0.677     0.677



 assi    (( resid 31   and name  HA  ))   (( resid 31   and name  HB1 ))      3.164     0.633     0.633



 assi    (( resid 31   and name  HG1 ))   (( resid 31   and name  HB1 ))      3.694     0.739     0.739



 assi    (( resid 32   and name  HB1 ))   (( resid 32   and name  HA  ))      3.588     0.718     0.718



 assi    (( resid 32   and name  HB1 ))   (  resid 32   and name  HD# )      4.216     0.843     0.843



 assi    (( resid 32   and name  HA  ))   (  resid 32   and name  HD# )      4.202     0.840     0.840



 assi    (  resid 33   and name  HB# )   (( resid 33   and name  HA  ))      3.088     0.618     0.618



 assi    (( resid 14   and name  HA  ))   (( resid 14   and name  HB2 ))      3.105     0.621     0.621



 assi    (( resid 15   and name  HA  ))   (  resid 15   and name  HG1#)      2.955     0.591     0.591



 assi    (( resid 15   and name  HB  ))   (  resid 15   and name  HG1#)      2.801     0.560     0.560



 assi    (( resid 16   and name  HB2 ))   (( resid 16   and name  HB1 ))      2.545     0.509     0.509



 assi    (( resid 17   and name  HB1 ))   (( resid 17   and name  HA  ))      3.260     0.652     0.652



 assi    (( resid 17   and name  HD1 ))   (( resid 17   and name  HA  ))      4.064     0.813     0.813



 assi    (( resid 17   and name  HD2 ))   (( resid 17   and name  HA  ))      4.199     0.840     0.840



 assi    (( resid 17   and name  HB2 ))   (( resid 17   and name  HB1 ))      2.523     0.505     0.505



 assi    (( resid 17   and name  HB2 ))   (( resid 17   and name  HD2 ))      3.290     0.658     0.658



 assi    (( resid 18   and name  HA  ))   (  resid 18   and name  HG1#)      2.906     0.581     0.581



 assi    (  resid 18   and name  HG1#)   (  resid 18   and name  HG2#)      2.857     0.571     0.571



 assi    (( resid 3    and name  HA  ))   (( resid 3    and name  HG2 ))      3.733     0.747     0.747



 assi    (( resid 3    and name  HD2 ))   (( resid 3    and name  HD1 ))      2.619     0.524     0.524



 assi    (( resid 3    and name  HA  ))   (( resid 3    and name  HB2 ))      2.984     0.597     0.597



 assi    (( resid 3    and name  HA  ))   (( resid 3    and name  HB1 ))      3.284     0.657     0.657



 assi    (( resid 3    and name  HD2 ))   (( resid 3    and name  HB1 ))      3.854     0.771     0.771



 assi    (( resid 2    and name  HA  ))   (  resid 2    and name  HB# )      3.320     0.664     0.664



 assi    (( resid 3    and name  HD1 ))   (( resid 2    and name  HA  ))      3.295     0.659     0.659



 assi    (( resid 3    and name  HD2 ))   (( resid 2    and name  HA  ))      3.493     0.699     0.699



 assi    (( resid 19   and name  HD1 ))   (  resid 18   and name  HG1#)      4.280     0.856     0.856



 assi    (( resid 19   and name  HB1 ))   (( resid 19   and name  HD1 ))      3.240     0.648     0.648



 assi    (( resid 8    and name  HA  ))   (( resid 11   and name  HB2 ))      3.514     0.703     0.703



 assi    (( resid 20   and name  HA  ))   (( resid 23   and name  HB1 ))      3.247     0.649     0.649



 assi    (( resid 24   and name  HB1 ))   (( resid 21   and name  HA  ))      3.344     0.669     0.669



 assi    (( resid 5    and name  HA  ))   (( resid 8    and name  HB1 ))      3.592     0.718     0.718



 assi    (( resid 19   and name  HD1 ))   (( resid 18   and name  HA  ))      2.633     0.527     0.527



 assi    (( resid 13   and name  HB2 ))   (( resid 23   and name  HB1 ))      4.146     0.829     0.829



 assi    (( resid 13   and name  HB1 ))   (( resid 23   and name  HB2 ))      4.289     0.858     0.858



 assi    (( resid 6    and name  HA  ))   (( resid 9    and name  HB1 ))      3.292     0.658     0.658



 assi    (  resid 6    and name  HB# )   (( resid 9    and name  HB1 ))      4.160     0.832     0.832



 assi    (( resid 6    and name  HA  ))   (  resid 30   and name  HD1#)      3.208     0.642     0.642



 assi    (  resid 6    and name  HB# )   (( resid 31   and name  HG2 ))      3.346     0.669     0.669



 assi    (( resid 3    and name  HB1 ))   (( resid 3    and name  HG2 ))      2.554     0.511     0.511



 assi    (  resid 6    and name  HB# )   (( resid 31   and name  HA  ))      3.434     0.687     0.687



 assi    (  resid 6    and name  HB# )   (( resid 31   and name  HG1 ))      3.712     0.742     0.742



 assi    (( resid 13   and name  HA  ))   (( resid 16   and name  HB2 ))      3.895     0.779     0.779



 assi    (( resid 13   and name  HA  ))   (  resid 18   and name  HG1#)      3.015     0.603     0.603



 assi    (( resid 13   and name  HB2 ))   (( resid 10   and name  HA  ))      3.839     0.768     0.768



 assi    (( resid 13   and name  HB1 ))   (( resid 10   and name  HA  ))      3.628     0.726     0.726



 assi    (  resid 10   and name  HE# )   (( resid 10   and name  HA  ))      4.234     0.847     0.847



 assi    (( resid 12   and name  HA  ))   (  resid 15   and name  HG2#)      3.042     0.608     0.608



 assi    (( resid 12   and name  HA  ))   (  resid 15   and name  HG1#)      3.677     0.735     0.735



 assi    (( resid 14   and name  HB2 ))   (  resid 18   and name  HG2#)      4.281     0.856     0.856



 assi    (( resid 14   and name  HA  ))   (( resid 17   and name  HA  ))      3.925     0.785     0.785



 assi    (( resid 16   and name  HB1 ))   (  resid 18   and name  HG1#)      3.286     0.657     0.657



 assi    (( resid 13   and name  HB1 ))   (( resid 18   and name  HB  ))      4.278     0.856     0.856



 assi    (  resid 22   and name  HB# )   (  resid 18   and name  HG2#)      2.800     0.560     0.560



 assi    (( resid 19   and name  HB1 ))   (  resid 18   and name  HG2#)      3.998     0.800     0.800



 assi    (  resid 26   and name  HE# )   (  resid 18   and name  HG2#)      3.382     0.676     0.676



 assi    (( resid 22   and name  HA  ))   (( resid 25   and name  HG2 ))      4.263     0.853     0.853



 assi    (  resid 6    and name  HB# )   (  resid 10   and name  HE# )      3.210     0.642     0.642



 assi    (( resid 24   and name  HB2 ))   (  resid 24   and name  HD# )      2.910     0.582     0.582



 assi    (  resid 24   and name  HD# )   (( resid 25   and name  HA  ))      3.663     0.733     0.733



 assi    (  resid 24   and name  HE# )   (( resid 28   and name  HB2 ))      3.925     0.785     0.785



 assi    (  resid 10   and name  HE# )   (( resid 24   and name  HA  ))      3.175     0.635     0.635



 assi    (( resid 13   and name  HA  ))   (  resid 18   and name  HG2#)      3.996     0.799     0.799



 assi    (  resid 26   and name  HE# )   (  resid 18   and name  HG1#)      3.441     0.688     0.688



 assi    (( resid 3    and name  HD2 ))   (( resid 3    and name  HG2 ))      3.487     0.697     0.697



 assi    (( resid 3    and name  HD1 ))   (( resid 3    and name  HG2 ))      3.686     0.737     0.737



 assi    (  resid 10   and name  HD# )   (( resid 10   and name  HA  ))      2.933     0.587     0.587



 assi    (( resid 24   and name  HA  ))   (( resid 27   and name  HN  ))      4.068     0.814     0.814



 assi    (( resid 26   and name  HB2 ))   (( resid 26   and name  HN  ))      3.039     0.608     0.608



 assi    (( resid 2    and name  HA  ))   (( resid 2    and name  HB1 ))      3.319     0.664     0.664



 assi    (  resid 20   and name  HD# )   (( resid 20   and name  HB2 ))      2.901     0.580     0.580



 assi    (( resid 19   and name  HA  ))   (  resid 19   and name  HG# )      3.584     0.717     0.717



 assi    (( resid 31   and name  HG2 ))   (( resid 31   and name  HN  ))      3.968     0.794     0.794



 assi    (( resid 13   and name  HB1 ))   (( resid 13   and name  HN  ))      3.172     0.634     0.634



 assi    (  resid 8    and name  HD# )   (( resid 9    and name  HN  ))      3.923     0.785     0.785



 assi    (( resid 13   and name  HB2 ))   (( resid 13   and name  HN  ))      3.510     0.702     0.702



 assi    (  resid 3    and name  HD# )   (( resid 4    and name  HN  ))      3.691     0.738     0.738



 assi    (( resid 29   and name  HA  ))   (( resid 29   and name  HG2 ))      3.485     0.697     0.697



 assi    (  resid 20   and name  HD# )   (( resid 20   and name  HB1 ))      2.942     0.588     0.588



 assi    (( resid 11   and name  HB2 ))   (( resid 11   and name  HN  ))      3.355     0.671     0.671



 assi    (  resid 8    and name  HD# )   (( resid 8    and name  HB1 ))      2.915     0.583     0.583



 assi    (( resid 30   and name  HN  ))   (( resid 31   and name  HN  ))      3.200     0.640     0.640



 assi    (( resid 10   and name  HB2 ))   (( resid 10   and name  HN  ))      3.175     0.635     0.635



 assi    (( resid 5    and name  HN  ))   (( resid 4    and name  HN  ))      3.345     0.669     0.669



 assi    (( resid 7    and name  HG2 ))   (( resid 7    and name  HG1 ))      2.787     0.557     0.557



 assi    (( resid 10   and name  HB1 ))   (( resid 11   and name  HN  ))      3.904     0.781     0.781



 assi    (( resid 21   and name  HB1 ))   (( resid 21   and name  HN  ))      3.402     0.680     0.680



 assi    (( resid 21   and name  HA  ))   (( resid 21   and name  HN  ))      3.280     0.656     0.656



 assi    (( resid 15   and name  HB  ))   (  resid 15   and name  HG2#)      2.802     0.560     0.560



 assi    (  resid 30   and name  HD2#)   (( resid 30   and name  HN  ))      3.957     0.791     0.791



 assi    (( resid 10   and name  HN  ))   (( resid 11   and name  HN  ))      3.424     0.685     0.685



 assi    (  resid 5    and name  HG# )   (( resid 5    and name  HE22))      4.194     0.839     0.839



 assi    (  resid 18   and name  HG1#)   (( resid 18   and name  HB  ))      2.836     0.567     0.567



 assi    (( resid 20   and name  HA  ))   (( resid 21   and name  HN  ))      4.160     0.832     0.832



 assi    (  resid 10   and name  HD# )   (( resid 10   and name  HB1 ))      2.911     0.582     0.582



 assi    (( resid 10   and name  HB1 ))   (( resid 10   and name  HN  ))      3.524     0.705     0.705



 assi    (( resid 10   and name  HB2 ))   (( resid 11   and name  HN  ))      3.667     0.733     0.733



 assi    (( resid 29   and name  HB1 ))   (( resid 29   and name  HA  ))      2.936     0.587     0.587



 assi    (( resid 30   and name  HG  ))   (  resid 30   and name  HD1#)      2.954     0.591     0.591



 assi    (( resid 30   and name  HG  ))   (( resid 30   and name  HN  ))      3.229     0.646     0.646



 assi    (( resid 9    and name  HB1 ))   (  resid 30   and name  HD1#)      3.527     0.705     0.705



 assi    (( resid 25   and name  HA  ))   (( resid 25   and name  HN  ))      3.420     0.684     0.684



 assi    (( resid 30   and name  HG  ))   (  resid 30   and name  HD2#)      2.892     0.578     0.578



 assi    (( resid 16   and name  HB2 ))   (  resid 18   and name  HG1#)      3.139     0.628     0.628



 assi    (( resid 29   and name  HA  ))   (( resid 29   and name  HG1 ))      3.803     0.761     0.761



 assi    (( resid 30   and name  HB1 ))   (( resid 30   and name  HN  ))      3.329     0.666     0.666



 assi    (( resid 8    and name  HB1 ))   (( resid 9    and name  HN  ))      3.731     0.746     0.746



 assi    (( resid 30   and name  HB2 ))   (( resid 30   and name  HA  ))      3.068     0.614     0.614



 assi    (  resid 24   and name  HD# )   (( resid 24   and name  HN  ))      4.031     0.806     0.806



 assi    (( resid 15   and name  HA  ))   (( resid 15   and name  HB  ))      3.248     0.650     0.650



 assi    (( resid 24   and name  HB1 ))   (  resid 24   and name  HD# )      2.898     0.580     0.580



 assi    (( resid 30   and name  HB1 ))   (  resid 30   and name  HD2#)      3.616     0.723     0.723



 assi    (( resid 20   and name  HN  ))   (( resid 21   and name  HN  ))      3.445     0.689     0.689



 assi    (( resid 20   and name  HB2 ))   (( resid 20   and name  HN  ))      3.379     0.676     0.676



 assi    (( resid 22   and name  HA  ))   (( resid 25   and name  HN  ))      3.742     0.748     0.748



 assi    (( resid 10   and name  HA  ))   (( resid 13   and name  HN  ))      3.652     0.730     0.730



 assi    (  resid 20   and name  HD# )   (( resid 20   and name  HN  ))      3.886     0.777     0.777



 assi    (( resid 4    and name  HE21))   (( resid 4    and name  HE22))      2.103     0.383     0.421



 assi    (( resid 9    and name  HA  ))   (( resid 10   and name  HN  ))      4.039     0.808     0.808



 assi    (( resid 19   and name  HA  ))   (( resid 20   and name  HN  ))      2.826     0.565     0.565



 assi    (( resid 20   and name  HB1 ))   (( resid 20   and name  HA  ))      3.069     0.614     0.614



 assi    (( resid 30   and name  HA  ))   (( resid 30   and name  HG  ))      3.533     0.707     0.707



 assi    (( resid 22   and name  HE21))   (( resid 22   and name  HE22))      2.109     0.389     0.422



 assi    (  resid 30   and name  HD1#)   (( resid 30   and name  HN  ))      3.986     0.797     0.797



 assi    (( resid 31   and name  HB1 ))   (( resid 31   and name  HN  ))      3.423     0.685     0.685



 assi    (  resid 5    and name  HG# )   (( resid 5    and name  HN  ))      3.407     0.681     0.681



 assi    (( resid 4    and name  HA  ))   (( resid 7    and name  HN  ))      3.709     0.742     0.742



 assi    (( resid 5    and name  HA  ))   (( resid 7    and name  HN  ))      4.030     0.806     0.806



 assi    (( resid 19   and name  HB2 ))   (( resid 19   and name  HD2 ))      4.144     0.829     0.829



 assi    (( resid 14   and name  HB2 ))   (( resid 14   and name  HN  ))      3.397     0.679     0.679



 assi    (( resid 12   and name  HG1 ))   (( resid 12   and name  HB1 ))      2.262     0.452     0.452



 assi    (( resid 19   and name  HB2 ))   (( resid 19   and name  HB1 ))      2.559     0.512     0.512



 assi    (( resid 12   and name  HB2 ))   (( resid 13   and name  HN  ))      4.311     0.862     0.862



 assi    (( resid 17   and name  HD2 ))   (( resid 17   and name  HD1 ))      2.476     0.495     0.495



 assi    (( resid 4    and name  HG1 ))   (( resid 5    and name  HN  ))      4.334     0.867     0.867



 assi    (( resid 14   and name  HA  ))   (( resid 14   and name  HN  ))      3.662     0.732     0.732



 assi    (( resid 12   and name  HB1 ))   (( resid 13   and name  HN  ))      4.025     0.805     0.805



 assi    (( resid 9    and name  HB2 ))   (( resid 10   and name  HN  ))      3.821     0.764     0.764



 assi    (  resid 15   and name  HG1#)   (( resid 12   and name  HE22))      4.364     0.873     0.873



 assi    (( resid 12   and name  HG2 ))   (( resid 13   and name  HN  ))      3.644     0.729     0.729



 assi    (( resid 8    and name  HA  ))   (( resid 11   and name  HN  ))      3.774     0.755     0.755



 assi    (( resid 24   and name  HB1 ))   (( resid 25   and name  HN  ))      3.617     0.723     0.723



 assi    (  resid 15   and name  HG2#)   (( resid 12   and name  HE22))      4.064     0.813     0.813



 assi    (( resid 14   and name  HN  ))   (( resid 15   and name  HN  ))      3.540     0.708     0.708



 assi    (( resid 7    and name  HN  ))   (( resid 8    and name  HN  ))      3.226     0.645     0.645



 assi    (  resid 18   and name  HG2#)   (( resid 23   and name  HN  ))      3.662     0.732     0.732



 assi    (  resid 30   and name  HD2#)   (( resid 31   and name  HB2 ))      3.934     0.787     0.787



 assi    (( resid 29   and name  HD1 ))   (( resid 29   and name  HG2 ))      3.607     0.721     0.721



 assi    (( resid 15   and name  HA  ))   (( resid 15   and name  HN  ))      3.177     0.635     0.635



 assi    (( resid 13   and name  HB2 ))   (( resid 18   and name  HB  ))      3.330     0.666     0.666



 assi    (( resid 13   and name  HB1 ))   (( resid 14   and name  HN  ))      4.022     0.804     0.804



 assi    (( resid 29   and name  HD2 ))   (( resid 29   and name  HB1 ))      3.922     0.784     0.784



 assi    (( resid 12   and name  HG1 ))   (( resid 13   and name  HN  ))      4.240     0.848     0.848



 assi    (( resid 29   and name  HB2 ))   (( resid 29   and name  HA  ))      3.254     0.651     0.651



 assi    (( resid 29   and name  HD1 ))   (( resid 29   and name  HB2 ))      3.617     0.723     0.723



 assi    (( resid 16   and name  HD21))   (( resid 16   and name  HD22))      2.139     0.419     0.428



 assi    (( resid 23   and name  HA  ))   (( resid 23   and name  HB1 ))      3.409     0.682     0.682



 assi    (( resid 9    and name  HB2 ))   (( resid 9    and name  HN  ))      3.100     0.620     0.620



 assi    (( resid 24   and name  HA  ))   (( resid 25   and name  HN  ))      3.977     0.795     0.795



 assi    (( resid 29   and name  HD2 ))   (( resid 29   and name  HB2 ))      3.850     0.770     0.770



 assi    (( resid 29   and name  HD2 ))   (( resid 29   and name  HG2 ))      3.164     0.633     0.633



 assi    (( resid 23   and name  HA  ))   (  resid 26   and name  HE# )      3.785     0.757     0.757



 assi    (( resid 29   and name  HD2 ))   (( resid 28   and name  HA  ))      3.444     0.689     0.689



 assi    (( resid 13   and name  HB2 ))   (( resid 23   and name  HB2 ))      3.826     0.765     0.765



 assi    (  resid 30   and name  HD1#)   (( resid 31   and name  HB2 ))      3.645     0.729     0.729



 assi    (( resid 12   and name  HA  ))   (( resid 15   and name  HN  ))      3.530     0.706     0.706



 assi    (( resid 13   and name  HB2 ))   (( resid 14   and name  HN  ))      4.290     0.858     0.858



 assi    (( resid 16   and name  HB2 ))   (( resid 16   and name  HD22))      3.605     0.721     0.721



 assi    (  resid 6    and name  HB# )   (( resid 31   and name  HN  ))      4.300     0.860     0.860



 assi    (( resid 21   and name  HB2 ))   (( resid 21   and name  HB1 ))      2.195     0.439     0.439



 assi    (( resid 23   and name  HA  ))   (( resid 26   and name  HB2 ))      4.110     0.822     0.822



 assi    (( resid 12   and name  HB2 ))   (( resid 12   and name  HN  ))      3.408     0.682     0.682



 assi    (( resid 14   and name  HA  ))   (( resid 15   and name  HN  ))      3.820     0.764     0.764



 assi    (( resid 18   and name  HN  ))   (( resid 17   and name  HN  ))      3.724     0.745     0.745



 assi    (( resid 14   and name  HA  ))   (( resid 17   and name  HN  ))      4.152     0.830     0.830



 assi    (( resid 23   and name  HA  ))   (( resid 23   and name  HB2 ))      3.147     0.629     0.629



 assi    (( resid 28   and name  HB2 ))   (( resid 28   and name  HN  ))      3.603     0.721     0.721



 assi    (( resid 31   and name  HG1 ))   (( resid 31   and name  HN  ))      3.757     0.751     0.751



 assi    (( resid 5    and name  HB2 ))   (( resid 5    and name  HN  ))      3.212     0.642     0.642



 assi    (  resid 4    and name  HG# )   (( resid 4    and name  HN  ))      3.553     0.711     0.711



 assi    (( resid 24   and name  HA  ))   (( resid 24   and name  HN  ))      3.357     0.671     0.671



 assi    (( resid 9    and name  HB1 ))   (( resid 9    and name  HN  ))      3.198     0.640     0.640



 assi    (( resid 26   and name  HA  ))   (( resid 26   and name  HN  ))      3.407     0.681     0.681



 assi    (( resid 3    and name  HG1 ))   (( resid 2    and name  HN  ))      4.093     0.819     0.819



 assi    (  resid 26   and name  HE# )   (( resid 27   and name  HN  ))      3.796     0.759     0.759



 assi    (( resid 32   and name  HA  ))   (( resid 32   and name  HN  ))      3.574     0.715     0.715



 assi    (( resid 19   and name  HB1 ))   (( resid 21   and name  HN  ))      3.993     0.799     0.799



 assi    (  resid 8    and name  HD# )   (( resid 8    and name  HB2 ))      2.952     0.590     0.590



 assi    (( resid 24   and name  HB2 ))   (( resid 24   and name  HA  ))      3.128     0.626     0.626



 assi    (( resid 18   and name  HA  ))   (  resid 18   and name  HG2#)      2.956     0.591     0.591



 assi    (( resid 8    and name  HB2 ))   (( resid 9    and name  HN  ))      3.535     0.707     0.707



 assi    (( resid 5    and name  HG2 ))   (( resid 5    and name  HN  ))      3.613     0.723     0.723



 assi    (( resid 24   and name  HN  ))   (( resid 25   and name  HN  ))      3.490     0.698     0.698



 assi    (  resid 33   and name  HB# )   (( resid 33   and name  HN  ))      3.858     0.772     0.772



 assi    (( resid 26   and name  HG2 ))   (  resid 26   and name  HE# )      3.596     0.719     0.719



 assi    (( resid 20   and name  HA  ))   (( resid 24   and name  HN  ))      4.227     0.845     0.845



 assi    (  resid 24   and name  HD# )   (  resid 24   and name  HE# )      2.358     0.472     0.472



 assi    (( resid 29   and name  HA  ))   (( resid 30   and name  HN  ))      3.764     0.753     0.753



 assi    (( resid 6    and name  HA  ))   (( resid 6    and name  HN  ))      3.294     0.659     0.659



 assi    (  resid 6    and name  HB# )   (( resid 6    and name  HN  ))      2.824     0.565     0.565



 assi    (( resid 16   and name  HB1 ))   (( resid 16   and name  HD22))      4.006     0.801     0.801



 assi    (  resid 10   and name  HE# )   (  resid 24   and name  HD# )      3.634     0.727     0.727



 assi    (  resid 15   and name  HG2#)   (( resid 15   and name  HN  ))      2.882     0.576     0.576



 assi    (( resid 24   and name  HB2 ))   (( resid 24   and name  HB1 ))      2.576     0.515     0.515



 assi    (( resid 6    and name  HA  ))   (  resid 6    and name  HB# )      2.801     0.560     0.560



 assi    (( resid 23   and name  HB2 ))   (( resid 23   and name  HB1 ))      2.573     0.515     0.515



 assi    (( resid 13   and name  HA  ))   (( resid 12   and name  HN  ))      4.043     0.809     0.809



 assi    (( resid 23   and name  HB2 ))   (( resid 24   and name  HN  ))      3.722     0.744     0.744



 assi    (( resid 30   and name  HB2 ))   (  resid 30   and name  HD2#)      3.275     0.655     0.655



 assi    (( resid 24   and name  HB1 ))   (( resid 24   and name  HA  ))      3.575     0.715     0.715



 assi    (( resid 16   and name  HB2 ))   (( resid 16   and name  HN  ))      3.167     0.633     0.633



 assi    (( resid 8    and name  HA  ))   (( resid 8    and name  HB2 ))      3.055     0.611     0.611



 assi    (( resid 10   and name  HA  ))   (( resid 10   and name  HB1 ))      3.198     0.640     0.640



 assi    (  resid 18   and name  HG2#)   (( resid 18   and name  HB  ))      2.896     0.579     0.579



 assi    (( resid 14   and name  HD21))   (( resid 14   and name  HD22))      2.146     0.426     0.429



 assi    (( resid 29   and name  HD1 ))   (( resid 30   and name  HN  ))      4.014     0.803     0.803



 assi    (  resid 15   and name  HG1#)   (( resid 15   and name  HN  ))      3.252     0.650     0.650



 assi    (( resid 23   and name  HA  ))   (( resid 26   and name  HN  ))      4.090     0.818     0.818



 assi    (( resid 6    and name  HA  ))   (  resid 10   and name  HD# )      4.096     0.819     0.819



 assi    (( resid 26   and name  HG1 ))   (( resid 26   and name  HA  ))      3.942     0.788     0.788



 assi    (( resid 10   and name  HA  ))   (( resid 10   and name  HN  ))      3.430     0.686     0.686



 assi    (  resid 15   and name  HG1#)   (  resid 15   and name  HG2#)      2.509     0.502     0.502



 assi    (( resid 30   and name  HB2 ))   (( resid 30   and name  HN  ))      3.850     0.770     0.770



 assi    (  resid 10   and name  HD# )   (( resid 7    and name  HA  ))      3.416     0.683     0.683



 assi    (( resid 26   and name  HB2 ))   (( resid 26   and name  HA  ))      3.097     0.619     0.619



 assi    (( resid 11   and name  HG1 ))   (( resid 11   and name  HN  ))      3.615     0.723     0.723



 assi    (  resid 3    and name  HD# )   (( resid 3    and name  HB1 ))      3.735     0.747     0.747



 assi    (( resid 31   and name  HA  ))   (( resid 31   and name  HG1 ))      3.713     0.743     0.743



 assi    (( resid 24   and name  HB1 ))   (( resid 24   and name  HN  ))      3.173     0.635     0.635



 assi    (( resid 11   and name  HA  ))   (( resid 11   and name  HN  ))      3.333     0.667     0.667



 assi    (( resid 17   and name  HA  ))   (( resid 17   and name  HN  ))      2.837     0.567     0.567



 assi    (( resid 21   and name  HA  ))   (( resid 24   and name  HN  ))      4.068     0.814     0.814



 assi    (( resid 12   and name  HE21))   (( resid 12   and name  HE22))      2.211     0.442     0.442



 assi    (( resid 5    and name  HE21))   (( resid 5    and name  HE22))      2.072     0.352     0.414



 assi    (  resid 25   and name  HB# )   (( resid 25   and name  HN  ))      3.032     0.606     0.606



 assi    (( resid 3    and name  HA  ))   (( resid 6    and name  HN  ))      4.161     0.832     0.832



 assi    (( resid 26   and name  HG2 ))   (( resid 26   and name  HG1 ))      2.102     0.382     0.420



 assi    (( resid 26   and name  HA  ))   (( resid 27   and name  HN  ))      4.033     0.807     0.807



 assi    (( resid 5    and name  HA  ))   (( resid 6    and name  HN  ))      3.309     0.662     0.662



 assi    (( resid 25   and name  HG2 ))   (( resid 25   and name  HN  ))      4.073     0.815     0.815



 assi    (( resid 9    and name  HN  ))   (( resid 10   and name  HN  ))      3.391     0.678     0.678



 assi    (  resid 10   and name  HD# )   (( resid 27   and name  HB1 ))      4.396     0.879     0.879



 assi    (( resid 12   and name  HG1 ))   (( resid 12   and name  HE21))      4.055     0.811     0.811



 assi    (( resid 23   and name  HA  ))   (( resid 25   and name  HN  ))      4.219     0.844     0.844



 assi    (( resid 16   and name  HB1 ))   (( resid 16   and name  HD21))      3.611     0.722     0.722



 assi    (( resid 9    and name  HB1 ))   (( resid 10   and name  HN  ))      3.345     0.669     0.669



 assi    (( resid 31   and name  HA  ))   (( resid 31   and name  HN  ))      3.532     0.706     0.706



 assi    (( resid 4    and name  HA  ))   (( resid 5    and name  HN  ))      3.274     0.655     0.655



 assi    (  resid 10   and name  HD# )   (( resid 10   and name  HB2 ))      2.887     0.577     0.577



 assi    (( resid 11   and name  HB1 ))   (( resid 11   and name  HN  ))      3.155     0.631     0.631



 assi    (( resid 11   and name  HB2 ))   (( resid 11   and name  HA  ))      2.844     0.569     0.569



 assi    (( resid 5    and name  HA  ))   (( resid 8    and name  HN  ))      4.021     0.804     0.804



 assi    (( resid 3    and name  HA  ))   (( resid 4    and name  HN  ))      3.130     0.626     0.626



 assi    (( resid 5    and name  HA  ))   (  resid 8    and name  HD# )      3.839     0.768     0.768



 assi    (( resid 17   and name  HN  ))   (( resid 16   and name  HA  ))      4.385     0.877     0.877



 assi    (( resid 12   and name  HB1 ))   (( resid 12   and name  HE21))      3.659     0.732     0.732



 assi    (( resid 10   and name  HB2 ))   (( resid 10   and name  HB1 ))      2.502     0.500     0.500



 assi    (  resid 8    and name  HD# )   (( resid 8    and name  HA  ))      2.990     0.598     0.598



 assi    (( resid 8    and name  HB1 ))   (( resid 8    and name  HN  ))      3.109     0.622     0.622



 assi    (( resid 20   and name  HA  ))   (( resid 23   and name  HB2 ))      3.395     0.679     0.679



 assi    (( resid 20   and name  HA  ))   (( resid 20   and name  HN  ))      3.404     0.681     0.681



 assi    (( resid 15   and name  HA  ))   (  resid 15   and name  HG2#)      2.828     0.566     0.566



 assi    (( resid 26   and name  HN  ))   (( resid 27   and name  HN  ))      3.188     0.638     0.638



 assi    (( resid 15   and name  HB  ))   (( resid 15   and name  HN  ))      2.903     0.581     0.581



 assi    (( resid 20   and name  HB2 ))   (( resid 21   and name  HN  ))      3.452     0.690     0.690



 assi    (( resid 19   and name  HD2 ))   (( resid 19   and name  HD1 ))      2.487     0.497     0.497



 assi    (( resid 20   and name  HB1 ))   (( resid 20   and name  HN  ))      3.206     0.641     0.641



 assi    (( resid 19   and name  HD2 ))   (  resid 18   and name  HG2#)      3.042     0.608     0.608



 assi    (( resid 32   and name  HB2 ))   (( resid 32   and name  HN  ))      3.655     0.731     0.731



 assi    (( resid 24   and name  HA  ))   (( resid 28   and name  HN  ))      3.859     0.772     0.772



 assi    (( resid 23   and name  HB1 ))   (( resid 23   and name  HN  ))      3.692     0.738     0.738



 assi    (( resid 27   and name  HB2 ))   (( resid 27   and name  HN  ))      3.860     0.772     0.772



 assi    (( resid 28   and name  HA  ))   (( resid 28   and name  HN  ))      3.303     0.661     0.661



 assi    (( resid 5    and name  HA  ))   (( resid 8    and name  HB2 ))      3.745     0.749     0.749



 assi    (( resid 16   and name  HB2 ))   (( resid 16   and name  HD21))      3.245     0.649     0.649



 assi    (( resid 17   and name  HB1 ))   (( resid 17   and name  HN  ))      4.139     0.828     0.828



 assi    (( resid 25   and name  HG1 ))   (( resid 25   and name  HN  ))      3.968     0.794     0.794



 assi    (( resid 27   and name  HB1 ))   (( resid 27   and name  HN  ))      3.545     0.709     0.709



 assi    (( resid 26   and name  HN  ))   (( resid 28   and name  HN  ))      4.137     0.827     0.827



 assi    (( resid 19   and name  HD1 ))   (  resid 18   and name  HG2#)      3.445     0.689     0.689



 assi    (( resid 24   and name  HB2 ))   (( resid 25   and name  HN  ))      3.915     0.783     0.783



 assi    (( resid 26   and name  HB2 ))   (( resid 27   and name  HN  ))      3.761     0.752     0.752



 assi    (( resid 26   and name  HG1 ))   (  resid 26   and name  HE# )      3.991     0.798     0.798



 assi    (( resid 28   and name  HA  ))   (( resid 31   and name  HN  ))      4.032     0.806     0.806



 assi    (( resid 27   and name  HA  ))   (( resid 28   and name  HN  ))      3.996     0.799     0.799



 assi    (( resid 27   and name  HN  ))   (( resid 28   and name  HN  ))      3.123     0.625     0.625



 assi    (( resid 17   and name  HN  ))   (( resid 16   and name  HN  ))      3.447     0.689     0.689



 assi    (( resid 17   and name  HB2 ))   (( resid 17   and name  HN  ))      4.188     0.838     0.838



 assi    (( resid 32   and name  HB1 ))   (( resid 32   and name  HN  ))      4.189     0.838     0.838



 assi    (  resid 22   and name  HB# )   (( resid 23   and name  HN  ))      3.354     0.671     0.671



 assi    (( resid 22   and name  HA  ))   (( resid 22   and name  HN  ))      3.416     0.683     0.683



 assi    (( resid 13   and name  HA  ))   (( resid 18   and name  HB  ))      3.185     0.637     0.637



 assi    (( resid 2    and name  HB1 ))   (( resid 2    and name  HN  ))      4.038     0.808     0.808



 assi    (( resid 7    and name  HA  ))   (( resid 8    and name  HN  ))      3.998     0.800     0.800



 assi    (( resid 17   and name  HA  ))   (( resid 18   and name  HN  ))      3.762     0.752     0.752



 assi    (( resid 29   and name  HB1 ))   (( resid 29   and name  HG2 ))      3.234     0.647     0.647



 assi    (  resid 5    and name  HB# )   (( resid 5    and name  HN  ))      2.981     0.596     0.596



 assi    (( resid 22   and name  HG1 ))   (( resid 22   and name  HN  ))      3.885     0.777     0.777



 assi    (( resid 2    and name  HA  ))   (( resid 2    and name  HN  ))      3.964     0.793     0.793



 assi    (( resid 4    and name  HA  ))   (( resid 7    and name  HB2 ))      3.867     0.773     0.773



 assi    (( resid 21   and name  HB1 ))   (( resid 22   and name  HN  ))      3.941     0.788     0.788



 assi    (( resid 22   and name  HG2 ))   (( resid 22   and name  HN  ))      4.243     0.849     0.849



 assi    (( resid 29   and name  HD1 ))   (( resid 26   and name  HA  ))      4.365     0.873     0.873



 assi    (( resid 21   and name  HB2 ))   (( resid 21   and name  HN  ))      3.429     0.686     0.686



 assi    (( resid 27   and name  HA  ))   (( resid 27   and name  HN  ))      3.689     0.738     0.738



 assi    (  resid 6    and name  HB# )   (( resid 31   and name  HB2 ))      3.683     0.737     0.737



 assi    (( resid 30   and name  HA  ))   (( resid 31   and name  HN  ))      3.708     0.742     0.742



 assi    (( resid 7    and name  HA  ))   (( resid 7    and name  HN  ))      3.340     0.668     0.668



 assi    (( resid 29   and name  HB2 ))   (( resid 29   and name  HB1 ))      2.522     0.504     0.504



 assi    (( resid 31   and name  HB2 ))   (( resid 31   and name  HB1 ))      2.496     0.499     0.499



 assi    (( resid 23   and name  HA  ))   (( resid 23   and name  HN  ))      3.804     0.761     0.761



 assi    (  resid 4    and name  HB# )   (( resid 4    and name  HN  ))      2.884     0.577     0.577



 assi    (( resid 19   and name  HD2 ))   (( resid 18   and name  HB  ))      3.885     0.777     0.777



 assi    (( resid 18   and name  HN  ))   (( resid 15   and name  HN  ))      3.938     0.788     0.788



 assi    (( resid 22   and name  HA  ))   (( resid 23   and name  HN  ))      4.272     0.854     0.854



 assi    (( resid 19   and name  HD2 ))   (  resid 22   and name  HB# )      3.456     0.691     0.691



 assi    (( resid 24   and name  HB2 ))   (( resid 24   and name  HN  ))      3.105     0.621     0.621



 assi    (( resid 29   and name  HD1 ))   (( resid 28   and name  HN  ))      3.624     0.725     0.725



 assi    (( resid 21   and name  HA  ))   (( resid 22   and name  HN  ))      4.067     0.813     0.813



 assi    (( resid 16   and name  HB1 ))   (( resid 16   and name  HN  ))      3.571     0.714     0.714



 assi    (( resid 21   and name  HA  ))   (  resid 24   and name  HD# )      4.294     0.859     0.859



 assi    (( resid 19   and name  HB2 ))   (( resid 20   and name  HN  ))      3.994     0.799     0.799



 assi    (( resid 19   and name  HA  ))   (( resid 19   and name  HB1 ))      3.246     0.649     0.649



 assi    (  resid 20   and name  HD# )   (( resid 20   and name  HA  ))      3.166     0.633     0.633



 assi    (( resid 2    and name  HB2 ))   (( resid 2    and name  HN  ))      4.071     0.814     0.814



 assi    (( resid 23   and name  HB1 ))   (( resid 24   and name  HN  ))      3.421     0.684     0.684



 assi    (( resid 14   and name  HB2 ))   (( resid 15   and name  HN  ))      3.597     0.719     0.719



 assi    (( resid 29   and name  HD2 ))   (( resid 30   and name  HN  ))      4.383     0.877     0.877



 assi    (( resid 23   and name  HB2 ))   (( resid 23   and name  HN  ))      3.476     0.695     0.695



 assi    (( resid 18   and name  HA  ))   (( resid 18   and name  HB  ))      3.453     0.691     0.691



 assi    (( resid 13   and name  HA  ))   (( resid 13   and name  HN  ))      3.319     0.664     0.664



 assi    (( resid 26   and name  HG2 ))   (( resid 26   and name  HA  ))      4.024     0.805     0.805



 assi    (( resid 12   and name  HG1 ))   (( resid 12   and name  HA  ))      3.781     0.756     0.756



 assi    (( resid 5    and name  HA  ))   (( resid 5    and name  HN  ))      3.331     0.666     0.666



 assi    (( resid 7    and name  HB1 ))   (( resid 7    and name  HN  ))      3.035     0.607     0.607



 assi    (( resid 5    and name  HB2 ))   (( resid 6    and name  HN  ))      3.376     0.675     0.675



 assi    (( resid 19   and name  HB1 ))   (( resid 22   and name  HN  ))      3.723     0.745     0.745



 assi    (( resid 31   and name  HN  ))   (( resid 32   and name  HN  ))      3.263     0.653     0.653



 assi    (  resid 22   and name  HB# )   (( resid 22   and name  HN  ))      2.998     0.600     0.600



 assi    (( resid 19   and name  HD1 ))   (  resid 19   and name  HG# )      3.348     0.670     0.670



 assi    (( resid 16   and name  HN  ))   (( resid 16   and name  HA  ))      3.777     0.755     0.755



 assi    (( resid 22   and name  HA  ))   (( resid 22   and name  HG1 ))      3.493     0.699     0.699



 assi    (( resid 19   and name  HB1 ))   (( resid 19   and name  HD2 ))      3.201     0.640     0.640



 assi    (  resid 22   and name  HB# )   (( resid 22   and name  HG1 ))      2.650     0.530     0.530



 assi    (( resid 13   and name  HA  ))   (( resid 13   and name  HB1 ))      3.311     0.662     0.662



 assi    (( resid 13   and name  HB2 ))   (( resid 13   and name  HB1 ))      2.625     0.525     0.525



 assi    (( resid 31   and name  HA  ))   (( resid 31   and name  HB2 ))      3.172     0.634     0.634



 assi    (( resid 3    and name  HA  ))   (  resid 6    and name  HB# )      3.585     0.717     0.717



 assi    (( resid 9    and name  HA  ))   (  resid 8    and name  HD# )      4.039     0.808     0.808



 assi    (  resid 4    and name  HG# )   (( resid 4    and name  HA  ))      3.324     0.665     0.665



 assi    (( resid 19   and name  HB1 ))   (( resid 20   and name  HN  ))      4.155     0.831     0.831



 assi    (( resid 12   and name  HA  ))   (( resid 13   and name  HN  ))      4.008     0.802     0.802



 assi    (  resid 10   and name  HD# )   (( resid 9    and name  HB1 ))      3.735     0.747     0.747



 assi    (( resid 4    and name  HA  ))   (( resid 4    and name  HN  ))      3.173     0.635     0.635



 assi    (( resid 13   and name  HN  ))   (( resid 14   and name  HN  ))      3.458     0.692     0.692



 assi    (( resid 22   and name  HN  ))   (( resid 23   and name  HN  ))      3.312     0.662     0.662



 assi    (( resid 25   and name  HE21))   (( resid 25   and name  HE22))      2.076     0.356     0.415



 assi    (( resid 21   and name  HA  ))   (( resid 21   and name  HB1 ))      2.928     0.586     0.586



 assi    (( resid 26   and name  HA  ))   (  resid 26   and name  HE# )      3.361     0.672     0.672



 assi    (( resid 30   and name  HA  ))   (( resid 30   and name  HN  ))      3.485     0.697     0.697



 assi    (( resid 8    and name  HA  ))   (( resid 8    and name  HN  ))      3.407     0.681     0.681



 assi    (( resid 23   and name  HN  ))   (( resid 24   and name  HN  ))      3.604     0.721     0.721



 assi    (( resid 31   and name  HA  ))   (( resid 32   and name  HN  ))      3.556     0.711     0.711



 assi    (( resid 12   and name  HG2 ))   (( resid 12   and name  HA  ))      3.119     0.624     0.624



 assi    (( resid 19   and name  HD2 ))   (( resid 18   and name  HA  ))      2.844     0.569     0.569



 assi    (  resid 24   and name  HD# )   (( resid 24   and name  HA  ))      3.206     0.641     0.641



 assi    (( resid 4    and name  HB2 ))   (( resid 5    and name  HN  ))      3.384     0.677     0.677



 assi    (( resid 21   and name  HA  ))   (( resid 21   and name  HB2 ))      2.672     0.534     0.534



 assi    (( resid 18   and name  HA  ))   (( resid 18   and name  HN  ))      4.172     0.834     0.834



 assi    (( resid 19   and name  HD2 ))   (  resid 18   and name  HG1#)      4.072     0.814     0.814



 assi    (( resid 31   and name  HG2 ))   (( resid 31   and name  HB2 ))      2.943     0.589     0.589



 assi    (( resid 6    and name  HN  ))   (( resid 5    and name  HN  ))      3.137     0.627     0.627



 assi    (( resid 12   and name  HN  ))   (( resid 13   and name  HN  ))      3.272     0.654     0.654



 assi    (( resid 2    and name  HA  ))   (( resid 2    and name  HB2 ))      3.531     0.706     0.706



 assi    (  resid 18   and name  HG1#)   (( resid 18   and name  HN  ))      3.343     0.669     0.669



 assi    (( resid 6    and name  HN  ))   (( resid 7    and name  HN  ))      3.130     0.626     0.626



 assi    (( resid 19   and name  HB2 ))   (( resid 19   and name  HD1 ))      4.119     0.824     0.824



 assi    (( resid 33   and name  HA  ))   (( resid 33   and name  HN  ))      3.836     0.767     0.767



 assi    (( resid 12   and name  HG2 ))   (( resid 12   and name  HN  ))      3.030     0.606     0.606



 assi    (( resid 31   and name  HG1 ))   (( resid 31   and name  HB2 ))      3.299     0.660     0.660



 assi    (( resid 19   and name  HA  ))   (( resid 19   and name  HB2 ))      2.806     0.561     0.561



 assi    (( resid 12   and name  HG1 ))   (( resid 12   and name  HN  ))      3.558     0.712     0.712



 assi    (( resid 24   and name  HB2 ))   (  resid 20   and name  HD# )      3.933     0.787     0.787



 assi    (( resid 8    and name  HB2 ))   (( resid 8    and name  HN  ))      3.167     0.633     0.633



 assi    (  resid 8    and name  HE# )   (( resid 12   and name  HG1 ))      3.755     0.751     0.751



 assi    (( resid 8    and name  HA  ))   (( resid 8    and name  HB1 ))      3.099     0.620     0.620



 assi    (( resid 8    and name  HA  ))   (( resid 11   and name  HB1 ))      3.150     0.630     0.630



 assi    (( resid 32   and name  HB2 ))   (( resid 32   and name  HA  ))      3.477     0.695     0.695



 assi    (  resid 7    and name  HB# )   (( resid 8    and name  HN  ))      3.484     0.697     0.697



 assi    (  resid 20   and name  HD# )   (( resid 21   and name  HN  ))      3.892     0.778     0.778



 assi    (( resid 11   and name  HA  ))   (( resid 12   and name  HN  ))      4.195     0.839     0.839



 assi    (  resid 22   and name  HB# )   (( resid 22   and name  HG2 ))      3.076     0.615     0.615



 assi    (( resid 12   and name  HB2 ))   (( resid 12   and name  HA  ))      3.237     0.647     0.647



 assi    (  resid 26   and name  HE# )   (( resid 26   and name  HN  ))      3.529     0.706     0.706



 assi    (( resid 21   and name  HN  ))   (( resid 22   and name  HN  ))      3.337     0.667     0.667



 assi    (( resid 11   and name  HB2 ))   (( resid 11   and name  HB1 ))      2.584     0.517     0.517



 assi    (  resid 10   and name  HD# )   (( resid 10   and name  HN  ))      3.378     0.676     0.676



 assi    (( resid 12   and name  HA  ))   (( resid 12   and name  HN  ))      3.372     0.674     0.674



 assi    (( resid 8    and name  HA  ))   (( resid 9    and name  HN  ))      3.996     0.799     0.799



 assi    (( resid 20   and name  HB1 ))   (( resid 21   and name  HN  ))      3.905     0.781     0.781



 assi    (( resid 11   and name  HB1 ))   (( resid 11   and name  HG1 ))      3.578     0.716     0.716



 assi    (( resid 31   and name  HB2 ))   (( resid 31   and name  HN  ))      3.861     0.772     0.772



 assi    (( resid 9    and name  HA  ))   (( resid 9    and name  HN  ))      3.426     0.685     0.685



 assi    (( resid 11   and name  HA  ))   (( resid 11   and name  HG1 ))      3.661     0.732     0.732



 assi    (( resid 9    and name  HN  ))   (( resid 8    and name  HN  ))      3.213     0.643     0.643



 assi    (  resid 6    and name  HB# )   (( resid 7    and name  HN  ))      3.147     0.629     0.629



 assi    (( resid 11   and name  HB1 ))   (( resid 12   and name  HN  ))      3.768     0.754     0.754



 assi    (  resid 6    and name  HB# )   (( resid 31   and name  HB1 ))      3.915     0.783     0.783



 assi    (( resid 31   and name  HG2 ))   (( resid 31   and name  HB1 ))      2.829     0.566     0.566



 assi    (( resid 29   and name  HD2 ))   (( resid 28   and name  HN  ))      3.243     0.649     0.649



 assi    (  resid 8    and name  HD# )   (( resid 8    and name  HN  ))      4.015     0.803     0.803



 assi    (( resid 9    and name  HB2 ))   (  resid 30   and name  HD1#)      3.188     0.638     0.638



 assi    (( resid 11   and name  HN  ))   (( resid 12   and name  HN  ))      3.481     0.696     0.696



 assi    (( resid 17   and name  HB2 ))   (( resid 17   and name  HA  ))      2.850     0.570     0.570



 assi    (( resid 7    and name  HA  ))   (( resid 10   and name  HN  ))      4.054     0.811     0.811



 assi    (( resid 31   and name  HG2 ))   (( resid 31   and name  HG1 ))      2.433     0.487     0.487



 assi    (( resid 27   and name  HB1 ))   (( resid 28   and name  HN  ))      4.056     0.811     0.811



 assi    (( resid 28   and name  HB1 ))   (( resid 28   and name  HN  ))      3.406     0.681     0.681



 assi    (( resid 6    and name  HA  ))   (( resid 9    and name  HN  ))      3.785     0.757     0.757



 assi    (  resid 8    and name  HE# )   (( resid 12   and name  HB2 ))      4.053     0.811     0.811



 assi    (( resid 9    and name  HB1 ))   (( resid 27   and name  HB2 ))      3.805     0.761     0.761



 assi    (( resid 6    and name  HA  ))   (( resid 7    and name  HN  ))      3.807     0.761     0.761
 ASSIGN  (resid 2    and name C   ) (resid 3    and name N   )

         (resid 3    and name CA  ) (resid 3    and name C   )  1.00 -59.22 30.78 2



 ASSIGN  (resid 3    and name N   ) (resid 3    and name CA  )

         (resid 3    and name C   ) (resid 4    and name N   )  1.00 -41.88 28.12 2



 ASSIGN  (resid 3    and name C   ) (resid 4    and name N   )

         (resid 4    and name CA  ) (resid 4    and name C   )  1.00 -59.99 30.01 2



 ASSIGN  (resid 4    and name N   ) (resid 4    and name CA  )

         (resid 4    and name C   ) (resid 5    and name N   )  1.00 -42.49 27.51 2



 ASSIGN  (resid 4    and name C   ) (resid 5    and name N   )

         (resid 5    and name CA  ) (resid 5    and name C   )  1.00 -64.72 25.28 2



 ASSIGN  (resid 5    and name N   ) (resid 5    and name CA  )

         (resid 5    and name C   ) (resid 6    and name N   )  1.00 -43.50 16.50 2



 ASSIGN  (resid 5    and name C   ) (resid 6    and name N   )

         (resid 6    and name CA  ) (resid 6    and name C   )  1.00 -64.71 15.29 2



 ASSIGN  (resid 6    and name N   ) (resid 6    and name CA  )

         (resid 6    and name C   ) (resid 7    and name N   )  1.00 -44.72 25.28 2



 ASSIGN  (resid 6    and name C   ) (resid 7    and name N   )

         (resid 7    and name CA  ) (resid 7    and name C   )  1.00 -64.00 16.00 2



 ASSIGN  (resid 7    and name N   ) (resid 7    and name CA  )

         (resid 7    and name C   ) (resid 8    and name N   )  1.00 -43.87 26.13 2



 ASSIGN  (resid 7    and name C   ) (resid 8    and name N   )

         (resid 8    and name CA  ) (resid 8    and name C   )  1.00 -62.29 27.71 2



 ASSIGN  (resid 8    and name N   ) (resid 8    and name CA  )

         (resid 8    and name C   ) (resid 9    and name N   )  1.00 -35.95 34.05 2



 ASSIGN  (resid 8    and name C   ) (resid 9    and name N   )

         (resid 9    and name CA  ) (resid 9    and name C   )  1.00 -64.94 25.06 2



 ASSIGN  (resid 9    and name N   ) (resid 9    and name CA  )

         (resid 9    and name C   ) (resid 10   and name N   )  1.00 -44.63 25.37 2



 ASSIGN  (resid 9    and name C   ) (resid 10   and name N   )

         (resid 10   and name CA  ) (resid 10   and name C   )  1.00 -64.16 15.84 2



 ASSIGN  (resid 10   and name N   ) (resid 10   and name CA  )

         (resid 10   and name C   ) (resid 11   and name N   )  1.00 -44.64 25.36 2



 ASSIGN  (resid 10   and name C   ) (resid 11   and name N   )

         (resid 11   and name CA  ) (resid 11   and name C   )  1.00 -64.18 25.82 2



 ASSIGN  (resid 11   and name N   ) (resid 11   and name CA  )

         (resid 11   and name C   ) (resid 12   and name N   )  1.00 -44.25 25.75 2



 ASSIGN  (resid 11   and name C   ) (resid 12   and name N   )

         (resid 12   and name CA  ) (resid 12   and name C   )  1.00 -64.41 15.59 2



 ASSIGN  (resid 12   and name N   ) (resid 12   and name CA  )

         (resid 12   and name C   ) (resid 13   and name N   )  1.00 -44.56 25.44 2



 ASSIGN  (resid 12   and name C   ) (resid 13   and name N   )

         (resid 13   and name CA  ) (resid 13   and name C   )  1.00 -64.60 25.40 2



 ASSIGN  (resid 13   and name N   ) (resid 13   and name CA  )

         (resid 13   and name C   ) (resid 14   and name N   )  1.00 -42.42 17.58 2



 ASSIGN  (resid 13   and name C   ) (resid 14   and name N   )

         (resid 14   and name CA  ) (resid 14   and name C   )  1.00 -64.88 15.12 2



 ASSIGN  (resid 14   and name N   ) (resid 14   and name CA  )

         (resid 14   and name C   ) (resid 15   and name N   )  1.00 -44.74 15.26 2



 ASSIGN  (resid 14   and name C   ) (resid 15   and name N   )

         (resid 15   and name CA  ) (resid 15   and name C   )  1.00 -64.97 25.03 2



 ASSIGN  (resid 15   and name N   ) (resid 15   and name CA  )

         (resid 15   and name C   ) (resid 16   and name N   )  1.00 -44.91 15.09 2



 ASSIGN  (resid 15   and name C   ) (resid 16   and name N   )

         (resid 16   and name CA  ) (resid 16   and name C   )  1.00 -61.85 28.15 2



 ASSIGN  (resid 16   and name N   ) (resid 16   and name CA  )

         (resid 16   and name C   ) (resid 17   and name N   )  1.00 -43.88 26.12 2



 ASSIGN  (resid 16   and name C   ) (resid 17   and name N   )

         (resid 17   and name CA  ) (resid 17   and name C   )  1.00 -118.01 61.99 2



 ASSIGN  (resid 17   and name N   ) (resid 17   and name CA  )

         (resid 17   and name C   ) (resid 18   and name N   )  1.00 151.59 61.59 2



 ASSIGN  (resid 17   and name C   ) (resid 18   and name N   )

         (resid 18   and name CA  ) (resid 18   and name C   )  1.00 -117.82 42.18 2



 ASSIGN  (resid 18   and name N   ) (resid 18   and name CA  )

         (resid 18   and name C   ) (resid 19   and name N   )  1.00 124.72 34.72 2



 ASSIGN  (resid 18   and name C   ) (resid 19   and name N   )

         (resid 19   and name CA  ) (resid 19   and name C   )  1.00 -55.11 24.89 2



 ASSIGN  (resid 19   and name N   ) (resid 19   and name CA  )

         (resid 19   and name C   ) (resid 20   and name N   )  1.00 137.07 17.07 2



 ASSIGN  (resid 19   and name C   ) (resid 20   and name N   )

         (resid 20   and name CA  ) (resid 20   and name C   )  1.00 -64.36 25.64 2



 ASSIGN  (resid 20   and name N   ) (resid 20   and name CA  )

         (resid 20   and name C   ) (resid 21   and name N   )  1.00 -24.42 45.58 2



 ASSIGN  (resid 20   and name C   ) (resid 21   and name N   )

         (resid 21   and name CA  ) (resid 21   and name C   )  1.00 -57.81 22.19 2



 ASSIGN  (resid 21   and name N   ) (resid 21   and name CA  )

         (resid 21   and name C   ) (resid 22   and name N   )  1.00 -44.79 25.21 2



 ASSIGN  (resid 21   and name C   ) (resid 22   and name N   )

         (resid 22   and name CA  ) (resid 22   and name C   )  1.00 -64.65 25.35 2



 ASSIGN  (resid 22   and name N   ) (resid 22   and name CA  )

         (resid 22   and name C   ) (resid 23   and name N   )  1.00 -42.22 27.78 2



 ASSIGN  (resid 22   and name C   ) (resid 23   and name N   )

         (resid 23   and name CA  ) (resid 23   and name C   )  1.00 -64.91 25.09 2



 ASSIGN  (resid 23   and name N   ) (resid 23   and name CA  )

         (resid 23   and name C   ) (resid 24   and name N   )  1.00 -44.78 25.22 2



 ASSIGN  (resid 23   and name C   ) (resid 24   and name N   )

         (resid 24   and name CA  ) (resid 24   and name C   )  1.00 -63.93 26.07 2



 ASSIGN  (resid 24   and name N   ) (resid 24   and name CA  )

         (resid 24   and name C   ) (resid 25   and name N   )  1.00 -42.70 27.30 2



 ASSIGN  (resid 24   and name C   ) (resid 25   and name N   )

         (resid 25   and name CA  ) (resid 25   and name C   )  1.00 -61.79 28.21 2



 ASSIGN  (resid 25   and name N   ) (resid 25   and name CA  )

         (resid 25   and name C   ) (resid 26   and name N   )  1.00 -43.77 26.23 2



 ASSIGN  (resid 25   and name C   ) (resid 26   and name N   )

         (resid 26   and name CA  ) (resid 26   and name C   )  1.00 -65.05 24.95 2



 ASSIGN  (resid 26   and name N   ) (resid 26   and name CA  )

         (resid 26   and name C   ) (resid 27   and name N   )  1.00 -25.61 34.39 2



 ASSIGN  (resid 26   and name C   ) (resid 27   and name N   )

         (resid 27   and name CA  ) (resid 27   and name C   )  1.00 -75.02 34.98 2



 ASSIGN  (resid 27   and name N   ) (resid 27   and name CA  )

         (resid 27   and name C   ) (resid 28   and name N   )  1.00 -33.11 36.89 2



 ASSIGN  (resid 27   and name C   ) (resid 28   and name N   )

         (resid 28   and name CA  ) (resid 28   and name C   )  1.00 -57.00 123.00 2



 ASSIGN  (resid 28   and name N   ) (resid 28   and name CA  )

         (resid 28   and name C   ) (resid 29   and name N   )  1.00 -45.00 -15.00 2



 ASSIGN  (resid 28   and name C   ) (resid 29   and name N   )

         (resid 29   and name CA  ) (resid 29   and name C   )  1.00 -55.76 24.24 2



 ASSIGN  (resid 29   and name N   ) (resid 29   and name CA  )

         (resid 29   and name C   ) (resid 30   and name N   )  1.00 -35.83 24.17 2



 ASSIGN  (resid 29   and name C   ) (resid 30   and name N   )

         (resid 30   and name CA  ) (resid 30   and name C   )  1.00 -57.28 32.72 2



 ASSIGN  (resid 30   and name N   ) (resid 30   and name CA  )

         (resid 30   and name C   ) (resid 31   and name N   )  1.00 -41.35 28.65 2



 ASSIGN  (resid 30   and name C   ) (resid 31   and name N   )

         (resid 31   and name CA  ) (resid 31   and name C   )  1.00 -62.15 17.85 2



 ASSIGN  (resid 31   and name N   ) (resid 31   and name CA  )

         (resid 31   and name C   ) (resid 32   and name N   )  1.00 -42.89 27.11 2







  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   ALA   1           HA       ALA   1 -15.903   1.819   1.938
    2    HB1  ALA   1           HB1      ALA   1 -15.832   1.658  -0.489
    3    HB2  ALA   1           HB2      ALA   1 -17.221   2.736  -0.616
    4    HB3  ALA   1           HB3      ALA   1 -17.405   1.143   0.119
    5    H    SER   2           H        SER   2 -14.032   2.622   0.452
    6    HA   SER   2           HA       SER   2 -13.767   5.477   0.244
    7    HB2  SER   2           HB2      SER   2 -13.536   5.083   2.732
    8    HB3  SER   2           HB3      SER   2 -12.110   4.107   2.382
    9    HG   SER   2           HG       SER   2 -11.849   6.461   2.889
   10    HA   PRO   3           HA       PRO   3 -11.053   2.907  -2.585
   11    HB2  PRO   3           HB2      PRO   3 -11.852   5.240  -4.269
   12    HB3  PRO   3           HB3      PRO   3 -11.694   3.526  -4.716
   13    HG2  PRO   3           HG2      PRO   3 -14.095   4.569  -4.385
   14    HG3  PRO   3           HG3      PRO   3 -13.728   2.957  -3.731
   15    HD2  PRO   3           HD2      PRO   3 -13.909   5.585  -2.256
   16    HD3  PRO   3           HD3      PRO   3 -14.492   3.961  -1.772
   17    H    GLN   4           H        GLN   4 -11.247   6.238  -1.594
   18    HA   GLN   4           HA       GLN   4  -8.749   7.114  -2.588
   19    HB2  GLN   4           HB2      GLN   4 -10.255   8.179  -0.191
   20    HB3  GLN   4           HB3      GLN   4  -8.999   9.019  -1.089
   21    HG2  GLN   4           HG2      GLN   4 -10.975   9.983  -1.873
   22    HG3  GLN   4           HG3      GLN   4 -10.576   8.797  -3.113
   23   HE21  GLN   4          HE21      GLN   4 -11.932   8.009   0.035
   24   HE22  GLN   4          HE22      GLN   4 -13.472   7.477  -0.561
   25    H    GLN   5           H        GLN   5  -9.767   5.779   0.520
   26    HA   GLN   5           HA       GLN   5  -7.246   6.035   1.771
   27    HB2  GLN   5           HB2      GLN   5  -9.605   4.264   2.353
   28    HB3  GLN   5           HB3      GLN   5  -8.126   4.176   3.294
   29    HG2  GLN   5           HG2      GLN   5  -9.529   6.798   2.939
   30    HG3  GLN   5           HG3      GLN   5 -10.085   5.640   4.146
   31   HE21  GLN   5          HE21      GLN   5  -6.700   5.916   3.328
   32   HE22  GLN   5          HE22      GLN   5  -6.206   6.658   4.809
   33    H    ALA   6           H        ALA   6  -8.726   3.519  -0.148
   34    HA   ALA   6           HA       ALA   6  -6.721   1.569   0.129
   35    HB1  ALA   6           HB1      ALA   6  -7.594   0.604  -1.934
   36    HB2  ALA   6           HB2      ALA   6  -8.505   2.074  -2.253
   37    HB3  ALA   6           HB3      ALA   6  -8.909   1.073  -0.858
   38    H    LYS   7           H        LYS   7  -7.150   4.164  -2.257
   39    HA   LYS   7           HA       LYS   7  -4.843   3.559  -3.763
   40    HB2  LYS   7           HB2      LYS   7  -6.714   5.017  -4.546
   41    HB3  LYS   7           HB3      LYS   7  -6.174   6.256  -3.424
   42    HG2  LYS   7           HG2      LYS   7  -5.404   6.746  -5.664
   43    HG3  LYS   7           HG3      LYS   7  -4.024   6.394  -4.593
   44    HD2  LYS   7           HD2      LYS   7  -3.972   4.077  -5.466
   45    HD3  LYS   7           HD3      LYS   7  -5.303   4.465  -6.561
   46    HE2  LYS   7           HE2      LYS   7  -3.161   4.570  -7.740
   47    HE3  LYS   7           HE3      LYS   7  -3.893   6.171  -7.637
   48    HZ1  LYS   7           HZ1      LYS   7  -1.801   5.185  -5.785
   49    HZ2  LYS   7           HZ2      LYS   7  -2.410   6.761  -5.886
   50    HZ3  LYS   7           HZ3      LYS   7  -1.486   6.127  -7.152
   51    H    TYR   8           H        TYR   8  -5.386   5.534  -0.922
   52    HA   TYR   8           HA       TYR   8  -2.849   6.752  -0.780
   53    HB2  TYR   8           HB2      TYR   8  -4.817   7.487   0.539
   54    HB3  TYR   8           HB3      TYR   8  -4.723   5.994   1.473
   55    HD1  TYR   8           HD1      TYR   8  -3.307   5.813   3.340
   56    HD2  TYR   8           HD2      TYR   8  -2.912   9.124   0.699
   57    HE1  TYR   8           HE1      TYR   8  -1.797   6.900   4.943
   58    HE2  TYR   8           HE2      TYR   8  -1.399  10.223   2.294
   59    HH   TYR   8           HH       TYR   8  -0.862  10.184   4.650
   60    H    CYS   9           H        CYS   9  -4.108   3.716   0.529
   61    HA   CYS   9           HA       CYS   9  -1.789   3.005   1.980
   62    HB2  CYS   9           HB2      CYS   9  -4.037   1.980   2.325
   63    HB3  CYS   9           HB3      CYS   9  -3.868   1.140   0.777
   64    H    TYR  10           H        TYR  10  -2.908   2.074  -1.267
   65    HA   TYR  10           HA       TYR  10  -0.653   0.459  -1.856
   66    HB2  TYR  10           HB2      TYR  10  -2.772   1.738  -3.593
   67    HB3  TYR  10           HB3      TYR  10  -1.439   0.806  -4.279
   68    HD1  TYR  10           HD1      TYR  10  -1.195  -1.595  -3.657
   69    HD2  TYR  10           HD2      TYR  10  -4.658   0.655  -2.657
   70    HE1  TYR  10           HE1      TYR  10  -2.445  -3.672  -3.332
   71    HE2  TYR  10           HE2      TYR  10  -5.919  -1.422  -2.326
   72    HH   TYR  10           HH       TYR  10  -5.837  -3.771  -3.045
   73    H    GLU  11           H        GLU  11  -1.191   3.879  -2.035
   74    HA   GLU  11           HA       GLU  11   1.087   4.320  -3.726
   75    HB2  GLU  11           HB2      GLU  11  -0.787   5.895  -3.818
   76    HB3  GLU  11           HB3      GLU  11  -0.555   6.293  -2.104
   77    HG2  GLU  11           HG2      GLU  11   1.599   7.270  -2.583
   78    HG3  GLU  11           HG3      GLU  11   1.468   6.785  -4.289
   79    H    GLN  12           H        GLN  12   0.373   4.882  -0.255
   80    HA   GLN  12           HA       GLN  12   2.961   5.963   0.206
   81    HB2  GLN  12           HB2      GLN  12   0.839   5.022   2.144
   82    HB3  GLN  12           HB3      GLN  12   2.328   5.817   2.616
   83    HG2  GLN  12           HG2      GLN  12   0.552   7.113   0.621
   84    HG3  GLN  12           HG3      GLN  12   0.143   7.172   2.328
   85   HE21  GLN  12          HE21      GLN  12   3.452   7.102   1.319
   86   HE22  GLN  12          HE22      GLN  12   3.820   8.751   1.700
   87    H    CYS  13           H        CYS  13   1.732   2.739   0.148
   88    HA   CYS  13           HA       CYS  13   3.481   1.527   1.973
   89    HB2  CYS  13           HB2      CYS  13   2.948  -0.570   0.842
   90    HB3  CYS  13           HB3      CYS  13   1.482   0.410   0.962
   91    H    ASN  14           H        ASN  14   3.833   1.912  -1.566
   92    HA   ASN  14           HA       ASN  14   6.555   0.971  -1.451
   93    HB2  ASN  14           HB2      ASN  14   6.650   1.428  -3.844
   94    HB3  ASN  14           HB3      ASN  14   5.188   0.536  -3.454
   95   HD21  ASN  14          HD21      ASN  14   3.142   1.676  -3.574
   96   HD22  ASN  14          HD22      ASN  14   3.021   3.149  -4.473
   97    H    VAL  15           H        VAL  15   4.971   4.092  -1.426
   98    HA   VAL  15           HA       VAL  15   7.197   5.692  -2.026
   99    HB   VAL  15           HB       VAL  15   4.830   6.313  -0.251
  100   HG11  VAL  15          HG11      VAL  15   6.979   8.166  -1.291
  101   HG12  VAL  15          HG12      VAL  15   6.689   7.737   0.395
  102   HG13  VAL  15          HG13      VAL  15   5.494   8.683  -0.494
  103   HG21  VAL  15          HG21      VAL  15   4.243   5.956  -2.594
  104   HG22  VAL  15          HG22      VAL  15   5.472   7.117  -3.092
  105   HG23  VAL  15          HG23      VAL  15   4.072   7.657  -2.165
  106    H    ASN  16           H        ASN  16   6.050   4.343   1.069
  107    HA   ASN  16           HA       ASN  16   8.196   5.508   2.568
  108    HB2  ASN  16           HB2      ASN  16   6.459   3.090   3.211
  109    HB3  ASN  16           HB3      ASN  16   7.555   3.892   4.342
  110   HD21  ASN  16          HD21      ASN  16   6.892   6.558   3.337
  111   HD22  ASN  16          HD22      ASN  16   5.317   6.911   3.961
  112    H    LYS  17           H        LYS  17   7.675   1.999   2.313
  113    HA   LYS  17           HA       LYS  17   9.481   1.400   0.356
  114    HB2  LYS  17           HB2      LYS  17  11.197   2.344   1.928
  115    HB3  LYS  17           HB3      LYS  17  10.829   1.009   3.031
  116    HG2  LYS  17           HG2      LYS  17  11.620  -0.613   1.471
  117    HG3  LYS  17           HG3      LYS  17  11.736   0.592   0.185
  118    HD2  LYS  17           HD2      LYS  17  13.508   1.756   1.359
  119    HD3  LYS  17           HD3      LYS  17  13.386   0.639   2.736
  120    HE2  LYS  17           HE2      LYS  17  14.064  -1.211   1.293
  121    HE3  LYS  17           HE3      LYS  17  14.112  -0.134  -0.102
  122    HZ1  LYS  17           HZ1      LYS  17  15.892   1.100   0.946
  123    HZ2  LYS  17           HZ2      LYS  17  16.315  -0.529   0.817
  124    HZ3  LYS  17           HZ3      LYS  17  15.831   0.099   2.308
  125    H    VAL  18           H        VAL  18   7.639  -0.104   0.077
  126    HA   VAL  18           HA       VAL  18   8.289  -2.590   1.483
  127    HB   VAL  18           HB       VAL  18   6.154  -3.182   2.145
  128   HG11  VAL  18          HG11      VAL  18   6.875  -1.259   3.480
  129   HG12  VAL  18          HG12      VAL  18   5.118  -1.372   3.367
  130   HG13  VAL  18          HG13      VAL  18   5.990  -0.179   2.400
  131   HG21  VAL  18          HG21      VAL  18   4.999  -1.170   0.223
  132   HG22  VAL  18          HG22      VAL  18   4.072  -2.255   1.265
  133   HG23  VAL  18          HG23      VAL  18   5.100  -2.917  -0.009
  134    HA   PRO  19           HA       PRO  19   8.076  -4.341  -2.641
  135    HB2  PRO  19           HB2      PRO  19   7.087  -6.760  -1.244
  136    HB3  PRO  19           HB3      PRO  19   8.489  -6.575  -2.311
  137    HG2  PRO  19           HG2      PRO  19   8.802  -6.882   0.323
  138    HG3  PRO  19           HG3      PRO  19   9.856  -5.811  -0.622
  139    HD2  PRO  19           HD2      PRO  19   7.578  -5.096   1.190
  140    HD3  PRO  19           HD3      PRO  19   9.136  -4.276   0.933
  141    H    PHE  20           H        PHE  20   6.460  -4.984  -4.171
  142    HA   PHE  20           HA       PHE  20   3.930  -3.888  -3.770
  143    HB2  PHE  20           HB2      PHE  20   4.995  -4.376  -6.001
  144    HB3  PHE  20           HB3      PHE  20   4.556  -6.064  -5.775
  145    HD1  PHE  20           HD1      PHE  20   3.324  -2.705  -6.468
  146    HD2  PHE  20           HD2      PHE  20   2.238  -6.779  -5.891
  147    HE1  PHE  20           HE1      PHE  20   1.105  -2.246  -7.429
  148    HE2  PHE  20           HE2      PHE  20   0.019  -6.329  -6.855
  149    HZ   PHE  20           HZ       PHE  20  -0.549  -4.059  -7.624
  150    H    ASP  21           H        ASP  21   4.942  -7.286  -3.535
  151    HA   ASP  21           HA       ASP  21   2.382  -8.362  -3.101
  152    HB2  ASP  21           HB2      ASP  21   3.569 -10.324  -2.158
  153    HB3  ASP  21           HB3      ASP  21   4.228  -9.813  -3.709
  154    H    GLN  22           H        GLN  22   4.786  -7.081  -0.833
  155    HA   GLN  22           HA       GLN  22   3.306  -7.677   1.507
  156    HB2  GLN  22           HB2      GLN  22   5.714  -7.110   1.567
  157    HB3  GLN  22           HB3      GLN  22   5.334  -5.466   1.063
  158    HG2  GLN  22           HG2      GLN  22   3.962  -5.222   3.125
  159    HG3  GLN  22           HG3      GLN  22   4.540  -6.812   3.634
  160   HE21  GLN  22          HE21      GLN  22   4.882  -4.221   4.906
  161   HE22  GLN  22          HE22      GLN  22   6.591  -3.978   5.055
  162    H    CYS  23           H        CYS  23   3.367  -4.951  -0.721
  163    HA   CYS  23           HA       CYS  23   1.705  -3.210   0.751
  164    HB2  CYS  23           HB2      CYS  23   2.999  -2.520  -1.301
  165    HB3  CYS  23           HB3      CYS  23   1.835  -3.419  -2.276
  166    H    TYR  24           H        TYR  24   0.936  -5.634  -1.722
  167    HA   TYR  24           HA       TYR  24  -1.854  -5.330  -1.631
  168    HB2  TYR  24           HB2      TYR  24  -0.500  -6.640  -3.356
  169    HB3  TYR  24           HB3      TYR  24  -0.413  -7.942  -2.158
  170    HD1  TYR  24           HD1      TYR  24  -2.474  -9.123  -1.473
  171    HD2  TYR  24           HD2      TYR  24  -2.496  -6.233  -4.586
  172    HE1  TYR  24           HE1      TYR  24  -4.645  -9.974  -2.236
  173    HE2  TYR  24           HE2      TYR  24  -4.669  -7.069  -5.356
  174    HH   TYR  24           HH       TYR  24  -6.570  -9.229  -3.507
  175    H    GLN  25           H        GLN  25   0.375  -7.099   0.415
  176    HA   GLN  25           HA       GLN  25  -1.523  -8.779   1.656
  177    HB2  GLN  25           HB2      GLN  25   0.919  -9.202   1.687
  178    HB3  GLN  25           HB3      GLN  25   1.147  -7.763   2.674
  179    HG2  GLN  25           HG2      GLN  25  -0.178  -8.805   4.468
  180    HG3  GLN  25           HG3      GLN  25  -0.333 -10.260   3.486
  181   HE21  GLN  25          HE21      GLN  25   0.892  -9.894   6.101
  182   HE22  GLN  25          HE22      GLN  25   2.533 -10.418   5.939
  183    H    MET  26           H        MET  26  -0.312  -5.557   2.388
  184    HA   MET  26           HA       MET  26  -1.742  -5.447   4.899
  185    HB2  MET  26           HB2      MET  26   0.381  -4.373   4.889
  186    HB3  MET  26           HB3      MET  26   0.015  -3.519   3.400
  187    HG2  MET  26           HG2      MET  26  -1.685  -2.193   4.608
  188    HG3  MET  26           HG3      MET  26  -1.223  -3.007   6.102
  189    HE1  MET  26           HE1      MET  26   1.647  -0.258   3.733
  190    HE2  MET  26           HE2      MET  26   0.027  -0.686   3.181
  191    HE3  MET  26           HE3      MET  26   1.298  -1.909   3.226
  192    H    CYS  27           H        CYS  27  -2.016  -3.974   1.679
  193    HA   CYS  27           HA       CYS  27  -4.149  -2.247   2.568
  194    HB2  CYS  27           HB2      CYS  27  -3.120  -2.705  -0.251
  195    HB3  CYS  27           HB3      CYS  27  -4.160  -1.376   0.298
  196    H    SER  28           H        SER  28  -4.032  -5.424   1.188
  197    HA   SER  28           HA       SER  28  -6.407  -5.380  -0.263
  198    HB2  SER  28           HB2      SER  28  -6.463  -7.879   0.093
  199    HB3  SER  28           HB3      SER  28  -4.982  -7.227  -0.621
  200    HG   SER  28           HG       SER  28  -3.892  -7.735   1.127
  201    HA   PRO  29           HA       PRO  29  -8.741  -6.871   3.838
  202    HB2  PRO  29           HB2      PRO  29  -7.155  -5.124   5.666
  203    HB3  PRO  29           HB3      PRO  29  -7.963  -6.669   6.008
  204    HG2  PRO  29           HG2      PRO  29  -5.335  -6.624   5.708
  205    HG3  PRO  29           HG3      PRO  29  -6.292  -7.927   4.957
  206    HD2  PRO  29           HD2      PRO  29  -5.074  -5.489   3.681
  207    HD3  PRO  29           HD3      PRO  29  -5.183  -7.156   3.062
  208    H    LEU  30           H        LEU  30  -7.241  -3.710   3.528
  209    HA   LEU  30           HA       LEU  30  -9.482  -2.162   4.339
  210    HB2  LEU  30           HB2      LEU  30  -6.995  -1.482   4.204
  211    HB3  LEU  30           HB3      LEU  30  -7.270  -1.292   2.465
  212    HG   LEU  30           HG       LEU  30  -8.592   0.309   4.685
  213   HD11  LEU  30          HD11      LEU  30  -6.262   0.888   4.358
  214   HD12  LEU  30          HD12      LEU  30  -7.293   2.167   3.712
  215   HD13  LEU  30          HD13      LEU  30  -6.514   1.023   2.617
  216   HD21  LEU  30          HD21      LEU  30  -8.845   0.635   1.688
  217   HD22  LEU  30          HD22      LEU  30  -9.558   1.678   2.921
  218   HD23  LEU  30          HD23      LEU  30 -10.099   0.005   2.757
  219    H    GLU  31           H        GLU  31  -8.057  -2.863   1.180
  220    HA   GLU  31           HA       GLU  31 -10.016  -1.450  -0.286
  221    HB2  GLU  31           HB2      GLU  31  -7.741  -1.854  -1.139
  222    HB3  GLU  31           HB3      GLU  31  -8.087  -3.586  -1.225
  223    HG2  GLU  31           HG2      GLU  31  -9.806  -3.165  -2.907
  224    HG3  GLU  31           HG3      GLU  31  -9.475  -1.430  -2.825
  225    H    ARG  32           H        ARG  32  -9.466  -4.979  -0.162
  226    HA   ARG  32           HA       ARG  32 -12.328  -5.412  -0.194
  227    HB2  ARG  32           HB2      ARG  32 -10.574  -6.092  -2.544
  228    HB3  ARG  32           HB3      ARG  32 -11.984  -7.089  -2.181
  229    HG2  ARG  32           HG2      ARG  32 -12.063  -4.095  -2.693
  230    HG3  ARG  32           HG3      ARG  32 -12.395  -5.324  -3.913
  231    HD2  ARG  32           HD2      ARG  32 -14.460  -4.401  -3.003
  232    HD3  ARG  32           HD3      ARG  32 -14.324  -6.108  -2.598
  233    HE   ARG  32           HE       ARG  32 -13.507  -4.066  -0.640
  234   HH11  ARG  32          HH11      ARG  32 -15.695  -6.649  -1.581
  235   HH12  ARG  32          HH12      ARG  32 -16.380  -6.813   0.003
  236   HH21  ARG  32          HH21      ARG  32 -14.398  -4.301   1.441
  237   HH22  ARG  32          HH22      ARG  32 -15.644  -5.478   1.723
  238    H    SER  33           H        SER  33 -12.373  -6.631   1.576
  239    HA   SER  33           HA       SER  33 -11.451  -9.358   1.232
  240    HB2  SER  33           HB2      SER  33 -10.644  -7.736   3.674
  241    HB3  SER  33           HB3      SER  33 -10.476  -9.485   3.527
  242    HG   SER  33           HG       SER  33  -9.395  -8.026   1.443
  Start of MODEL    2
    1    HA   ALA   1           HA       ALA   1 -16.523   1.757  -1.546
    2    HB1  ALA   1           HB1      ALA   1 -18.520   3.716  -2.667
    3    HB2  ALA   1           HB2      ALA   1 -18.555   1.967  -2.884
    4    HB3  ALA   1           HB3      ALA   1 -17.240   2.915  -3.576
    5    H    SER   2           H        SER   2 -14.582   2.670  -1.449
    6    HA   SER   2           HA       SER   2 -14.235   5.532  -1.602
    7    HB2  SER   2           HB2      SER   2 -14.753   5.053   0.874
    8    HB3  SER   2           HB3      SER   2 -13.217   4.187   0.917
    9    HG   SER   2           HG       SER   2 -13.290   6.546   1.500
   10    HA   PRO   3           HA       PRO   3 -10.979   2.620  -3.381
   11    HB2  PRO   3           HB2      PRO   3 -11.137   4.671  -5.531
   12    HB3  PRO   3           HB3      PRO   3 -11.062   2.899  -5.653
   13    HG2  PRO   3           HG2      PRO   3 -13.341   4.196  -6.105
   14    HG3  PRO   3           HG3      PRO   3 -13.320   2.639  -5.250
   15    HD2  PRO   3           HD2      PRO   3 -13.664   5.406  -4.111
   16    HD3  PRO   3           HD3      PRO   3 -14.446   3.869  -3.632
   17    H    GLN   4           H        GLN   4 -11.159   6.094  -2.923
   18    HA   GLN   4           HA       GLN   4  -8.477   6.709  -3.489
   19    HB2  GLN   4           HB2      GLN   4 -10.210   8.421  -3.372
   20    HB3  GLN   4           HB3      GLN   4 -10.408   8.119  -1.648
   21    HG2  GLN   4           HG2      GLN   4  -9.075  10.117  -1.989
   22    HG3  GLN   4           HG3      GLN   4  -8.085   8.842  -1.277
   23   HE21  GLN   4          HE21      GLN   4  -9.015   8.934  -4.660
   24   HE22  GLN   4          HE22      GLN   4  -7.423   9.227  -5.277
   25    H    GLN   5           H        GLN   5 -10.058   5.624  -0.544
   26    HA   GLN   5           HA       GLN   5  -7.872   6.105   1.193
   27    HB2  GLN   5           HB2      GLN   5 -10.168   4.152   1.408
   28    HB3  GLN   5           HB3      GLN   5  -8.972   4.373   2.672
   29    HG2  GLN   5           HG2      GLN   5  -9.638   6.745   2.857
   30    HG3  GLN   5           HG3      GLN   5 -10.885   6.470   1.642
   31   HE21  GLN   5          HE21      GLN   5 -11.441   3.759   2.691
   32   HE22  GLN   5          HE22      GLN   5 -12.348   4.009   4.145
   33    H    ALA   6           H        ALA   6  -8.880   3.297  -0.665
   34    HA   ALA   6           HA       ALA   6  -6.773   1.588   0.130
   35    HB1  ALA   6           HB1      ALA   6  -8.386   1.592  -2.419
   36    HB2  ALA   6           HB2      ALA   6  -8.773   0.714  -0.939
   37    HB3  ALA   6           HB3      ALA   6  -7.338   0.284  -1.876
   38    H    LYS   7           H        LYS   7  -7.135   3.921  -2.480
   39    HA   LYS   7           HA       LYS   7  -4.724   3.339  -3.819
   40    HB2  LYS   7           HB2      LYS   7  -6.606   4.670  -4.775
   41    HB3  LYS   7           HB3      LYS   7  -6.184   5.988  -3.690
   42    HG2  LYS   7           HG2      LYS   7  -5.324   6.401  -5.912
   43    HG3  LYS   7           HG3      LYS   7  -3.987   6.169  -4.754
   44    HD2  LYS   7           HD2      LYS   7  -3.666   3.887  -5.524
   45    HD3  LYS   7           HD3      LYS   7  -5.081   3.998  -6.575
   46    HE2  LYS   7           HE2      LYS   7  -2.538   5.610  -6.842
   47    HE3  LYS   7           HE3      LYS   7  -3.008   4.252  -7.861
   48    HZ1  LYS   7           HZ1      LYS   7  -3.513   6.297  -8.965
   49    HZ2  LYS   7           HZ2      LYS   7  -4.398   6.864  -7.645
   50    HZ3  LYS   7           HZ3      LYS   7  -4.970   5.550  -8.541
   51    H    TYR   8           H        TYR   8  -5.511   5.445  -1.112
   52    HA   TYR   8           HA       TYR   8  -3.031   6.737  -0.853
   53    HB2  TYR   8           HB2      TYR   8  -5.035   7.484   0.357
   54    HB3  TYR   8           HB3      TYR   8  -5.025   5.990   1.297
   55    HD1  TYR   8           HD1      TYR   8  -3.255   9.171   0.717
   56    HD2  TYR   8           HD2      TYR   8  -3.581   5.707   3.162
   57    HE1  TYR   8           HE1      TYR   8  -1.803  10.227   2.399
   58    HE2  TYR   8           HE2      TYR   8  -2.131   6.745   4.844
   59    HH   TYR   8           HH       TYR   8  -1.370  10.018   4.861
   60    H    CYS   9           H        CYS   9  -4.234   3.669   0.391
   61    HA   CYS   9           HA       CYS   9  -2.022   3.041   2.027
   62    HB2  CYS   9           HB2      CYS   9  -4.208   1.882   2.177
   63    HB3  CYS   9           HB3      CYS   9  -3.913   1.126   0.606
   64    H    TYR  10           H        TYR  10  -2.771   2.174  -1.330
   65    HA   TYR  10           HA       TYR  10  -0.355   0.740  -1.768
   66    HB2  TYR  10           HB2      TYR  10  -2.432   1.908  -3.629
   67    HB3  TYR  10           HB3      TYR  10  -0.967   1.134  -4.240
   68    HD1  TYR  10           HD1      TYR  10  -0.563  -1.259  -3.784
   69    HD2  TYR  10           HD2      TYR  10  -4.261   0.600  -2.796
   70    HE1  TYR  10           HE1      TYR  10  -1.628  -3.460  -3.644
   71    HE2  TYR  10           HE2      TYR  10  -5.331  -1.598  -2.655
   72    HH   TYR  10           HH       TYR  10  -3.561  -4.514  -2.614
   73    H    GLU  11           H        GLU  11  -1.178   4.103  -1.901
   74    HA   GLU  11           HA       GLU  11   1.018   4.968  -3.463
   75    HB2  GLU  11           HB2      GLU  11  -1.035   6.339  -2.949
   76    HB3  GLU  11           HB3      GLU  11  -0.409   6.516  -1.294
   77    HG2  GLU  11           HG2      GLU  11   0.089   8.489  -2.583
   78    HG3  GLU  11           HG3      GLU  11   1.590   7.622  -2.180
   79    H    GLN  12           H        GLN  12   0.477   5.146   0.058
   80    HA   GLN  12           HA       GLN  12   3.098   6.149   0.493
   81    HB2  GLN  12           HB2      GLN  12   1.017   5.170   2.455
   82    HB3  GLN  12           HB3      GLN  12   2.495   6.006   2.902
   83    HG2  GLN  12           HG2      GLN  12   0.611   7.238   0.954
   84    HG3  GLN  12           HG3      GLN  12   0.283   7.319   2.678
   85   HE21  GLN  12          HE21      GLN  12   3.566   7.319   1.554
   86   HE22  GLN  12          HE22      GLN  12   3.882   8.989   1.878
   87    H    CYS  13           H        CYS  13   1.794   2.939   0.423
   88    HA   CYS  13           HA       CYS  13   3.644   1.671   2.130
   89    HB2  CYS  13           HB2      CYS  13   2.999  -0.409   1.021
   90    HB3  CYS  13           HB3      CYS  13   1.558   0.589   1.248
   91    H    ASN  14           H        ASN  14   3.705   2.079  -1.407
   92    HA   ASN  14           HA       ASN  14   6.364   1.048  -1.652
   93    HB2  ASN  14           HB2      ASN  14   4.668   1.018  -3.509
   94    HB3  ASN  14           HB3      ASN  14   4.867   2.761  -3.661
   95   HD21  ASN  14          HD21      ASN  14   7.501   0.526  -2.964
   96   HD22  ASN  14          HD22      ASN  14   8.315   0.758  -4.474
   97    H    VAL  15           H        VAL  15   5.034   4.212  -1.047
   98    HA   VAL  15           HA       VAL  15   7.310   5.722  -1.788
   99    HB   VAL  15           HB       VAL  15   5.060   6.358   0.128
  100   HG11  VAL  15          HG11      VAL  15   7.022   7.634   0.800
  101   HG12  VAL  15          HG12      VAL  15   5.838   8.696   0.038
  102   HG13  VAL  15          HG13      VAL  15   7.262   8.175  -0.861
  103   HG21  VAL  15          HG21      VAL  15   4.302   7.841  -1.671
  104   HG22  VAL  15          HG22      VAL  15   4.416   6.173  -2.231
  105   HG23  VAL  15          HG23      VAL  15   5.667   7.337  -2.667
  106    H    ASN  16           H        ASN  16   6.323   4.148   1.231
  107    HA   ASN  16           HA       ASN  16   8.520   5.225   2.730
  108    HB2  ASN  16           HB2      ASN  16   6.779   2.796   3.280
  109    HB3  ASN  16           HB3      ASN  16   7.927   3.507   4.421
  110   HD21  ASN  16          HD21      ASN  16   5.116   3.169   4.871
  111   HD22  ASN  16          HD22      ASN  16   4.444   4.753   5.060
  112    H    LYS  17           H        LYS  17   7.902   1.778   2.244
  113    HA   LYS  17           HA       LYS  17   9.869   1.170   0.438
  114    HB2  LYS  17           HB2      LYS  17  11.592   0.083   1.926
  115    HB3  LYS  17           HB3      LYS  17  11.604   1.852   1.913
  116    HG2  LYS  17           HG2      LYS  17  10.377   1.856   4.044
  117    HG3  LYS  17           HG3      LYS  17  10.402   0.087   4.054
  118    HD2  LYS  17           HD2      LYS  17  12.930   0.217   3.946
  119    HD3  LYS  17           HD3      LYS  17  12.765   1.971   4.180
  120    HE2  LYS  17           HE2      LYS  17  13.212   0.926   6.311
  121    HE3  LYS  17           HE3      LYS  17  11.563   1.548   6.297
  122    HZ1  LYS  17           HZ1      LYS  17  12.366  -1.283   5.892
  123    HZ2  LYS  17           HZ2      LYS  17  10.781  -0.704   5.805
  124    HZ3  LYS  17           HZ3      LYS  17  11.621  -0.641   7.268
  125    H    VAL  18           H        VAL  18   7.994  -0.201  -0.096
  126    HA   VAL  18           HA       VAL  18   8.286  -2.771   1.244
  127    HB   VAL  18           HB       VAL  18   6.088  -3.183   1.819
  128   HG11  VAL  18          HG11      VAL  18   6.222  -0.197   2.229
  129   HG12  VAL  18          HG12      VAL  18   6.924  -1.424   3.284
  130   HG13  VAL  18          HG13      VAL  18   5.174  -1.330   3.086
  131   HG21  VAL  18          HG21      VAL  18   5.166  -0.974  -0.010
  132   HG22  VAL  18          HG22      VAL  18   4.128  -2.046   0.937
  133   HG23  VAL  18          HG23      VAL  18   5.139  -2.706  -0.353
  134    HA   PRO  19           HA       PRO  19   7.902  -4.252  -2.979
  135    HB2  PRO  19           HB2      PRO  19   6.965  -6.738  -1.690
  136    HB3  PRO  19           HB3      PRO  19   8.347  -6.487  -2.766
  137    HG2  PRO  19           HG2      PRO  19   8.687  -6.963  -0.150
  138    HG3  PRO  19           HG3      PRO  19   9.755  -5.874  -1.056
  139    HD2  PRO  19           HD2      PRO  19   7.516  -5.191   0.821
  140    HD3  PRO  19           HD3      PRO  19   9.099  -4.408   0.595
  141    H    PHE  20           H        PHE  20   6.150  -4.846  -4.419
  142    HA   PHE  20           HA       PHE  20   3.694  -3.695  -3.755
  143    HB2  PHE  20           HB2      PHE  20   4.450  -4.035  -6.095
  144    HB3  PHE  20           HB3      PHE  20   4.159  -5.761  -5.919
  145    HD1  PHE  20           HD1      PHE  20   1.931  -6.662  -5.942
  146    HD2  PHE  20           HD2      PHE  20   2.586  -2.464  -6.159
  147    HE1  PHE  20           HE1      PHE  20  -0.415  -6.332  -6.606
  148    HE2  PHE  20           HE2      PHE  20   0.243  -2.127  -6.824
  149    HZ   PHE  20           HZ       PHE  20  -1.262  -4.064  -7.046
  150    H    ASP  21           H        ASP  21   4.664  -7.108  -3.689
  151    HA   ASP  21           HA       ASP  21   2.132  -8.174  -3.123
  152    HB2  ASP  21           HB2      ASP  21   3.241 -10.176  -2.400
  153    HB3  ASP  21           HB3      ASP  21   4.124  -9.540  -3.781
  154    H    GLN  22           H        GLN  22   4.659  -6.954  -0.971
  155    HA   GLN  22           HA       GLN  22   3.370  -7.501   1.471
  156    HB2  GLN  22           HB2      GLN  22   5.719  -6.876   1.382
  157    HB3  GLN  22           HB3      GLN  22   5.302  -5.291   0.737
  158    HG2  GLN  22           HG2      GLN  22   5.762  -4.963   3.010
  159    HG3  GLN  22           HG3      GLN  22   4.000  -4.903   2.858
  160   HE21  GLN  22          HE21      GLN  22   3.674  -5.431   5.007
  161   HE22  GLN  22          HE22      GLN  22   3.962  -7.024   5.625
  162    H    CYS  23           H        CYS  23   3.240  -4.742  -0.738
  163    HA   CYS  23           HA       CYS  23   1.590  -3.106   0.868
  164    HB2  CYS  23           HB2      CYS  23   2.830  -2.340  -1.219
  165    HB3  CYS  23           HB3      CYS  23   1.571  -3.142  -2.162
  166    H    TYR  24           H        TYR  24   0.835  -5.484  -1.643
  167    HA   TYR  24           HA       TYR  24  -1.945  -5.289  -1.563
  168    HB2  TYR  24           HB2      TYR  24  -0.608  -6.643  -3.226
  169    HB3  TYR  24           HB3      TYR  24  -0.371  -7.853  -1.955
  170    HD1  TYR  24           HD1      TYR  24  -2.230  -9.232  -1.189
  171    HD2  TYR  24           HD2      TYR  24  -2.751  -6.371  -4.286
  172    HE1  TYR  24           HE1      TYR  24  -4.364 -10.281  -1.787
  173    HE2  TYR  24           HE2      TYR  24  -4.886  -7.414  -4.894
  174    HH   TYR  24           HH       TYR  24  -6.429  -9.743  -2.905
  175    H    GLN  25           H        GLN  25   0.306  -6.942   0.569
  176    HA   GLN  25           HA       GLN  25  -1.649  -8.602   1.825
  177    HB2  GLN  25           HB2      GLN  25   1.134  -7.758   2.686
  178    HB3  GLN  25           HB3      GLN  25   0.147  -8.881   3.608
  179    HG2  GLN  25           HG2      GLN  25   0.182 -10.484   1.788
  180    HG3  GLN  25           HG3      GLN  25   1.029  -9.346   0.745
  181   HE21  GLN  25          HE21      GLN  25   1.777 -12.015   1.633
  182   HE22  GLN  25          HE22      GLN  25   3.316 -11.838   2.408
  183    H    MET  26           H        MET  26  -0.337  -5.416   2.498
  184    HA   MET  26           HA       MET  26  -1.716  -5.261   5.031
  185    HB2  MET  26           HB2      MET  26   0.424  -4.214   4.935
  186    HB3  MET  26           HB3      MET  26  -0.003  -3.342   3.472
  187    HG2  MET  26           HG2      MET  26  -1.581  -1.970   4.725
  188    HG3  MET  26           HG3      MET  26  -1.199  -2.862   6.198
  189    HE1  MET  26           HE1      MET  26   1.537  -1.926   3.486
  190    HE2  MET  26           HE2      MET  26   1.933  -0.282   3.980
  191    HE3  MET  26           HE3      MET  26   0.334  -0.645   3.332
  192    H    CYS  27           H        CYS  27  -2.119  -3.969   1.765
  193    HA   CYS  27           HA       CYS  27  -4.304  -2.270   2.604
  194    HB2  CYS  27           HB2      CYS  27  -3.389  -2.868  -0.228
  195    HB3  CYS  27           HB3      CYS  27  -4.417  -1.526   0.310
  196    H    SER  28           H        SER  28  -4.040  -5.528   1.405
  197    HA   SER  28           HA       SER  28  -6.543  -5.696   0.159
  198    HB2  SER  28           HB2      SER  28  -6.380  -8.191   0.608
  199    HB3  SER  28           HB3      SER  28  -5.059  -7.463  -0.314
  200    HG   SER  28           HG       SER  28  -3.729  -7.691   1.372
  201    HA   PRO  29           HA       PRO  29  -8.403  -7.056   4.512
  202    HB2  PRO  29           HB2      PRO  29  -6.677  -5.260   6.151
  203    HB3  PRO  29           HB3      PRO  29  -7.400  -6.825   6.576
  204    HG2  PRO  29           HG2      PRO  29  -4.812  -6.696   6.022
  205    HG3  PRO  29           HG3      PRO  29  -5.795  -8.043   5.390
  206    HD2  PRO  29           HD2      PRO  29  -4.810  -5.580   3.964
  207    HD3  PRO  29           HD3      PRO  29  -4.894  -7.264   3.388
  208    H    LEU  30           H        LEU  30  -7.138  -3.998   3.499
  209    HA   LEU  30           HA       LEU  30  -9.228  -2.424   4.741
  210    HB2  LEU  30           HB2      LEU  30  -6.761  -1.730   4.314
  211    HB3  LEU  30           HB3      LEU  30  -7.273  -1.490   2.635
  212    HG   LEU  30           HG       LEU  30  -8.266   0.021   5.075
  213   HD11  LEU  30          HD11      LEU  30  -6.615   0.851   2.689
  214   HD12  LEU  30          HD12      LEU  30  -6.043   0.676   4.351
  215   HD13  LEU  30          HD13      LEU  30  -7.210   1.937   3.945
  216   HD21  LEU  30          HD21      LEU  30  -9.062   0.374   2.179
  217   HD22  LEU  30          HD22      LEU  30  -9.555   1.397   3.529
  218   HD23  LEU  30          HD23      LEU  30 -10.091  -0.284   3.454
  219    H    GLU  31           H        GLU  31  -8.093  -2.904   1.414
  220    HA   GLU  31           HA       GLU  31 -10.386  -1.725   0.235
  221    HB2  GLU  31           HB2      GLU  31  -8.126  -1.857  -0.838
  222    HB3  GLU  31           HB3      GLU  31  -8.381  -3.592  -1.061
  223    HG2  GLU  31           HG2      GLU  31 -10.289  -3.144  -2.505
  224    HG3  GLU  31           HG3      GLU  31 -10.085  -1.403  -2.268
  225    H    ARG  32           H        ARG  32  -9.404  -5.077   0.717
  226    HA   ARG  32           HA       ARG  32 -10.556  -7.040   0.745
  227    HB2  ARG  32           HB2      ARG  32 -12.810  -5.111   1.311
  228    HB3  ARG  32           HB3      ARG  32 -13.063  -6.857   1.267
  229    HG2  ARG  32           HG2      ARG  32 -10.991  -5.595   3.075
  230    HG3  ARG  32           HG3      ARG  32 -12.677  -5.730   3.562
  231    HD2  ARG  32           HD2      ARG  32 -11.122  -7.555   4.358
  232    HD3  ARG  32           HD3      ARG  32 -12.593  -8.095   3.565
  233    HE   ARG  32           HE       ARG  32 -11.108  -8.371   1.533
  234   HH11  ARG  32          HH11      ARG  32  -9.920  -8.705   4.811
  235   HH12  ARG  32          HH12      ARG  32  -8.621  -9.762   4.365
  236   HH21  ARG  32          HH21      ARG  32  -9.397  -9.779   0.946
  237   HH22  ARG  32          HH22      ARG  32  -8.329 -10.377   2.178
  238    H    SER  33           H        SER  33 -10.014  -7.375  -1.438
  239    HA   SER  33           HA       SER  33 -12.329  -7.210  -3.254
  240    HB2  SER  33           HB2      SER  33 -10.608  -7.523  -5.082
  241    HB3  SER  33           HB3      SER  33 -10.424  -6.015  -4.182
  242    HG   SER  33           HG       SER  33  -9.044  -8.314  -3.341
  Start of MODEL    3
    1    HA   ALA   1           HA       ALA   1 -16.325   2.146   0.936
    2    HB1  ALA   1           HB1      ALA   1 -16.275   2.148  -1.505
    3    HB2  ALA   1           HB2      ALA   1 -17.741   3.129  -1.538
    4    HB3  ALA   1           HB3      ALA   1 -17.793   1.486  -0.900
    5    H    SER   2           H        SER   2 -14.351   3.026   0.285
    6    HA   SER   2           HA       SER   2 -14.200   5.846  -0.417
    7    HB2  SER   2           HB2      SER   2 -14.343   5.671   2.164
    8    HB3  SER   2           HB3      SER   2 -12.743   4.933   2.077
    9    HG   SER   2           HG       SER   2 -12.343   7.055   2.321
   10    HA   PRO   3           HA       PRO   3 -11.176   2.773  -2.335
   11    HB2  PRO   3           HB2      PRO   3 -11.630   4.760  -4.518
   12    HB3  PRO   3           HB3      PRO   3 -11.478   2.989  -4.614
   13    HG2  PRO   3           HG2      PRO   3 -13.859   4.099  -4.811
   14    HG3  PRO   3           HG3      PRO   3 -13.639   2.645  -3.814
   15    HD2  PRO   3           HD2      PRO   3 -13.926   5.510  -2.915
   16    HD3  PRO   3           HD3      PRO   3 -14.607   4.013  -2.202
   17    H    GLN   4           H        GLN   4 -11.186   6.240  -1.944
   18    HA   GLN   4           HA       GLN   4  -8.565   6.746  -2.879
   19    HB2  GLN   4           HB2      GLN   4 -10.322   8.256  -0.955
   20    HB3  GLN   4           HB3      GLN   4  -8.718   8.812  -1.415
   21    HG2  GLN   4           HG2      GLN   4 -10.938   8.287  -3.388
   22    HG3  GLN   4           HG3      GLN   4 -10.576   9.869  -2.702
   23   HE21  GLN   4          HE21      GLN   4 -10.085  10.755  -4.718
   24   HE22  GLN   4          HE22      GLN   4  -8.636  10.348  -5.577
   25    H    GLN   5           H        GLN   5  -9.815   5.551   0.123
   26    HA   GLN   5           HA       GLN   5  -7.457   5.959   1.660
   27    HB2  GLN   5           HB2      GLN   5  -9.737   4.006   2.017
   28    HB3  GLN   5           HB3      GLN   5  -8.417   4.179   3.163
   29    HG2  GLN   5           HG2      GLN   5  -9.048   6.544   3.497
   30    HG3  GLN   5           HG3      GLN   5 -10.413   6.311   2.406
   31   HE21  GLN   5          HE21      GLN   5  -9.295   3.905   4.704
   32   HE22  GLN   5          HE22      GLN   5 -10.688   3.976   5.729
   33    H    ALA   6           H        ALA   6  -8.667   3.333  -0.320
   34    HA   ALA   6           HA       ALA   6  -6.545   1.528   0.149
   35    HB1  ALA   6           HB1      ALA   6  -7.287   0.410  -1.906
   36    HB2  ALA   6           HB2      ALA   6  -8.339   1.775  -2.264
   37    HB3  ALA   6           HB3      ALA   6  -8.643   0.781  -0.839
   38    H    LYS   7           H        LYS   7  -7.097   4.027  -2.276
   39    HA   LYS   7           HA       LYS   7  -4.764   3.577  -3.791
   40    HB2  LYS   7           HB2      LYS   7  -6.604   4.902  -4.674
   41    HB3  LYS   7           HB3      LYS   7  -6.407   6.091  -3.395
   42    HG2  LYS   7           HG2      LYS   7  -5.500   6.935  -5.455
   43    HG3  LYS   7           HG3      LYS   7  -4.194   6.670  -4.272
   44    HD2  LYS   7           HD2      LYS   7  -3.782   4.437  -5.384
   45    HD3  LYS   7           HD3      LYS   7  -4.911   4.931  -6.653
   46    HE2  LYS   7           HE2      LYS   7  -2.564   5.366  -7.291
   47    HE3  LYS   7           HE3      LYS   7  -3.505   6.855  -7.175
   48    HZ1  LYS   7           HZ1      LYS   7  -2.559   7.261  -5.002
   49    HZ2  LYS   7           HZ2      LYS   7  -1.320   7.065  -6.135
   50    HZ3  LYS   7           HZ3      LYS   7  -1.698   5.808  -5.068
   51    H    TYR   8           H        TYR   8  -5.400   5.497  -0.918
   52    HA   TYR   8           HA       TYR   8  -2.867   6.758  -0.767
   53    HB2  TYR   8           HB2      TYR   8  -4.890   7.525   0.466
   54    HB3  TYR   8           HB3      TYR   8  -4.784   6.085   1.477
   55    HD1  TYR   8           HD1      TYR   8  -3.423   6.050   3.386
   56    HD2  TYR   8           HD2      TYR   8  -2.984   9.189   0.550
   57    HE1  TYR   8           HE1      TYR   8  -1.971   7.254   4.957
   58    HE2  TYR   8           HE2      TYR   8  -1.525  10.403   2.113
   59    HH   TYR   8           HH       TYR   8  -0.188   8.977   4.875
   60    H    CYS   9           H        CYS   9  -4.186   3.778   0.590
   61    HA   CYS   9           HA       CYS   9  -2.015   3.023   2.179
   62    HB2  CYS   9           HB2      CYS   9  -4.280   1.946   2.193
   63    HB3  CYS   9           HB3      CYS   9  -3.875   1.156   0.664
   64    H    TYR  10           H        TYR  10  -2.744   2.169  -1.200
   65    HA   TYR  10           HA       TYR  10  -0.387   0.648  -1.589
   66    HB2  TYR  10           HB2      TYR  10  -2.362   1.911  -3.492
   67    HB3  TYR  10           HB3      TYR  10  -0.916   1.084  -4.075
   68    HD1  TYR  10           HD1      TYR  10  -4.292   0.673  -2.897
   69    HD2  TYR  10           HD2      TYR  10  -0.577  -1.331  -3.432
   70    HE1  TYR  10           HE1      TYR  10  -5.444  -1.488  -2.776
   71    HE2  TYR  10           HE2      TYR  10  -1.720  -3.494  -3.309
   72    HH   TYR  10           HH       TYR  10  -5.031  -3.855  -3.581
   73    H    GLU  11           H        GLU  11  -1.116   4.069  -2.035
   74    HA   GLU  11           HA       GLU  11   1.185   4.728  -3.525
   75    HB2  GLU  11           HB2      GLU  11  -0.905   6.162  -3.199
   76    HB3  GLU  11           HB3      GLU  11  -0.224   6.583  -1.613
   77    HG2  GLU  11           HG2      GLU  11   0.253   8.295  -3.277
   78    HG3  GLU  11           HG3      GLU  11   1.739   7.527  -2.673
   79    H    GLN  12           H        GLN  12   0.501   4.940  -0.036
   80    HA   GLN  12           HA       GLN  12   3.015   6.006   0.650
   81    HB2  GLN  12           HB2      GLN  12   1.019   4.506   2.350
   82    HB3  GLN  12           HB3      GLN  12   2.460   5.286   2.970
   83    HG2  GLN  12           HG2      GLN  12   0.274   6.676   1.473
   84    HG3  GLN  12           HG3      GLN  12   0.443   6.641   3.221
   85   HE21  GLN  12          HE21      GLN  12   2.272   7.696   4.164
   86   HE22  GLN  12          HE22      GLN  12   3.075   8.983   3.320
   87    H    CYS  13           H        CYS  13   2.021   2.796  -0.081
   88    HA   CYS  13           HA       CYS  13   3.972   1.309   1.242
   89    HB2  CYS  13           HB2      CYS  13   2.544   0.872  -1.384
   90    HB3  CYS  13           HB3      CYS  13   3.713  -0.282  -0.754
   91    H    ASN  14           H        ASN  14   4.121   2.740  -2.043
   92    HA   ASN  14           HA       ASN  14   6.890   1.977  -2.282
   93    HB2  ASN  14           HB2      ASN  14   6.737   3.348  -4.441
   94    HB3  ASN  14           HB3      ASN  14   5.731   1.912  -4.326
   95   HD21  ASN  14          HD21      ASN  14   5.689   5.453  -4.276
   96   HD22  ASN  14          HD22      ASN  14   3.981   5.593  -4.560
   97    H    VAL  15           H        VAL  15   5.097   4.815  -1.366
   98    HA   VAL  15           HA       VAL  15   7.097   6.742  -1.537
   99    HB   VAL  15           HB       VAL  15   4.853   6.471   0.467
  100   HG11  VAL  15          HG11      VAL  15   6.696   8.828   0.041
  101   HG12  VAL  15          HG12      VAL  15   6.656   7.790   1.466
  102   HG13  VAL  15          HG13      VAL  15   5.270   8.809   1.079
  103   HG21  VAL  15          HG21      VAL  15   3.820   8.273  -0.842
  104   HG22  VAL  15          HG22      VAL  15   4.147   6.863  -1.851
  105   HG23  VAL  15          HG23      VAL  15   5.203   8.272  -1.935
  106    H    ASN  16           H        ASN  16   6.343   4.488   1.142
  107    HA   ASN  16           HA       ASN  16   8.612   5.461   2.655
  108    HB2  ASN  16           HB2      ASN  16   6.907   2.989   3.128
  109    HB3  ASN  16           HB3      ASN  16   8.020   3.731   4.281
  110   HD21  ASN  16          HD21      ASN  16   7.219   6.451   3.557
  111   HD22  ASN  16          HD22      ASN  16   5.653   6.676   4.261
  112    H    LYS  17           H        LYS  17   7.944   2.034   2.100
  113    HA   LYS  17           HA       LYS  17   9.531   1.474  -0.033
  114    HB2  LYS  17           HB2      LYS  17  11.462   2.285   1.295
  115    HB3  LYS  17           HB3      LYS  17  11.128   1.027   2.497
  116    HG2  LYS  17           HG2      LYS  17  11.597  -0.712   0.904
  117    HG3  LYS  17           HG3      LYS  17  11.741   0.464  -0.405
  118    HD2  LYS  17           HD2      LYS  17  13.699   1.449   0.622
  119    HD3  LYS  17           HD3      LYS  17  13.561   0.365   2.023
  120    HE2  LYS  17           HE2      LYS  17  15.266  -0.403   0.416
  121    HE3  LYS  17           HE3      LYS  17  13.944  -1.562   0.566
  122    HZ1  LYS  17           HZ1      LYS  17  14.138   0.453  -1.604
  123    HZ2  LYS  17           HZ2      LYS  17  13.038  -0.828  -1.496
  124    HZ3  LYS  17           HZ3      LYS  17  14.679  -1.142  -1.747
  125    H    VAL  18           H        VAL  18   7.651  -0.025  -0.188
  126    HA   VAL  18           HA       VAL  18   8.334  -2.486   1.268
  127    HB   VAL  18           HB       VAL  18   6.259  -2.947   2.109
  128   HG11  VAL  18          HG11      VAL  18   6.051   0.059   1.960
  129   HG12  VAL  18          HG12      VAL  18   6.959  -0.858   3.158
  130   HG13  VAL  18          HG13      VAL  18   5.203  -0.998   3.090
  131   HG21  VAL  18          HG21      VAL  18   4.124  -2.044   1.165
  132   HG22  VAL  18          HG22      VAL  18   5.064  -3.068   0.072
  133   HG23  VAL  18          HG23      VAL  18   5.089  -1.316  -0.125
  134    HA   PRO  19           HA       PRO  19   7.877  -4.387  -2.766
  135    HB2  PRO  19           HB2      PRO  19   7.079  -6.803  -1.267
  136    HB3  PRO  19           HB3      PRO  19   8.437  -6.573  -2.383
  137    HG2  PRO  19           HG2      PRO  19   8.837  -6.817   0.256
  138    HG3  PRO  19           HG3      PRO  19   9.830  -5.746  -0.749
  139    HD2  PRO  19           HD2      PRO  19   7.575  -5.035   1.101
  140    HD3  PRO  19           HD3      PRO  19   9.119  -4.198   0.800
  141    H    PHE  20           H        PHE  20   6.159  -5.087  -4.127
  142    HA   PHE  20           HA       PHE  20   3.656  -4.011  -3.484
  143    HB2  PHE  20           HB2      PHE  20   4.495  -4.370  -5.813
  144    HB3  PHE  20           HB3      PHE  20   4.179  -6.091  -5.617
  145    HD1  PHE  20           HD1      PHE  20   2.656  -2.776  -5.935
  146    HD2  PHE  20           HD2      PHE  20   1.943  -6.961  -5.658
  147    HE1  PHE  20           HE1      PHE  20   0.327  -2.422  -6.645
  148    HE2  PHE  20           HE2      PHE  20  -0.387  -6.616  -6.373
  149    HZ   PHE  20           HZ       PHE  20  -1.197  -4.342  -6.865
  150    H    ASP  21           H        ASP  21   4.776  -7.370  -3.357
  151    HA   ASP  21           HA       ASP  21   2.277  -8.550  -2.834
  152    HB2  ASP  21           HB2      ASP  21   3.474 -10.509  -2.131
  153    HB3  ASP  21           HB3      ASP  21   4.344  -9.814  -3.491
  154    H    GLN  22           H        GLN  22   4.713  -7.168  -0.689
  155    HA   GLN  22           HA       GLN  22   3.418  -7.750   1.754
  156    HB2  GLN  22           HB2      GLN  22   5.708  -7.057   1.807
  157    HB3  GLN  22           HB3      GLN  22   5.342  -5.562   0.953
  158    HG2  GLN  22           HG2      GLN  22   5.665  -4.965   3.193
  159    HG3  GLN  22           HG3      GLN  22   3.916  -4.922   2.928
  160   HE21  GLN  22          HE21      GLN  22   5.418  -5.178   5.399
  161   HE22  GLN  22          HE22      GLN  22   4.899  -6.659   6.131
  162    H    CYS  23           H        CYS  23   3.232  -5.006  -0.471
  163    HA   CYS  23           HA       CYS  23   1.497  -3.427   1.100
  164    HB2  CYS  23           HB2      CYS  23   2.789  -2.645  -0.955
  165    HB3  CYS  23           HB3      CYS  23   1.536  -3.422  -1.923
  166    H    TYR  24           H        TYR  24   0.884  -5.826  -1.414
  167    HA   TYR  24           HA       TYR  24  -1.902  -5.573  -1.504
  168    HB2  TYR  24           HB2      TYR  24  -0.387  -6.884  -3.096
  169    HB3  TYR  24           HB3      TYR  24  -0.414  -8.179  -1.886
  170    HD1  TYR  24           HD1      TYR  24  -2.335  -6.361  -4.397
  171    HD2  TYR  24           HD2      TYR  24  -2.453  -9.441  -1.470
  172    HE1  TYR  24           HE1      TYR  24  -4.444  -7.173  -5.350
  173    HE2  TYR  24           HE2      TYR  24  -4.565 -10.262  -2.413
  174    HH   TYR  24           HH       TYR  24  -5.733  -9.299  -5.435
  175    H    GLN  25           H        GLN  25   0.201  -7.201   0.770
  176    HA   GLN  25           HA       GLN  25  -1.835  -8.874   1.886
  177    HB2  GLN  25           HB2      GLN  25   0.923  -8.077   2.811
  178    HB3  GLN  25           HB3      GLN  25  -0.151  -9.018   3.839
  179    HG2  GLN  25           HG2      GLN  25   0.872  -9.837   1.109
  180    HG3  GLN  25           HG3      GLN  25   1.369 -10.495   2.665
  181   HE21  GLN  25          HE21      GLN  25  -1.042 -10.469   0.208
  182   HE22  GLN  25          HE22      GLN  25  -1.992 -11.778   0.829
  183    H    MET  26           H        MET  26  -0.694  -5.637   2.489
  184    HA   MET  26           HA       MET  26  -2.230  -5.434   4.941
  185    HB2  MET  26           HB2      MET  26  -0.152  -4.344   5.096
  186    HB3  MET  26           HB3      MET  26  -0.314  -3.635   3.499
  187    HG2  MET  26           HG2      MET  26  -2.075  -2.148   4.332
  188    HG3  MET  26           HG3      MET  26  -1.901  -2.853   5.938
  189    HE1  MET  26           HE1      MET  26   1.532  -0.508   3.908
  190    HE2  MET  26           HE2      MET  26   0.071  -1.020   3.064
  191    HE3  MET  26           HE3      MET  26   1.247  -2.219   3.603
  192    H    CYS  27           H        CYS  27  -2.243  -3.971   1.689
  193    HA   CYS  27           HA       CYS  27  -4.474  -2.286   2.408
  194    HB2  CYS  27           HB2      CYS  27  -3.199  -2.648  -0.322
  195    HB3  CYS  27           HB3      CYS  27  -4.252  -1.320   0.204
  196    H    SER  28           H        SER  28  -4.149  -5.389   0.828
  197    HA   SER  28           HA       SER  28  -6.529  -5.274  -0.665
  198    HB2  SER  28           HB2      SER  28  -4.815  -7.031  -1.037
  199    HB3  SER  28           HB3      SER  28  -5.331  -7.804   0.470
  200    HG   SER  28           HG       SER  28  -7.176  -8.409  -0.446
  201    HA   PRO  29           HA       PRO  29  -8.774  -7.279   3.231
  202    HB2  PRO  29           HB2      PRO  29  -7.057  -6.006   5.307
  203    HB3  PRO  29           HB3      PRO  29  -7.906  -7.566   5.348
  204    HG2  PRO  29           HG2      PRO  29  -5.287  -7.526   4.969
  205    HG3  PRO  29           HG3      PRO  29  -6.310  -8.622   4.002
  206    HD2  PRO  29           HD2      PRO  29  -5.075  -5.988   3.215
  207    HD3  PRO  29           HD3      PRO  29  -5.211  -7.498   2.281
  208    H    LEU  30           H        LEU  30  -7.386  -4.179   2.784
  209    HA   LEU  30           HA       LEU  30  -9.462  -2.720   4.192
  210    HB2  LEU  30           HB2      LEU  30  -7.009  -1.991   3.908
  211    HB3  LEU  30           HB3      LEU  30  -7.428  -1.644   2.223
  212    HG   LEU  30           HG       LEU  30  -8.544  -0.263   4.689
  213   HD11  LEU  30          HD11      LEU  30  -6.275   0.389   4.196
  214   HD12  LEU  30          HD12      LEU  30  -7.366   1.691   3.719
  215   HD13  LEU  30          HD13      LEU  30  -6.677   0.626   2.495
  216   HD21  LEU  30          HD21      LEU  30  -9.696   1.240   3.164
  217   HD22  LEU  30          HD22      LEU  30 -10.239  -0.419   2.894
  218   HD23  LEU  30          HD23      LEU  30  -9.100   0.330   1.774
  219    H    GLU  31           H        GLU  31  -8.322  -3.010   0.860
  220    HA   GLU  31           HA       GLU  31 -10.514  -1.612  -0.276
  221    HB2  GLU  31           HB2      GLU  31  -8.254  -1.798  -1.320
  222    HB3  GLU  31           HB3      GLU  31  -8.576  -3.508  -1.628
  223    HG2  GLU  31           HG2      GLU  31 -10.537  -2.810  -3.007
  224    HG3  GLU  31           HG3      GLU  31 -10.001  -1.135  -2.830
  225    H    ARG  32           H        ARG  32  -9.957  -4.953   0.478
  226    HA   ARG  32           HA       ARG  32 -12.455  -5.676  -0.919
  227    HB2  ARG  32           HB2      ARG  32 -10.288  -7.662  -0.188
  228    HB3  ARG  32           HB3      ARG  32 -11.616  -7.879  -1.327
  229    HG2  ARG  32           HG2      ARG  32  -9.126  -6.191  -1.723
  230    HG3  ARG  32           HG3      ARG  32  -9.531  -7.691  -2.547
  231    HD2  ARG  32           HD2      ARG  32 -10.843  -4.993  -2.850
  232    HD3  ARG  32           HD3      ARG  32  -9.947  -5.910  -4.054
  233    HE   ARG  32           HE       ARG  32 -12.264  -7.301  -3.098
  234   HH11  ARG  32          HH11      ARG  32 -11.119  -4.887  -5.350
  235   HH12  ARG  32          HH12      ARG  32 -12.410  -5.138  -6.481
  236   HH21  ARG  32          HH21      ARG  32 -13.975  -7.641  -4.580
  237   HH22  ARG  32          HH22      ARG  32 -14.036  -6.709  -6.042
  238    H    SER  33           H        SER  33 -13.823  -7.184   0.156
  239    HA   SER  33           HA       SER  33 -13.367  -7.269   3.067
  240    HB2  SER  33           HB2      SER  33 -15.950  -7.478   3.135
  241    HB3  SER  33           HB3      SER  33 -15.268  -5.894   2.763
  242    HG   SER  33           HG       SER  33 -16.062  -7.767   0.788
  Start of MODEL    4
    1    HA   ALA   1           HA       ALA   1 -16.784   0.827   2.466
    2    HB1  ALA   1           HB1      ALA   1 -14.335  -0.816   1.846
    3    HB2  ALA   1           HB2      ALA   1 -15.945  -1.464   2.150
    4    HB3  ALA   1           HB3      ALA   1 -15.086  -0.603   3.427
    5    H    SER   2           H        SER   2 -13.552   1.022   0.926
    6    HA   SER   2           HA       SER   2 -13.271   3.752   1.890
    7    HB2  SER   2           HB2      SER   2 -11.437   1.531   2.865
    8    HB3  SER   2           HB3      SER   2 -11.156   3.249   3.126
    9    HG   SER   2           HG       SER   2 -13.530   2.977   3.990
   10    HA   PRO   3           HA       PRO   3 -11.210   2.358  -2.191
   11    HB2  PRO   3           HB2      PRO   3 -12.621   4.751  -3.216
   12    HB3  PRO   3           HB3      PRO   3 -12.503   3.120  -3.909
   13    HG2  PRO   3           HG2      PRO   3 -14.768   3.999  -2.791
   14    HG3  PRO   3           HG3      PRO   3 -14.243   2.310  -2.648
   15    HD2  PRO   3           HD2      PRO   3 -14.112   4.497  -0.585
   16    HD3  PRO   3           HD3      PRO   3 -14.445   2.752  -0.381
   17    H    GLN   4           H        GLN   4 -11.861   5.765  -1.400
   18    HA   GLN   4           HA       GLN   4  -9.595   6.836  -2.588
   19    HB2  GLN   4           HB2      GLN   4 -10.050   8.858  -1.316
   20    HB3  GLN   4           HB3      GLN   4 -11.550   8.168  -1.920
   21    HG2  GLN   4           HG2      GLN   4 -10.545   7.701   0.878
   22    HG3  GLN   4           HG3      GLN   4 -11.600   9.043   0.450
   23   HE21  GLN   4          HE21      GLN   4 -13.151   7.525  -1.480
   24   HE22  GLN   4          HE22      GLN   4 -14.159   6.460  -0.556
   25    H    GLN   5           H        GLN   5 -10.024   5.517   0.614
   26    HA   GLN   5           HA       GLN   5  -7.491   6.460   1.583
   27    HB2  GLN   5           HB2      GLN   5  -9.259   4.296   2.720
   28    HB3  GLN   5           HB3      GLN   5  -7.916   5.060   3.543
   29    HG2  GLN   5           HG2      GLN   5  -9.101   7.190   3.556
   30    HG3  GLN   5           HG3      GLN   5 -10.442   6.467   2.672
   31   HE21  GLN   5          HE21      GLN   5  -8.667   4.837   5.220
   32   HE22  GLN   5          HE22      GLN   5  -9.965   4.822   6.364
   33    H    ALA   6           H        ALA   6  -8.741   3.524   0.165
   34    HA   ALA   6           HA       ALA   6  -6.501   1.881   0.603
   35    HB1  ALA   6           HB1      ALA   6  -7.376   0.492  -1.196
   36    HB2  ALA   6           HB2      ALA   6  -8.501   1.772  -1.644
   37    HB3  ALA   6           HB3      ALA   6  -8.654   0.973  -0.078
   38    H    LYS   7           H        LYS   7  -7.321   4.146  -1.966
   39    HA   LYS   7           HA       LYS   7  -5.168   3.535  -3.676
   40    HB2  LYS   7           HB2      LYS   7  -7.173   4.922  -4.275
   41    HB3  LYS   7           HB3      LYS   7  -6.497   6.228  -3.314
   42    HG2  LYS   7           HG2      LYS   7  -6.073   6.543  -5.693
   43    HG3  LYS   7           HG3      LYS   7  -4.560   6.348  -4.771
   44    HD2  LYS   7           HD2      LYS   7  -4.392   4.024  -5.487
   45    HD3  LYS   7           HD3      LYS   7  -5.951   4.130  -6.312
   46    HE2  LYS   7           HE2      LYS   7  -3.449   5.675  -7.015
   47    HE3  LYS   7           HE3      LYS   7  -4.112   4.315  -7.921
   48    HZ1  LYS   7           HZ1      LYS   7  -5.474   6.920  -7.496
   49    HZ2  LYS   7           HZ2      LYS   7  -6.072   5.622  -8.398
   50    HZ3  LYS   7           HZ3      LYS   7  -4.688   6.445  -8.913
   51    H    TYR   8           H        TYR   8  -5.457   5.609  -0.865
   52    HA   TYR   8           HA       TYR   8  -2.895   6.802  -1.005
   53    HB2  TYR   8           HB2      TYR   8  -4.696   7.701   0.414
   54    HB3  TYR   8           HB3      TYR   8  -4.645   6.241   1.405
   55    HD1  TYR   8           HD1      TYR   8  -3.081   6.001   3.153
   56    HD2  TYR   8           HD2      TYR   8  -2.727   9.250   0.433
   57    HE1  TYR   8           HE1      TYR   8  -1.398   7.029   4.614
   58    HE2  TYR   8           HE2      TYR   8  -1.040  10.292   1.892
   59    HH   TYR   8           HH       TYR   8  -0.376  10.235   4.272
   60    H    CYS   9           H        CYS   9  -4.117   3.856   0.506
   61    HA   CYS   9           HA       CYS   9  -1.802   3.071   1.882
   62    HB2  CYS   9           HB2      CYS   9  -4.091   2.029   2.120
   63    HB3  CYS   9           HB3      CYS   9  -3.823   1.212   0.575
   64    H    TYR  10           H        TYR  10  -2.896   2.320  -1.410
   65    HA   TYR  10           HA       TYR  10  -0.623   0.721  -2.036
   66    HB2  TYR  10           HB2      TYR  10  -2.814   1.949  -3.719
   67    HB3  TYR  10           HB3      TYR  10  -1.459   1.079  -4.445
   68    HD1  TYR  10           HD1      TYR  10  -4.650   0.763  -2.774
   69    HD2  TYR  10           HD2      TYR  10  -1.097  -1.319  -3.840
   70    HE1  TYR  10           HE1      TYR  10  -5.808  -1.373  -2.444
   71    HE2  TYR  10           HE2      TYR  10  -2.245  -3.455  -3.511
   72    HH   TYR  10           HH       TYR  10  -5.615  -3.718  -3.182
   73    H    GLU  11           H        GLU  11  -1.316   4.156  -2.343
   74    HA   GLU  11           HA       GLU  11   0.852   4.702  -4.090
   75    HB2  GLU  11           HB2      GLU  11  -1.028   6.281  -3.830
   76    HB3  GLU  11           HB3      GLU  11  -0.542   6.581  -2.147
   77    HG2  GLU  11           HG2      GLU  11   1.631   7.441  -2.987
   78    HG3  GLU  11           HG3      GLU  11   1.014   7.257  -4.644
   79    H    GLN  12           H        GLN  12   0.495   4.958  -0.545
   80    HA   GLN  12           HA       GLN  12   3.150   6.044  -0.312
   81    HB2  GLN  12           HB2      GLN  12   1.127   5.295   1.806
   82    HB3  GLN  12           HB3      GLN  12   2.647   6.110   2.107
   83    HG2  GLN  12           HG2      GLN  12   0.760   7.271   0.138
   84    HG3  GLN  12           HG3      GLN  12   0.435   7.444   1.855
   85   HE21  GLN  12          HE21      GLN  12   3.686   7.314   0.655
   86   HE22  GLN  12          HE22      GLN  12   4.067   8.980   0.935
   87    H    CYS  13           H        CYS  13   1.832   2.881  -0.249
   88    HA   CYS  13           HA       CYS  13   3.405   1.675   1.722
   89    HB2  CYS  13           HB2      CYS  13   2.892  -0.449   0.596
   90    HB3  CYS  13           HB3      CYS  13   1.456   0.577   0.654
   91    H    ASN  14           H        ASN  14   4.031   1.738  -1.805
   92    HA   ASN  14           HA       ASN  14   6.680   0.719  -1.539
   93    HB2  ASN  14           HB2      ASN  14   5.403   2.257  -3.813
   94    HB3  ASN  14           HB3      ASN  14   6.983   1.502  -3.905
   95   HD21  ASN  14          HD21      ASN  14   6.205  -0.871  -2.387
   96   HD22  ASN  14          HD22      ASN  14   5.186  -1.789  -3.446
   97    H    VAL  15           H        VAL  15   5.329   3.919  -1.363
   98    HA   VAL  15           HA       VAL  15   7.735   5.344  -1.842
   99    HB   VAL  15           HB       VAL  15   5.216   6.213  -0.414
  100   HG11  VAL  15          HG11      VAL  15   7.588   7.852  -1.315
  101   HG12  VAL  15          HG12      VAL  15   7.061   7.588   0.347
  102   HG13  VAL  15          HG13      VAL  15   6.055   8.521  -0.761
  103   HG21  VAL  15          HG21      VAL  15   4.742   7.428  -2.492
  104   HG22  VAL  15          HG22      VAL  15   4.886   5.694  -2.784
  105   HG23  VAL  15          HG23      VAL  15   6.214   6.772  -3.212
  106    H    ASN  16           H        ASN  16   6.120   4.154   1.089
  107    HA   ASN  16           HA       ASN  16   8.008   5.289   2.895
  108    HB2  ASN  16           HB2      ASN  16   6.255   2.825   3.234
  109    HB3  ASN  16           HB3      ASN  16   7.138   3.637   4.529
  110   HD21  ASN  16          HD21      ASN  16   6.570   6.303   3.529
  111   HD22  ASN  16          HD22      ASN  16   4.903   6.597   3.885
  112    H    LYS  17           H        LYS  17   7.565   1.808   2.434
  113    HA   LYS  17           HA       LYS  17   9.828   1.193   1.001
  114    HB2  LYS  17           HB2      LYS  17  10.390   1.559   3.869
  115    HB3  LYS  17           HB3      LYS  17  10.928   0.009   3.210
  116    HG2  LYS  17           HG2      LYS  17  12.247   1.163   1.520
  117    HG3  LYS  17           HG3      LYS  17  11.660   2.727   2.100
  118    HD2  LYS  17           HD2      LYS  17  12.676   2.147   4.354
  119    HD3  LYS  17           HD3      LYS  17  13.409   0.737   3.556
  120    HE2  LYS  17           HE2      LYS  17  14.579   2.188   2.001
  121    HE3  LYS  17           HE3      LYS  17  13.816   3.609   2.712
  122    HZ1  LYS  17           HZ1      LYS  17  16.053   3.319   3.538
  123    HZ2  LYS  17           HZ2      LYS  17  15.690   1.764   4.093
  124    HZ3  LYS  17           HZ3      LYS  17  14.944   3.107   4.795
  125    H    VAL  18           H        VAL  18   8.075  -0.226   0.193
  126    HA   VAL  18           HA       VAL  18   8.172  -2.761   1.622
  127    HB   VAL  18           HB       VAL  18   5.912  -3.175   1.899
  128   HG11  VAL  18          HG11      VAL  18   6.569  -1.425   3.470
  129   HG12  VAL  18          HG12      VAL  18   4.855  -1.338   3.063
  130   HG13  VAL  18          HG13      VAL  18   5.993  -0.195   2.344
  131   HG21  VAL  18          HG21      VAL  18   4.087  -1.997   0.792
  132   HG22  VAL  18          HG22      VAL  18   5.233  -2.692  -0.359
  133   HG23  VAL  18          HG23      VAL  18   5.258  -0.957  -0.027
  134    HA   PRO  19           HA       PRO  19   8.209  -4.316  -2.619
  135    HB2  PRO  19           HB2      PRO  19   7.278  -6.813  -1.343
  136    HB3  PRO  19           HB3      PRO  19   8.726  -6.528  -2.327
  137    HG2  PRO  19           HG2      PRO  19   8.913  -6.934   0.311
  138    HG3  PRO  19           HG3      PRO  19   9.975  -5.794  -0.536
  139    HD2  PRO  19           HD2      PRO  19   7.558  -5.214   1.149
  140    HD3  PRO  19           HD3      PRO  19   9.120  -4.364   1.059
  141    H    PHE  20           H        PHE  20   6.576  -5.104  -4.160
  142    HA   PHE  20           HA       PHE  20   4.092  -3.909  -3.752
  143    HB2  PHE  20           HB2      PHE  20   5.015  -4.451  -5.998
  144    HB3  PHE  20           HB3      PHE  20   4.641  -6.147  -5.712
  145    HD1  PHE  20           HD1      PHE  20   3.228  -2.816  -6.290
  146    HD2  PHE  20           HD2      PHE  20   2.388  -6.961  -5.828
  147    HE1  PHE  20           HE1      PHE  20   0.944  -2.442  -7.129
  148    HE2  PHE  20           HE2      PHE  20   0.104  -6.597  -6.668
  149    HZ   PHE  20           HZ       PHE  20  -0.621  -4.336  -7.316
  150    H    ASP  21           H        ASP  21   4.971  -7.337  -3.405
  151    HA   ASP  21           HA       ASP  21   2.390  -8.311  -2.900
  152    HB2  ASP  21           HB2      ASP  21   3.561 -10.211  -1.762
  153    HB3  ASP  21           HB3      ASP  21   4.148  -9.868  -3.388
  154    H    GLN  22           H        GLN  22   4.819  -6.974  -0.711
  155    HA   GLN  22           HA       GLN  22   3.378  -7.309   1.691
  156    HB2  GLN  22           HB2      GLN  22   5.725  -6.759   1.747
  157    HB3  GLN  22           HB3      GLN  22   5.450  -5.272   0.846
  158    HG2  GLN  22           HG2      GLN  22   5.805  -4.691   3.110
  159    HG3  GLN  22           HG3      GLN  22   4.087  -4.450   2.758
  160   HE21  GLN  22          HE21      GLN  22   6.434  -6.350   4.473
  161   HE22  GLN  22          HE22      GLN  22   5.307  -7.146   5.519
  162    H    CYS  23           H        CYS  23   3.429  -4.744  -0.746
  163    HA   CYS  23           HA       CYS  23   1.683  -2.957   0.565
  164    HB2  CYS  23           HB2      CYS  23   3.033  -2.393  -1.502
  165    HB3  CYS  23           HB3      CYS  23   1.881  -3.349  -2.436
  166    H    TYR  24           H        TYR  24   1.066  -5.559  -1.735
  167    HA   TYR  24           HA       TYR  24  -1.726  -5.259  -1.837
  168    HB2  TYR  24           HB2      TYR  24  -0.180  -6.637  -3.385
  169    HB3  TYR  24           HB3      TYR  24  -0.309  -7.908  -2.157
  170    HD1  TYR  24           HD1      TYR  24  -2.489  -8.985  -1.725
  171    HD2  TYR  24           HD2      TYR  24  -1.984  -6.138  -4.842
  172    HE1  TYR  24           HE1      TYR  24  -4.585  -9.742  -2.750
  173    HE2  TYR  24           HE2      TYR  24  -4.080  -6.884  -5.873
  174    HH   TYR  24           HH       TYR  24  -6.311  -8.877  -4.265
  175    H    GLN  25           H        GLN  25   0.378  -7.076   0.357
  176    HA   GLN  25           HA       GLN  25  -1.799  -8.606   1.424
  177    HB2  GLN  25           HB2      GLN  25  -0.232  -9.770   2.670
  178    HB3  GLN  25           HB3      GLN  25   0.794  -9.150   1.383
  179    HG2  GLN  25           HG2      GLN  25   1.594  -7.375   2.824
  180    HG3  GLN  25           HG3      GLN  25   0.481  -7.871   4.094
  181   HE21  GLN  25          HE21      GLN  25   2.179 -10.162   2.087
  182   HE22  GLN  25          HE22      GLN  25   3.230 -10.760   3.325
  183    H    MET  26           H        MET  26  -0.403  -5.527   2.152
  184    HA   MET  26           HA       MET  26  -1.660  -5.410   4.758
  185    HB2  MET  26           HB2      MET  26   0.471  -4.323   4.578
  186    HB3  MET  26           HB3      MET  26  -0.045  -3.435   3.154
  187    HG2  MET  26           HG2      MET  26  -1.664  -2.189   4.554
  188    HG3  MET  26           HG3      MET  26  -1.041  -3.031   5.973
  189    HE1  MET  26           HE1      MET  26   1.541  -0.155   3.427
  190    HE2  MET  26           HE2      MET  26  -0.105  -0.624   2.999
  191    HE3  MET  26           HE3      MET  26   1.199  -1.808   2.929
  192    H    CYS  27           H        CYS  27  -2.111  -3.951   1.546
  193    HA   CYS  27           HA       CYS  27  -4.260  -2.297   2.539
  194    HB2  CYS  27           HB2      CYS  27  -3.367  -2.655  -0.338
  195    HB3  CYS  27           HB3      CYS  27  -4.348  -1.336   0.332
  196    H    SER  28           H        SER  28  -4.067  -5.413   0.927
  197    HA   SER  28           HA       SER  28  -6.597  -5.339  -0.276
  198    HB2  SER  28           HB2      SER  28  -6.481  -7.850  -0.301
  199    HB3  SER  28           HB3      SER  28  -5.111  -7.017  -1.046
  200    HG   SER  28           HG       SER  28  -3.833  -7.627   0.578
  201    HA   PRO  29           HA       PRO  29  -8.419  -7.430   3.772
  202    HB2  PRO  29           HB2      PRO  29  -6.618  -6.132   5.754
  203    HB3  PRO  29           HB3      PRO  29  -7.365  -7.743   5.795
  204    HG2  PRO  29           HG2      PRO  29  -4.783  -7.520   5.243
  205    HG3  PRO  29           HG3      PRO  29  -5.799  -8.651   4.313
  206    HD2  PRO  29           HD2      PRO  29  -4.821  -5.906   3.535
  207    HD3  PRO  29           HD3      PRO  29  -4.879  -7.400   2.565
  208    H    LEU  30           H        LEU  30  -7.194  -4.297   3.228
  209    HA   LEU  30           HA       LEU  30  -9.174  -2.942   4.858
  210    HB2  LEU  30           HB2      LEU  30  -7.121  -1.789   4.821
  211    HB3  LEU  30           HB3      LEU  30  -6.910  -2.061   3.082
  212    HG   LEU  30           HG       LEU  30  -8.721  -0.462   2.612
  213   HD11  LEU  30          HD11      LEU  30  -9.593   0.982   4.368
  214   HD12  LEU  30          HD12      LEU  30  -8.708   0.063   5.584
  215   HD13  LEU  30          HD13      LEU  30 -10.006  -0.705   4.670
  216   HD21  LEU  30          HD21      LEU  30  -6.514   0.622   4.363
  217   HD22  LEU  30          HD22      LEU  30  -7.483   1.563   3.231
  218   HD23  LEU  30          HD23      LEU  30  -6.409   0.297   2.631
  219    H    GLU  31           H        GLU  31  -8.310  -3.062   1.431
  220    HA   GLU  31           HA       GLU  31 -10.664  -1.657   0.625
  221    HB2  GLU  31           HB2      GLU  31  -8.421  -1.610  -0.535
  222    HB3  GLU  31           HB3      GLU  31  -8.769  -3.243  -1.117
  223    HG2  GLU  31           HG2      GLU  31 -10.532  -0.861  -1.717
  224    HG3  GLU  31           HG3      GLU  31  -9.203  -1.383  -2.760
  225    H    ARG  32           H        ARG  32  -9.626  -5.052   0.446
  226    HA   ARG  32           HA       ARG  32 -12.173  -5.662  -0.880
  227    HB2  ARG  32           HB2      ARG  32  -9.880  -6.393  -1.867
  228    HB3  ARG  32           HB3      ARG  32  -9.879  -7.611  -0.582
  229    HG2  ARG  32           HG2      ARG  32 -10.763  -8.746  -2.435
  230    HG3  ARG  32           HG3      ARG  32 -12.181  -8.312  -1.482
  231    HD2  ARG  32           HD2      ARG  32 -11.225  -7.168  -4.089
  232    HD3  ARG  32           HD3      ARG  32 -12.818  -7.778  -3.655
  233    HE   ARG  32           HE       ARG  32 -11.709  -5.145  -2.944
  234   HH11  ARG  32          HH11      ARG  32 -14.449  -7.343  -3.090
  235   HH12  ARG  32          HH12      ARG  32 -15.613  -6.111  -2.731
  236   HH21  ARG  32          HH21      ARG  32 -13.237  -3.538  -2.458
  237   HH22  ARG  32          HH22      ARG  32 -14.928  -3.953  -2.364
  238    H    SER  33           H        SER  33 -12.952  -5.204   1.408
  239    HA   SER  33           HA       SER  33 -13.496  -7.816   2.592
  240    HB2  SER  33           HB2      SER  33 -12.585  -5.439   4.254
  241    HB3  SER  33           HB3      SER  33 -13.179  -6.967   4.898
  242    HG   SER  33           HG       SER  33 -10.722  -6.402   4.375
  Start of MODEL    5
    1    HA   ALA   1           HA       ALA   1 -15.527   0.483   1.662
    2    HB1  ALA   1           HB1      ALA   1 -17.986   0.420   1.844
    3    HB2  ALA   1           HB2      ALA   1 -17.438   1.232   0.378
    4    HB3  ALA   1           HB3      ALA   1 -18.019   2.180   1.746
    5    H    SER   2           H        SER   2 -13.841   1.509   0.808
    6    HA   SER   2           HA       SER   2 -14.042   4.178  -0.160
    7    HB2  SER   2           HB2      SER   2 -13.679   4.706   2.259
    8    HB3  SER   2           HB3      SER   2 -12.167   3.797   2.201
    9    HG   SER   2           HG       SER   2 -12.279   6.264   1.787
   10    HA   PRO   3           HA       PRO   3 -10.866   1.586  -2.378
   11    HB2  PRO   3           HB2      PRO   3 -12.097   3.245  -4.532
   12    HB3  PRO   3           HB3      PRO   3 -11.608   1.535  -4.563
   13    HG2  PRO   3           HG2      PRO   3 -14.169   2.156  -4.402
   14    HG3  PRO   3           HG3      PRO   3 -13.505   0.847  -3.401
   15    HD2  PRO   3           HD2      PRO   3 -14.191   3.671  -2.580
   16    HD3  PRO   3           HD3      PRO   3 -14.477   2.127  -1.714
   17    H    GLN   4           H        GLN   4 -11.673   4.886  -1.887
   18    HA   GLN   4           HA       GLN   4  -9.481   6.062  -3.278
   19    HB2  GLN   4           HB2      GLN   4 -11.358   7.121  -1.167
   20    HB3  GLN   4           HB3      GLN   4 -10.051   8.087  -1.835
   21    HG2  GLN   4           HG2      GLN   4 -11.023   7.933  -4.060
   22    HG3  GLN   4           HG3      GLN   4 -12.291   6.870  -3.452
   23   HE21  GLN   4          HE21      GLN   4 -11.139   9.571  -1.580
   24   HE22  GLN   4          HE22      GLN   4 -12.561  10.546  -1.755
   25    H    GLN   5           H        GLN   5 -10.092   5.419   0.173
   26    HA   GLN   5           HA       GLN   5  -7.581   6.352   1.046
   27    HB2  GLN   5           HB2      GLN   5  -8.030   5.358   3.149
   28    HB3  GLN   5           HB3      GLN   5  -9.585   5.880   2.524
   29    HG2  GLN   5           HG2      GLN   5 -10.154   3.628   1.904
   30    HG3  GLN   5           HG3      GLN   5  -8.541   3.065   2.327
   31   HE21  GLN   5          HE21      GLN   5  -8.389   4.701   4.744
   32   HE22  GLN   5          HE22      GLN   5  -9.424   3.933   5.901
   33    H    ALA   6           H        ALA   6  -8.595   3.363  -0.330
   34    HA   ALA   6           HA       ALA   6  -6.381   1.774   0.388
   35    HB1  ALA   6           HB1      ALA   6  -8.482   0.860  -0.510
   36    HB2  ALA   6           HB2      ALA   6  -7.058   0.280  -1.376
   37    HB3  ALA   6           HB3      ALA   6  -8.074   1.533  -2.089
   38    H    LYS   7           H        LYS   7  -6.974   3.973  -2.293
   39    HA   LYS   7           HA       LYS   7  -4.679   3.372  -3.805
   40    HB2  LYS   7           HB2      LYS   7  -6.584   4.728  -4.648
   41    HB3  LYS   7           HB3      LYS   7  -6.119   6.028  -3.562
   42    HG2  LYS   7           HG2      LYS   7  -5.381   6.480  -5.824
   43    HG3  LYS   7           HG3      LYS   7  -3.987   6.272  -4.731
   44    HD2  LYS   7           HD2      LYS   7  -3.682   3.979  -5.531
   45    HD3  LYS   7           HD3      LYS   7  -5.108   4.122  -6.563
   46    HE2  LYS   7           HE2      LYS   7  -3.033   4.407  -7.855
   47    HE3  LYS   7           HE3      LYS   7  -4.005   5.878  -7.860
   48    HZ1  LYS   7           HZ1      LYS   7  -1.653   6.330  -7.511
   49    HZ2  LYS   7           HZ2      LYS   7  -1.660   5.384  -6.111
   50    HZ3  LYS   7           HZ3      LYS   7  -2.568   6.809  -6.170
   51    H    TYR   8           H        TYR   8  -5.237   5.529  -1.088
   52    HA   TYR   8           HA       TYR   8  -2.670   6.714  -1.041
   53    HB2  TYR   8           HB2      TYR   8  -4.592   7.680   0.165
   54    HB3  TYR   8           HB3      TYR   8  -4.631   6.275   1.229
   55    HD1  TYR   8           HD1      TYR   8  -2.618   9.220   0.260
   56    HD2  TYR   8           HD2      TYR   8  -3.230   6.134   3.120
   57    HE1  TYR   8           HE1      TYR   8  -1.052  10.338   1.794
   58    HE2  TYR   8           HE2      TYR   8  -1.667   7.235   4.656
   59    HH   TYR   8           HH       TYR   8   0.093   8.801   4.687
   60    H    CYS   9           H        CYS   9  -4.051   3.876   0.544
   61    HA   CYS   9           HA       CYS   9  -1.898   3.174   2.177
   62    HB2  CYS   9           HB2      CYS   9  -4.219   2.130   2.172
   63    HB3  CYS   9           HB3      CYS   9  -3.714   1.197   0.758
   64    H    TYR  10           H        TYR  10  -2.637   2.176  -1.154
   65    HA   TYR  10           HA       TYR  10  -0.292   0.604  -1.468
   66    HB2  TYR  10           HB2      TYR  10  -2.318   1.718  -3.408
   67    HB3  TYR  10           HB3      TYR  10  -0.872   0.871  -3.971
   68    HD1  TYR  10           HD1      TYR  10  -4.206   0.503  -2.637
   69    HD2  TYR  10           HD2      TYR  10  -0.488  -1.483  -3.225
   70    HE1  TYR  10           HE1      TYR  10  -5.319  -1.664  -2.342
   71    HE2  TYR  10           HE2      TYR  10  -1.591  -3.644  -2.932
   72    HH   TYR  10           HH       TYR  10  -4.877  -4.084  -3.068
   73    H    GLU  11           H        GLU  11  -1.082   3.952  -2.355
   74    HA   GLU  11           HA       GLU  11   1.204   4.382  -3.929
   75    HB2  GLU  11           HB2      GLU  11  -0.875   5.818  -3.912
   76    HB3  GLU  11           HB3      GLU  11  -0.303   6.507  -2.377
   77    HG2  GLU  11           HG2      GLU  11   1.757   7.252  -3.547
   78    HG3  GLU  11           HG3      GLU  11   1.048   6.672  -5.072
   79    H    GLN  12           H        GLN  12   0.648   4.780  -0.447
   80    HA   GLN  12           HA       GLN  12   3.159   6.119  -0.092
   81    HB2  GLN  12           HB2      GLN  12   1.209   5.003   1.922
   82    HB3  GLN  12           HB3      GLN  12   2.639   5.935   2.333
   83    HG2  GLN  12           HG2      GLN  12   0.384   6.898   0.606
   84    HG3  GLN  12           HG3      GLN  12   0.586   7.271   2.312
   85   HE21  GLN  12          HE21      GLN  12   3.504   7.505   2.066
   86   HE22  GLN  12          HE22      GLN  12   3.784   9.014   1.265
   87    H    CYS  13           H        CYS  13   2.173   2.849  -0.282
   88    HA   CYS  13           HA       CYS  13   3.933   1.614   1.471
   89    HB2  CYS  13           HB2      CYS  13   2.664   0.711  -1.100
   90    HB3  CYS  13           HB3      CYS  13   3.907  -0.290  -0.338
   91    H    ASN  14           H        ASN  14   4.555   2.131  -2.046
   92    HA   ASN  14           HA       ASN  14   7.283   1.379  -1.714
   93    HB2  ASN  14           HB2      ASN  14   7.618   1.964  -4.029
   94    HB3  ASN  14           HB3      ASN  14   6.095   1.108  -3.877
   95   HD21  ASN  14          HD21      ASN  14   4.640   3.470  -2.883
   96   HD22  ASN  14          HD22      ASN  14   4.456   4.515  -4.244
   97    H    VAL  15           H        VAL  15   5.592   4.383  -1.489
   98    HA   VAL  15           HA       VAL  15   7.747   6.160  -1.693
   99    HB   VAL  15           HB       VAL  15   5.181   6.362  -0.110
  100   HG11  VAL  15          HG11      VAL  15   6.877   7.778   0.933
  101   HG12  VAL  15          HG12      VAL  15   5.655   8.756   0.119
  102   HG13  VAL  15          HG13      VAL  15   7.233   8.513  -0.628
  103   HG21  VAL  15          HG21      VAL  15   4.520   7.916  -1.894
  104   HG22  VAL  15          HG22      VAL  15   4.899   6.319  -2.540
  105   HG23  VAL  15          HG23      VAL  15   6.060   7.635  -2.706
  106    H    ASN  16           H        ASN  16   6.397   4.416   1.114
  107    HA   ASN  16           HA       ASN  16   8.398   5.523   2.884
  108    HB2  ASN  16           HB2      ASN  16   6.508   3.186   3.339
  109    HB3  ASN  16           HB3      ASN  16   7.442   4.029   4.578
  110   HD21  ASN  16          HD21      ASN  16   6.941   6.658   3.397
  111   HD22  ASN  16          HD22      ASN  16   5.296   7.034   3.788
  112    H    LYS  17           H        LYS  17   7.665   2.065   2.521
  113    HA   LYS  17           HA       LYS  17   9.773   1.305   0.944
  114    HB2  LYS  17           HB2      LYS  17  11.441   0.363   2.431
  115    HB3  LYS  17           HB3      LYS  17  11.254   2.086   2.768
  116    HG2  LYS  17           HG2      LYS  17  10.012  -0.131   4.404
  117    HG3  LYS  17           HG3      LYS  17  11.544   0.657   4.785
  118    HD2  LYS  17           HD2      LYS  17  10.451   2.782   5.097
  119    HD3  LYS  17           HD3      LYS  17   8.893   2.128   4.544
  120    HE2  LYS  17           HE2      LYS  17   8.941   0.555   6.465
  121    HE3  LYS  17           HE3      LYS  17  10.430   1.316   7.021
  122    HZ1  LYS  17           HZ1      LYS  17   7.782   2.628   6.752
  123    HZ2  LYS  17           HZ2      LYS  17   9.208   3.414   7.208
  124    HZ3  LYS  17           HZ3      LYS  17   8.554   2.210   8.199
  125    H    VAL  18           H        VAL  18   7.896   0.061   0.250
  126    HA   VAL  18           HA       VAL  18   8.010  -2.579   1.341
  127    HB   VAL  18           HB       VAL  18   6.323  -2.435   2.823
  128   HG11  VAL  18          HG11      VAL  18   4.714  -0.596   2.970
  129   HG12  VAL  18          HG12      VAL  18   5.326   0.051   1.448
  130   HG13  VAL  18          HG13      VAL  18   6.376  -0.011   2.862
  131   HG21  VAL  18          HG21      VAL  18   4.601  -2.145   0.360
  132   HG22  VAL  18          HG22      VAL  18   4.059  -2.716   1.940
  133   HG23  VAL  18          HG23      VAL  18   5.228  -3.656   1.013
  134    HA   PRO  19           HA       PRO  19   7.397  -3.353  -3.009
  135    HB2  PRO  19           HB2      PRO  19   6.855  -6.096  -2.022
  136    HB3  PRO  19           HB3      PRO  19   8.053  -5.544  -3.207
  137    HG2  PRO  19           HG2      PRO  19   8.800  -6.310  -0.759
  138    HG3  PRO  19           HG3      PRO  19   9.591  -4.957  -1.591
  139    HD2  PRO  19           HD2      PRO  19   7.557  -4.885   0.614
  140    HD3  PRO  19           HD3      PRO  19   8.983  -3.855   0.336
  141    H    PHE  20           H        PHE  20   5.656  -3.867  -4.410
  142    HA   PHE  20           HA       PHE  20   3.113  -3.193  -3.520
  143    HB2  PHE  20           HB2      PHE  20   3.880  -3.116  -5.905
  144    HB3  PHE  20           HB3      PHE  20   3.699  -4.865  -5.972
  145    HD1  PHE  20           HD1      PHE  20   1.514  -5.893  -6.043
  146    HD2  PHE  20           HD2      PHE  20   1.942  -1.669  -5.765
  147    HE1  PHE  20           HE1      PHE  20  -0.858  -5.617  -6.634
  148    HE2  PHE  20           HE2      PHE  20  -0.430  -1.386  -6.353
  149    HZ   PHE  20           HZ       PHE  20  -1.834  -3.361  -6.788
  150    H    ASP  21           H        ASP  21   4.493  -6.426  -4.011
  151    HA   ASP  21           HA       ASP  21   2.114  -7.876  -3.634
  152    HB2  ASP  21           HB2      ASP  21   3.588  -9.814  -3.177
  153    HB3  ASP  21           HB3      ASP  21   4.057  -8.933  -4.629
  154    H    GLN  22           H        GLN  22   4.616  -6.906  -1.310
  155    HA   GLN  22           HA       GLN  22   3.330  -8.044   0.942
  156    HB2  GLN  22           HB2      GLN  22   5.674  -7.514   1.063
  157    HB3  GLN  22           HB3      GLN  22   5.366  -5.822   0.703
  158    HG2  GLN  22           HG2      GLN  22   4.024  -5.748   2.846
  159    HG3  GLN  22           HG3      GLN  22   4.708  -7.337   3.205
  160   HE21  GLN  22          HE21      GLN  22   7.262  -6.744   1.959
  161   HE22  GLN  22          HE22      GLN  22   8.088  -5.670   3.038
  162    H    CYS  23           H        CYS  23   3.126  -4.923  -0.669
  163    HA   CYS  23           HA       CYS  23   1.524  -3.609   1.264
  164    HB2  CYS  23           HB2      CYS  23   2.695  -2.535  -0.750
  165    HB3  CYS  23           HB3      CYS  23   1.347  -3.130  -1.720
  166    H    TYR  24           H        TYR  24   0.760  -5.669  -1.476
  167    HA   TYR  24           HA       TYR  24  -2.017  -5.527  -1.459
  168    HB2  TYR  24           HB2      TYR  24  -0.478  -6.761  -3.110
  169    HB3  TYR  24           HB3      TYR  24  -0.478  -8.088  -1.940
  170    HD1  TYR  24           HD1      TYR  24  -2.301  -6.403  -4.552
  171    HD2  TYR  24           HD2      TYR  24  -2.633  -9.241  -1.406
  172    HE1  TYR  24           HE1      TYR  24  -4.388  -7.243  -5.537
  173    HE2  TYR  24           HE2      TYR  24  -4.720 -10.087  -2.379
  174    HH   TYR  24           HH       TYR  24  -5.705  -9.445  -5.479
  175    H    GLN  25           H        GLN  25   0.189  -7.246   0.650
  176    HA   GLN  25           HA       GLN  25  -1.780  -8.991   1.757
  177    HB2  GLN  25           HB2      GLN  25   1.019  -8.223   2.574
  178    HB3  GLN  25           HB3      GLN  25   0.014  -9.228   3.613
  179    HG2  GLN  25           HG2      GLN  25   0.716  -9.915   0.751
  180    HG3  GLN  25           HG3      GLN  25   1.546 -10.540   2.175
  181   HE21  GLN  25          HE21      GLN  25   0.496 -12.000   3.504
  182   HE22  GLN  25          HE22      GLN  25  -0.916 -12.862   2.994
  183    H    MET  26           H        MET  26  -0.666  -5.769   2.498
  184    HA   MET  26           HA       MET  26  -2.120  -5.748   5.010
  185    HB2  MET  26           HB2      MET  26  -0.012  -4.654   5.124
  186    HB3  MET  26           HB3      MET  26  -0.325  -3.756   3.649
  187    HG2  MET  26           HG2      MET  26  -2.080  -2.476   4.811
  188    HG3  MET  26           HG3      MET  26  -1.717  -3.356   6.296
  189    HE1  MET  26           HE1      MET  26  -0.159  -1.061   3.506
  190    HE2  MET  26           HE2      MET  26   1.126  -2.247   3.743
  191    HE3  MET  26           HE3      MET  26   1.365  -0.578   4.250
  192    H    CYS  27           H        CYS  27  -2.196  -3.933   1.922
  193    HA   CYS  27           HA       CYS  27  -4.400  -2.342   2.862
  194    HB2  CYS  27           HB2      CYS  27  -3.263  -2.484   0.052
  195    HB3  CYS  27           HB3      CYS  27  -4.278  -1.199   0.734
  196    H    SER  28           H        SER  28  -4.164  -5.261   0.928
  197    HA   SER  28           HA       SER  28  -6.636  -4.996  -0.376
  198    HB2  SER  28           HB2      SER  28  -4.998  -7.428   0.241
  199    HB3  SER  28           HB3      SER  28  -6.562  -7.528  -0.582
  200    HG   SER  28           HG       SER  28  -4.570  -5.739  -1.482
  201    HA   PRO  29           HA       PRO  29  -8.604  -7.556   3.387
  202    HB2  PRO  29           HB2      PRO  29  -6.770  -6.297   5.390
  203    HB3  PRO  29           HB3      PRO  29  -7.614  -7.859   5.466
  204    HG2  PRO  29           HG2      PRO  29  -5.037  -7.818   4.878
  205    HG3  PRO  29           HG3      PRO  29  -6.137  -8.880   3.961
  206    HD2  PRO  29           HD2      PRO  29  -4.906  -6.263   3.150
  207    HD3  PRO  29           HD3      PRO  29  -5.219  -7.718   2.174
  208    H    LEU  30           H        LEU  30  -7.057  -4.416   3.847
  209    HA   LEU  30           HA       LEU  30  -9.075  -3.026   5.153
  210    HB2  LEU  30           HB2      LEU  30  -6.978  -1.950   4.978
  211    HB3  LEU  30           HB3      LEU  30  -6.914  -2.204   3.223
  212    HG   LEU  30           HG       LEU  30  -8.746  -0.554   2.949
  213   HD11  LEU  30          HD11      LEU  30  -9.768  -0.739   5.151
  214   HD12  LEU  30          HD12      LEU  30  -9.330   0.929   4.787
  215   HD13  LEU  30          HD13      LEU  30  -8.335  -0.019   5.890
  216   HD21  LEU  30          HD21      LEU  30  -6.266   0.418   4.370
  217   HD22  LEU  30          HD22      LEU  30  -7.356   1.431   3.427
  218   HD23  LEU  30          HD23      LEU  30  -6.449   0.140   2.637
  219    H    GLU  31           H        GLU  31  -8.444  -3.215   1.682
  220    HA   GLU  31           HA       GLU  31 -10.769  -1.662   1.032
  221    HB2  GLU  31           HB2      GLU  31  -8.559  -1.684  -0.219
  222    HB3  GLU  31           HB3      GLU  31  -9.051  -3.252  -0.877
  223    HG2  GLU  31           HG2      GLU  31 -10.713  -0.754  -1.222
  224    HG3  GLU  31           HG3      GLU  31  -9.438  -1.226  -2.353
  225    H    ARG  32           H        ARG  32  -9.820  -5.035   0.428
  226    HA   ARG  32           HA       ARG  32 -12.619  -5.635  -0.242
  227    HB2  ARG  32           HB2      ARG  32 -10.060  -7.178  -0.761
  228    HB3  ARG  32           HB3      ARG  32 -11.654  -7.899  -0.974
  229    HG2  ARG  32           HG2      ARG  32 -10.631  -5.453  -2.456
  230    HG3  ARG  32           HG3      ARG  32 -10.640  -7.091  -3.102
  231    HD2  ARG  32           HD2      ARG  32 -12.516  -5.978  -4.013
  232    HD3  ARG  32           HD3      ARG  32 -13.154  -7.077  -2.799
  233    HE   ARG  32           HE       ARG  32 -12.668  -4.302  -1.998
  234   HH11  ARG  32          HH11      ARG  32 -14.978  -6.754  -2.969
  235   HH12  ARG  32          HH12      ARG  32 -16.348  -5.876  -2.368
  236   HH21  ARG  32          HH21      ARG  32 -14.462  -3.154  -1.205
  237   HH22  ARG  32          HH22      ARG  32 -16.057  -3.827  -1.354
  238    H    SER  33           H        SER  33 -13.255  -5.491   1.949
  239    HA   SER  33           HA       SER  33 -12.270  -7.361   3.893
  240    HB2  SER  33           HB2      SER  33 -14.954  -5.972   4.028
  241    HB3  SER  33           HB3      SER  33 -13.890  -6.441   5.356
  242    HG   SER  33           HG       SER  33 -12.356  -4.877   4.339
  Start of MODEL    6
    1    HA   ALA   1           HA       ALA   1 -15.354   1.820   2.231
    2    HB1  ALA   1           HB1      ALA   1 -17.171   2.284  -0.132
    3    HB2  ALA   1           HB2      ALA   1 -16.890   0.734   0.662
    4    HB3  ALA   1           HB3      ALA   1 -15.571   1.545  -0.181
    5    H    SER   2           H        SER   2 -13.721   2.922   0.928
    6    HA   SER   2           HA       SER   2 -14.163   5.688   0.232
    7    HB2  SER   2           HB2      SER   2 -12.403   4.994   2.610
    8    HB3  SER   2           HB3      SER   2 -12.442   6.573   1.830
    9    HG   SER   2           HG       SER   2 -14.908   5.560   2.581
   10    HA   PRO   3           HA       PRO   3 -11.154   3.386  -2.472
   11    HB2  PRO   3           HB2      PRO   3 -11.835   5.885  -3.979
   12    HB3  PRO   3           HB3      PRO   3 -11.589   4.232  -4.593
   13    HG2  PRO   3           HG2      PRO   3 -14.039   5.128  -4.318
   14    HG3  PRO   3           HG3      PRO   3 -13.642   3.492  -3.747
   15    HD2  PRO   3           HD2      PRO   3 -14.054   5.999  -2.126
   16    HD3  PRO   3           HD3      PRO   3 -14.539   4.310  -1.771
   17    H    GLN   4           H        GLN   4 -11.168   6.841  -1.645
   18    HA   GLN   4           HA       GLN   4  -8.536   7.430  -2.342
   19    HB2  GLN   4           HB2      GLN   4  -8.669   9.346  -0.861
   20    HB3  GLN   4           HB3      GLN   4 -10.173   9.161  -1.747
   21    HG2  GLN   4           HG2      GLN   4 -11.342   8.427   0.164
   22    HG3  GLN   4           HG3      GLN   4  -9.847   8.079   1.037
   23   HE21  GLN   4          HE21      GLN   4 -10.251  10.992  -0.830
   24   HE22  GLN   4          HE22      GLN   4 -10.345  12.075   0.518
   25    H    GLN   5           H        GLN   5  -9.745   5.662   0.362
   26    HA   GLN   5           HA       GLN   5  -7.369   5.915   1.950
   27    HB2  GLN   5           HB2      GLN   5  -9.678   3.974   2.140
   28    HB3  GLN   5           HB3      GLN   5  -8.357   4.052   3.295
   29    HG2  GLN   5           HG2      GLN   5 -10.230   6.338   2.698
   30    HG3  GLN   5           HG3      GLN   5 -10.410   5.222   4.049
   31   HE21  GLN   5          HE21      GLN   5  -7.541   5.045   4.535
   32   HE22  GLN   5          HE22      GLN   5  -7.088   6.548   5.263
   33    H    ALA   6           H        ALA   6  -8.752   3.502  -0.193
   34    HA   ALA   6           HA       ALA   6  -6.701   1.586   0.056
   35    HB1  ALA   6           HB1      ALA   6  -7.582   0.639  -2.025
   36    HB2  ALA   6           HB2      ALA   6  -8.566   2.077  -2.267
   37    HB3  ALA   6           HB3      ALA   6  -8.877   1.018  -0.892
   38    H    LYS   7           H        LYS   7  -7.223   4.233  -2.249
   39    HA   LYS   7           HA       LYS   7  -4.942   3.729  -3.818
   40    HB2  LYS   7           HB2      LYS   7  -6.787   5.248  -4.511
   41    HB3  LYS   7           HB3      LYS   7  -6.279   6.395  -3.282
   42    HG2  LYS   7           HG2      LYS   7  -5.472   7.104  -5.434
   43    HG3  LYS   7           HG3      LYS   7  -4.097   6.623  -4.408
   44    HD2  LYS   7           HD2      LYS   7  -4.057   4.420  -5.533
   45    HD3  LYS   7           HD3      LYS   7  -5.394   4.924  -6.570
   46    HE2  LYS   7           HE2      LYS   7  -3.289   5.158  -7.773
   47    HE3  LYS   7           HE3      LYS   7  -3.974   6.750  -7.455
   48    HZ1  LYS   7           HZ1      LYS   7  -2.439   7.039  -5.628
   49    HZ2  LYS   7           HZ2      LYS   7  -1.580   6.652  -7.033
   50    HZ3  LYS   7           HZ3      LYS   7  -1.827   5.475  -5.847
   51    H    TYR   8           H        TYR   8  -5.431   5.549  -0.856
   52    HA   TYR   8           HA       TYR   8  -2.891   6.773  -0.749
   53    HB2  TYR   8           HB2      TYR   8  -4.872   7.464   0.616
   54    HB3  TYR   8           HB3      TYR   8  -4.663   6.000   1.576
   55    HD1  TYR   8           HD1      TYR   8  -3.112   9.223   0.671
   56    HD2  TYR   8           HD2      TYR   8  -3.045   5.881   3.302
   57    HE1  TYR   8           HE1      TYR   8  -1.544  10.416   2.140
   58    HE2  TYR   8           HE2      TYR   8  -1.474   7.060   4.774
   59    HH   TYR   8           HH       TYR   8  -0.845  10.376   4.502
   60    H    CYS   9           H        CYS   9  -4.135   3.725   0.543
   61    HA   CYS   9           HA       CYS   9  -1.836   3.037   2.027
   62    HB2  CYS   9           HB2      CYS   9  -4.100   1.980   2.279
   63    HB3  CYS   9           HB3      CYS   9  -3.813   1.101   0.771
   64    H    TYR  10           H        TYR  10  -2.865   2.045  -1.241
   65    HA   TYR  10           HA       TYR  10  -0.516   0.536  -1.761
   66    HB2  TYR  10           HB2      TYR  10  -2.619   1.715  -3.596
   67    HB3  TYR  10           HB3      TYR  10  -1.253   0.766  -4.189
   68    HD1  TYR  10           HD1      TYR  10  -4.538   0.659  -2.699
   69    HD2  TYR  10           HD2      TYR  10  -1.027  -1.615  -3.462
   70    HE1  TYR  10           HE1      TYR  10  -5.804  -1.407  -2.343
   71    HE2  TYR  10           HE2      TYR  10  -2.286  -3.688  -3.109
   72    HH   TYR  10           HH       TYR  10  -5.686  -3.777  -2.981
   73    H    GLU  11           H        GLU  11  -1.334   3.913  -2.154
   74    HA   GLU  11           HA       GLU  11   0.831   4.512  -3.895
   75    HB2  GLU  11           HB2      GLU  11  -1.289   5.881  -3.612
   76    HB3  GLU  11           HB3      GLU  11  -0.620   6.454  -2.072
   77    HG2  GLU  11           HG2      GLU  11   1.241   7.477  -3.238
   78    HG3  GLU  11           HG3      GLU  11   0.632   6.850  -4.789
   79    H    GLN  12           H        GLN  12   0.353   4.861  -0.365
   80    HA   GLN  12           HA       GLN  12   2.959   6.038  -0.086
   81    HB2  GLN  12           HB2      GLN  12   0.891   5.227   1.958
   82    HB3  GLN  12           HB3      GLN  12   2.401   6.030   2.353
   83    HG2  GLN  12           HG2      GLN  12   0.595   7.254   0.341
   84    HG3  GLN  12           HG3      GLN  12   0.195   7.377   2.047
   85   HE21  GLN  12          HE21      GLN  12   3.482   7.293   0.881
   86   HE22  GLN  12          HE22      GLN  12   3.865   8.933   1.275
   87    H    CYS  13           H        CYS  13   1.684   2.817   0.080
   88    HA   CYS  13           HA       CYS  13   3.415   1.730   2.000
   89    HB2  CYS  13           HB2      CYS  13   2.885  -0.462   1.029
   90    HB3  CYS  13           HB3      CYS  13   1.424   0.527   1.131
   91    H    ASN  14           H        ASN  14   3.790   1.620  -1.568
   92    HA   ASN  14           HA       ASN  14   6.480   0.704  -1.337
   93    HB2  ASN  14           HB2      ASN  14   6.606   1.216  -3.817
   94    HB3  ASN  14           HB3      ASN  14   5.390   0.054  -3.320
   95   HD21  ASN  14          HD21      ASN  14   5.168   3.609  -3.152
   96   HD22  ASN  14          HD22      ASN  14   3.839   3.723  -4.257
   97    H    VAL  15           H        VAL  15   5.056   3.863  -1.388
   98    HA   VAL  15           HA       VAL  15   7.396   5.306  -2.080
   99    HB   VAL  15           HB       VAL  15   4.912   6.148  -0.588
  100   HG11  VAL  15          HG11      VAL  15   5.696   8.463  -0.786
  101   HG12  VAL  15          HG12      VAL  15   7.225   7.891  -1.449
  102   HG13  VAL  15          HG13      VAL  15   6.788   7.505   0.214
  103   HG21  VAL  15          HG21      VAL  15   5.949   6.854  -3.337
  104   HG22  VAL  15          HG22      VAL  15   4.420   7.378  -2.626
  105   HG23  VAL  15          HG23      VAL  15   4.683   5.675  -2.995
  106    H    ASN  16           H        ASN  16   6.052   4.191   1.013
  107    HA   ASN  16           HA       ASN  16   8.073   5.432   2.608
  108    HB2  ASN  16           HB2      ASN  16   6.213   3.091   3.126
  109    HB3  ASN  16           HB3      ASN  16   7.434   3.600   4.292
  110   HD21  ASN  16          HD21      ASN  16   5.767   5.914   2.299
  111   HD22  ASN  16          HD22      ASN  16   4.800   6.592   3.566
  112    H    LYS  17           H        LYS  17   7.660   1.925   2.349
  113    HA   LYS  17           HA       LYS  17   9.692   1.368   0.592
  114    HB2  LYS  17           HB2      LYS  17  11.214   2.287   2.335
  115    HB3  LYS  17           HB3      LYS  17  10.651   1.022   3.437
  116    HG2  LYS  17           HG2      LYS  17  11.548  -0.699   1.986
  117    HG3  LYS  17           HG3      LYS  17  12.036   0.520   0.802
  118    HD2  LYS  17           HD2      LYS  17  13.594   1.504   2.360
  119    HD3  LYS  17           HD3      LYS  17  13.062   0.413   3.658
  120    HE2  LYS  17           HE2      LYS  17  13.877  -1.504   2.359
  121    HE3  LYS  17           HE3      LYS  17  14.374  -0.421   1.059
  122    HZ1  LYS  17           HZ1      LYS  17  15.895   0.652   2.637
  123    HZ2  LYS  17           HZ2      LYS  17  16.259  -0.981   2.405
  124    HZ3  LYS  17           HZ3      LYS  17  15.472  -0.482   3.816
  125    H    VAL  18           H        VAL  18   7.869  -0.098   0.092
  126    HA   VAL  18           HA       VAL  18   8.328  -2.633   1.454
  127    HB   VAL  18           HB       VAL  18   6.180  -3.155   2.090
  128   HG11  VAL  18          HG11      VAL  18   5.111  -1.326   3.265
  129   HG12  VAL  18          HG12      VAL  18   6.053  -0.153   2.343
  130   HG13  VAL  18          HG13      VAL  18   6.864  -1.256   3.457
  131   HG21  VAL  18          HG21      VAL  18   5.164  -2.894  -0.077
  132   HG22  VAL  18          HG22      VAL  18   5.089  -1.140   0.132
  133   HG23  VAL  18          HG23      VAL  18   4.124  -2.198   1.169
  134    HA   PRO  19           HA       PRO  19   7.998  -4.155  -2.769
  135    HB2  PRO  19           HB2      PRO  19   7.120  -6.674  -1.497
  136    HB3  PRO  19           HB3      PRO  19   8.511  -6.378  -2.555
  137    HG2  PRO  19           HG2      PRO  19   8.834  -6.849   0.063
  138    HG3  PRO  19           HG3      PRO  19   9.873  -5.718  -0.825
  139    HD2  PRO  19           HD2      PRO  19   7.587  -5.118   1.022
  140    HD3  PRO  19           HD3      PRO  19   9.148  -4.286   0.828
  141    H    PHE  20           H        PHE  20   6.303  -4.634  -4.226
  142    HA   PHE  20           HA       PHE  20   3.765  -3.681  -3.532
  143    HB2  PHE  20           HB2      PHE  20   4.706  -3.798  -5.866
  144    HB3  PHE  20           HB3      PHE  20   4.343  -5.519  -5.861
  145    HD1  PHE  20           HD1      PHE  20   2.032  -6.309  -5.897
  146    HD2  PHE  20           HD2      PHE  20   2.970  -2.161  -6.037
  147    HE1  PHE  20           HE1      PHE  20  -0.260  -5.820  -6.649
  148    HE2  PHE  20           HE2      PHE  20   0.681  -1.665  -6.786
  149    HZ   PHE  20           HZ       PHE  20  -0.938  -3.494  -7.091
  150    H    ASP  21           H        ASP  21   4.973  -6.998  -3.740
  151    HA   ASP  21           HA       ASP  21   2.524  -8.311  -3.364
  152    HB2  ASP  21           HB2      ASP  21   3.868 -10.245  -2.624
  153    HB3  ASP  21           HB3      ASP  21   4.499  -9.528  -4.104
  154    H    GLN  22           H        GLN  22   4.803  -6.945  -1.057
  155    HA   GLN  22           HA       GLN  22   3.412  -7.845   1.264
  156    HB2  GLN  22           HB2      GLN  22   5.740  -7.230   1.470
  157    HB3  GLN  22           HB3      GLN  22   5.416  -5.612   0.856
  158    HG2  GLN  22           HG2      GLN  22   4.020  -5.166   2.831
  159    HG3  GLN  22           HG3      GLN  22   4.436  -6.766   3.455
  160   HE21  GLN  22          HE21      GLN  22   7.177  -6.656   2.516
  161   HE22  GLN  22          HE22      GLN  22   8.006  -5.557   3.565
  162    H    CYS  23           H        CYS  23   3.334  -4.919  -0.714
  163    HA   CYS  23           HA       CYS  23   1.611  -3.390   0.902
  164    HB2  CYS  23           HB2      CYS  23   2.830  -2.559  -1.169
  165    HB3  CYS  23           HB3      CYS  23   1.605  -3.390  -2.132
  166    H    TYR  24           H        TYR  24   0.966  -5.838  -1.544
  167    HA   TYR  24           HA       TYR  24  -1.852  -5.698  -1.471
  168    HB2  TYR  24           HB2      TYR  24  -0.681  -6.810  -3.302
  169    HB3  TYR  24           HB3      TYR  24  -0.009  -8.002  -2.178
  170    HD1  TYR  24           HD1      TYR  24  -3.281  -6.725  -3.441
  171    HD2  TYR  24           HD2      TYR  24  -1.097 -10.016  -1.869
  172    HE1  TYR  24           HE1      TYR  24  -5.211  -8.185  -3.829
  173    HE2  TYR  24           HE2      TYR  24  -3.019 -11.488  -2.261
  174    HH   TYR  24           HH       TYR  24  -5.669 -10.589  -4.175
  175    H    GLN  25           H        GLN  25   0.369  -6.904   0.834
  176    HA   GLN  25           HA       GLN  25  -1.470  -8.854   1.939
  177    HB2  GLN  25           HB2      GLN  25   1.172  -7.773   2.979
  178    HB3  GLN  25           HB3      GLN  25   0.227  -9.000   3.809
  179    HG2  GLN  25           HG2      GLN  25   0.515 -10.517   1.887
  180    HG3  GLN  25           HG3      GLN  25   1.464  -9.287   1.057
  181   HE21  GLN  25          HE21      GLN  25   1.641  -9.877   4.502
  182   HE22  GLN  25          HE22      GLN  25   3.248 -10.519   4.495
  183    H    MET  26           H        MET  26  -0.355  -5.597   2.644
  184    HA   MET  26           HA       MET  26  -1.887  -5.476   5.097
  185    HB2  MET  26           HB2      MET  26   0.245  -4.445   5.202
  186    HB3  MET  26           HB3      MET  26  -0.010  -3.603   3.684
  187    HG2  MET  26           HG2      MET  26  -1.726  -2.203   4.772
  188    HG3  MET  26           HG3      MET  26  -1.382  -3.014   6.301
  189    HE1  MET  26           HE1      MET  26   0.243  -0.934   3.374
  190    HE2  MET  26           HE2      MET  26   1.472  -2.167   3.661
  191    HE3  MET  26           HE3      MET  26   1.795  -0.487   4.078
  192    H    CYS  27           H        CYS  27  -1.998  -3.996   1.866
  193    HA   CYS  27           HA       CYS  27  -4.162  -2.249   2.655
  194    HB2  CYS  27           HB2      CYS  27  -2.991  -2.705  -0.109
  195    HB3  CYS  27           HB3      CYS  27  -4.057  -1.376   0.386
  196    H    SER  28           H        SER  28  -4.009  -5.444   1.403
  197    HA   SER  28           HA       SER  28  -6.242  -5.374  -0.277
  198    HB2  SER  28           HB2      SER  28  -6.341  -7.869   0.052
  199    HB3  SER  28           HB3      SER  28  -4.796  -7.227  -0.517
  200    HG   SER  28           HG       SER  28  -3.901  -8.031   1.179
  201    HA   PRO  29           HA       PRO  29  -8.965  -6.811   3.557
  202    HB2  PRO  29           HB2      PRO  29  -7.511  -5.260   5.642
  203    HB3  PRO  29           HB3      PRO  29  -8.364  -6.811   5.782
  204    HG2  PRO  29           HG2      PRO  29  -5.714  -6.777   5.745
  205    HG3  PRO  29           HG3      PRO  29  -6.606  -8.017   4.824
  206    HD2  PRO  29           HD2      PRO  29  -5.273  -5.506   3.829
  207    HD3  PRO  29           HD3      PRO  29  -5.297  -7.136   3.109
  208    H    LEU  30           H        LEU  30  -7.387  -3.781   3.037
  209    HA   LEU  30           HA       LEU  30  -9.573  -2.138   3.963
  210    HB2  LEU  30           HB2      LEU  30  -7.073  -1.530   3.945
  211    HB3  LEU  30           HB3      LEU  30  -7.255  -1.323   2.194
  212    HG   LEU  30           HG       LEU  30  -8.665   0.304   4.341
  213   HD11  LEU  30          HD11      LEU  30  -6.397   0.940   2.461
  214   HD12  LEU  30          HD12      LEU  30  -6.313   0.825   4.221
  215   HD13  LEU  30          HD13      LEU  30  -7.235   2.125   3.462
  216   HD21  LEU  30          HD21      LEU  30  -8.662   0.688   1.341
  217   HD22  LEU  30          HD22      LEU  30  -9.461   1.714   2.534
  218   HD23  LEU  30          HD23      LEU  30 -10.014   0.056   2.279
  219    H    GLU  31           H        GLU  31  -8.046  -2.832   0.851
  220    HA   GLU  31           HA       GLU  31 -10.005  -1.478  -0.687
  221    HB2  GLU  31           HB2      GLU  31  -7.663  -1.842  -1.434
  222    HB3  GLU  31           HB3      GLU  31  -8.000  -3.572  -1.572
  223    HG2  GLU  31           HG2      GLU  31  -9.607  -3.153  -3.330
  224    HG3  GLU  31           HG3      GLU  31  -9.385  -1.408  -3.159
  225    H    ARG  32           H        ARG  32  -9.614  -4.821   0.286
  226    HA   ARG  32           HA       ARG  32 -12.358  -5.329  -0.621
  227    HB2  ARG  32           HB2      ARG  32 -10.003  -7.211  -1.017
  228    HB3  ARG  32           HB3      ARG  32 -11.688  -7.661  -1.277
  229    HG2  ARG  32           HG2      ARG  32 -10.297  -5.450  -2.814
  230    HG3  ARG  32           HG3      ARG  32 -10.354  -7.123  -3.366
  231    HD2  ARG  32           HD2      ARG  32 -12.632  -5.172  -3.047
  232    HD3  ARG  32           HD3      ARG  32 -12.096  -6.017  -4.492
  233    HE   ARG  32           HE       ARG  32 -12.813  -8.053  -2.892
  234   HH11  ARG  32          HH11      ARG  32 -14.459  -5.105  -3.817
  235   HH12  ARG  32          HH12      ARG  32 -16.041  -5.807  -3.714
  236   HH21  ARG  32          HH21      ARG  32 -14.890  -8.978  -2.748
  237   HH22  ARG  32          HH22      ARG  32 -16.289  -8.013  -3.108
  238    H    SER  33           H        SER  33 -13.086  -5.114   1.459
  239    HA   SER  33           HA       SER  33 -11.839  -6.550   3.634
  240    HB2  SER  33           HB2      SER  33 -14.517  -5.132   3.700
  241    HB3  SER  33           HB3      SER  33 -13.433  -5.468   5.052
  242    HG   SER  33           HG       SER  33 -11.878  -4.105   3.765
  Start of MODEL    7
    1    HA   ALA   1           HA       ALA   1 -16.327   0.992  -1.115
    2    HB1  ALA   1           HB1      ALA   1 -17.670   2.457  -2.543
    3    HB2  ALA   1           HB2      ALA   1 -15.946   2.771  -2.738
    4    HB3  ALA   1           HB3      ALA   1 -16.939   3.869  -1.781
    5    H    SER   2           H        SER   2 -14.074   1.958  -1.626
    6    HA   SER   2           HA       SER   2 -13.007   3.790   0.318
    7    HB2  SER   2           HB2      SER   2 -11.420   2.035   1.296
    8    HB3  SER   2           HB3      SER   2 -13.108   1.856   1.784
    9    HG   SER   2           HG       SER   2 -11.927   0.464  -0.394
   10    HA   PRO   3           HA       PRO   3 -10.662   2.843  -3.713
   11    HB2  PRO   3           HB2      PRO   3 -11.097   5.193  -5.028
   12    HB3  PRO   3           HB3      PRO   3 -12.155   3.773  -5.200
   13    HG2  PRO   3           HG2      PRO   3 -12.518   6.247  -3.567
   14    HG3  PRO   3           HG3      PRO   3 -13.718   5.317  -4.485
   15    HD2  PRO   3           HD2      PRO   3 -13.412   5.156  -1.745
   16    HD3  PRO   3           HD3      PRO   3 -14.040   3.806  -2.732
   17    H    GLN   4           H        GLN   4 -10.899   6.109  -2.290
   18    HA   GLN   4           HA       GLN   4  -8.245   6.814  -2.989
   19    HB2  GLN   4           HB2      GLN   4 -10.195   8.034  -1.039
   20    HB3  GLN   4           HB3      GLN   4  -8.601   8.712  -1.348
   21    HG2  GLN   4           HG2      GLN   4 -10.483   8.207  -3.626
   22    HG3  GLN   4           HG3      GLN   4 -10.652   9.653  -2.634
   23   HE21  GLN   4          HE21      GLN   4  -7.492   8.314  -3.167
   24   HE22  GLN   4          HE22      GLN   4  -6.939   9.547  -4.245
   25    H    GLN   5           H        GLN   5  -9.706   5.549  -0.064
   26    HA   GLN   5           HA       GLN   5  -7.455   5.752   1.610
   27    HB2  GLN   5           HB2      GLN   5  -9.760   3.811   1.625
   28    HB3  GLN   5           HB3      GLN   5  -8.520   3.821   2.863
   29    HG2  GLN   5           HG2      GLN   5  -9.162   6.014   3.585
   30    HG3  GLN   5           HG3      GLN   5 -10.265   6.196   2.224
   31   HE21  GLN   5          HE21      GLN   5  -9.922   3.211   4.004
   32   HE22  GLN   5          HE22      GLN   5 -11.488   3.247   4.739
   33    H    ALA   6           H        ALA   6  -8.543   3.171  -0.540
   34    HA   ALA   6           HA       ALA   6  -6.424   1.391   0.055
   35    HB1  ALA   6           HB1      ALA   6  -7.080   0.198  -1.967
   36    HB2  ALA   6           HB2      ALA   6  -8.094   1.558  -2.452
   37    HB3  ALA   6           HB3      ALA   6  -8.494   0.632  -1.003
   38    H    LYS   7           H        LYS   7  -6.863   3.888  -2.404
   39    HA   LYS   7           HA       LYS   7  -4.494   3.331  -3.839
   40    HB2  LYS   7           HB2      LYS   7  -6.443   4.735  -4.635
   41    HB3  LYS   7           HB3      LYS   7  -5.853   6.023  -3.597
   42    HG2  LYS   7           HG2      LYS   7  -5.121   6.439  -5.835
   43    HG3  LYS   7           HG3      LYS   7  -3.708   5.997  -4.840
   44    HD2  LYS   7           HD2      LYS   7  -3.772   3.718  -5.723
   45    HD3  LYS   7           HD3      LYS   7  -5.235   4.084  -6.645
   46    HE2  LYS   7           HE2      LYS   7  -2.495   5.293  -7.050
   47    HE3  LYS   7           HE3      LYS   7  -3.297   4.145  -8.118
   48    HZ1  LYS   7           HZ1      LYS   7  -4.172   6.923  -7.547
   49    HZ2  LYS   7           HZ2      LYS   7  -5.027   5.821  -8.497
   50    HZ3  LYS   7           HZ3      LYS   7  -3.502   6.354  -8.990
   51    H    TYR   8           H        TYR   8  -5.211   5.432  -1.101
   52    HA   TYR   8           HA       TYR   8  -2.680   6.650  -0.862
   53    HB2  TYR   8           HB2      TYR   8  -4.697   7.481   0.299
   54    HB3  TYR   8           HB3      TYR   8  -4.727   6.019   1.283
   55    HD1  TYR   8           HD1      TYR   8  -3.467   5.858   3.256
   56    HD2  TYR   8           HD2      TYR   8  -2.748   9.061   0.555
   57    HE1  TYR   8           HE1      TYR   8  -2.053   6.948   4.942
   58    HE2  TYR   8           HE2      TYR   8  -1.331  10.166   2.235
   59    HH   TYR   8           HH       TYR   8  -0.942  10.193   4.584
   60    H    CYS   9           H        CYS   9  -4.046   3.694   0.514
   61    HA   CYS   9           HA       CYS   9  -1.912   2.990   2.189
   62    HB2  CYS   9           HB2      CYS   9  -4.223   1.926   2.105
   63    HB3  CYS   9           HB3      CYS   9  -3.672   1.024   0.687
   64    H    TYR  10           H        TYR  10  -2.553   2.165  -1.200
   65    HA   TYR  10           HA       TYR  10  -0.191   0.603  -1.501
   66    HB2  TYR  10           HB2      TYR  10  -2.213   1.713  -3.441
   67    HB3  TYR  10           HB3      TYR  10  -0.738   0.917  -4.006
   68    HD1  TYR  10           HD1      TYR  10  -4.067   0.430  -2.680
   69    HD2  TYR  10           HD2      TYR  10  -0.301  -1.439  -3.324
   70    HE1  TYR  10           HE1      TYR  10  -5.116  -1.771  -2.424
   71    HE2  TYR  10           HE2      TYR  10  -1.341  -3.635  -3.070
   72    HH   TYR  10           HH       TYR  10  -4.683  -4.113  -3.122
   73    H    GLU  11           H        GLU  11  -0.979   3.992  -2.219
   74    HA   GLU  11           HA       GLU  11   1.378   4.516  -3.673
   75    HB2  GLU  11           HB2      GLU  11  -0.624   6.014  -3.690
   76    HB3  GLU  11           HB3      GLU  11  -0.222   6.507  -2.029
   77    HG2  GLU  11           HG2      GLU  11   2.009   7.267  -2.913
   78    HG3  GLU  11           HG3      GLU  11   1.364   6.991  -4.548
   79    H    GLN  12           H        GLN  12   0.603   4.843  -0.210
   80    HA   GLN  12           HA       GLN  12   3.068   6.076   0.430
   81    HB2  GLN  12           HB2      GLN  12   0.982   4.698   2.116
   82    HB3  GLN  12           HB3      GLN  12   2.437   5.401   2.807
   83    HG2  GLN  12           HG2      GLN  12   0.681   7.028   1.036
   84    HG3  GLN  12           HG3      GLN  12   0.258   6.773   2.724
   85   HE21  GLN  12          HE21      GLN  12   3.584   6.918   1.750
   86   HE22  GLN  12          HE22      GLN  12   3.923   8.469   2.436
   87    H    CYS  13           H        CYS  13   2.157   2.804  -0.109
   88    HA   CYS  13           HA       CYS  13   4.112   1.513   1.398
   89    HB2  CYS  13           HB2      CYS  13   2.701   0.735  -1.150
   90    HB3  CYS  13           HB3      CYS  13   3.960  -0.286  -0.448
   91    H    ASN  14           H        ASN  14   4.315   2.613  -2.022
   92    HA   ASN  14           HA       ASN  14   7.093   1.865  -2.118
   93    HB2  ASN  14           HB2      ASN  14   7.084   2.930  -4.366
   94    HB3  ASN  14           HB3      ASN  14   5.814   1.733  -4.162
   95   HD21  ASN  14          HD21      ASN  14   6.466   5.207  -4.362
   96   HD22  ASN  14          HD22      ASN  14   4.836   5.654  -4.744
   97    H    VAL  15           H        VAL  15   5.297   4.765  -1.415
   98    HA   VAL  15           HA       VAL  15   7.391   6.624  -1.627
   99    HB   VAL  15           HB       VAL  15   4.985   6.647   0.208
  100   HG11  VAL  15          HG11      VAL  15   6.925   8.881  -0.409
  101   HG12  VAL  15          HG12      VAL  15   6.754   8.055   1.139
  102   HG13  VAL  15          HG13      VAL  15   5.434   9.045   0.516
  103   HG21  VAL  15          HG21      VAL  15   4.091   8.281  -1.398
  104   HG22  VAL  15          HG22      VAL  15   4.426   6.734  -2.175
  105   HG23  VAL  15          HG23      VAL  15   5.533   8.088  -2.393
  106    H    ASN  16           H        ASN  16   6.314   4.597   1.101
  107    HA   ASN  16           HA       ASN  16   8.432   5.629   2.781
  108    HB2  ASN  16           HB2      ASN  16   6.516   3.312   3.225
  109    HB3  ASN  16           HB3      ASN  16   7.608   3.986   4.442
  110   HD21  ASN  16          HD21      ASN  16   4.690   3.816   4.544
  111   HD22  ASN  16          HD22      ASN  16   4.128   5.445   4.702
  112    H    LYS  17           H        LYS  17   7.682   2.184   2.297
  113    HA   LYS  17           HA       LYS  17   9.639   1.503   0.512
  114    HB2  LYS  17           HB2      LYS  17  11.257   2.293   2.228
  115    HB3  LYS  17           HB3      LYS  17  10.652   1.035   3.319
  116    HG2  LYS  17           HG2      LYS  17  11.416  -0.700   1.831
  117    HG3  LYS  17           HG3      LYS  17  11.886   0.495   0.616
  118    HD2  LYS  17           HD2      LYS  17  13.615   1.370   2.017
  119    HD3  LYS  17           HD3      LYS  17  13.078   0.399   3.406
  120    HE2  LYS  17           HE2      LYS  17  14.192  -0.665   0.798
  121    HE3  LYS  17           HE3      LYS  17  15.058  -0.576   2.331
  122    HZ1  LYS  17           HZ1      LYS  17  13.416  -2.087   3.286
  123    HZ2  LYS  17           HZ2      LYS  17  14.198  -2.787   1.960
  124    HZ3  LYS  17           HZ3      LYS  17  12.626  -2.195   1.793
  125    H    VAL  18           H        VAL  18   7.768   0.126  -0.007
  126    HA   VAL  18           HA       VAL  18   8.110  -2.470   1.171
  127    HB   VAL  18           HB       VAL  18   6.488  -2.394   2.721
  128   HG11  VAL  18          HG11      VAL  18   6.511   0.021   2.771
  129   HG12  VAL  18          HG12      VAL  18   4.856  -0.569   2.945
  130   HG13  VAL  18          HG13      VAL  18   5.407   0.086   1.402
  131   HG21  VAL  18          HG21      VAL  18   5.303  -3.629   0.962
  132   HG22  VAL  18          HG22      VAL  18   4.604  -2.122   0.376
  133   HG23  VAL  18          HG23      VAL  18   4.183  -2.721   1.982
  134    HA   PRO  19           HA       PRO  19   7.297  -3.575  -3.063
  135    HB2  PRO  19           HB2      PRO  19   6.732  -6.217  -1.838
  136    HB3  PRO  19           HB3      PRO  19   7.887  -5.794  -3.114
  137    HG2  PRO  19           HG2      PRO  19   8.735  -6.370  -0.657
  138    HG3  PRO  19           HG3      PRO  19   9.497  -5.089  -1.620
  139    HD2  PRO  19           HD2      PRO  19   7.561  -4.840   0.658
  140    HD3  PRO  19           HD3      PRO  19   8.984  -3.851   0.246
  141    H    PHE  20           H        PHE  20   5.559  -4.165  -4.376
  142    HA   PHE  20           HA       PHE  20   3.024  -3.385  -3.506
  143    HB2  PHE  20           HB2      PHE  20   3.799  -3.329  -5.873
  144    HB3  PHE  20           HB3      PHE  20   3.653  -5.081  -5.928
  145    HD1  PHE  20           HD1      PHE  20   1.822  -1.919  -5.761
  146    HD2  PHE  20           HD2      PHE  20   1.505  -6.152  -6.064
  147    HE1  PHE  20           HE1      PHE  20  -0.538  -1.691  -6.418
  148    HE2  PHE  20           HE2      PHE  20  -0.855  -5.932  -6.725
  149    HZ   PHE  20           HZ       PHE  20  -1.880  -3.700  -6.902
  150    H    ASP  21           H        ASP  21   4.407  -6.629  -3.856
  151    HA   ASP  21           HA       ASP  21   1.974  -8.018  -3.492
  152    HB2  ASP  21           HB2      ASP  21   3.357 -10.002  -3.044
  153    HB3  ASP  21           HB3      ASP  21   3.892  -9.143  -4.482
  154    H    GLN  22           H        GLN  22   4.500  -7.073  -1.173
  155    HA   GLN  22           HA       GLN  22   3.132  -8.084   1.100
  156    HB2  GLN  22           HB2      GLN  22   5.487  -7.678   1.262
  157    HB3  GLN  22           HB3      GLN  22   5.292  -5.990   0.809
  158    HG2  GLN  22           HG2      GLN  22   5.695  -6.131   3.157
  159    HG3  GLN  22           HG3      GLN  22   4.023  -5.618   2.894
  160   HE21  GLN  22          HE21      GLN  22   6.099  -8.175   4.001
  161   HE22  GLN  22          HE22      GLN  22   4.862  -9.101   4.784
  162    H    CYS  23           H        CYS  23   3.127  -4.977  -0.585
  163    HA   CYS  23           HA       CYS  23   1.546  -3.555   1.258
  164    HB2  CYS  23           HB2      CYS  23   2.720  -2.602  -0.816
  165    HB3  CYS  23           HB3      CYS  23   1.337  -3.196  -1.736
  166    H    TYR  24           H        TYR  24   0.650  -5.636  -1.465
  167    HA   TYR  24           HA       TYR  24  -2.122  -5.423  -1.259
  168    HB2  TYR  24           HB2      TYR  24  -0.920  -6.633  -3.107
  169    HB3  TYR  24           HB3      TYR  24  -0.576  -7.941  -1.963
  170    HD1  TYR  24           HD1      TYR  24  -3.218  -6.231  -3.866
  171    HD2  TYR  24           HD2      TYR  24  -2.290  -9.490  -1.302
  172    HE1  TYR  24           HE1      TYR  24  -5.387  -7.256  -4.391
  173    HE2  TYR  24           HE2      TYR  24  -4.450 -10.526  -1.821
  174    HH   TYR  24           HH       TYR  24  -6.427  -9.484  -4.380
  175    H    GLN  25           H        GLN  25   0.176  -7.223   0.674
  176    HA   GLN  25           HA       GLN  25  -1.711  -9.020   1.828
  177    HB2  GLN  25           HB2      GLN  25   1.020  -8.111   2.795
  178    HB3  GLN  25           HB3      GLN  25   0.075  -9.352   3.597
  179    HG2  GLN  25           HG2      GLN  25   0.210 -10.765   1.586
  180    HG3  GLN  25           HG3      GLN  25   1.143  -9.519   0.763
  181   HE21  GLN  25          HE21      GLN  25   2.916 -10.814   0.475
  182   HE22  GLN  25          HE22      GLN  25   3.954 -11.283   1.779
  183    H    MET  26           H        MET  26  -0.555  -5.823   2.649
  184    HA   MET  26           HA       MET  26  -1.980  -5.840   5.174
  185    HB2  MET  26           HB2      MET  26   0.159  -4.809   5.255
  186    HB3  MET  26           HB3      MET  26  -0.171  -3.867   3.812
  187    HG2  MET  26           HG2      MET  26  -1.866  -2.581   5.067
  188    HG3  MET  26           HG3      MET  26  -1.442  -3.489   6.518
  189    HE1  MET  26           HE1      MET  26   1.279  -2.397   3.835
  190    HE2  MET  26           HE2      MET  26   1.586  -0.742   4.351
  191    HE3  MET  26           HE3      MET  26   0.014  -1.179   3.683
  192    H    CYS  27           H        CYS  27  -2.180  -4.166   2.040
  193    HA   CYS  27           HA       CYS  27  -4.351  -2.506   2.969
  194    HB2  CYS  27           HB2      CYS  27  -3.298  -2.809   0.136
  195    HB3  CYS  27           HB3      CYS  27  -4.319  -1.500   0.764
  196    H    SER  28           H        SER  28  -4.205  -5.647   1.554
  197    HA   SER  28           HA       SER  28  -6.500  -5.580  -0.020
  198    HB2  SER  28           HB2      SER  28  -6.625  -8.097   0.411
  199    HB3  SER  28           HB3      SER  28  -5.153  -7.470  -0.342
  200    HG   SER  28           HG       SER  28  -4.037  -7.910   1.420
  201    HA   PRO  29           HA       PRO  29  -9.102  -7.045   3.916
  202    HB2  PRO  29           HB2      PRO  29  -7.540  -5.448   5.898
  203    HB3  PRO  29           HB3      PRO  29  -8.428  -6.968   6.129
  204    HG2  PRO  29           HG2      PRO  29  -5.790  -7.027   5.967
  205    HG3  PRO  29           HG3      PRO  29  -6.758  -8.255   5.108
  206    HD2  PRO  29           HD2      PRO  29  -5.378  -5.815   4.011
  207    HD3  PRO  29           HD3      PRO  29  -5.515  -7.449   3.314
  208    H    LEU  30           H        LEU  30  -7.505  -3.963   3.547
  209    HA   LEU  30           HA       LEU  30  -9.648  -2.315   4.458
  210    HB2  LEU  30           HB2      LEU  30  -7.152  -1.717   4.221
  211    HB3  LEU  30           HB3      LEU  30  -7.477  -1.554   2.487
  212    HG   LEU  30           HG       LEU  30  -8.677   0.139   4.709
  213   HD11  LEU  30          HD11      LEU  30  -6.627   0.739   2.576
  214   HD12  LEU  30          HD12      LEU  30  -6.336   0.628   4.311
  215   HD13  LEU  30          HD13      LEU  30  -7.335   1.930   3.667
  216   HD21  LEU  30          HD21      LEU  30  -8.983   0.429   1.712
  217   HD22  LEU  30          HD22      LEU  30  -9.646   1.502   2.947
  218   HD23  LEU  30          HD23      LEU  30 -10.235  -0.157   2.809
  219    H    GLU  31           H        GLU  31  -8.418  -3.220   1.277
  220    HA   GLU  31           HA       GLU  31 -10.411  -1.761  -0.147
  221    HB2  GLU  31           HB2      GLU  31  -8.037  -2.373  -0.917
  222    HB3  GLU  31           HB3      GLU  31  -8.697  -3.975  -1.276
  223    HG2  GLU  31           HG2      GLU  31  -9.741  -1.413  -2.495
  224    HG3  GLU  31           HG3      GLU  31  -8.510  -2.437  -3.240
  225    H    ARG  32           H        ARG  32  -9.927  -5.234   0.516
  226    HA   ARG  32           HA       ARG  32 -12.778  -5.635   0.062
  227    HB2  ARG  32           HB2      ARG  32 -11.442  -6.023  -2.120
  228    HB3  ARG  32           HB3      ARG  32 -10.765  -7.434  -1.301
  229    HG2  ARG  32           HG2      ARG  32 -12.560  -8.206  -2.679
  230    HG3  ARG  32           HG3      ARG  32 -13.099  -8.302  -1.001
  231    HD2  ARG  32           HD2      ARG  32 -14.643  -7.305  -2.889
  232    HD3  ARG  32           HD3      ARG  32 -14.656  -6.634  -1.263
  233    HE   ARG  32           HE       ARG  32 -12.764  -5.161  -2.549
  234   HH11  ARG  32          HH11      ARG  32 -16.098  -5.937  -3.289
  235   HH12  ARG  32          HH12      ARG  32 -16.387  -4.441  -4.115
  236   HH21  ARG  32          HH21      ARG  32 -13.130  -3.206  -3.623
  237   HH22  ARG  32          HH22      ARG  32 -14.702  -2.883  -4.304
  238    H    SER  33           H        SER  33 -13.592  -6.937   1.578
  239    HA   SER  33           HA       SER  33 -11.934  -9.027   2.754
  240    HB2  SER  33           HB2      SER  33 -11.592  -6.888   4.104
  241    HB3  SER  33           HB3      SER  33 -13.296  -6.994   4.544
  242    HG   SER  33           HG       SER  33 -12.894  -8.660   5.805
  Start of MODEL    8
    1    HA   ALA   1           HA       ALA   1 -17.085   3.253  -0.406
    2    HB1  ALA   1           HB1      ALA   1 -18.654   4.875   0.459
    3    HB2  ALA   1           HB2      ALA   1 -18.196   4.474   2.114
    4    HB3  ALA   1           HB3      ALA   1 -19.026   3.280   1.117
    5    H    SER   2           H        SER   2 -14.527   3.414  -0.022
    6    HA   SER   2           HA       SER   2 -13.930   6.210  -0.159
    7    HB2  SER   2           HB2      SER   2 -13.987   5.786   2.360
    8    HB3  SER   2           HB3      SER   2 -12.615   4.703   2.126
    9    HG   SER   2           HG       SER   2 -12.747   7.491   1.919
   10    HA   PRO   3           HA       PRO   3 -11.346   3.070  -2.565
   11    HB2  PRO   3           HB2      PRO   3 -11.798   5.241  -4.564
   12    HB3  PRO   3           HB3      PRO   3 -11.803   3.476  -4.790
   13    HG2  PRO   3           HG2      PRO   3 -14.090   4.791  -4.748
   14    HG3  PRO   3           HG3      PRO   3 -13.935   3.246  -3.885
   15    HD2  PRO   3           HD2      PRO   3 -13.910   6.041  -2.744
   16    HD3  PRO   3           HD3      PRO   3 -14.692   4.558  -2.115
   17    H    GLN   4           H        GLN   4 -11.197   6.527  -2.015
   18    HA   GLN   4           HA       GLN   4  -8.580   6.909  -3.016
   19    HB2  GLN   4           HB2      GLN   4 -10.192   8.748  -2.750
   20    HB3  GLN   4           HB3      GLN   4 -10.123   8.550  -1.003
   21    HG2  GLN   4           HG2      GLN   4  -8.699  10.340  -1.360
   22    HG3  GLN   4           HG3      GLN   4  -7.588   8.973  -1.295
   23   HE21  GLN   4          HE21      GLN   4  -8.416   8.098  -4.041
   24   HE22  GLN   4          HE22      GLN   4  -7.610   9.195  -5.108
   25    H    GLN   5           H        GLN   5  -9.857   6.145   0.189
   26    HA   GLN   5           HA       GLN   5  -7.393   6.455   1.543
   27    HB2  GLN   5           HB2      GLN   5  -8.414   5.585   3.442
   28    HB3  GLN   5           HB3      GLN   5  -9.772   6.255   2.556
   29    HG2  GLN   5           HG2      GLN   5 -10.333   4.020   1.729
   30    HG3  GLN   5           HG3      GLN   5  -8.967   3.356   2.621
   31   HE21  GLN   5          HE21      GLN   5 -11.004   5.924   3.847
   32   HE22  GLN   5          HE22      GLN   5 -11.749   4.994   5.105
   33    H    ALA   6           H        ALA   6  -8.852   3.837  -0.201
   34    HA   ALA   6           HA       ALA   6  -6.924   1.859   0.458
   35    HB1  ALA   6           HB1      ALA   6  -8.757   2.105  -1.922
   36    HB2  ALA   6           HB2      ALA   6  -9.029   1.151  -0.464
   37    HB3  ALA   6           HB3      ALA   6  -7.746   0.704  -1.589
   38    H    LYS   7           H        LYS   7  -7.232   4.163  -2.220
   39    HA   LYS   7           HA       LYS   7  -4.926   3.364  -3.615
   40    HB2  LYS   7           HB2      LYS   7  -6.575   4.812  -4.667
   41    HB3  LYS   7           HB3      LYS   7  -6.259   6.078  -3.488
   42    HG2  LYS   7           HG2      LYS   7  -5.193   6.567  -5.622
   43    HG3  LYS   7           HG3      LYS   7  -3.991   6.339  -4.326
   44    HD2  LYS   7           HD2      LYS   7  -3.651   4.001  -5.107
   45    HD3  LYS   7           HD3      LYS   7  -4.783   4.293  -6.432
   46    HE2  LYS   7           HE2      LYS   7  -2.147   5.705  -5.969
   47    HE3  LYS   7           HE3      LYS   7  -2.486   4.518  -7.229
   48    HZ1  LYS   7           HZ1      LYS   7  -4.091   6.050  -8.185
   49    HZ2  LYS   7           HZ2      LYS   7  -2.566   6.771  -8.082
   50    HZ3  LYS   7           HZ3      LYS   7  -3.770   7.186  -6.973
   51    H    TYR   8           H        TYR   8  -5.398   5.631  -0.957
   52    HA   TYR   8           HA       TYR   8  -2.803   6.702  -0.881
   53    HB2  TYR   8           HB2      TYR   8  -4.834   7.534   0.388
   54    HB3  TYR   8           HB3      TYR   8  -4.571   6.204   1.520
   55    HD1  TYR   8           HD1      TYR   8  -3.068   9.288   0.146
   56    HD2  TYR   8           HD2      TYR   8  -2.964   6.380   3.246
   57    HE1  TYR   8           HE1      TYR   8  -1.510  10.707   1.413
   58    HE2  TYR   8           HE2      TYR   8  -1.407   7.787   4.524
   59    HH   TYR   8           HH       TYR   8  -0.702  11.055   3.599
   60    H    CYS   9           H        CYS   9  -4.188   3.792   0.526
   61    HA   CYS   9           HA       CYS   9  -1.964   3.000   2.074
   62    HB2  CYS   9           HB2      CYS   9  -4.291   2.050   2.255
   63    HB3  CYS   9           HB3      CYS   9  -4.006   1.171   0.747
   64    H    TYR  10           H        TYR  10  -2.948   2.140  -1.230
   65    HA   TYR  10           HA       TYR  10  -0.679   0.478  -1.724
   66    HB2  TYR  10           HB2      TYR  10  -2.760   1.710  -3.547
   67    HB3  TYR  10           HB3      TYR  10  -1.436   0.713  -4.150
   68    HD1  TYR  10           HD1      TYR  10  -4.684   0.722  -2.526
   69    HD2  TYR  10           HD2      TYR  10  -1.305  -1.674  -3.507
   70    HE1  TYR  10           HE1      TYR  10  -6.016  -1.298  -2.165
   71    HE2  TYR  10           HE2      TYR  10  -2.636  -3.699  -3.142
   72    HH   TYR  10           HH       TYR  10  -6.020  -3.658  -2.863
   73    H    GLU  11           H        GLU  11  -1.228   3.882  -1.957
   74    HA   GLU  11           HA       GLU  11   0.907   4.337  -3.827
   75    HB2  GLU  11           HB2      GLU  11  -1.258   5.743  -3.477
   76    HB3  GLU  11           HB3      GLU  11  -0.373   6.479  -2.128
   77    HG2  GLU  11           HG2      GLU  11   0.549   6.469  -5.005
   78    HG3  GLU  11           HG3      GLU  11  -0.321   7.796  -4.213
   79    H    GLN  12           H        GLN  12   0.415   4.909  -0.325
   80    HA   GLN  12           HA       GLN  12   3.033   6.068  -0.067
   81    HB2  GLN  12           HB2      GLN  12   0.981   5.315   2.020
   82    HB3  GLN  12           HB3      GLN  12   2.476   6.171   2.344
   83    HG2  GLN  12           HG2      GLN  12   0.528   7.211   0.351
   84    HG3  GLN  12           HG3      GLN  12   0.321   7.506   2.071
   85   HE21  GLN  12          HE21      GLN  12   2.194   8.195  -0.750
   86   HE22  GLN  12          HE22      GLN  12   3.116   9.497  -0.056
   87    H    CYS  13           H        CYS  13   1.782   2.878   0.098
   88    HA   CYS  13           HA       CYS  13   3.437   1.761   2.068
   89    HB2  CYS  13           HB2      CYS  13   2.921  -0.408   1.005
   90    HB3  CYS  13           HB3      CYS  13   1.467   0.592   1.125
   91    H    ASN  14           H        ASN  14   3.900   1.809  -1.474
   92    HA   ASN  14           HA       ASN  14   6.563   0.781  -1.268
   93    HB2  ASN  14           HB2      ASN  14   6.740   1.282  -3.677
   94    HB3  ASN  14           HB3      ASN  14   5.270   0.394  -3.307
   95   HD21  ASN  14          HD21      ASN  14   3.232   1.525  -3.470
   96   HD22  ASN  14          HD22      ASN  14   3.122   3.017  -4.339
   97    H    VAL  15           H        VAL  15   5.166   3.970  -1.282
   98    HA   VAL  15           HA       VAL  15   7.469   5.451  -1.912
   99    HB   VAL  15           HB       VAL  15   5.049   6.196  -0.263
  100   HG11  VAL  15          HG11      VAL  15   6.930   7.570   0.466
  101   HG12  VAL  15          HG12      VAL  15   5.793   8.533  -0.477
  102   HG13  VAL  15          HG13      VAL  15   7.298   7.979  -1.210
  103   HG21  VAL  15          HG21      VAL  15   5.897   6.966  -3.059
  104   HG22  VAL  15          HG22      VAL  15   4.423   7.478  -2.240
  105   HG23  VAL  15          HG23      VAL  15   4.656   5.782  -2.655
  106    H    ASN  16           H        ASN  16   6.207   4.261   1.198
  107    HA   ASN  16           HA       ASN  16   8.342   5.380   2.725
  108    HB2  ASN  16           HB2      ASN  16   6.520   3.019   3.312
  109    HB3  ASN  16           HB3      ASN  16   7.670   3.702   4.465
  110   HD21  ASN  16          HD21      ASN  16   7.177   6.440   3.547
  111   HD22  ASN  16          HD22      ASN  16   5.636   6.876   4.204
  112    H    LYS  17           H        LYS  17   7.791   1.887   2.390
  113    HA   LYS  17           HA       LYS  17   9.739   1.321   0.537
  114    HB2  LYS  17           HB2      LYS  17  11.359   2.146   2.235
  115    HB3  LYS  17           HB3      LYS  17  10.807   0.870   3.331
  116    HG2  LYS  17           HG2      LYS  17  11.618  -0.842   1.835
  117    HG3  LYS  17           HG3      LYS  17  12.037   0.370   0.618
  118    HD2  LYS  17           HD2      LYS  17  13.718   1.333   2.043
  119    HD3  LYS  17           HD3      LYS  17  13.251   0.283   3.399
  120    HE2  LYS  17           HE2      LYS  17  13.926  -1.681   2.061
  121    HE3  LYS  17           HE3      LYS  17  14.415  -0.610   0.750
  122    HZ1  LYS  17           HZ1      LYS  17  16.309  -1.279   2.074
  123    HZ2  LYS  17           HZ2      LYS  17  15.591  -0.660   3.474
  124    HZ3  LYS  17           HZ3      LYS  17  16.052   0.385   2.231
  125    H    VAL  18           H        VAL  18   7.881  -0.099   0.052
  126    HA   VAL  18           HA       VAL  18   8.330  -2.662   1.368
  127    HB   VAL  18           HB       VAL  18   6.148  -3.186   1.936
  128   HG11  VAL  18          HG11      VAL  18   6.946  -1.406   3.419
  129   HG12  VAL  18          HG12      VAL  18   5.190  -1.410   3.265
  130   HG13  VAL  18          HG13      VAL  18   6.146  -0.203   2.403
  131   HG21  VAL  18          HG21      VAL  18   5.150  -0.983   0.141
  132   HG22  VAL  18          HG22      VAL  18   4.142  -2.082   1.086
  133   HG23  VAL  18          HG23      VAL  18   5.159  -2.712  -0.212
  134    HA   PRO  19           HA       PRO  19   7.991  -4.115  -2.862
  135    HB2  PRO  19           HB2      PRO  19   7.123  -6.666  -1.669
  136    HB3  PRO  19           HB3      PRO  19   8.536  -6.329  -2.686
  137    HG2  PRO  19           HG2      PRO  19   8.784  -6.867  -0.064
  138    HG3  PRO  19           HG3      PRO  19   9.853  -5.727  -0.905
  139    HD2  PRO  19           HD2      PRO  19   7.529  -5.151   0.902
  140    HD3  PRO  19           HD3      PRO  19   9.097  -4.323   0.756
  141    H    PHE  20           H        PHE  20   6.309  -4.767  -4.341
  142    HA   PHE  20           HA       PHE  20   3.787  -3.732  -3.776
  143    HB2  PHE  20           HB2      PHE  20   4.614  -4.072  -6.078
  144    HB3  PHE  20           HB3      PHE  20   4.452  -5.813  -5.876
  145    HD1  PHE  20           HD1      PHE  20   2.599  -2.642  -6.111
  146    HD2  PHE  20           HD2      PHE  20   2.337  -6.889  -6.085
  147    HE1  PHE  20           HE1      PHE  20   0.262  -2.500  -6.866
  148    HE2  PHE  20           HE2      PHE  20   0.001  -6.754  -6.843
  149    HZ   PHE  20           HZ       PHE  20  -1.040  -4.557  -7.233
  150    H    ASP  21           H        ASP  21   4.866  -7.119  -3.668
  151    HA   ASP  21           HA       ASP  21   2.364  -8.258  -3.138
  152    HB2  ASP  21           HB2      ASP  21   3.619 -10.185  -2.213
  153    HB3  ASP  21           HB3      ASP  21   4.229  -9.669  -3.781
  154    H    GLN  22           H        GLN  22   4.806  -6.945  -0.942
  155    HA   GLN  22           HA       GLN  22   3.482  -7.557   1.473
  156    HB2  GLN  22           HB2      GLN  22   5.836  -6.897   1.398
  157    HB3  GLN  22           HB3      GLN  22   5.386  -5.298   0.814
  158    HG2  GLN  22           HG2      GLN  22   5.839  -5.046   3.095
  159    HG3  GLN  22           HG3      GLN  22   4.076  -5.022   2.951
  160   HE21  GLN  22          HE21      GLN  22   5.779  -5.644   5.238
  161   HE22  GLN  22          HE22      GLN  22   5.330  -7.236   5.746
  162    H    CYS  23           H        CYS  23   3.366  -4.757  -0.687
  163    HA   CYS  23           HA       CYS  23   1.645  -3.148   0.868
  164    HB2  CYS  23           HB2      CYS  23   2.898  -2.395  -1.214
  165    HB3  CYS  23           HB3      CYS  23   1.682  -3.253  -2.164
  166    H    TYR  24           H        TYR  24   1.007  -5.611  -1.561
  167    HA   TYR  24           HA       TYR  24  -1.796  -5.402  -1.567
  168    HB2  TYR  24           HB2      TYR  24  -0.272  -6.651  -3.225
  169    HB3  TYR  24           HB3      TYR  24  -0.274  -7.968  -2.040
  170    HD1  TYR  24           HD1      TYR  24  -2.403  -9.138  -1.508
  171    HD2  TYR  24           HD2      TYR  24  -2.134  -6.256  -4.623
  172    HE1  TYR  24           HE1      TYR  24  -4.504  -9.977  -2.460
  173    HE2  TYR  24           HE2      TYR  24  -4.234  -7.084  -5.581
  174    HH   TYR  24           HH       TYR  24  -6.329  -9.161  -3.908
  175    H    GLN  25           H        GLN  25   0.414  -6.894   0.674
  176    HA   GLN  25           HA       GLN  25  -1.506  -8.746   1.739
  177    HB2  GLN  25           HB2      GLN  25   1.145  -7.785   2.859
  178    HB3  GLN  25           HB3      GLN  25   0.155  -9.017   3.623
  179    HG2  GLN  25           HG2      GLN  25   0.400 -10.394   1.526
  180    HG3  GLN  25           HG3      GLN  25   1.557  -9.199   0.947
  181   HE21  GLN  25          HE21      GLN  25   3.279 -10.569   0.920
  182   HE22  GLN  25          HE22      GLN  25   4.008 -11.201   2.359
  183    H    MET  26           H        MET  26  -0.431  -5.500   2.573
  184    HA   MET  26           HA       MET  26  -1.967  -5.533   5.033
  185    HB2  MET  26           HB2      MET  26  -0.408  -3.322   3.698
  186    HB3  MET  26           HB3      MET  26  -1.188  -3.177   5.263
  187    HG2  MET  26           HG2      MET  26   0.286  -4.988   6.113
  188    HG3  MET  26           HG3      MET  26   1.113  -5.003   4.554
  189    HE1  MET  26           HE1      MET  26   2.509  -1.255   4.537
  190    HE2  MET  26           HE2      MET  26   0.938  -1.787   3.939
  191    HE3  MET  26           HE3      MET  26   2.383  -2.733   3.588
  192    H    CYS  27           H        CYS  27  -2.196  -4.010   1.837
  193    HA   CYS  27           HA       CYS  27  -4.482  -2.458   2.690
  194    HB2  CYS  27           HB2      CYS  27  -3.371  -2.723  -0.120
  195    HB3  CYS  27           HB3      CYS  27  -4.436  -1.452   0.507
  196    H    SER  28           H        SER  28  -4.115  -5.627   1.441
  197    HA   SER  28           HA       SER  28  -6.387  -5.755  -0.191
  198    HB2  SER  28           HB2      SER  28  -6.322  -8.273   0.358
  199    HB3  SER  28           HB3      SER  28  -4.950  -7.550  -0.493
  200    HG   SER  28           HG       SER  28  -3.713  -7.911   1.169
  201    HA   PRO  29           HA       PRO  29  -8.957  -7.261   3.698
  202    HB2  PRO  29           HB2      PRO  29  -7.489  -5.722   5.781
  203    HB3  PRO  29           HB3      PRO  29  -8.296  -7.299   5.906
  204    HG2  PRO  29           HG2      PRO  29  -5.646  -7.185   5.806
  205    HG3  PRO  29           HG3      PRO  29  -6.522  -8.435   4.886
  206    HD2  PRO  29           HD2      PRO  29  -5.292  -5.867   3.903
  207    HD3  PRO  29           HD3      PRO  29  -5.285  -7.485   3.155
  208    H    LEU  30           H        LEU  30  -7.438  -4.206   3.185
  209    HA   LEU  30           HA       LEU  30  -9.608  -2.608   4.214
  210    HB2  LEU  30           HB2      LEU  30  -7.094  -1.990   4.101
  211    HB3  LEU  30           HB3      LEU  30  -7.390  -1.684   2.382
  212    HG   LEU  30           HG       LEU  30  -8.644  -0.211   4.724
  213   HD11  LEU  30          HD11      LEU  30  -7.354   1.695   3.819
  214   HD12  LEU  30          HD12      LEU  30  -6.604   0.603   2.653
  215   HD13  LEU  30          HD13      LEU  30  -6.324   0.378   4.380
  216   HD21  LEU  30          HD21      LEU  30  -9.675   1.253   3.099
  217   HD22  LEU  30          HD22      LEU  30 -10.191  -0.407   2.792
  218   HD23  LEU  30          HD23      LEU  30  -8.964   0.339   1.768
  219    H    GLU  31           H        GLU  31  -8.127  -3.017   1.023
  220    HA   GLU  31           HA       GLU  31 -10.240  -1.668  -0.325
  221    HB2  GLU  31           HB2      GLU  31  -7.908  -1.697  -1.160
  222    HB3  GLU  31           HB3      GLU  31  -8.053  -3.434  -1.459
  223    HG2  GLU  31           HG2      GLU  31  -9.848  -2.987  -3.079
  224    HG3  GLU  31           HG3      GLU  31  -9.635  -1.250  -2.825
  225    H    ARG  32           H        ARG  32  -9.503  -5.051   0.249
  226    HA   ARG  32           HA       ARG  32 -10.578  -7.003  -0.278
  227    HB2  ARG  32           HB2      ARG  32 -12.969  -5.149  -0.433
  228    HB3  ARG  32           HB3      ARG  32 -13.080  -6.913  -0.466
  229    HG2  ARG  32           HG2      ARG  32 -11.979  -6.923   1.816
  230    HG3  ARG  32           HG3      ARG  32 -12.130  -5.166   1.823
  231    HD2  ARG  32           HD2      ARG  32 -13.930  -6.318   3.055
  232    HD3  ARG  32           HD3      ARG  32 -14.536  -5.320   1.739
  233    HE   ARG  32           HE       ARG  32 -14.183  -7.937   0.790
  234   HH11  ARG  32          HH11      ARG  32 -16.197  -6.177   3.044
  235   HH12  ARG  32          HH12      ARG  32 -17.551  -7.243   2.865
  236   HH21  ARG  32          HH21      ARG  32 -15.958  -9.357   0.573
  237   HH22  ARG  32          HH22      ARG  32 -17.413  -9.059   1.468
  238    H    SER  33           H        SER  33  -9.259  -6.894  -2.199
  239    HA   SER  33           HA       SER  33 -10.233  -5.876  -4.661
  240    HB2  SER  33           HB2      SER  33  -8.176  -8.078  -4.316
  241    HB3  SER  33           HB3      SER  33  -8.329  -6.949  -5.661
  242    HG   SER  33           HG       SER  33  -7.934  -5.260  -4.014
  Start of MODEL    9
    1    HA   ALA   1           HA       ALA   1 -16.999   2.915  -1.036
    2    HB1  ALA   1           HB1      ALA   1 -17.565   4.539  -3.515
    3    HB2  ALA   1           HB2      ALA   1 -18.024   2.857  -3.247
    4    HB3  ALA   1           HB3      ALA   1 -16.320   3.299  -3.359
    5    H    SER   2           H        SER   2 -14.720   3.558  -1.421
    6    HA   SER   2           HA       SER   2 -14.119   6.389  -1.128
    7    HB2  SER   2           HB2      SER   2 -13.491   4.404   1.087
    8    HB3  SER   2           HB3      SER   2 -12.843   6.040   1.003
    9    HG   SER   2           HG       SER   2 -15.475   6.202   0.701
   10    HA   PRO   3           HA       PRO   3 -11.142   3.546  -3.464
   11    HB2  PRO   3           HB2      PRO   3 -11.134   5.894  -5.286
   12    HB3  PRO   3           HB3      PRO   3 -11.242   4.161  -5.667
   13    HG2  PRO   3           HG2      PRO   3 -13.383   5.733  -5.857
   14    HG3  PRO   3           HG3      PRO   3 -13.510   4.070  -5.244
   15    HD2  PRO   3           HD2      PRO   3 -13.548   6.655  -3.692
   16    HD3  PRO   3           HD3      PRO   3 -14.484   5.151  -3.431
   17    H    GLN   4           H        GLN   4 -10.993   6.932  -2.510
   18    HA   GLN   4           HA       GLN   4  -8.259   7.298  -3.122
   19    HB2  GLN   4           HB2      GLN   4  -8.407   9.398  -2.112
   20    HB3  GLN   4           HB3      GLN   4 -10.012   9.102  -2.754
   21    HG2  GLN   4           HG2      GLN   4  -9.241   8.661   0.119
   22    HG3  GLN   4           HG3      GLN   4  -9.979  10.138  -0.493
   23   HE21  GLN   4          HE21      GLN   4 -10.994   8.353   1.528
   24   HE22  GLN   4          HE22      GLN   4 -12.536   7.802   0.956
   25    H    GLN   5           H        GLN   5  -9.902   6.104  -0.273
   26    HA   GLN   5           HA       GLN   5  -7.643   6.280   1.433
   27    HB2  GLN   5           HB2      GLN   5  -8.856   5.078   3.046
   28    HB3  GLN   5           HB3      GLN   5 -10.056   6.021   2.183
   29    HG2  GLN   5           HG2      GLN   5 -10.682   4.038   0.891
   30    HG3  GLN   5           HG3      GLN   5  -9.473   3.098   1.761
   31   HE21  GLN   5          HE21      GLN   5 -10.034   4.518   4.287
   32   HE22  GLN   5          HE22      GLN   5 -11.531   3.861   4.860
   33    H    ALA   6           H        ALA   6  -8.914   3.763  -0.644
   34    HA   ALA   6           HA       ALA   6  -6.980   1.799   0.036
   35    HB1  ALA   6           HB1      ALA   6  -7.647   0.729  -2.112
   36    HB2  ALA   6           HB2      ALA   6  -8.667   2.126  -2.443
   37    HB3  ALA   6           HB3      ALA   6  -9.004   1.099  -1.049
   38    H    LYS   7           H        LYS   7  -7.179   4.257  -2.494
   39    HA   LYS   7           HA       LYS   7  -4.781   3.596  -3.813
   40    HB2  LYS   7           HB2      LYS   7  -6.617   5.107  -4.663
   41    HB3  LYS   7           HB3      LYS   7  -6.013   6.346  -3.574
   42    HG2  LYS   7           HG2      LYS   7  -5.239   6.663  -5.875
   43    HG3  LYS   7           HG3      LYS   7  -3.891   6.400  -4.738
   44    HD2  LYS   7           HD2      LYS   7  -3.549   4.183  -5.507
   45    HD3  LYS   7           HD3      LYS   7  -5.118   4.127  -6.314
   46    HE2  LYS   7           HE2      LYS   7  -2.796   5.878  -7.142
   47    HE3  LYS   7           HE3      LYS   7  -3.239   4.355  -7.916
   48    HZ1  LYS   7           HZ1      LYS   7  -4.931   6.797  -7.772
   49    HZ2  LYS   7           HZ2      LYS   7  -5.392   5.331  -8.475
   50    HZ3  LYS   7           HZ3      LYS   7  -4.121   6.223  -9.141
   51    H    TYR   8           H        TYR   8  -5.484   5.491  -0.965
   52    HA   TYR   8           HA       TYR   8  -2.950   6.713  -0.652
   53    HB2  TYR   8           HB2      TYR   8  -5.043   7.429   0.515
   54    HB3  TYR   8           HB3      TYR   8  -4.954   5.963   1.492
   55    HD1  TYR   8           HD1      TYR   8  -3.362   9.205   0.804
   56    HD2  TYR   8           HD2      TYR   8  -3.468   5.801   3.350
   57    HE1  TYR   8           HE1      TYR   8  -1.981  10.399   2.449
   58    HE2  TYR   8           HE2      TYR   8  -2.082   6.980   5.001
   59    HH   TYR   8           HH       TYR   8  -0.421   8.875   4.993
   60    H    CYS   9           H        CYS   9  -4.335   3.680   0.525
   61    HA   CYS   9           HA       CYS   9  -2.177   2.886   2.146
   62    HB2  CYS   9           HB2      CYS   9  -4.427   1.819   2.184
   63    HB3  CYS   9           HB3      CYS   9  -4.094   1.094   0.603
   64    H    TYR  10           H        TYR  10  -2.895   2.236  -1.264
   65    HA   TYR  10           HA       TYR  10  -0.530   0.681  -1.672
   66    HB2  TYR  10           HB2      TYR  10  -2.504   1.926  -3.603
   67    HB3  TYR  10           HB3      TYR  10  -1.122   0.955  -4.118
   68    HD1  TYR  10           HD1      TYR  10  -4.502   0.899  -2.844
   69    HD2  TYR  10           HD2      TYR  10  -1.005  -1.452  -3.431
   70    HE1  TYR  10           HE1      TYR  10  -5.841  -1.135  -2.635
   71    HE2  TYR  10           HE2      TYR  10  -2.342  -3.498  -3.215
   72    HH   TYR  10           HH       TYR  10  -5.783  -3.441  -3.259
   73    H    GLU  11           H        GLU  11  -1.228   4.105  -1.824
   74    HA   GLU  11           HA       GLU  11   1.014   4.678  -3.498
   75    HB2  GLU  11           HB2      GLU  11   0.454   6.933  -3.352
   76    HB3  GLU  11           HB3      GLU  11  -1.113   6.133  -3.153
   77    HG2  GLU  11           HG2      GLU  11  -1.077   6.522  -0.800
   78    HG3  GLU  11           HG3      GLU  11   0.596   7.117  -0.879
   79    H    GLN  12           H        GLN  12   0.422   4.861   0.016
   80    HA   GLN  12           HA       GLN  12   2.976   6.051   0.483
   81    HB2  GLN  12           HB2      GLN  12   1.004   4.843   2.435
   82    HB3  GLN  12           HB3      GLN  12   2.414   5.785   2.882
   83    HG2  GLN  12           HG2      GLN  12   0.380   6.934   1.040
   84    HG3  GLN  12           HG3      GLN  12   0.081   6.892   2.768
   85   HE21  GLN  12          HE21      GLN  12   3.296   7.282   1.495
   86   HE22  GLN  12          HE22      GLN  12   3.478   8.940   1.946
   87    H    CYS  13           H        CYS  13   1.806   2.799   0.294
   88    HA   CYS  13           HA       CYS  13   3.635   1.549   2.013
   89    HB2  CYS  13           HB2      CYS  13   3.057  -0.525   0.862
   90    HB3  CYS  13           HB3      CYS  13   1.597   0.446   1.078
   91    H    ASN  14           H        ASN  14   3.842   1.891  -1.558
   92    HA   ASN  14           HA       ASN  14   6.550   0.981  -1.553
   93    HB2  ASN  14           HB2      ASN  14   6.579   1.670  -3.961
   94    HB3  ASN  14           HB3      ASN  14   5.298   0.551  -3.534
   95   HD21  ASN  14          HD21      ASN  14   5.341   4.087  -3.072
   96   HD22  ASN  14          HD22      ASN  14   3.994   4.385  -4.119
   97    H    VAL  15           H        VAL  15   5.078   4.102  -1.227
   98    HA   VAL  15           HA       VAL  15   7.322   5.695  -1.830
   99    HB   VAL  15           HB       VAL  15   4.960   6.174  -0.015
  100   HG11  VAL  15          HG11      VAL  15   6.830   7.415   0.937
  101   HG12  VAL  15          HG12      VAL  15   5.696   8.524   0.166
  102   HG13  VAL  15          HG13      VAL  15   7.203   8.099  -0.644
  103   HG21  VAL  15          HG21      VAL  15   4.524   6.188  -2.421
  104   HG22  VAL  15          HG22      VAL  15   5.793   7.391  -2.652
  105   HG23  VAL  15          HG23      VAL  15   4.343   7.804  -1.739
  106    H    ASN  16           H        ASN  16   6.261   4.123   1.180
  107    HA   ASN  16           HA       ASN  16   8.412   5.194   2.729
  108    HB2  ASN  16           HB2      ASN  16   6.727   2.718   3.245
  109    HB3  ASN  16           HB3      ASN  16   7.783   3.511   4.416
  110   HD21  ASN  16          HD21      ASN  16   6.981   6.190   3.417
  111   HD22  ASN  16          HD22      ASN  16   5.402   6.452   4.080
  112    H    LYS  17           H        LYS  17   7.892   1.718   2.240
  113    HA   LYS  17           HA       LYS  17   9.807   1.229   0.354
  114    HB2  LYS  17           HB2      LYS  17  11.747   0.365   1.513
  115    HB3  LYS  17           HB3      LYS  17  11.468   2.036   2.012
  116    HG2  LYS  17           HG2      LYS  17  10.735  -0.418   3.621
  117    HG3  LYS  17           HG3      LYS  17  12.181   0.566   3.860
  118    HD2  LYS  17           HD2      LYS  17  10.846   2.486   4.467
  119    HD3  LYS  17           HD3      LYS  17   9.338   1.623   4.092
  120    HE2  LYS  17           HE2      LYS  17   9.994  -0.046   5.864
  121    HE3  LYS  17           HE3      LYS  17  11.317   1.035   6.302
  122    HZ1  LYS  17           HZ1      LYS  17   8.422   1.678   6.395
  123    HZ2  LYS  17           HZ2      LYS  17   9.664   2.771   6.740
  124    HZ3  LYS  17           HZ3      LYS  17   9.435   1.415   7.722
  125    H    VAL  18           H        VAL  18   7.967  -0.182  -0.180
  126    HA   VAL  18           HA       VAL  18   8.356  -2.773   1.110
  127    HB   VAL  18           HB       VAL  18   6.164  -3.261   1.655
  128   HG11  VAL  18          HG11      VAL  18   6.965  -1.550   3.185
  129   HG12  VAL  18          HG12      VAL  18   5.215  -1.454   2.978
  130   HG13  VAL  18          HG13      VAL  18   6.265  -0.291   2.167
  131   HG21  VAL  18          HG21      VAL  18   4.186  -2.127   0.818
  132   HG22  VAL  18          HG22      VAL  18   5.204  -2.722  -0.498
  133   HG23  VAL  18          HG23      VAL  18   5.203  -1.004  -0.091
  134    HA   PRO  19           HA       PRO  19   7.943  -4.218  -3.132
  135    HB2  PRO  19           HB2      PRO  19   7.277  -6.798  -1.880
  136    HB3  PRO  19           HB3      PRO  19   8.619  -6.393  -2.965
  137    HG2  PRO  19           HG2      PRO  19   9.027  -6.905  -0.359
  138    HG3  PRO  19           HG3      PRO  19   9.986  -5.708  -1.251
  139    HD2  PRO  19           HD2      PRO  19   7.702  -5.256   0.647
  140    HD3  PRO  19           HD3      PRO  19   9.227  -4.356   0.457
  141    H    PHE  20           H        PHE  20   6.178  -5.012  -4.494
  142    HA   PHE  20           HA       PHE  20   3.702  -3.969  -3.798
  143    HB2  PHE  20           HB2      PHE  20   4.360  -4.462  -6.135
  144    HB3  PHE  20           HB3      PHE  20   4.177  -6.182  -5.808
  145    HD1  PHE  20           HD1      PHE  20   2.378  -2.984  -6.089
  146    HD2  PHE  20           HD2      PHE  20   2.040  -7.216  -5.787
  147    HE1  PHE  20           HE1      PHE  20  -0.012  -2.829  -6.655
  148    HE2  PHE  20           HE2      PHE  20  -0.349  -7.069  -6.356
  149    HZ   PHE  20           HZ       PHE  20  -1.378  -4.875  -6.789
  150    H    ASP  21           H        ASP  21   4.822  -7.320  -3.493
  151    HA   ASP  21           HA       ASP  21   2.362  -8.464  -2.795
  152    HB2  ASP  21           HB2      ASP  21   3.596 -10.334  -1.907
  153    HB3  ASP  21           HB3      ASP  21   4.398  -9.784  -3.372
  154    H    GLN  22           H        GLN  22   4.841  -6.937  -0.772
  155    HA   GLN  22           HA       GLN  22   3.552  -7.369   1.703
  156    HB2  GLN  22           HB2      GLN  22   5.885  -6.712   1.612
  157    HB3  GLN  22           HB3      GLN  22   5.456  -5.180   0.860
  158    HG2  GLN  22           HG2      GLN  22   5.924  -4.835   3.187
  159    HG3  GLN  22           HG3      GLN  22   4.203  -4.565   2.881
  160   HE21  GLN  22          HE21      GLN  22   5.650  -7.743   3.075
  161   HE22  GLN  22          HE22      GLN  22   4.892  -8.204   4.562
  162    H    CYS  23           H        CYS  23   3.372  -4.755  -0.670
  163    HA   CYS  23           HA       CYS  23   1.672  -3.054   0.814
  164    HB2  CYS  23           HB2      CYS  23   2.892  -2.453  -1.358
  165    HB3  CYS  23           HB3      CYS  23   1.609  -3.322  -2.204
  166    H    TYR  24           H        TYR  24   1.006  -5.649  -1.477
  167    HA   TYR  24           HA       TYR  24  -1.795  -5.497  -1.430
  168    HB2  TYR  24           HB2      TYR  24  -0.341  -6.822  -3.045
  169    HB3  TYR  24           HB3      TYR  24  -0.178  -8.035  -1.764
  170    HD1  TYR  24           HD1      TYR  24  -2.396  -6.561  -4.250
  171    HD2  TYR  24           HD2      TYR  24  -2.097  -9.397  -1.096
  172    HE1  TYR  24           HE1      TYR  24  -4.477  -7.618  -5.014
  173    HE2  TYR  24           HE2      TYR  24  -4.177 -10.461  -1.846
  174    HH   TYR  24           HH       TYR  24  -6.165  -9.935  -3.137
  175    H    GLN  25           H        GLN  25   0.487  -6.870   0.843
  176    HA   GLN  25           HA       GLN  25  -1.394  -8.617   2.107
  177    HB2  GLN  25           HB2      GLN  25   1.278  -7.541   3.041
  178    HB3  GLN  25           HB3      GLN  25   0.300  -8.647   4.000
  179    HG2  GLN  25           HG2      GLN  25   1.668  -9.188   1.361
  180    HG3  GLN  25           HG3      GLN  25   1.897  -9.999   2.906
  181   HE21  GLN  25          HE21      GLN  25  -0.073  -9.723   0.087
  182   HE22  GLN  25          HE22      GLN  25  -1.047 -11.125   0.375
  183    H    MET  26           H        MET  26  -0.309  -5.322   2.662
  184    HA   MET  26           HA       MET  26  -1.785  -5.100   5.128
  185    HB2  MET  26           HB2      MET  26   0.231  -3.875   5.076
  186    HB3  MET  26           HB3      MET  26  -0.115  -3.226   3.482
  187    HG2  MET  26           HG2      MET  26  -1.889  -1.831   4.423
  188    HG3  MET  26           HG3      MET  26  -1.552  -2.485   6.026
  189    HE1  MET  26           HE1      MET  26   0.077  -0.611   2.970
  190    HE2  MET  26           HE2      MET  26   1.367  -1.724   3.433
  191    HE3  MET  26           HE3      MET  26   1.565   0.008   3.686
  192    H    CYS  27           H        CYS  27  -2.177  -4.012   1.785
  193    HA   CYS  27           HA       CYS  27  -4.484  -2.416   2.504
  194    HB2  CYS  27           HB2      CYS  27  -3.385  -2.998  -0.265
  195    HB3  CYS  27           HB3      CYS  27  -4.518  -1.709   0.191
  196    H    SER  28           H        SER  28  -4.024  -5.695   1.567
  197    HA   SER  28           HA       SER  28  -6.311  -6.097   0.032
  198    HB2  SER  28           HB2      SER  28  -6.156  -8.525   0.930
  199    HB3  SER  28           HB3      SER  28  -4.840  -7.883  -0.061
  200    HG   SER  28           HG       SER  28  -3.543  -7.952   1.597
  201    HA   PRO  29           HA       PRO  29  -8.821  -7.178   4.076
  202    HB2  PRO  29           HB2      PRO  29  -7.370  -5.483   6.037
  203    HB3  PRO  29           HB3      PRO  29  -8.116  -7.080   6.261
  204    HG2  PRO  29           HG2      PRO  29  -5.474  -6.870   6.125
  205    HG3  PRO  29           HG3      PRO  29  -6.314  -8.207   5.298
  206    HD2  PRO  29           HD2      PRO  29  -5.213  -5.651   4.133
  207    HD3  PRO  29           HD3      PRO  29  -5.114  -7.318   3.506
  208    H    LEU  30           H        LEU  30  -7.476  -4.231   3.046
  209    HA   LEU  30           HA       LEU  30  -9.641  -2.589   4.100
  210    HB2  LEU  30           HB2      LEU  30  -7.134  -1.916   3.953
  211    HB3  LEU  30           HB3      LEU  30  -7.457  -1.686   2.227
  212    HG   LEU  30           HG       LEU  30  -8.706  -0.156   4.535
  213   HD11  LEU  30          HD11      LEU  30  -6.432   0.507   4.061
  214   HD12  LEU  30          HD12      LEU  30  -7.543   1.752   3.486
  215   HD13  LEU  30          HD13      LEU  30  -6.798   0.637   2.340
  216   HD21  LEU  30          HD21      LEU  30  -9.859   1.188   2.885
  217   HD22  LEU  30          HD22      LEU  30 -10.328  -0.504   2.692
  218   HD23  LEU  30          HD23      LEU  30  -9.175   0.227   1.574
  219    H    GLU  31           H        GLU  31  -8.116  -3.112   0.940
  220    HA   GLU  31           HA       GLU  31 -10.272  -1.829  -0.423
  221    HB2  GLU  31           HB2      GLU  31  -7.915  -1.703  -1.196
  222    HB3  GLU  31           HB3      GLU  31  -7.972  -3.430  -1.572
  223    HG2  GLU  31           HG2      GLU  31  -9.751  -2.993  -3.213
  224    HG3  GLU  31           HG3      GLU  31  -9.633  -1.264  -2.873
  225    H    ARG  32           H        ARG  32  -9.109  -5.205  -0.414
  226    HA   ARG  32           HA       ARG  32 -11.761  -5.989  -1.414
  227    HB2  ARG  32           HB2      ARG  32  -9.091  -7.032  -2.402
  228    HB3  ARG  32           HB3      ARG  32 -10.642  -7.770  -2.799
  229    HG2  ARG  32           HG2      ARG  32  -9.867  -4.929  -3.521
  230    HG3  ARG  32           HG3      ARG  32  -9.683  -6.309  -4.601
  231    HD2  ARG  32           HD2      ARG  32 -12.207  -5.011  -3.605
  232    HD3  ARG  32           HD3      ARG  32 -11.687  -5.318  -5.255
  233    HE   ARG  32           HE       ARG  32 -12.090  -7.720  -3.733
  234   HH11  ARG  32          HH11      ARG  32 -13.626  -5.300  -5.732
  235   HH12  ARG  32          HH12      ARG  32 -14.939  -6.332  -6.190
  236   HH21  ARG  32          HH21      ARG  32 -13.813  -9.084  -4.330
  237   HH22  ARG  32          HH22      ARG  32 -15.042  -8.491  -5.401
  238    H    SER  33           H        SER  33 -12.331  -6.575   0.674
  239    HA   SER  33           HA       SER  33 -11.059  -9.077   1.570
  240    HB2  SER  33           HB2      SER  33 -11.908  -8.430   3.880
  241    HB3  SER  33           HB3      SER  33 -10.611  -7.414   3.252
  242    HG   SER  33           HG       SER  33 -13.336  -6.736   2.905
  Start of MODEL   10
    1    HA   ALA   1           HA       ALA   1 -16.155   1.481  -1.711
    2    HB1  ALA   1           HB1      ALA   1 -17.094   0.905   1.097
    3    HB2  ALA   1           HB2      ALA   1 -17.789   0.246  -0.382
    4    HB3  ALA   1           HB3      ALA   1 -17.885   1.976  -0.056
    5    H    SER   2           H        SER   2 -13.550   2.004  -1.097
    6    HA   SER   2           HA       SER   2 -13.704   4.625   0.115
    7    HB2  SER   2           HB2      SER   2 -13.397   2.936   2.058
    8    HB3  SER   2           HB3      SER   2 -11.789   2.652   1.395
    9    HG   SER   2           HG       SER   2 -12.121   5.270   1.561
   10    HA   PRO   3           HA       PRO   3 -10.782   3.521  -3.482
   11    HB2  PRO   3           HB2      PRO   3 -11.809   6.172  -4.373
   12    HB3  PRO   3           HB3      PRO   3 -11.531   4.686  -5.309
   13    HG2  PRO   3           HG2      PRO   3 -13.996   5.420  -4.645
   14    HG3  PRO   3           HG3      PRO   3 -13.506   3.714  -4.612
   15    HD2  PRO   3           HD2      PRO   3 -13.907   5.602  -2.301
   16    HD3  PRO   3           HD3      PRO   3 -14.250   3.850  -2.418
   17    H    GLN   4           H        GLN   4 -11.259   6.872  -2.311
   18    HA   GLN   4           HA       GLN   4  -8.696   7.759  -2.936
   19    HB2  GLN   4           HB2      GLN   4 -10.505   9.313  -2.466
   20    HB3  GLN   4           HB3      GLN   4 -10.605   8.742  -0.806
   21    HG2  GLN   4           HG2      GLN   4  -8.296   9.580  -0.430
   22    HG3  GLN   4           HG3      GLN   4  -8.313  10.263  -2.055
   23   HE21  GLN   4          HE21      GLN   4 -11.156  10.993  -1.857
   24   HE22  GLN   4          HE22      GLN   4 -11.211  12.384  -0.828
   25    H    GLN   5           H        GLN   5  -9.942   6.437   0.099
   26    HA   GLN   5           HA       GLN   5  -7.488   6.835   1.491
   27    HB2  GLN   5           HB2      GLN   5  -9.895   5.145   2.153
   28    HB3  GLN   5           HB3      GLN   5  -8.496   5.290   3.205
   29    HG2  GLN   5           HG2      GLN   5 -10.230   7.594   2.318
   30    HG3  GLN   5           HG3      GLN   5 -10.358   6.762   3.866
   31   HE21  GLN   5          HE21      GLN   5  -9.893   8.658   5.046
   32   HE22  GLN   5          HE22      GLN   5  -8.308   9.351   5.080
   33    H    ALA   6           H        ALA   6  -8.967   4.070  -0.137
   34    HA   ALA   6           HA       ALA   6  -6.940   2.214   0.529
   35    HB1  ALA   6           HB1      ALA   6  -9.087   1.458  -0.325
   36    HB2  ALA   6           HB2      ALA   6  -7.778   0.884  -1.357
   37    HB3  ALA   6           HB3      ALA   6  -8.768   2.246  -1.870
   38    H    LYS   7           H        LYS   7  -7.316   4.533  -2.087
   39    HA   LYS   7           HA       LYS   7  -5.105   3.749  -3.638
   40    HB2  LYS   7           HB2      LYS   7  -6.852   5.314  -4.432
   41    HB3  LYS   7           HB3      LYS   7  -6.285   6.519  -3.287
   42    HG2  LYS   7           HG2      LYS   7  -5.458   7.050  -5.472
   43    HG3  LYS   7           HG3      LYS   7  -4.097   6.553  -4.432
   44    HD2  LYS   7           HD2      LYS   7  -4.267   4.260  -5.419
   45    HD3  LYS   7           HD3      LYS   7  -5.501   4.861  -6.531
   46    HE2  LYS   7           HE2      LYS   7  -3.302   4.813  -7.616
   47    HE3  LYS   7           HE3      LYS   7  -3.879   6.472  -7.439
   48    HZ1  LYS   7           HZ1      LYS   7  -2.473   6.689  -5.465
   49    HZ2  LYS   7           HZ2      LYS   7  -1.564   6.312  -6.839
   50    HZ3  LYS   7           HZ3      LYS   7  -1.896   5.114  -5.694
   51    H    TYR   8           H        TYR   8  -5.415   5.906  -0.871
   52    HA   TYR   8           HA       TYR   8  -2.770   6.909  -0.915
   53    HB2  TYR   8           HB2      TYR   8  -4.704   7.923   0.339
   54    HB3  TYR   8           HB3      TYR   8  -4.570   6.600   1.500
   55    HD1  TYR   8           HD1      TYR   8  -2.881   9.579   0.149
   56    HD2  TYR   8           HD2      TYR   8  -2.881   6.601   3.185
   57    HE1  TYR   8           HE1      TYR   8  -1.217  10.876   1.409
   58    HE2  TYR   8           HE2      TYR   8  -1.213   7.886   4.455
   59    HH   TYR   8           HH       TYR   8  -0.426  11.118   3.699
   60    H    CYS   9           H        CYS   9  -4.290   4.141   0.606
   61    HA   CYS   9           HA       CYS   9  -2.190   3.247   2.221
   62    HB2  CYS   9           HB2      CYS   9  -4.475   2.326   2.334
   63    HB3  CYS   9           HB3      CYS   9  -4.272   1.608   0.732
   64    H    TYR  10           H        TYR  10  -2.971   2.416  -1.144
   65    HA   TYR  10           HA       TYR  10  -0.695   0.682  -1.384
   66    HB2  TYR  10           HB2      TYR  10  -2.735   1.689  -3.379
   67    HB3  TYR  10           HB3      TYR  10  -1.393   0.633  -3.828
   68    HD1  TYR  10           HD1      TYR  10  -1.202  -1.592  -2.607
   69    HD2  TYR  10           HD2      TYR  10  -4.743   0.766  -2.579
   70    HE1  TYR  10           HE1      TYR  10  -2.510  -3.567  -2.034
   71    HE2  TYR  10           HE2      TYR  10  -6.060  -1.218  -1.996
   72    HH   TYR  10           HH       TYR  10  -5.798  -3.765  -2.313
   73    H    GLU  11           H        GLU  11  -1.306   4.059  -2.094
   74    HA   GLU  11           HA       GLU  11   0.843   4.270  -3.953
   75    HB2  GLU  11           HB2      GLU  11   0.421   6.606  -4.007
   76    HB3  GLU  11           HB3      GLU  11  -1.159   5.819  -3.842
   77    HG2  GLU  11           HG2      GLU  11  -1.165   6.332  -1.472
   78    HG3  GLU  11           HG3      GLU  11   0.428   7.094  -1.635
   79    H    GLN  12           H        GLN  12   0.517   5.021  -0.481
   80    HA   GLN  12           HA       GLN  12   3.166   6.115  -0.391
   81    HB2  GLN  12           HB2      GLN  12   1.173   5.509   1.800
   82    HB3  GLN  12           HB3      GLN  12   2.724   6.284   2.073
   83    HG2  GLN  12           HG2      GLN  12   0.814   7.420   0.100
   84    HG3  GLN  12           HG3      GLN  12   0.587   7.706   1.813
   85   HE21  GLN  12          HE21      GLN  12   3.772   7.375   0.458
   86   HE22  GLN  12          HE22      GLN  12   4.224   9.036   0.624
   87    H    CYS  13           H        CYS  13   1.821   2.957   0.086
   88    HA   CYS  13           HA       CYS  13   3.578   1.994   2.041
   89    HB2  CYS  13           HB2      CYS  13   2.947  -0.262   1.279
   90    HB3  CYS  13           HB3      CYS  13   1.528   0.785   1.378
   91    H    ASN  14           H        ASN  14   3.863   1.649  -1.522
   92    HA   ASN  14           HA       ASN  14   6.514   0.589  -1.289
   93    HB2  ASN  14           HB2      ASN  14   6.622   0.817  -3.752
   94    HB3  ASN  14           HB3      ASN  14   5.172  -0.012  -3.214
   95   HD21  ASN  14          HD21      ASN  14   6.409   3.026  -4.546
   96   HD22  ASN  14          HD22      ASN  14   4.870   3.579  -5.119
   97    H    VAL  15           H        VAL  15   5.220   3.813  -1.616
   98    HA   VAL  15           HA       VAL  15   7.609   5.071  -2.456
   99    HB   VAL  15           HB       VAL  15   5.244   6.204  -0.948
  100   HG11  VAL  15          HG11      VAL  15   6.108   8.421  -1.546
  101   HG12  VAL  15          HG12      VAL  15   7.548   7.675  -2.238
  102   HG13  VAL  15          HG13      VAL  15   7.240   7.554  -0.507
  103   HG21  VAL  15          HG21      VAL  15   6.059   6.365  -3.853
  104   HG22  VAL  15          HG22      VAL  15   4.695   7.217  -3.129
  105   HG23  VAL  15          HG23      VAL  15   4.698   5.456  -3.197
  106    H    ASN  16           H        ASN  16   6.247   4.369   0.741
  107    HA   ASN  16           HA       ASN  16   8.367   5.638   2.171
  108    HB2  ASN  16           HB2      ASN  16   6.396   3.497   3.040
  109    HB3  ASN  16           HB3      ASN  16   7.521   4.326   4.128
  110   HD21  ASN  16          HD21      ASN  16   4.641   4.359   4.324
  111   HD22  ASN  16          HD22      ASN  16   4.149   6.009   4.135
  112    H    LYS  17           H        LYS  17   7.648   2.145   2.289
  113    HA   LYS  17           HA       LYS  17   9.803   1.282   0.778
  114    HB2  LYS  17           HB2      LYS  17  11.214   2.235   2.574
  115    HB3  LYS  17           HB3      LYS  17  10.412   1.170   3.739
  116    HG2  LYS  17           HG2      LYS  17  11.244  -0.789   2.471
  117    HG3  LYS  17           HG3      LYS  17  12.121   0.311   1.401
  118    HD2  LYS  17           HD2      LYS  17  13.482   1.114   3.196
  119    HD3  LYS  17           HD3      LYS  17  12.516   0.242   4.407
  120    HE2  LYS  17           HE2      LYS  17  14.208  -0.993   2.221
  121    HE3  LYS  17           HE3      LYS  17  14.622  -0.919   3.931
  122    HZ1  LYS  17           HZ1      LYS  17  13.729  -3.079   3.336
  123    HZ2  LYS  17           HZ2      LYS  17  12.305  -2.371   2.772
  124    HZ3  LYS  17           HZ3      LYS  17  12.691  -2.298   4.416
  125    H    VAL  18           H        VAL  18   7.871  -0.068   0.237
  126    HA   VAL  18           HA       VAL  18   8.226  -2.581   1.643
  127    HB   VAL  18           HB       VAL  18   6.091  -3.044   2.314
  128   HG11  VAL  18          HG11      VAL  18   6.711  -1.050   3.571
  129   HG12  VAL  18          HG12      VAL  18   4.966  -1.180   3.361
  130   HG13  VAL  18          HG13      VAL  18   5.888  -0.036   2.384
  131   HG21  VAL  18          HG21      VAL  18   4.036  -2.215   1.304
  132   HG22  VAL  18          HG22      VAL  18   5.122  -2.925   0.104
  133   HG23  VAL  18          HG23      VAL  18   4.979  -1.168   0.235
  134    HA   PRO  19           HA       PRO  19   7.978  -4.006  -2.610
  135    HB2  PRO  19           HB2      PRO  19   7.188  -6.602  -1.477
  136    HB3  PRO  19           HB3      PRO  19   8.614  -6.194  -2.447
  137    HG2  PRO  19           HG2      PRO  19   8.799  -6.776   0.179
  138    HG3  PRO  19           HG3      PRO  19   9.870  -5.609  -0.618
  139    HD2  PRO  19           HD2      PRO  19   7.493  -5.096   1.141
  140    HD3  PRO  19           HD3      PRO  19   9.046  -4.233   1.033
  141    H    PHE  20           H        PHE  20   6.271  -4.508  -4.108
  142    HA   PHE  20           HA       PHE  20   3.757  -3.566  -3.356
  143    HB2  PHE  20           HB2      PHE  20   4.569  -3.675  -5.717
  144    HB3  PHE  20           HB3      PHE  20   4.273  -5.412  -5.696
  145    HD1  PHE  20           HD1      PHE  20   2.702  -2.098  -5.596
  146    HD2  PHE  20           HD2      PHE  20   2.049  -6.298  -5.821
  147    HE1  PHE  20           HE1      PHE  20   0.350  -1.697  -6.203
  148    HE2  PHE  20           HE2      PHE  20  -0.302  -5.904  -6.432
  149    HZ   PHE  20           HZ       PHE  20  -1.153  -3.601  -6.622
  150    H    ASP  21           H        ASP  21   4.897  -6.911  -3.622
  151    HA   ASP  21           HA       ASP  21   2.486  -8.222  -3.164
  152    HB2  ASP  21           HB2      ASP  21   3.947 -10.057  -2.193
  153    HB3  ASP  21           HB3      ASP  21   4.337  -9.544  -3.833
  154    H    GLN  22           H        GLN  22   4.863  -7.001  -0.824
  155    HA   GLN  22           HA       GLN  22   3.495  -7.848   1.482
  156    HB2  GLN  22           HB2      GLN  22   5.857  -7.129   1.491
  157    HB3  GLN  22           HB3      GLN  22   5.347  -5.477   1.154
  158    HG2  GLN  22           HG2      GLN  22   4.139  -5.422   3.277
  159    HG3  GLN  22           HG3      GLN  22   4.672  -7.074   3.612
  160   HE21  GLN  22          HE21      GLN  22   6.817  -7.466   4.121
  161   HE22  GLN  22          HE22      GLN  22   7.888  -6.198   4.621
  162    H    CYS  23           H        CYS  23   3.303  -4.929  -0.475
  163    HA   CYS  23           HA       CYS  23   1.556  -3.484   1.220
  164    HB2  CYS  23           HB2      CYS  23   2.824  -2.517  -0.774
  165    HB3  CYS  23           HB3      CYS  23   1.607  -3.273  -1.804
  166    H    TYR  24           H        TYR  24   0.942  -5.673  -1.507
  167    HA   TYR  24           HA       TYR  24  -1.867  -5.527  -1.350
  168    HB2  TYR  24           HB2      TYR  24  -0.665  -6.432  -3.328
  169    HB3  TYR  24           HB3      TYR  24  -0.197  -7.845  -2.367
  170    HD1  TYR  24           HD1      TYR  24  -3.107  -6.030  -3.772
  171    HD2  TYR  24           HD2      TYR  24  -1.670  -9.661  -2.093
  172    HE1  TYR  24           HE1      TYR  24  -5.206  -7.138  -4.387
  173    HE2  TYR  24           HE2      TYR  24  -3.764 -10.780  -2.706
  174    HH   TYR  24           HH       TYR  24  -6.056  -9.367  -4.817
  175    H    GLN  25           H        GLN  25   0.478  -7.593   0.299
  176    HA   GLN  25           HA       GLN  25  -1.474  -9.428   1.258
  177    HB2  GLN  25           HB2      GLN  25   1.344  -8.815   2.147
  178    HB3  GLN  25           HB3      GLN  25   0.337  -9.979   2.998
  179    HG2  GLN  25           HG2      GLN  25   1.249 -10.148   0.116
  180    HG3  GLN  25           HG3      GLN  25   1.747 -11.172   1.459
  181   HE21  GLN  25          HE21      GLN  25  -0.706 -10.489  -0.865
  182   HE22  GLN  25          HE22      GLN  25  -1.693 -11.876  -0.550
  183    H    MET  26           H        MET  26  -0.258  -6.377   2.437
  184    HA   MET  26           HA       MET  26  -1.598  -6.715   4.984
  185    HB2  MET  26           HB2      MET  26   0.554  -5.679   5.072
  186    HB3  MET  26           HB3      MET  26   0.112  -4.532   3.819
  187    HG2  MET  26           HG2      MET  26  -1.474  -3.463   5.351
  188    HG3  MET  26           HG3      MET  26  -1.023  -4.611   6.612
  189    HE1  MET  26           HE1      MET  26   1.973  -1.577   4.826
  190    HE2  MET  26           HE2      MET  26   0.355  -1.844   4.180
  191    HE3  MET  26           HE3      MET  26   1.584  -3.101   4.035
  192    H    CYS  27           H        CYS  27  -1.989  -4.761   2.037
  193    HA   CYS  27           HA       CYS  27  -4.179  -3.309   3.320
  194    HB2  CYS  27           HB2      CYS  27  -2.326  -2.241   1.800
  195    HB3  CYS  27           HB3      CYS  27  -3.342  -2.833   0.468
  196    H    SER  28           H        SER  28  -3.922  -6.112   1.412
  197    HA   SER  28           HA       SER  28  -6.130  -5.838  -0.261
  198    HB2  SER  28           HB2      SER  28  -6.262  -8.375  -0.199
  199    HB3  SER  28           HB3      SER  28  -4.726  -7.670  -0.724
  200    HG   SER  28           HG       SER  28  -3.782  -8.324   1.080
  201    HA   PRO  29           HA       PRO  29  -8.934  -7.635   3.343
  202    HB2  PRO  29           HB2      PRO  29  -7.506  -6.325   5.603
  203    HB3  PRO  29           HB3      PRO  29  -8.373  -7.874   5.565
  204    HG2  PRO  29           HG2      PRO  29  -5.724  -7.866   5.579
  205    HG3  PRO  29           HG3      PRO  29  -6.606  -8.989   4.510
  206    HD2  PRO  29           HD2      PRO  29  -5.252  -6.384   3.820
  207    HD3  PRO  29           HD3      PRO  29  -5.248  -7.932   2.934
  208    H    LEU  30           H        LEU  30  -7.470  -4.601   2.820
  209    HA   LEU  30           HA       LEU  30  -9.633  -3.055   4.012
  210    HB2  LEU  30           HB2      LEU  30  -7.122  -2.403   3.974
  211    HB3  LEU  30           HB3      LEU  30  -7.399  -2.005   2.270
  212    HG   LEU  30           HG       LEU  30  -8.663  -0.664   4.687
  213   HD11  LEU  30          HD11      LEU  30  -6.352  -0.021   4.277
  214   HD12  LEU  30          HD12      LEU  30  -7.441   1.304   3.858
  215   HD13  LEU  30          HD13      LEU  30  -6.725   0.313   2.585
  216   HD21  LEU  30          HD21      LEU  30 -10.277  -0.792   2.823
  217   HD22  LEU  30          HD22      LEU  30  -9.090  -0.037   1.759
  218   HD23  LEU  30          HD23      LEU  30  -9.741   0.862   3.129
  219    H    GLU  31           H        GLU  31  -8.092  -3.188   0.814
  220    HA   GLU  31           HA       GLU  31 -10.323  -1.921  -0.452
  221    HB2  GLU  31           HB2      GLU  31  -7.840  -1.789  -1.120
  222    HB3  GLU  31           HB3      GLU  31  -8.083  -3.371  -1.868
  223    HG2  GLU  31           HG2      GLU  31  -9.856  -1.070  -2.624
  224    HG3  GLU  31           HG3      GLU  31  -8.234  -1.214  -3.311
  225    H    ARG  32           H        ARG  32  -9.312  -5.214   0.037
  226    HA   ARG  32           HA       ARG  32 -11.605  -6.144  -1.575
  227    HB2  ARG  32           HB2      ARG  32  -9.005  -7.659  -1.136
  228    HB3  ARG  32           HB3      ARG  32 -10.352  -8.165  -2.157
  229    HG2  ARG  32           HG2      ARG  32  -8.654  -5.707  -2.682
  230    HG3  ARG  32           HG3      ARG  32  -8.346  -7.286  -3.397
  231    HD2  ARG  32           HD2      ARG  32 -10.699  -5.459  -3.845
  232    HD3  ARG  32           HD3      ARG  32  -9.515  -6.032  -5.008
  233    HE   ARG  32           HE       ARG  32 -11.045  -8.145  -3.801
  234   HH11  ARG  32          HH11      ARG  32 -10.924  -5.797  -6.385
  235   HH12  ARG  32          HH12      ARG  32 -12.012  -6.679  -7.408
  236   HH21  ARG  32          HH21      ARG  32 -12.464  -9.317  -5.135
  237   HH22  ARG  32          HH22      ARG  32 -12.879  -8.696  -6.702
  238    H    SER  33           H        SER  33 -12.250  -5.571   0.871
  239    HA   SER  33           HA       SER  33 -11.693  -7.519   2.858
  240    HB2  SER  33           HB2      SER  33 -14.236  -5.873   2.705
  241    HB3  SER  33           HB3      SER  33 -13.452  -6.519   4.146
  242    HG   SER  33           HG       SER  33 -11.617  -5.118   3.521
  Start of MODEL   11
    1    HA   ALA   1           HA       ALA   1 -17.071   3.055   1.339
    2    HB1  ALA   1           HB1      ALA   1 -17.364   4.303   4.068
    3    HB2  ALA   1           HB2      ALA   1 -18.373   3.025   3.395
    4    HB3  ALA   1           HB3      ALA   1 -18.384   4.631   2.669
    5    H    SER   2           H        SER   2 -14.311   3.506   1.236
    6    HA   SER   2           HA       SER   2 -14.216   6.289   0.504
    7    HB2  SER   2           HB2      SER   2 -13.803   6.316   3.029
    8    HB3  SER   2           HB3      SER   2 -12.328   5.403   2.712
    9    HG   SER   2           HG       SER   2 -11.674   7.474   2.690
   10    HA   PRO   3           HA       PRO   3 -11.747   3.069  -1.899
   11    HB2  PRO   3           HB2      PRO   3 -12.499   5.091  -3.970
   12    HB3  PRO   3           HB3      PRO   3 -12.452   3.316  -4.088
   13    HG2  PRO   3           HG2      PRO   3 -14.772   4.545  -3.843
   14    HG3  PRO   3           HG3      PRO   3 -14.444   3.069  -2.912
   15    HD2  PRO   3           HD2      PRO   3 -14.445   5.926  -1.959
   16    HD3  PRO   3           HD3      PRO   3 -15.025   4.445  -1.136
   17    H    GLN   4           H        GLN   4 -11.593   6.575  -1.774
   18    HA   GLN   4           HA       GLN   4  -9.113   6.932  -3.005
   19    HB2  GLN   4           HB2      GLN   4  -9.024   9.114  -1.977
   20    HB3  GLN   4           HB3      GLN   4 -10.663   8.788  -2.516
   21    HG2  GLN   4           HG2      GLN   4 -11.423   8.442  -0.285
   22    HG3  GLN   4           HG3      GLN   4  -9.770   8.389   0.333
   23   HE21  GLN   4          HE21      GLN   4 -10.853  10.710  -2.054
   24   HE22  GLN   4          HE22      GLN   4 -10.759  12.097  -1.019
   25    H    GLN   5           H        GLN   5  -9.890   5.888   0.238
   26    HA   GLN   5           HA       GLN   5  -7.291   6.419   1.283
   27    HB2  GLN   5           HB2      GLN   5  -7.972   5.453   3.295
   28    HB3  GLN   5           HB3      GLN   5  -9.436   6.172   2.648
   29    HG2  GLN   5           HG2      GLN   5 -10.229   4.018   1.919
   30    HG3  GLN   5           HG3      GLN   5  -8.710   3.262   2.394
   31   HE21  GLN   5          HE21      GLN   5  -8.502   4.874   4.836
   32   HE22  GLN   5          HE22      GLN   5  -9.659   4.212   5.940
   33    H    ALA   6           H        ALA   6  -8.770   3.786  -0.381
   34    HA   ALA   6           HA       ALA   6  -6.823   1.805   0.140
   35    HB1  ALA   6           HB1      ALA   6  -7.636   0.743  -1.954
   36    HB2  ALA   6           HB2      ALA   6  -8.626   2.169  -2.255
   37    HB3  ALA   6           HB3      ALA   6  -8.936   1.162  -0.839
   38    H    LYS   7           H        LYS   7  -7.110   4.325  -2.306
   39    HA   LYS   7           HA       LYS   7  -4.796   3.637  -3.768
   40    HB2  LYS   7           HB2      LYS   7  -6.593   5.160  -4.585
   41    HB3  LYS   7           HB3      LYS   7  -6.046   6.374  -3.439
   42    HG2  LYS   7           HG2      LYS   7  -5.205   6.869  -5.645
   43    HG3  LYS   7           HG3      LYS   7  -3.860   6.445  -4.552
   44    HD2  LYS   7           HD2      LYS   7  -3.871   4.145  -5.475
   45    HD3  LYS   7           HD3      LYS   7  -5.163   4.602  -6.589
   46    HE2  LYS   7           HE2      LYS   7  -2.980   4.655  -7.709
   47    HE3  LYS   7           HE3      LYS   7  -3.678   6.272  -7.609
   48    HZ1  LYS   7           HZ1      LYS   7  -1.313   6.230  -7.052
   49    HZ2  LYS   7           HZ2      LYS   7  -1.628   5.191  -5.758
   50    HZ3  LYS   7           HZ3      LYS   7  -2.252   6.764  -5.750
   51    H    TYR   8           H        TYR   8  -5.328   5.528  -0.879
   52    HA   TYR   8           HA       TYR   8  -2.779   6.717  -0.649
   53    HB2  TYR   8           HB2      TYR   8  -4.778   7.386   0.685
   54    HB3  TYR   8           HB3      TYR   8  -4.662   5.865   1.569
   55    HD1  TYR   8           HD1      TYR   8  -3.157   9.152   1.035
   56    HD2  TYR   8           HD2      TYR   8  -2.989   5.552   3.284
   57    HE1  TYR   8           HE1      TYR   8  -1.683  10.246   2.665
   58    HE2  TYR   8           HE2      TYR   8  -1.506   6.631   4.920
   59    HH   TYR   8           HH       TYR   8   0.089   8.559   4.967
   60    H    CYS   9           H        CYS   9  -4.115   3.674   0.546
   61    HA   CYS   9           HA       CYS   9  -1.875   2.843   2.025
   62    HB2  CYS   9           HB2      CYS   9  -4.148   1.834   2.204
   63    HB3  CYS   9           HB3      CYS   9  -3.917   1.078   0.620
   64    H    TYR  10           H        TYR  10  -2.839   2.097  -1.319
   65    HA   TYR  10           HA       TYR  10  -0.543   0.501  -1.845
   66    HB2  TYR  10           HB2      TYR  10  -2.579   1.799  -3.669
   67    HB3  TYR  10           HB3      TYR  10  -1.239   0.824  -4.273
   68    HD1  TYR  10           HD1      TYR  10  -1.094  -1.587  -3.575
   69    HD2  TYR  10           HD2      TYR  10  -4.557   0.781  -2.871
   70    HE1  TYR  10           HE1      TYR  10  -2.434  -3.627  -3.323
   71    HE2  TYR  10           HE2      TYR  10  -5.899  -1.248  -2.616
   72    HH   TYR  10           HH       TYR  10  -5.853  -3.574  -3.303
   73    H    GLU  11           H        GLU  11  -1.190   3.944  -2.144
   74    HA   GLU  11           HA       GLU  11   1.080   4.400  -3.812
   75    HB2  GLU  11           HB2      GLU  11  -0.849   5.964  -3.786
   76    HB3  GLU  11           HB3      GLU  11  -0.430   6.420  -2.120
   77    HG2  GLU  11           HG2      GLU  11   1.757   7.226  -2.922
   78    HG3  GLU  11           HG3      GLU  11   1.265   6.835  -4.586
   79    H    GLN  12           H        GLN  12   0.453   4.885  -0.324
   80    HA   GLN  12           HA       GLN  12   3.060   6.015   0.045
   81    HB2  GLN  12           HB2      GLN  12   0.973   5.223   2.078
   82    HB3  GLN  12           HB3      GLN  12   2.447   6.103   2.429
   83    HG2  GLN  12           HG2      GLN  12   0.314   7.052   0.554
   84    HG3  GLN  12           HG3      GLN  12   0.450   7.525   2.241
   85   HE21  GLN  12          HE21      GLN  12   1.757   7.840  -0.933
   86   HE22  GLN  12          HE22      GLN  12   2.813   9.171  -0.596
   87    H    CYS  13           H        CYS  13   1.762   2.818   0.166
   88    HA   CYS  13           HA       CYS  13   3.489   1.662   2.060
   89    HB2  CYS  13           HB2      CYS  13   2.924  -0.485   1.011
   90    HB3  CYS  13           HB3      CYS  13   1.472   0.518   1.122
   91    H    ASN  14           H        ASN  14   3.791   1.752  -1.492
   92    HA   ASN  14           HA       ASN  14   6.465   0.751  -1.470
   93    HB2  ASN  14           HB2      ASN  14   4.908   0.582  -3.443
   94    HB3  ASN  14           HB3      ASN  14   5.124   2.311  -3.703
   95   HD21  ASN  14          HD21      ASN  14   7.598  -0.024  -2.713
   96   HD22  ASN  14          HD22      ASN  14   8.572   0.166  -4.132
   97    H    VAL  15           H        VAL  15   5.085   3.946  -1.226
   98    HA   VAL  15           HA       VAL  15   7.410   5.408  -1.904
   99    HB   VAL  15           HB       VAL  15   4.977   6.167  -0.286
  100   HG11  VAL  15          HG11      VAL  15   7.265   7.955  -1.119
  101   HG12  VAL  15          HG12      VAL  15   6.882   7.470   0.531
  102   HG13  VAL  15          HG13      VAL  15   5.760   8.486  -0.371
  103   HG21  VAL  15          HG21      VAL  15   5.931   6.962  -3.043
  104   HG22  VAL  15          HG22      VAL  15   4.469   7.553  -2.254
  105   HG23  VAL  15          HG23      VAL  15   4.612   5.849  -2.681
  106    H    ASN  16           H        ASN  16   6.097   4.302   1.232
  107    HA   ASN  16           HA       ASN  16   8.235   5.365   2.775
  108    HB2  ASN  16           HB2      ASN  16   6.430   2.979   3.334
  109    HB3  ASN  16           HB3      ASN  16   7.524   3.717   4.508
  110   HD21  ASN  16          HD21      ASN  16   7.007   6.431   3.629
  111   HD22  ASN  16          HD22      ASN  16   5.417   6.822   4.188
  112    H    LYS  17           H        LYS  17   7.665   1.879   2.412
  113    HA   LYS  17           HA       LYS  17   9.643   1.325   0.582
  114    HB2  LYS  17           HB2      LYS  17  11.200   2.115   2.382
  115    HB3  LYS  17           HB3      LYS  17  10.646   0.759   3.377
  116    HG2  LYS  17           HG2      LYS  17  11.528  -0.835   1.810
  117    HG3  LYS  17           HG3      LYS  17  11.922   0.447   0.659
  118    HD2  LYS  17           HD2      LYS  17  13.528   1.404   2.220
  119    HD3  LYS  17           HD3      LYS  17  13.143   0.156   3.426
  120    HE2  LYS  17           HE2      LYS  17  15.188  -0.423   2.251
  121    HE3  LYS  17           HE3      LYS  17  13.918  -1.561   1.814
  122    HZ1  LYS  17           HZ1      LYS  17  13.592  -0.382  -0.252
  123    HZ2  LYS  17           HZ2      LYS  17  15.216  -0.831  -0.106
  124    HZ3  LYS  17           HZ3      LYS  17  14.754   0.771   0.175
  125    H    VAL  18           H        VAL  18   7.720  -0.024   0.075
  126    HA   VAL  18           HA       VAL  18   8.189  -2.654   1.243
  127    HB   VAL  18           HB       VAL  18   6.054  -3.181   1.886
  128   HG11  VAL  18          HG11      VAL  18   4.993  -1.388   3.131
  129   HG12  VAL  18          HG12      VAL  18   5.939  -0.188   2.250
  130   HG13  VAL  18          HG13      VAL  18   6.747  -1.335   3.322
  131   HG21  VAL  18          HG21      VAL  18   4.929  -1.076   0.049
  132   HG22  VAL  18          HG22      VAL  18   3.999  -2.237   1.005
  133   HG23  VAL  18          HG23      VAL  18   5.059  -2.804  -0.291
  134    HA   PRO  19           HA       PRO  19   7.789  -3.824  -3.087
  135    HB2  PRO  19           HB2      PRO  19   7.283  -6.521  -2.016
  136    HB3  PRO  19           HB3      PRO  19   8.590  -5.965  -3.078
  137    HG2  PRO  19           HG2      PRO  19   9.065  -6.628  -0.526
  138    HG3  PRO  19           HG3      PRO  19   9.925  -5.297  -1.324
  139    HD2  PRO  19           HD2      PRO  19   7.606  -5.159   0.590
  140    HD3  PRO  19           HD3      PRO  19   9.079  -4.160   0.506
  141    H    PHE  20           H        PHE  20   6.091  -4.648  -4.495
  142    HA   PHE  20           HA       PHE  20   3.558  -3.773  -3.814
  143    HB2  PHE  20           HB2      PHE  20   4.327  -4.171  -6.145
  144    HB3  PHE  20           HB3      PHE  20   4.172  -5.904  -5.875
  145    HD1  PHE  20           HD1      PHE  20   2.347  -2.744  -6.233
  146    HD2  PHE  20           HD2      PHE  20   2.023  -6.972  -5.870
  147    HE1  PHE  20           HE1      PHE  20  -0.016  -2.617  -6.908
  148    HE2  PHE  20           HE2      PHE  20  -0.341  -6.852  -6.546
  149    HZ   PHE  20           HZ       PHE  20  -1.362  -4.673  -7.064
  150    H    ASP  21           H        ASP  21   4.831  -7.076  -3.621
  151    HA   ASP  21           HA       ASP  21   2.418  -8.365  -3.009
  152    HB2  ASP  21           HB2      ASP  21   3.779 -10.207  -2.160
  153    HB3  ASP  21           HB3      ASP  21   4.436  -9.600  -3.676
  154    H    GLN  22           H        GLN  22   4.825  -6.872  -0.851
  155    HA   GLN  22           HA       GLN  22   3.445  -7.544   1.535
  156    HB2  GLN  22           HB2      GLN  22   5.800  -6.852   1.593
  157    HB3  GLN  22           HB3      GLN  22   5.354  -5.246   1.020
  158    HG2  GLN  22           HG2      GLN  22   3.930  -5.008   3.065
  159    HG3  GLN  22           HG3      GLN  22   4.635  -6.519   3.647
  160   HE21  GLN  22          HE21      GLN  22   7.259  -5.924   2.515
  161   HE22  GLN  22          HE22      GLN  22   7.954  -4.714   3.540
  162    H    CYS  23           H        CYS  23   3.281  -4.843  -0.709
  163    HA   CYS  23           HA       CYS  23   1.594  -3.187   0.839
  164    HB2  CYS  23           HB2      CYS  23   2.815  -2.507  -1.306
  165    HB3  CYS  23           HB3      CYS  23   1.526  -3.335  -2.184
  166    H    TYR  24           H        TYR  24   0.899  -5.698  -1.556
  167    HA   TYR  24           HA       TYR  24  -1.892  -5.559  -1.457
  168    HB2  TYR  24           HB2      TYR  24  -0.488  -6.904  -3.094
  169    HB3  TYR  24           HB3      TYR  24  -0.292  -8.111  -1.812
  170    HD1  TYR  24           HD1      TYR  24  -2.587  -6.620  -4.217
  171    HD2  TYR  24           HD2      TYR  24  -2.191  -9.473  -1.091
  172    HE1  TYR  24           HE1      TYR  24  -4.711  -7.642  -4.891
  173    HE2  TYR  24           HE2      TYR  24  -4.316 -10.508  -1.757
  174    HH   TYR  24           HH       TYR  24  -6.386  -9.856  -2.955
  175    H    GLN  25           H        GLN  25   0.426  -7.103   0.693
  176    HA   GLN  25           HA       GLN  25  -1.416  -8.743   2.081
  177    HB2  GLN  25           HB2      GLN  25   0.986  -9.168   2.150
  178    HB3  GLN  25           HB3      GLN  25   1.265  -7.603   2.914
  179    HG2  GLN  25           HG2      GLN  25   1.403  -9.400   4.545
  180    HG3  GLN  25           HG3      GLN  25   0.037  -8.343   4.896
  181   HE21  GLN  25          HE21      GLN  25  -1.018  -9.905   6.085
  182   HE22  GLN  25          HE22      GLN  25  -1.758 -11.291   5.358
  183    H    MET  26           H        MET  26  -0.344  -5.420   2.506
  184    HA   MET  26           HA       MET  26  -1.759  -5.171   5.016
  185    HB2  MET  26           HB2      MET  26   0.333  -4.016   4.862
  186    HB3  MET  26           HB3      MET  26  -0.139  -3.251   3.355
  187    HG2  MET  26           HG2      MET  26  -1.829  -1.936   4.541
  188    HG3  MET  26           HG3      MET  26  -1.362  -2.706   6.057
  189    HE1  MET  26           HE1      MET  26  -0.063  -0.499   3.063
  190    HE2  MET  26           HE2      MET  26   1.241  -1.674   3.241
  191    HE3  MET  26           HE3      MET  26   1.513   0.015   3.664
  192    H    CYS  27           H        CYS  27  -2.115  -4.013   1.685
  193    HA   CYS  27           HA       CYS  27  -4.358  -2.348   2.430
  194    HB2  CYS  27           HB2      CYS  27  -3.299  -2.924  -0.353
  195    HB3  CYS  27           HB3      CYS  27  -4.358  -1.588   0.145
  196    H    SER  28           H        SER  28  -4.030  -5.618   1.295
  197    HA   SER  28           HA       SER  28  -6.456  -5.783  -0.097
  198    HB2  SER  28           HB2      SER  28  -6.350  -8.247   0.287
  199    HB3  SER  28           HB3      SER  28  -4.879  -7.552  -0.403
  200    HG   SER  28           HG       SER  28  -3.816  -7.971   1.391
  201    HA   PRO  29           HA       PRO  29  -8.535  -7.061   4.197
  202    HB2  PRO  29           HB2      PRO  29  -6.905  -5.168   5.832
  203    HB3  PRO  29           HB3      PRO  29  -7.647  -6.711   6.303
  204    HG2  PRO  29           HG2      PRO  29  -5.037  -6.607   5.868
  205    HG3  PRO  29           HG3      PRO  29  -5.989  -7.982   5.252
  206    HD2  PRO  29           HD2      PRO  29  -4.926  -5.592   3.766
  207    HD3  PRO  29           HD3      PRO  29  -4.995  -7.299   3.261
  208    H    LEU  30           H        LEU  30  -7.301  -4.071   3.039
  209    HA   LEU  30           HA       LEU  30  -9.520  -2.494   4.068
  210    HB2  LEU  30           HB2      LEU  30  -7.035  -1.759   3.914
  211    HB3  LEU  30           HB3      LEU  30  -7.358  -1.557   2.184
  212    HG   LEU  30           HG       LEU  30  -8.708  -0.044   4.447
  213   HD11  LEU  30          HD11      LEU  30  -7.494   1.882   3.486
  214   HD12  LEU  30          HD12      LEU  30  -6.670   0.781   2.382
  215   HD13  LEU  30          HD13      LEU  30  -6.412   0.641   4.121
  216   HD21  LEU  30          HD21      LEU  30  -9.783   1.285   2.738
  217   HD22  LEU  30          HD22      LEU  30 -10.195  -0.414   2.490
  218   HD23  LEU  30          HD23      LEU  30  -8.987   0.360   1.465
  219    H    GLU  31           H        GLU  31  -8.023  -3.079   0.898
  220    HA   GLU  31           HA       GLU  31 -10.156  -1.800  -0.485
  221    HB2  GLU  31           HB2      GLU  31  -7.808  -1.803  -1.294
  222    HB3  GLU  31           HB3      GLU  31  -7.941  -3.537  -1.604
  223    HG2  GLU  31           HG2      GLU  31  -9.743  -3.074  -3.228
  224    HG3  GLU  31           HG3      GLU  31  -9.505  -1.342  -2.969
  225    H    ARG  32           H        ARG  32  -9.095  -5.225  -0.541
  226    HA   ARG  32           HA       ARG  32 -11.867  -5.929  -1.222
  227    HB2  ARG  32           HB2      ARG  32  -9.354  -6.865  -2.619
  228    HB3  ARG  32           HB3      ARG  32 -10.854  -7.790  -2.698
  229    HG2  ARG  32           HG2      ARG  32 -10.642  -4.900  -3.583
  230    HG3  ARG  32           HG3      ARG  32 -10.372  -6.263  -4.670
  231    HD2  ARG  32           HD2      ARG  32 -12.920  -5.396  -3.327
  232    HD3  ARG  32           HD3      ARG  32 -12.597  -5.672  -5.030
  233    HE   ARG  32           HE       ARG  32 -12.295  -8.120  -4.213
  234   HH11  ARG  32          HH11      ARG  32 -14.676  -5.819  -3.070
  235   HH12  ARG  32          HH12      ARG  32 -15.834  -7.041  -2.655
  236   HH21  ARG  32          HH21      ARG  32 -13.827  -9.724  -3.673
  237   HH22  ARG  32          HH22      ARG  32 -15.359  -9.256  -3.003
  238    H    SER  33           H        SER  33 -12.530  -6.916   0.547
  239    HA   SER  33           HA       SER  33 -11.130  -9.393   1.263
  240    HB2  SER  33           HB2      SER  33 -12.180  -7.354   3.254
  241    HB3  SER  33           HB3      SER  33 -11.668  -8.988   3.676
  242    HG   SER  33           HG       SER  33  -9.933  -7.283   2.246
  Start of MODEL   12
    1    HA   ALA   1           HA       ALA   1 -16.087  -0.114   2.147
    2    HB1  ALA   1           HB1      ALA   1 -14.666  -2.097   1.806
    3    HB2  ALA   1           HB2      ALA   1 -13.985  -0.966   2.975
    4    HB3  ALA   1           HB3      ALA   1 -13.335  -1.039   1.338
    5    H    SER   2           H        SER   2 -13.275   0.905   0.187
    6    HA   SER   2           HA       SER   2 -13.616   3.667   0.710
    7    HB2  SER   2           HB2      SER   2 -12.916   2.815   3.023
    8    HB3  SER   2           HB3      SER   2 -11.353   2.428   2.302
    9    HG   SER   2           HG       SER   2 -12.369   4.841   3.072
   10    HA   PRO   3           HA       PRO   3 -10.877   2.144  -2.788
   11    HB2  PRO   3           HB2      PRO   3 -12.238   4.393  -4.161
   12    HB3  PRO   3           HB3      PRO   3 -11.949   2.729  -4.715
   13    HG2  PRO   3           HG2      PRO   3 -14.380   3.521  -3.963
   14    HG3  PRO   3           HG3      PRO   3 -13.777   1.892  -3.595
   15    HD2  PRO   3           HD2      PRO   3 -14.028   4.264  -1.755
   16    HD3  PRO   3           HD3      PRO   3 -14.307   2.526  -1.425
   17    H    GLN   4           H        GLN   4 -11.475   5.397  -1.546
   18    HA   GLN   4           HA       GLN   4  -9.210   6.514  -2.919
   19    HB2  GLN   4           HB2      GLN   4 -10.896   7.664  -0.692
   20    HB3  GLN   4           HB3      GLN   4  -9.633   8.539  -1.538
   21    HG2  GLN   4           HG2      GLN   4 -10.915   8.198  -3.664
   22    HG3  GLN   4           HG3      GLN   4 -12.220   7.512  -2.699
   23   HE21  GLN   4          HE21      GLN   4 -10.205  10.164  -1.630
   24   HE22  GLN   4          HE22      GLN   4 -11.444  11.371  -1.683
   25    H    GLN   5           H        GLN   5  -9.914   5.652   0.445
   26    HA   GLN   5           HA       GLN   5  -7.356   6.327   1.426
   27    HB2  GLN   5           HB2      GLN   5  -9.414   4.393   2.483
   28    HB3  GLN   5           HB3      GLN   5  -7.912   4.742   3.319
   29    HG2  GLN   5           HG2      GLN   5  -8.581   7.132   3.430
   30    HG3  GLN   5           HG3      GLN   5 -10.131   6.697   2.713
   31   HE21  GLN   5          HE21      GLN   5 -10.204   4.133   4.154
   32   HE22  GLN   5          HE22      GLN   5 -10.613   4.524   5.789
   33    H    ALA   6           H        ALA   6  -8.664   3.457  -0.060
   34    HA   ALA   6           HA       ALA   6  -6.518   1.715   0.419
   35    HB1  ALA   6           HB1      ALA   6  -8.697   0.981  -0.474
   36    HB2  ALA   6           HB2      ALA   6  -7.336   0.409  -1.436
   37    HB3  ALA   6           HB3      ALA   6  -8.305   1.764  -2.004
   38    H    LYS   7           H        LYS   7  -7.101   4.046  -2.175
   39    HA   LYS   7           HA       LYS   7  -4.805   3.374  -3.681
   40    HB2  LYS   7           HB2      LYS   7  -6.717   4.668  -4.596
   41    HB3  LYS   7           HB3      LYS   7  -6.272   6.020  -3.566
   42    HG2  LYS   7           HG2      LYS   7  -5.475   6.450  -5.776
   43    HG3  LYS   7           HG3      LYS   7  -4.078   6.134  -4.714
   44    HD2  LYS   7           HD2      LYS   7  -4.062   3.773  -5.536
   45    HD3  LYS   7           HD3      LYS   7  -5.351   4.187  -6.670
   46    HE2  LYS   7           HE2      LYS   7  -3.209   4.251  -7.821
   47    HE3  LYS   7           HE3      LYS   7  -3.851   5.889  -7.685
   48    HZ1  LYS   7           HZ1      LYS   7  -1.774   4.690  -5.934
   49    HZ2  LYS   7           HZ2      LYS   7  -2.392   6.258  -5.788
   50    HZ3  LYS   7           HZ3      LYS   7  -1.500   5.826  -7.158
   51    H    TYR   8           H        TYR   8  -5.383   5.572  -1.005
   52    HA   TYR   8           HA       TYR   8  -2.878   6.869  -1.029
   53    HB2  TYR   8           HB2      TYR   8  -4.828   7.695   0.257
   54    HB3  TYR   8           HB3      TYR   8  -4.683   6.306   1.335
   55    HD1  TYR   8           HD1      TYR   8  -3.263   6.379   3.201
   56    HD2  TYR   8           HD2      TYR   8  -2.888   9.329   0.159
   57    HE1  TYR   8           HE1      TYR   8  -1.725   7.651   4.634
   58    HE2  TYR   8           HE2      TYR   8  -1.349  10.611   1.584
   59    HH   TYR   8           HH       TYR   8  -0.809  10.870   3.935
   60    H    CYS   9           H        CYS   9  -4.051   3.983   0.670
   61    HA   CYS   9           HA       CYS   9  -1.724   3.354   2.077
   62    HB2  CYS   9           HB2      CYS   9  -3.717   2.099   2.574
   63    HB3  CYS   9           HB3      CYS   9  -3.853   1.533   0.903
   64    H    TYR  10           H        TYR  10  -2.743   2.274  -1.136
   65    HA   TYR  10           HA       TYR  10  -0.387   0.751  -1.597
   66    HB2  TYR  10           HB2      TYR  10  -2.678   1.651  -3.338
   67    HB3  TYR  10           HB3      TYR  10  -1.275   0.826  -4.024
   68    HD1  TYR  10           HD1      TYR  10  -4.353   0.427  -2.154
   69    HD2  TYR  10           HD2      TYR  10  -0.708  -1.454  -3.264
   70    HE1  TYR  10           HE1      TYR  10  -5.296  -1.751  -1.548
   71    HE2  TYR  10           HE2      TYR  10  -1.639  -3.625  -2.667
   72    HH   TYR  10           HH       TYR  10  -4.819  -4.235  -2.280
   73    H    GLU  11           H        GLU  11  -1.131   4.092  -2.005
   74    HA   GLU  11           HA       GLU  11   1.018   4.577  -3.838
   75    HB2  GLU  11           HB2      GLU  11  -0.936   6.077  -3.768
   76    HB3  GLU  11           HB3      GLU  11  -0.538   6.521  -2.096
   77    HG2  GLU  11           HG2      GLU  11   1.588   7.477  -2.885
   78    HG3  GLU  11           HG3      GLU  11   1.113   7.090  -4.556
   79    H    GLN  12           H        GLN  12   0.547   5.032  -0.322
   80    HA   GLN  12           HA       GLN  12   3.148   6.240  -0.079
   81    HB2  GLN  12           HB2      GLN  12   1.178   5.475   2.083
   82    HB3  GLN  12           HB3      GLN  12   2.606   6.468   2.289
   83    HG2  GLN  12           HG2      GLN  12   0.322   7.155   0.483
   84    HG3  GLN  12           HG3      GLN  12   0.508   7.740   2.130
   85   HE21  GLN  12          HE21      GLN  12   1.707   7.877  -1.104
   86   HE22  GLN  12          HE22      GLN  12   2.661   9.311  -0.915
   87    H    CYS  13           H        CYS  13   1.899   3.031   0.177
   88    HA   CYS  13           HA       CYS  13   3.598   2.018   2.167
   89    HB2  CYS  13           HB2      CYS  13   3.078  -0.216   1.215
   90    HB3  CYS  13           HB3      CYS  13   1.627   0.775   1.410
   91    H    ASN  14           H        ASN  14   3.995   1.834  -1.387
   92    HA   ASN  14           HA       ASN  14   6.660   0.829  -1.171
   93    HB2  ASN  14           HB2      ASN  14   6.792   1.320  -3.624
   94    HB3  ASN  14           HB3      ASN  14   5.421   0.326  -3.164
   95   HD21  ASN  14          HD21      ASN  14   6.394   3.532  -4.274
   96   HD22  ASN  14          HD22      ASN  14   4.805   4.019  -4.757
   97    H    VAL  15           H        VAL  15   5.292   4.037  -1.321
   98    HA   VAL  15           HA       VAL  15   7.654   5.453  -1.914
   99    HB   VAL  15           HB       VAL  15   5.176   6.293  -0.400
  100   HG11  VAL  15          HG11      VAL  15   7.058   7.638   0.393
  101   HG12  VAL  15          HG12      VAL  15   5.965   8.607  -0.597
  102   HG13  VAL  15          HG13      VAL  15   7.489   8.031  -1.272
  103   HG21  VAL  15          HG21      VAL  15   4.700   7.573  -2.439
  104   HG22  VAL  15          HG22      VAL  15   4.865   5.852  -2.789
  105   HG23  VAL  15          HG23      VAL  15   6.183   6.960  -3.172
  106    H    ASN  16           H        ASN  16   6.305   4.219   1.115
  107    HA   ASN  16           HA       ASN  16   8.406   5.345   2.722
  108    HB2  ASN  16           HB2      ASN  16   6.460   3.093   3.321
  109    HB3  ASN  16           HB3      ASN  16   7.577   3.803   4.492
  110   HD21  ASN  16          HD21      ASN  16   7.208   6.496   3.359
  111   HD22  ASN  16          HD22      ASN  16   5.654   7.019   3.913
  112    H    LYS  17           H        LYS  17   7.669   1.881   2.389
  113    HA   LYS  17           HA       LYS  17   9.823   1.176   0.801
  114    HB2  LYS  17           HB2      LYS  17  11.155   1.953   2.796
  115    HB3  LYS  17           HB3      LYS  17  10.421   0.630   3.712
  116    HG2  LYS  17           HG2      LYS  17  11.413  -0.993   2.157
  117    HG3  LYS  17           HG3      LYS  17  12.168   0.335   1.266
  118    HD2  LYS  17           HD2      LYS  17  13.407   1.010   3.259
  119    HD3  LYS  17           HD3      LYS  17  12.660  -0.301   4.196
  120    HE2  LYS  17           HE2      LYS  17  14.847  -1.020   3.529
  121    HE3  LYS  17           HE3      LYS  17  13.677  -1.908   2.552
  122    HZ1  LYS  17           HZ1      LYS  17  14.073  -0.334   0.746
  123    HZ2  LYS  17           HZ2      LYS  17  15.498  -1.123   1.200
  124    HZ3  LYS  17           HZ3      LYS  17  15.225   0.472   1.686
  125    H    VAL  18           H        VAL  18   7.867  -0.082   0.114
  126    HA   VAL  18           HA       VAL  18   8.122  -2.739   1.256
  127    HB   VAL  18           HB       VAL  18   5.983  -3.170   1.938
  128   HG11  VAL  18          HG11      VAL  18   4.957  -1.356   3.181
  129   HG12  VAL  18          HG12      VAL  18   5.936  -0.177   2.308
  130   HG13  VAL  18          HG13      VAL  18   6.711  -1.346   3.378
  131   HG21  VAL  18          HG21      VAL  18   3.950  -2.149   1.069
  132   HG22  VAL  18          HG22      VAL  18   4.976  -2.787  -0.222
  133   HG23  VAL  18          HG23      VAL  18   4.921  -1.048   0.086
  134    HA   PRO  19           HA       PRO  19   7.617  -3.716  -3.113
  135    HB2  PRO  19           HB2      PRO  19   6.916  -6.419  -2.217
  136    HB3  PRO  19           HB3      PRO  19   8.294  -5.891  -3.199
  137    HG2  PRO  19           HG2      PRO  19   8.587  -6.751  -0.656
  138    HG3  PRO  19           HG3      PRO  19   9.625  -5.509  -1.379
  139    HD2  PRO  19           HD2      PRO  19   7.334  -5.172   0.526
  140    HD3  PRO  19           HD3      PRO  19   8.887  -4.311   0.440
  141    H    PHE  20           H        PHE  20   5.868  -4.283  -4.557
  142    HA   PHE  20           HA       PHE  20   3.351  -3.412  -3.810
  143    HB2  PHE  20           HB2      PHE  20   4.093  -3.678  -6.169
  144    HB3  PHE  20           HB3      PHE  20   3.925  -5.421  -6.007
  145    HD1  PHE  20           HD1      PHE  20   2.154  -2.241  -6.283
  146    HD2  PHE  20           HD2      PHE  20   1.733  -6.462  -5.937
  147    HE1  PHE  20           HE1      PHE  20  -0.208  -2.059  -6.946
  148    HE2  PHE  20           HE2      PHE  20  -0.629  -6.284  -6.600
  149    HZ   PHE  20           HZ       PHE  20  -1.602  -4.080  -7.105
  150    H    ASP  21           H        ASP  21   4.523  -6.771  -3.920
  151    HA   ASP  21           HA       ASP  21   2.088  -8.012  -3.307
  152    HB2  ASP  21           HB2      ASP  21   3.450  -9.948  -2.567
  153    HB3  ASP  21           HB3      ASP  21   3.941  -9.328  -4.140
  154    H    GLN  22           H        GLN  22   4.630  -6.795  -1.159
  155    HA   GLN  22           HA       GLN  22   3.388  -7.621   1.242
  156    HB2  GLN  22           HB2      GLN  22   5.770  -6.993   1.119
  157    HB3  GLN  22           HB3      GLN  22   5.306  -5.327   0.783
  158    HG2  GLN  22           HG2      GLN  22   4.177  -5.234   2.973
  159    HG3  GLN  22           HG3      GLN  22   4.759  -6.870   3.307
  160   HE21  GLN  22          HE21      GLN  22   5.288  -4.368   4.710
  161   HE22  GLN  22          HE22      GLN  22   7.010  -4.178   4.715
  162    H    CYS  23           H        CYS  23   3.137  -4.730  -0.751
  163    HA   CYS  23           HA       CYS  23   1.597  -3.186   1.054
  164    HB2  CYS  23           HB2      CYS  23   2.701  -2.357  -1.112
  165    HB3  CYS  23           HB3      CYS  23   1.319  -3.057  -1.959
  166    H    TYR  24           H        TYR  24   0.703  -5.495  -1.470
  167    HA   TYR  24           HA       TYR  24  -2.082  -5.384  -1.094
  168    HB2  TYR  24           HB2      TYR  24  -0.889  -6.530  -3.019
  169    HB3  TYR  24           HB3      TYR  24  -0.490  -7.838  -1.896
  170    HD1  TYR  24           HD1      TYR  24  -3.311  -6.050  -3.498
  171    HD2  TYR  24           HD2      TYR  24  -2.060  -9.537  -1.410
  172    HE1  TYR  24           HE1      TYR  24  -5.473  -7.105  -3.983
  173    HE2  TYR  24           HE2      TYR  24  -4.219 -10.604  -1.893
  174    HH   TYR  24           HH       TYR  24  -6.449  -9.345  -4.161
  175    H    GLN  25           H        GLN  25   0.443  -6.999   0.713
  176    HA   GLN  25           HA       GLN  25  -1.230  -8.936   1.956
  177    HB2  GLN  25           HB2      GLN  25   1.429  -7.767   2.837
  178    HB3  GLN  25           HB3      GLN  25   0.630  -9.086   3.676
  179    HG2  GLN  25           HG2      GLN  25   0.827 -10.488   1.654
  180    HG3  GLN  25           HG3      GLN  25   1.635  -9.167   0.816
  181   HE21  GLN  25          HE21      GLN  25   3.031  -8.395   3.335
  182   HE22  GLN  25          HE22      GLN  25   4.313  -9.550   3.490
  183    H    MET  26           H        MET  26  -0.345  -5.637   2.726
  184    HA   MET  26           HA       MET  26  -1.517  -5.759   5.353
  185    HB2  MET  26           HB2      MET  26   0.371  -4.365   5.219
  186    HB3  MET  26           HB3      MET  26  -0.173  -3.631   3.720
  187    HG2  MET  26           HG2      MET  26  -1.945  -2.454   4.939
  188    HG3  MET  26           HG3      MET  26  -1.382  -3.180   6.443
  189    HE1  MET  26           HE1      MET  26   1.307  -0.336   3.978
  190    HE2  MET  26           HE2      MET  26  -0.167  -1.071   3.347
  191    HE3  MET  26           HE3      MET  26   1.247  -2.071   3.684
  192    H    CYS  27           H        CYS  27  -2.365  -4.194   2.258
  193    HA   CYS  27           HA       CYS  27  -4.827  -3.277   3.560
  194    HB2  CYS  27           HB2      CYS  27  -3.319  -2.203   1.183
  195    HB3  CYS  27           HB3      CYS  27  -5.008  -1.754   1.496
  196    H    SER  28           H        SER  28  -4.085  -5.924   1.842
  197    HA   SER  28           HA       SER  28  -6.079  -6.125  -0.064
  198    HB2  SER  28           HB2      SER  28  -6.132  -8.633   0.652
  199    HB3  SER  28           HB3      SER  28  -4.667  -7.955  -0.073
  200    HG   SER  28           HG       SER  28  -3.656  -8.056   1.804
  201    HA   PRO  29           HA       PRO  29  -9.279  -7.390   3.433
  202    HB2  PRO  29           HB2      PRO  29  -8.135  -5.759   5.644
  203    HB3  PRO  29           HB3      PRO  29  -8.967  -7.326   5.713
  204    HG2  PRO  29           HG2      PRO  29  -6.336  -7.229   6.033
  205    HG3  PRO  29           HG3      PRO  29  -7.069  -8.515   5.038
  206    HD2  PRO  29           HD2      PRO  29  -5.686  -5.988   4.149
  207    HD3  PRO  29           HD3      PRO  29  -5.548  -7.641   3.496
  208    H    LEU  30           H        LEU  30  -7.713  -4.438   2.766
  209    HA   LEU  30           HA       LEU  30 -10.007  -2.768   3.446
  210    HB2  LEU  30           HB2      LEU  30  -7.478  -2.198   3.780
  211    HB3  LEU  30           HB3      LEU  30  -7.497  -1.862   2.042
  212    HG   LEU  30           HG       LEU  30  -9.069  -0.413   4.197
  213   HD11  LEU  30          HD11      LEU  30  -7.682   1.506   3.439
  214   HD12  LEU  30          HD12      LEU  30  -6.769   0.395   2.416
  215   HD13  LEU  30          HD13      LEU  30  -6.745   0.203   4.168
  216   HD21  LEU  30          HD21      LEU  30  -9.815   1.093   2.408
  217   HD22  LEU  30          HD22      LEU  30 -10.415  -0.549   2.163
  218   HD23  LEU  30          HD23      LEU  30  -9.057   0.045   1.209
  219    H    GLU  31           H        GLU  31  -7.952  -3.357   0.623
  220    HA   GLU  31           HA       GLU  31  -9.816  -2.096  -1.172
  221    HB2  GLU  31           HB2      GLU  31  -7.208  -2.149  -1.262
  222    HB3  GLU  31           HB3      GLU  31  -7.433  -3.729  -2.021
  223    HG2  GLU  31           HG2      GLU  31  -8.740  -1.247  -3.116
  224    HG3  GLU  31           HG3      GLU  31  -7.088  -1.709  -3.543
  225    H    ARG  32           H        ARG  32  -8.538  -5.386  -0.820
  226    HA   ARG  32           HA       ARG  32  -9.402  -7.447  -1.252
  227    HB2  ARG  32           HB2      ARG  32 -11.227  -6.763   0.194
  228    HB3  ARG  32           HB3      ARG  32 -12.006  -5.899  -1.138
  229    HG2  ARG  32           HG2      ARG  32 -12.368  -8.046  -2.308
  230    HG3  ARG  32           HG3      ARG  32 -11.607  -8.899  -0.966
  231    HD2  ARG  32           HD2      ARG  32 -14.164  -8.812  -1.040
  232    HD3  ARG  32           HD3      ARG  32 -13.378  -8.443   0.490
  233    HE   ARG  32           HE       ARG  32 -13.657  -6.002  -0.423
  234   HH11  ARG  32          HH11      ARG  32 -15.933  -8.635  -0.724
  235   HH12  ARG  32          HH12      ARG  32 -17.327  -7.608  -0.652
  236   HH21  ARG  32          HH21      ARG  32 -15.480  -4.641  -0.332
  237   HH22  ARG  32          HH22      ARG  32 -17.070  -5.329  -0.432
  238    H    SER  33           H        SER  33  -8.512  -7.836  -3.221
  239    HA   SER  33           HA       SER  33 -10.419  -7.846  -5.422
  240    HB2  SER  33           HB2      SER  33  -8.439  -7.126  -6.952
  241    HB3  SER  33           HB3      SER  33  -9.297  -5.877  -6.050
  242    HG   SER  33           HG       SER  33  -7.562  -5.483  -4.940
  Start of MODEL   13
    1    HA   ALA   1           HA       ALA   1 -16.583   2.864  -0.832
    2    HB1  ALA   1           HB1      ALA   1 -18.804   3.264  -1.784
    3    HB2  ALA   1           HB2      ALA   1 -17.554   4.157  -2.651
    4    HB3  ALA   1           HB3      ALA   1 -18.605   4.994  -1.510
    5    H    SER   2           H        SER   2 -14.605   3.663  -0.999
    6    HA   SER   2           HA       SER   2 -14.078   6.475  -1.165
    7    HB2  SER   2           HB2      SER   2 -14.395   6.041   1.365
    8    HB3  SER   2           HB3      SER   2 -12.895   5.119   1.272
    9    HG   SER   2           HG       SER   2 -12.728   7.421   1.849
   10    HA   PRO   3           HA       PRO   3 -11.237   3.310  -3.160
   11    HB2  PRO   3           HB2      PRO   3 -11.295   5.363  -5.304
   12    HB3  PRO   3           HB3      PRO   3 -11.459   3.598  -5.418
   13    HG2  PRO   3           HG2      PRO   3 -13.574   5.188  -5.720
   14    HG3  PRO   3           HG3      PRO   3 -13.700   3.634  -4.868
   15    HD2  PRO   3           HD2      PRO   3 -13.594   6.415  -3.707
   16    HD3  PRO   3           HD3      PRO   3 -14.547   4.991  -3.181
   17    H    GLN   4           H        GLN   4 -10.999   6.694  -2.464
   18    HA   GLN   4           HA       GLN   4  -8.282   7.023  -3.256
   19    HB2  GLN   4           HB2      GLN   4 -10.014   8.635  -1.387
   20    HB3  GLN   4           HB3      GLN   4  -8.363   9.075  -1.804
   21    HG2  GLN   4           HG2      GLN   4 -10.627   8.777  -3.783
   22    HG3  GLN   4           HG3      GLN   4 -10.027  10.307  -3.145
   23   HE21  GLN   4          HE21      GLN   4  -7.236   9.450  -3.195
   24   HE22  GLN   4          HE22      GLN   4  -6.763   9.469  -4.863
   25    H    GLN   5           H        GLN   5  -9.857   6.100  -0.250
   26    HA   GLN   5           HA       GLN   5  -7.550   6.304   1.367
   27    HB2  GLN   5           HB2      GLN   5  -8.745   5.192   3.075
   28    HB3  GLN   5           HB3      GLN   5  -9.946   6.118   2.189
   29    HG2  GLN   5           HG2      GLN   5 -10.664   4.104   1.022
   30    HG3  GLN   5           HG3      GLN   5  -9.419   3.174   1.849
   31   HE21  GLN   5          HE21      GLN   5 -11.241   5.691   3.442
   32   HE22  GLN   5          HE22      GLN   5 -12.155   4.641   4.470
   33    H    ALA   6           H        ALA   6  -8.836   3.729  -0.608
   34    HA   ALA   6           HA       ALA   6  -6.892   1.778   0.129
   35    HB1  ALA   6           HB1      ALA   6  -7.587   0.627  -1.969
   36    HB2  ALA   6           HB2      ALA   6  -8.620   2.006  -2.336
   37    HB3  ALA   6           HB3      ALA   6  -8.934   1.029  -0.902
   38    H    LYS   7           H        LYS   7  -7.145   4.129  -2.486
   39    HA   LYS   7           HA       LYS   7  -4.824   3.430  -3.891
   40    HB2  LYS   7           HB2      LYS   7  -6.490   4.912  -4.856
   41    HB3  LYS   7           HB3      LYS   7  -6.221   6.101  -3.592
   42    HG2  LYS   7           HG2      LYS   7  -5.171   6.845  -5.604
   43    HG3  LYS   7           HG3      LYS   7  -3.914   6.420  -4.415
   44    HD2  LYS   7           HD2      LYS   7  -3.710   4.189  -5.535
   45    HD3  LYS   7           HD3      LYS   7  -4.835   4.750  -6.779
   46    HE2  LYS   7           HE2      LYS   7  -2.514   5.001  -7.531
   47    HE3  LYS   7           HE3      LYS   7  -3.286   6.575  -7.339
   48    HZ1  LYS   7           HZ1      LYS   7  -2.201   6.795  -5.173
   49    HZ2  LYS   7           HZ2      LYS   7  -1.068   6.583  -6.414
   50    HZ3  LYS   7           HZ3      LYS   7  -1.453   5.293  -5.395
   51    H    TYR   8           H        TYR   8  -5.344   5.560  -1.152
   52    HA   TYR   8           HA       TYR   8  -2.741   6.651  -1.002
   53    HB2  TYR   8           HB2      TYR   8  -4.844   7.535   0.096
   54    HB3  TYR   8           HB3      TYR   8  -4.705   6.221   1.263
   55    HD1  TYR   8           HD1      TYR   8  -3.049   9.276   0.009
   56    HD2  TYR   8           HD2      TYR   8  -3.284   6.400   3.131
   57    HE1  TYR   8           HE1      TYR   8  -1.650  10.714   1.428
   58    HE2  TYR   8           HE2      TYR   8  -1.880   7.823   4.561
   59    HH   TYR   8           HH       TYR   8  -0.107   9.677   4.150
   60    H    CYS   9           H        CYS   9  -4.231   3.779   0.403
   61    HA   CYS   9           HA       CYS   9  -2.199   3.097   2.224
   62    HB2  CYS   9           HB2      CYS   9  -4.528   2.098   2.099
   63    HB3  CYS   9           HB3      CYS   9  -3.969   1.121   0.735
   64    H    TYR  10           H        TYR  10  -2.685   2.224  -1.166
   65    HA   TYR  10           HA       TYR  10  -0.440   0.459  -1.259
   66    HB2  TYR  10           HB2      TYR  10  -2.251   1.612  -3.383
   67    HB3  TYR  10           HB3      TYR  10  -0.860   0.596  -3.780
   68    HD1  TYR  10           HD1      TYR  10  -0.781  -1.733  -2.966
   69    HD2  TYR  10           HD2      TYR  10  -4.276   0.653  -2.552
   70    HE1  TYR  10           HE1      TYR  10  -2.113  -3.749  -2.609
   71    HE2  TYR  10           HE2      TYR  10  -5.613  -1.362  -2.188
   72    HH   TYR  10           HH       TYR  10  -5.455  -3.815  -2.790
   73    H    GLU  11           H        GLU  11  -0.958   3.842  -2.245
   74    HA   GLU  11           HA       GLU  11   1.529   3.998  -3.610
   75    HB2  GLU  11           HB2      GLU  11   1.117   6.378  -3.776
   76    HB3  GLU  11           HB3      GLU  11  -0.359   5.472  -4.145
   77    HG2  GLU  11           HG2      GLU  11  -1.226   5.973  -1.941
   78    HG3  GLU  11           HG3      GLU  11   0.266   6.867  -1.553
   79    H    GLN  12           H        GLN  12   0.510   4.772  -0.313
   80    HA   GLN  12           HA       GLN  12   2.944   6.002   0.420
   81    HB2  GLN  12           HB2      GLN  12   0.738   4.727   2.016
   82    HB3  GLN  12           HB3      GLN  12   2.179   5.369   2.787
   83    HG2  GLN  12           HG2      GLN  12   0.660   7.069   0.887
   84    HG3  GLN  12           HG3      GLN  12   0.050   6.824   2.516
   85   HE21  GLN  12          HE21      GLN  12   3.466   6.823   1.887
   86   HE22  GLN  12          HE22      GLN  12   3.801   8.349   2.633
   87    H    CYS  13           H        CYS  13   2.024   2.687   0.039
   88    HA   CYS  13           HA       CYS  13   3.942   1.462   1.647
   89    HB2  CYS  13           HB2      CYS  13   2.641   0.600  -0.936
   90    HB3  CYS  13           HB3      CYS  13   3.868  -0.393  -0.146
   91    H    ASN  14           H        ASN  14   4.242   2.379  -1.816
   92    HA   ASN  14           HA       ASN  14   7.009   1.656  -1.855
   93    HB2  ASN  14           HB2      ASN  14   7.011   2.800  -4.102
   94    HB3  ASN  14           HB3      ASN  14   5.830   1.512  -3.922
   95   HD21  ASN  14          HD21      ASN  14   6.219   5.035  -4.044
   96   HD22  ASN  14          HD22      ASN  14   4.569   5.354  -4.452
   97    H    VAL  15           H        VAL  15   5.248   4.566  -1.154
   98    HA   VAL  15           HA       VAL  15   7.403   6.378  -1.335
   99    HB   VAL  15           HB       VAL  15   4.891   6.508   0.345
  100   HG11  VAL  15          HG11      VAL  15   6.623   7.897   1.363
  101   HG12  VAL  15          HG12      VAL  15   5.380   8.904   0.618
  102   HG13  VAL  15          HG13      VAL  15   6.929   8.675  -0.191
  103   HG21  VAL  15          HG21      VAL  15   4.493   6.549  -2.071
  104   HG22  VAL  15          HG22      VAL  15   5.648   7.871  -2.246
  105   HG23  VAL  15          HG23      VAL  15   4.148   8.124  -1.353
  106    H    ASN  16           H        ASN  16   6.246   4.270   1.284
  107    HA   ASN  16           HA       ASN  16   8.234   5.313   3.114
  108    HB2  ASN  16           HB2      ASN  16   6.469   2.850   3.345
  109    HB3  ASN  16           HB3      ASN  16   7.491   3.503   4.629
  110   HD21  ASN  16          HD21      ASN  16   6.888   6.271   3.938
  111   HD22  ASN  16          HD22      ASN  16   5.273   6.549   4.499
  112    H    LYS  17           H        LYS  17   7.705   1.896   2.369
  113    HA   LYS  17           HA       LYS  17   9.723   1.395   0.599
  114    HB2  LYS  17           HB2      LYS  17  10.727   1.475   3.377
  115    HB3  LYS  17           HB3      LYS  17  11.179   0.047   2.439
  116    HG2  LYS  17           HG2      LYS  17  12.159   1.483   0.716
  117    HG3  LYS  17           HG3      LYS  17  11.687   2.919   1.634
  118    HD2  LYS  17           HD2      LYS  17  13.080   1.996   3.555
  119    HD3  LYS  17           HD3      LYS  17  13.677   0.779   2.405
  120    HE2  LYS  17           HE2      LYS  17  13.949   3.775   2.133
  121    HE3  LYS  17           HE3      LYS  17  15.234   2.643   2.548
  122    HZ1  LYS  17           HZ1      LYS  17  14.980   1.617   0.377
  123    HZ2  LYS  17           HZ2      LYS  17  15.318   3.267   0.218
  124    HZ3  LYS  17           HZ3      LYS  17  13.743   2.700  -0.021
  125    H    VAL  18           H        VAL  18   7.895   0.032  -0.050
  126    HA   VAL  18           HA       VAL  18   8.209  -2.629   0.962
  127    HB   VAL  18           HB       VAL  18   6.588  -2.664   2.510
  128   HG11  VAL  18          HG11      VAL  18   6.634  -0.244   2.720
  129   HG12  VAL  18          HG12      VAL  18   4.992  -0.861   2.913
  130   HG13  VAL  18          HG13      VAL  18   5.475  -0.094   1.401
  131   HG21  VAL  18          HG21      VAL  18   4.282  -2.908   1.759
  132   HG22  VAL  18          HG22      VAL  18   5.391  -3.746   0.670
  133   HG23  VAL  18          HG23      VAL  18   4.704  -2.194   0.201
  134    HA   PRO  19           HA       PRO  19   7.312  -3.397  -3.343
  135    HB2  PRO  19           HB2      PRO  19   6.981  -6.181  -2.415
  136    HB3  PRO  19           HB3      PRO  19   8.102  -5.524  -3.622
  137    HG2  PRO  19           HG2      PRO  19   8.965  -6.336  -1.215
  138    HG3  PRO  19           HG3      PRO  19   9.677  -4.942  -2.050
  139    HD2  PRO  19           HD2      PRO  19   7.734  -4.981   0.238
  140    HD3  PRO  19           HD3      PRO  19   9.115  -3.901  -0.077
  141    H    PHE  20           H        PHE  20   5.489  -4.032  -4.635
  142    HA   PHE  20           HA       PHE  20   3.036  -3.360  -3.535
  143    HB2  PHE  20           HB2      PHE  20   3.557  -3.310  -5.972
  144    HB3  PHE  20           HB3      PHE  20   3.410  -5.064  -6.006
  145    HD1  PHE  20           HD1      PHE  20   1.264  -6.131  -5.922
  146    HD2  PHE  20           HD2      PHE  20   1.607  -1.905  -5.585
  147    HE1  PHE  20           HE1      PHE  20  -1.161  -5.911  -6.269
  148    HE2  PHE  20           HE2      PHE  20  -0.816  -1.677  -5.931
  149    HZ   PHE  20           HZ       PHE  20  -2.204  -3.680  -6.272
  150    H    ASP  21           H        ASP  21   4.331  -6.615  -4.129
  151    HA   ASP  21           HA       ASP  21   1.969  -8.019  -3.546
  152    HB2  ASP  21           HB2      ASP  21   3.379  -9.999  -3.284
  153    HB3  ASP  21           HB3      ASP  21   3.867  -9.073  -4.699
  154    H    GLN  22           H        GLN  22   4.616  -6.985  -1.442
  155    HA   GLN  22           HA       GLN  22   3.507  -8.143   0.908
  156    HB2  GLN  22           HB2      GLN  22   5.865  -7.624   0.846
  157    HB3  GLN  22           HB3      GLN  22   5.531  -5.926   0.537
  158    HG2  GLN  22           HG2      GLN  22   4.398  -5.832   2.764
  159    HG3  GLN  22           HG3      GLN  22   4.986  -7.472   3.055
  160   HE21  GLN  22          HE21      GLN  22   7.499  -7.023   1.658
  161   HE22  GLN  22          HE22      GLN  22   8.465  -6.046   2.713
  162    H    CYS  23           H        CYS  23   3.229  -4.995  -0.672
  163    HA   CYS  23           HA       CYS  23   1.765  -3.681   1.357
  164    HB2  CYS  23           HB2      CYS  23   2.739  -2.568  -0.706
  165    HB3  CYS  23           HB3      CYS  23   1.392  -3.246  -1.618
  166    H    TYR  24           H        TYR  24   0.780  -5.735  -1.317
  167    HA   TYR  24           HA       TYR  24  -1.986  -5.545  -1.058
  168    HB2  TYR  24           HB2      TYR  24  -0.667  -6.726  -2.903
  169    HB3  TYR  24           HB3      TYR  24  -0.509  -8.088  -1.783
  170    HD1  TYR  24           HD1      TYR  24  -2.494  -9.383  -1.123
  171    HD2  TYR  24           HD2      TYR  24  -2.738  -6.252  -3.988
  172    HE1  TYR  24           HE1      TYR  24  -4.683 -10.220  -1.841
  173    HE2  TYR  24           HE2      TYR  24  -4.930  -7.078  -4.714
  174    HH   TYR  24           HH       TYR  24  -6.674  -9.467  -2.961
  175    H    GLN  25           H        GLN  25   0.347  -7.214   0.909
  176    HA   GLN  25           HA       GLN  25  -1.589  -8.979   2.099
  177    HB2  GLN  25           HB2      GLN  25   1.274  -8.293   2.788
  178    HB3  GLN  25           HB3      GLN  25   0.296  -9.359   3.795
  179    HG2  GLN  25           HG2      GLN  25   0.896  -9.843   0.867
  180    HG3  GLN  25           HG3      GLN  25   1.748 -10.592   2.215
  181   HE21  GLN  25          HE21      GLN  25   0.153 -11.737   0.041
  182   HE22  GLN  25          HE22      GLN  25  -1.080 -12.680   0.808
  183    H    MET  26           H        MET  26  -0.378  -5.781   2.727
  184    HA   MET  26           HA       MET  26  -1.600  -5.708   5.360
  185    HB2  MET  26           HB2      MET  26   0.523  -4.611   5.192
  186    HB3  MET  26           HB3      MET  26   0.002  -3.705   3.781
  187    HG2  MET  26           HG2      MET  26  -1.588  -2.453   5.169
  188    HG3  MET  26           HG3      MET  26  -1.049  -3.354   6.585
  189    HE1  MET  26           HE1      MET  26   1.738  -0.498   4.241
  190    HE2  MET  26           HE2      MET  26   0.109  -0.917   3.713
  191    HE3  MET  26           HE3      MET  26   1.384  -2.133   3.691
  192    H    CYS  27           H        CYS  27  -2.054  -4.122   2.191
  193    HA   CYS  27           HA       CYS  27  -4.322  -2.632   3.215
  194    HB2  CYS  27           HB2      CYS  27  -3.281  -2.805   0.363
  195    HB3  CYS  27           HB3      CYS  27  -4.458  -1.632   0.985
  196    H    SER  28           H        SER  28  -4.045  -5.784   2.197
  197    HA   SER  28           HA       SER  28  -6.187  -6.096   0.449
  198    HB2  SER  28           HB2      SER  28  -6.266  -8.496   1.488
  199    HB3  SER  28           HB3      SER  28  -4.876  -7.978   0.527
  200    HG   SER  28           HG       SER  28  -3.660  -8.081   2.231
  201    HA   PRO  29           HA       PRO  29  -9.129  -6.946   4.288
  202    HB2  PRO  29           HB2      PRO  29  -7.809  -5.106   6.222
  203    HB3  PRO  29           HB3      PRO  29  -8.659  -6.635   6.523
  204    HG2  PRO  29           HG2      PRO  29  -6.006  -6.564   6.633
  205    HG3  PRO  29           HG3      PRO  29  -6.837  -7.936   5.855
  206    HD2  PRO  29           HD2      PRO  29  -5.462  -5.579   4.579
  207    HD3  PRO  29           HD3      PRO  29  -5.441  -7.296   4.103
  208    H    LEU  30           H        LEU  30  -7.574  -4.079   3.262
  209    HA   LEU  30           HA       LEU  30  -9.820  -2.347   3.892
  210    HB2  LEU  30           HB2      LEU  30  -7.293  -1.748   4.051
  211    HB3  LEU  30           HB3      LEU  30  -7.384  -1.593   2.289
  212    HG   LEU  30           HG       LEU  30  -8.911   0.059   4.330
  213   HD11  LEU  30          HD11      LEU  30  -6.645   0.714   2.450
  214   HD12  LEU  30          HD12      LEU  30  -6.572   0.652   4.212
  215   HD13  LEU  30          HD13      LEU  30  -7.534   1.896   3.411
  216   HD21  LEU  30          HD21      LEU  30  -9.786   1.333   2.491
  217   HD22  LEU  30          HD22      LEU  30 -10.192  -0.364   2.225
  218   HD23  LEU  30          HD23      LEU  30  -8.869   0.380   1.327
  219    H    GLU  31           H        GLU  31  -7.916  -3.099   0.980
  220    HA   GLU  31           HA       GLU  31  -9.898  -1.912  -0.713
  221    HB2  GLU  31           HB2      GLU  31  -7.478  -1.814  -1.248
  222    HB3  GLU  31           HB3      GLU  31  -7.479  -3.566  -1.482
  223    HG2  GLU  31           HG2      GLU  31  -9.171  -3.247  -3.292
  224    HG3  GLU  31           HG3      GLU  31  -8.932  -1.503  -3.141
  225    H    ARG  32           H        ARG  32  -9.335  -5.128   0.427
  226    HA   ARG  32           HA       ARG  32 -11.185  -6.152  -1.634
  227    HB2  ARG  32           HB2      ARG  32  -9.168  -7.807  -0.084
  228    HB3  ARG  32           HB3      ARG  32 -10.149  -8.337  -1.452
  229    HG2  ARG  32           HG2      ARG  32  -7.893  -6.305  -1.574
  230    HG3  ARG  32           HG3      ARG  32  -7.784  -7.987  -2.082
  231    HD2  ARG  32           HD2      ARG  32  -9.343  -5.739  -3.348
  232    HD3  ARG  32           HD3      ARG  32  -8.066  -6.726  -4.046
  233    HE   ARG  32           HE       ARG  32 -10.115  -8.465  -3.393
  234   HH11  ARG  32          HH11      ARG  32  -9.583  -5.765  -5.555
  235   HH12  ARG  32          HH12      ARG  32 -10.774  -6.284  -6.704
  236   HH21  ARG  32          HH21      ARG  32 -11.680  -9.158  -4.921
  237   HH22  ARG  32          HH22      ARG  32 -11.965  -8.202  -6.341
  238    H    SER  33           H        SER  33 -13.126  -6.534  -0.857
  239    HA   SER  33           HA       SER  33 -13.425  -8.000   1.631
  240    HB2  SER  33           HB2      SER  33 -14.788  -5.307   1.251
  241    HB3  SER  33           HB3      SER  33 -15.047  -6.413   2.599
  242    HG   SER  33           HG       SER  33 -12.421  -5.950   2.329
  Start of MODEL   14
    1    HA   ALA   1           HA       ALA   1 -15.180   0.296   0.871
    2    HB1  ALA   1           HB1      ALA   1 -17.715   1.439   2.034
    3    HB2  ALA   1           HB2      ALA   1 -17.575  -0.073   1.135
    4    HB3  ALA   1           HB3      ALA   1 -17.255   1.464   0.331
    5    H    SER   2           H        SER   2 -13.422   1.603   0.911
    6    HA   SER   2           HA       SER   2 -13.913   4.441   1.160
    7    HB2  SER   2           HB2      SER   2 -11.925   3.066   3.008
    8    HB3  SER   2           HB3      SER   2 -11.989   4.808   2.747
    9    HG   SER   2           HG       SER   2 -14.411   3.671   3.396
   10    HA   PRO   3           HA       PRO   3 -11.069   2.713  -2.224
   11    HB2  PRO   3           HB2      PRO   3 -12.462   5.026  -3.515
   12    HB3  PRO   3           HB3      PRO   3 -11.999   3.455  -4.212
   13    HG2  PRO   3           HG2      PRO   3 -14.507   3.870  -3.546
   14    HG3  PRO   3           HG3      PRO   3 -13.726   2.331  -3.118
   15    HD2  PRO   3           HD2      PRO   3 -14.339   4.683  -1.333
   16    HD3  PRO   3           HD3      PRO   3 -14.453   2.927  -0.992
   17    H    GLN   4           H        GLN   4 -11.675   6.052  -1.168
   18    HA   GLN   4           HA       GLN   4  -9.408   7.131  -2.460
   19    HB2  GLN   4           HB2      GLN   4  -9.879   9.170  -1.377
   20    HB3  GLN   4           HB3      GLN   4 -11.434   8.418  -1.683
   21    HG2  GLN   4           HG2      GLN   4 -11.778   9.122   0.461
   22    HG3  GLN   4           HG3      GLN   4 -11.088   7.535   0.793
   23   HE21  GLN   4          HE21      GLN   4  -9.165  10.228  -0.358
   24   HE22  GLN   4          HE22      GLN   4  -8.285  10.465   1.113
   25    H    GLN   5           H        GLN   5  -9.873   5.942   0.837
   26    HA   GLN   5           HA       GLN   5  -7.213   6.688   1.597
   27    HB2  GLN   5           HB2      GLN   5  -7.632   5.787   3.718
   28    HB3  GLN   5           HB3      GLN   5  -9.188   6.412   3.197
   29    HG2  GLN   5           HG2      GLN   5  -9.998   4.224   2.721
   30    HG3  GLN   5           HG3      GLN   5  -8.390   3.527   2.913
   31   HE21  GLN   5          HE21      GLN   5  -9.583   5.993   5.058
   32   HE22  GLN   5          HE22      GLN   5  -9.774   4.970   6.440
   33    H    ALA   6           H        ALA   6  -8.740   3.887   0.269
   34    HA   ALA   6           HA       ALA   6  -6.639   2.046   0.692
   35    HB1  ALA   6           HB1      ALA   6  -8.650   2.077  -1.550
   36    HB2  ALA   6           HB2      ALA   6  -8.902   1.345   0.034
   37    HB3  ALA   6           HB3      ALA   6  -7.663   0.709  -1.049
   38    H    LYS   7           H        LYS   7  -7.341   4.351  -1.880
   39    HA   LYS   7           HA       LYS   7  -5.260   3.610  -3.626
   40    HB2  LYS   7           HB2      LYS   7  -7.181   5.135  -4.184
   41    HB3  LYS   7           HB3      LYS   7  -6.407   6.383  -3.224
   42    HG2  LYS   7           HG2      LYS   7  -5.962   6.769  -5.551
   43    HG3  LYS   7           HG3      LYS   7  -4.449   6.306  -4.727
   44    HD2  LYS   7           HD2      LYS   7  -4.694   4.009  -5.558
   45    HD3  LYS   7           HD3      LYS   7  -6.218   4.437  -6.345
   46    HE2  LYS   7           HE2      LYS   7  -4.354   4.398  -7.955
   47    HE3  LYS   7           HE3      LYS   7  -5.034   6.017  -7.792
   48    HZ1  LYS   7           HZ1      LYS   7  -2.602   5.083  -6.369
   49    HZ2  LYS   7           HZ2      LYS   7  -3.206   6.663  -6.416
   50    HZ3  LYS   7           HZ3      LYS   7  -2.579   5.954  -7.816
   51    H    TYR   8           H        TYR   8  -5.395   5.696  -0.823
   52    HA   TYR   8           HA       TYR   8  -2.801   6.808  -1.022
   53    HB2  TYR   8           HB2      TYR   8  -4.698   7.656   0.423
   54    HB3  TYR   8           HB3      TYR   8  -4.386   6.301   1.508
   55    HD1  TYR   8           HD1      TYR   8  -2.609   6.382   3.092
   56    HD2  TYR   8           HD2      TYR   8  -2.993   9.423   0.145
   57    HE1  TYR   8           HE1      TYR   8  -0.965   7.754   4.304
   58    HE2  TYR   8           HE2      TYR   8  -1.348  10.803   1.341
   59    HH   TYR   8           HH       TYR   8   0.607   9.584   3.841
   60    H    CYS   9           H        CYS   9  -4.100   3.938   0.576
   61    HA   CYS   9           HA       CYS   9  -1.757   3.118   1.897
   62    HB2  CYS   9           HB2      CYS   9  -4.093   2.203   2.265
   63    HB3  CYS   9           HB3      CYS   9  -3.896   1.274   0.773
   64    H    TYR  10           H        TYR  10  -3.042   2.257  -1.302
   65    HA   TYR  10           HA       TYR  10  -0.883   0.503  -1.936
   66    HB2  TYR  10           HB2      TYR  10  -3.121   1.722  -3.548
   67    HB3  TYR  10           HB3      TYR  10  -1.837   0.793  -4.326
   68    HD1  TYR  10           HD1      TYR  10  -4.931   0.631  -2.492
   69    HD2  TYR  10           HD2      TYR  10  -1.475  -1.583  -3.611
   70    HE1  TYR  10           HE1      TYR  10  -6.117  -1.462  -2.004
   71    HE2  TYR  10           HE2      TYR  10  -2.650  -3.674  -3.129
   72    HH   TYR  10           HH       TYR  10  -5.978  -3.880  -2.667
   73    H    GLU  11           H        GLU  11  -1.297   3.930  -2.235
   74    HA   GLU  11           HA       GLU  11   0.823   4.146  -4.189
   75    HB2  GLU  11           HB2      GLU  11  -1.113   5.683  -4.281
   76    HB3  GLU  11           HB3      GLU  11  -0.654   6.338  -2.696
   77    HG2  GLU  11           HG2      GLU  11   1.372   7.243  -3.589
   78    HG3  GLU  11           HG3      GLU  11   1.099   6.440  -5.151
   79    H    GLN  12           H        GLN  12   0.376   4.843  -0.727
   80    HA   GLN  12           HA       GLN  12   3.015   5.981  -0.530
   81    HB2  GLN  12           HB2      GLN  12   1.006   5.355   1.637
   82    HB3  GLN  12           HB3      GLN  12   2.490   6.266   1.843
   83    HG2  GLN  12           HG2      GLN  12   0.246   7.042   0.020
   84    HG3  GLN  12           HG3      GLN  12   0.508   7.681   1.635
   85   HE21  GLN  12          HE21      GLN  12   1.596   7.642  -1.635
   86   HE22  GLN  12          HE22      GLN  12   2.665   9.000  -1.518
   87    H    CYS  13           H        CYS  13   1.736   2.827  -0.338
   88    HA   CYS  13           HA       CYS  13   3.224   1.712   1.740
   89    HB2  CYS  13           HB2      CYS  13   2.802  -0.464   0.639
   90    HB3  CYS  13           HB3      CYS  13   1.345   0.537   0.675
   91    H    ASN  14           H        ASN  14   4.035   1.666  -1.756
   92    HA   ASN  14           HA       ASN  14   6.663   0.641  -1.265
   93    HB2  ASN  14           HB2      ASN  14   5.463   0.398  -3.467
   94    HB3  ASN  14           HB3      ASN  14   5.732   2.116  -3.750
   95   HD21  ASN  14          HD21      ASN  14   8.021  -0.117  -2.239
   96   HD22  ASN  14          HD22      ASN  14   9.208   0.004  -3.492
   97    H    VAL  15           H        VAL  15   5.298   3.834  -1.344
   98    HA   VAL  15           HA       VAL  15   7.685   5.295  -1.724
   99    HB   VAL  15           HB       VAL  15   5.080   6.073  -0.404
  100   HG11  VAL  15          HG11      VAL  15   7.405   7.857  -1.136
  101   HG12  VAL  15          HG12      VAL  15   6.892   7.451   0.500
  102   HG13  VAL  15          HG13      VAL  15   5.834   8.397  -0.547
  103   HG21  VAL  15          HG21      VAL  15   4.908   5.624  -2.792
  104   HG22  VAL  15          HG22      VAL  15   6.255   6.714  -3.113
  105   HG23  VAL  15          HG23      VAL  15   4.737   7.350  -2.484
  106    H    ASN  16           H        ASN  16   6.016   4.122   1.185
  107    HA   ASN  16           HA       ASN  16   7.872   5.280   3.019
  108    HB2  ASN  16           HB2      ASN  16   6.069   2.856   3.356
  109    HB3  ASN  16           HB3      ASN  16   6.938   3.672   4.659
  110   HD21  ASN  16          HD21      ASN  16   6.447   6.323   3.566
  111   HD22  ASN  16          HD22      ASN  16   4.782   6.662   3.886
  112    H    LYS  17           H        LYS  17   7.380   1.798   2.592
  113    HA   LYS  17           HA       LYS  17   9.661   1.173   1.217
  114    HB2  LYS  17           HB2      LYS  17  11.116   0.173   2.992
  115    HB3  LYS  17           HB3      LYS  17  11.057   1.937   2.999
  116    HG2  LYS  17           HG2      LYS  17  10.675   1.787   5.183
  117    HG3  LYS  17           HG3      LYS  17   9.051   1.234   4.767
  118    HD2  LYS  17           HD2      LYS  17   9.874  -1.127   4.804
  119    HD3  LYS  17           HD3      LYS  17  11.480  -0.515   5.262
  120    HE2  LYS  17           HE2      LYS  17  10.576   0.401   7.318
  121    HE3  LYS  17           HE3      LYS  17   8.950  -0.103   6.858
  122    HZ1  LYS  17           HZ1      LYS  17  11.244  -1.913   7.383
  123    HZ2  LYS  17           HZ2      LYS  17   9.697  -2.403   6.915
  124    HZ3  LYS  17           HZ3      LYS  17   9.928  -1.654   8.412
  125    H    VAL  18           H        VAL  18   7.926  -0.185   0.340
  126    HA   VAL  18           HA       VAL  18   8.065  -2.792   1.626
  127    HB   VAL  18           HB       VAL  18   5.814  -3.292   1.826
  128   HG11  VAL  18          HG11      VAL  18   6.356  -1.590   3.487
  129   HG12  VAL  18          HG12      VAL  18   4.654  -1.545   3.031
  130   HG13  VAL  18          HG13      VAL  18   5.768  -0.332   2.398
  131   HG21  VAL  18          HG21      VAL  18   3.982  -2.110   0.719
  132   HG22  VAL  18          HG22      VAL  18   5.176  -2.740  -0.422
  133   HG23  VAL  18          HG23      VAL  18   5.150  -1.017  -0.030
  134    HA   PRO  19           HA       PRO  19   8.195  -4.059  -2.708
  135    HB2  PRO  19           HB2      PRO  19   7.384  -6.691  -1.675
  136    HB3  PRO  19           HB3      PRO  19   8.857  -6.240  -2.554
  137    HG2  PRO  19           HG2      PRO  19   8.913  -6.877   0.058
  138    HG3  PRO  19           HG3      PRO  19   9.987  -5.653  -0.643
  139    HD2  PRO  19           HD2      PRO  19   7.481  -5.258   0.962
  140    HD3  PRO  19           HD3      PRO  19   9.021  -4.366   1.008
  141    H    PHE  20           H        PHE  20   6.627  -4.756  -4.305
  142    HA   PHE  20           HA       PHE  20   4.059  -3.809  -3.928
  143    HB2  PHE  20           HB2      PHE  20   5.120  -4.283  -6.149
  144    HB3  PHE  20           HB3      PHE  20   4.793  -5.993  -5.891
  145    HD1  PHE  20           HD1      PHE  20   3.312  -2.714  -6.539
  146    HD2  PHE  20           HD2      PHE  20   2.560  -6.877  -6.071
  147    HE1  PHE  20           HE1      PHE  20   1.063  -2.412  -7.486
  148    HE2  PHE  20           HE2      PHE  20   0.314  -6.582  -7.025
  149    HZ   PHE  20           HZ       PHE  20  -0.437  -4.349  -7.731
  150    H    ASP  21           H        ASP  21   5.168  -7.180  -3.655
  151    HA   ASP  21           HA       ASP  21   2.656  -8.340  -3.221
  152    HB2  ASP  21           HB2      ASP  21   3.901 -10.218  -2.174
  153    HB3  ASP  21           HB3      ASP  21   4.559  -9.739  -3.735
  154    H    GLN  22           H        GLN  22   4.956  -6.935  -0.933
  155    HA   GLN  22           HA       GLN  22   3.485  -7.504   1.412
  156    HB2  GLN  22           HB2      GLN  22   5.836  -6.861   1.476
  157    HB3  GLN  22           HB3      GLN  22   5.437  -5.277   0.819
  158    HG2  GLN  22           HG2      GLN  22   5.793  -5.070   3.166
  159    HG3  GLN  22           HG3      GLN  22   4.073  -4.832   2.825
  160   HE21  GLN  22          HE21      GLN  22   5.562  -7.993   2.836
  161   HE22  GLN  22          HE22      GLN  22   4.780  -8.559   4.272
  162    H    CYS  23           H        CYS  23   3.446  -4.827  -0.888
  163    HA   CYS  23           HA       CYS  23   1.750  -3.089   0.545
  164    HB2  CYS  23           HB2      CYS  23   3.000  -2.440  -1.552
  165    HB3  CYS  23           HB3      CYS  23   1.837  -3.394  -2.474
  166    H    TYR  24           H        TYR  24   1.023  -5.640  -1.798
  167    HA   TYR  24           HA       TYR  24  -1.768  -5.430  -1.674
  168    HB2  TYR  24           HB2      TYR  24  -0.644  -6.768  -3.406
  169    HB3  TYR  24           HB3      TYR  24  -0.062  -7.896  -2.169
  170    HD1  TYR  24           HD1      TYR  24  -1.402  -9.681  -1.441
  171    HD2  TYR  24           HD2      TYR  24  -3.134  -6.599  -3.800
  172    HE1  TYR  24           HE1      TYR  24  -3.443 -11.021  -1.683
  173    HE2  TYR  24           HE2      TYR  24  -5.180  -7.929  -4.050
  174    HH   TYR  24           HH       TYR  24  -5.805 -10.367  -3.967
  175    H    GLN  25           H        GLN  25   0.533  -7.116   0.398
  176    HA   GLN  25           HA       GLN  25  -1.361  -8.747   1.732
  177    HB2  GLN  25           HB2      GLN  25   1.377  -7.768   2.571
  178    HB3  GLN  25           HB3      GLN  25   0.413  -8.835   3.575
  179    HG2  GLN  25           HG2      GLN  25   0.440 -10.533   1.773
  180    HG3  GLN  25           HG3      GLN  25   1.458  -9.471   0.803
  181   HE21  GLN  25          HE21      GLN  25   1.285 -11.466   3.643
  182   HE22  GLN  25          HE22      GLN  25   2.992 -11.579   3.904
  183    H    MET  26           H        MET  26  -0.156  -5.501   2.376
  184    HA   MET  26           HA       MET  26  -1.536  -5.379   4.905
  185    HB2  MET  26           HB2      MET  26   0.561  -4.233   4.785
  186    HB3  MET  26           HB3      MET  26   0.072  -3.378   3.331
  187    HG2  MET  26           HG2      MET  26  -1.631  -2.162   4.650
  188    HG3  MET  26           HG3      MET  26  -1.040  -2.969   6.103
  189    HE1  MET  26           HE1      MET  26   1.570  -0.068   3.614
  190    HE2  MET  26           HE2      MET  26  -0.026  -0.621   3.111
  191    HE3  MET  26           HE3      MET  26   1.328  -1.750   3.150
  192    H    CYS  27           H        CYS  27  -1.949  -3.919   1.679
  193    HA   CYS  27           HA       CYS  27  -4.171  -2.349   2.678
  194    HB2  CYS  27           HB2      CYS  27  -3.138  -2.524  -0.166
  195    HB3  CYS  27           HB3      CYS  27  -4.204  -1.282   0.515
  196    H    SER  28           H        SER  28  -3.881  -5.450   1.169
  197    HA   SER  28           HA       SER  28  -6.277  -5.415  -0.285
  198    HB2  SER  28           HB2      SER  28  -6.215  -7.922  -0.159
  199    HB3  SER  28           HB3      SER  28  -4.750  -7.163  -0.790
  200    HG   SER  28           HG       SER  28  -3.679  -7.675   1.013
  201    HA   PRO  29           HA       PRO  29  -8.525  -7.230   3.682
  202    HB2  PRO  29           HB2      PRO  29  -6.908  -5.834   5.748
  203    HB3  PRO  29           HB3      PRO  29  -7.676  -7.434   5.810
  204    HG2  PRO  29           HG2      PRO  29  -5.046  -7.258   5.508
  205    HG3  PRO  29           HG3      PRO  29  -5.978  -8.443   4.557
  206    HD2  PRO  29           HD2      PRO  29  -4.888  -5.765   3.705
  207    HD3  PRO  29           HD3      PRO  29  -4.883  -7.319   2.831
  208    H    LEU  30           H        LEU  30  -7.173  -4.159   3.090
  209    HA   LEU  30           HA       LEU  30  -9.228  -2.648   4.475
  210    HB2  LEU  30           HB2      LEU  30  -6.748  -1.981   4.183
  211    HB3  LEU  30           HB3      LEU  30  -7.179  -1.612   2.505
  212    HG   LEU  30           HG       LEU  30  -8.267  -0.240   4.988
  213   HD11  LEU  30          HD11      LEU  30  -7.053   1.710   4.036
  214   HD12  LEU  30          HD12      LEU  30  -6.353   0.633   2.827
  215   HD13  LEU  30          HD13      LEU  30  -5.993   0.393   4.537
  216   HD21  LEU  30          HD21      LEU  30  -8.796   0.404   2.080
  217   HD22  LEU  30          HD22      LEU  30  -9.398   1.291   3.482
  218   HD23  LEU  30          HD23      LEU  30  -9.951  -0.358   3.175
  219    H    GLU  31           H        GLU  31  -8.058  -2.983   1.157
  220    HA   GLU  31           HA       GLU  31 -10.240  -1.560   0.013
  221    HB2  GLU  31           HB2      GLU  31  -7.859  -1.811  -0.900
  222    HB3  GLU  31           HB3      GLU  31  -8.356  -3.417  -1.444
  223    HG2  GLU  31           HG2      GLU  31  -9.754  -0.880  -2.300
  224    HG3  GLU  31           HG3      GLU  31  -8.401  -1.595  -3.183
  225    H    ARG  32           H        ARG  32  -9.481  -4.999   0.352
  226    HA   ARG  32           HA       ARG  32 -12.160  -5.609  -0.661
  227    HB2  ARG  32           HB2      ARG  32 -10.407  -5.788  -2.502
  228    HB3  ARG  32           HB3      ARG  32  -9.673  -7.089  -1.559
  229    HG2  ARG  32           HG2      ARG  32 -11.020  -8.073  -3.291
  230    HG3  ARG  32           HG3      ARG  32 -11.797  -8.369  -1.735
  231    HD2  ARG  32           HD2      ARG  32 -13.196  -7.581  -3.797
  232    HD3  ARG  32           HD3      ARG  32 -13.560  -6.963  -2.192
  233    HE   ARG  32           HE       ARG  32 -11.744  -5.190  -3.303
  234   HH11  ARG  32          HH11      ARG  32 -14.941  -6.382  -4.096
  235   HH12  ARG  32          HH12      ARG  32 -15.438  -4.909  -4.864
  236   HH21  ARG  32          HH21      ARG  32 -12.391  -3.245  -4.297
  237   HH22  ARG  32          HH22      ARG  32 -13.984  -3.128  -4.990
  238    H    SER  33           H        SER  33 -12.895  -6.261   1.325
  239    HA   SER  33           HA       SER  33 -11.929  -8.880   2.168
  240    HB2  SER  33           HB2      SER  33 -10.793  -7.027   3.569
  241    HB3  SER  33           HB3      SER  33 -12.389  -6.747   4.262
  242    HG   SER  33           HG       SER  33 -12.399  -8.864   5.018
  Start of MODEL   15
    1    HA   ALA   1           HA       ALA   1 -15.710   0.085   0.980
    2    HB1  ALA   1           HB1      ALA   1 -17.982   0.170   1.905
    3    HB2  ALA   1           HB2      ALA   1 -17.487   1.723   1.235
    4    HB3  ALA   1           HB3      ALA   1 -17.487   1.476   2.981
    5    H    SER   2           H        SER   2 -13.624   0.887   0.829
    6    HA   SER   2           HA       SER   2 -13.387   3.699   1.416
    7    HB2  SER   2           HB2      SER   2 -12.651   2.344   3.555
    8    HB3  SER   2           HB3      SER   2 -11.194   2.013   2.615
    9    HG   SER   2           HG       SER   2 -11.826   4.209   3.978
   10    HA   PRO   3           HA       PRO   3 -11.138   1.564  -2.264
   11    HB2  PRO   3           HB2      PRO   3 -12.677   3.606  -3.775
   12    HB3  PRO   3           HB3      PRO   3 -12.385   1.895  -4.154
   13    HG2  PRO   3           HG2      PRO   3 -14.765   2.726  -3.286
   14    HG3  PRO   3           HG3      PRO   3 -14.090   1.161  -2.790
   15    HD2  PRO   3           HD2      PRO   3 -14.268   3.716  -1.209
   16    HD3  PRO   3           HD3      PRO   3 -14.432   2.023  -0.662
   17    H    GLN   4           H        GLN   4 -11.954   5.041  -2.087
   18    HA   GLN   4           HA       GLN   4  -9.661   5.855  -3.523
   19    HB2  GLN   4           HB2      GLN   4 -11.540   7.380  -1.727
   20    HB3  GLN   4           HB3      GLN   4 -10.210   8.143  -2.584
   21    HG2  GLN   4           HG2      GLN   4 -12.209   6.526  -4.112
   22    HG3  GLN   4           HG3      GLN   4 -12.606   8.168  -3.616
   23   HE21  GLN   4          HE21      GLN   4  -9.334   7.240  -4.430
   24   HE22  GLN   4          HE22      GLN   4  -9.260   8.109  -5.921
   25    H    GLN   5           H        GLN   5 -10.353   5.773  -0.057
   26    HA   GLN   5           HA       GLN   5  -7.876   6.878   0.736
   27    HB2  GLN   5           HB2      GLN   5  -9.814   5.120   2.251
   28    HB3  GLN   5           HB3      GLN   5  -8.395   5.861   2.975
   29    HG2  GLN   5           HG2      GLN   5 -10.189   7.269   3.545
   30    HG3  GLN   5           HG3      GLN   5  -9.345   8.093   2.238
   31   HE21  GLN   5          HE21      GLN   5 -11.513   5.351   1.831
   32   HE22  GLN   5          HE22      GLN   5 -12.748   6.229   0.979
   33    H    ALA   6           H        ALA   6  -8.868   3.638  -0.080
   34    HA   ALA   6           HA       ALA   6  -6.614   2.278   0.937
   35    HB1  ALA   6           HB1      ALA   6  -7.209   0.467  -0.547
   36    HB2  ALA   6           HB2      ALA   6  -8.263   1.534  -1.471
   37    HB3  ALA   6           HB3      ALA   6  -8.666   1.126   0.199
   38    H    LYS   7           H        LYS   7  -7.190   4.056  -2.024
   39    HA   LYS   7           HA       LYS   7  -4.900   3.268  -3.449
   40    HB2  LYS   7           HB2      LYS   7  -6.742   4.535  -4.479
   41    HB3  LYS   7           HB3      LYS   7  -6.341   5.930  -3.489
   42    HG2  LYS   7           HG2      LYS   7  -5.503   6.239  -5.723
   43    HG3  LYS   7           HG3      LYS   7  -4.142   6.068  -4.585
   44    HD2  LYS   7           HD2      LYS   7  -3.940   3.683  -5.234
   45    HD3  LYS   7           HD3      LYS   7  -5.249   3.897  -6.401
   46    HE2  LYS   7           HE2      LYS   7  -3.059   4.015  -7.502
   47    HE3  LYS   7           HE3      LYS   7  -3.905   5.560  -7.601
   48    HZ1  LYS   7           HZ1      LYS   7  -2.563   6.388  -5.786
   49    HZ2  LYS   7           HZ2      LYS   7  -1.566   5.820  -7.027
   50    HZ3  LYS   7           HZ3      LYS   7  -1.788   4.892  -5.635
   51    H    TYR   8           H        TYR   8  -5.386   5.568  -0.868
   52    HA   TYR   8           HA       TYR   8  -2.869   6.859  -1.034
   53    HB2  TYR   8           HB2      TYR   8  -4.786   7.817   0.196
   54    HB3  TYR   8           HB3      TYR   8  -4.691   6.500   1.366
   55    HD1  TYR   8           HD1      TYR   8  -3.120   6.549   3.144
   56    HD2  TYR   8           HD2      TYR   8  -2.950   9.489   0.077
   57    HE1  TYR   8           HE1      TYR   8  -1.536   7.851   4.494
   58    HE2  TYR   8           HE2      TYR   8  -1.362  10.803   1.419
   59    HH   TYR   8           HH       TYR   8   0.259   9.567   4.081
   60    H    CYS   9           H        CYS   9  -4.019   3.990   0.679
   61    HA   CYS   9           HA       CYS   9  -1.626   3.432   2.069
   62    HB2  CYS   9           HB2      CYS   9  -3.589   2.173   2.679
   63    HB3  CYS   9           HB3      CYS   9  -3.783   1.559   1.030
   64    H    TYR  10           H        TYR  10  -2.791   2.362  -1.094
   65    HA   TYR  10           HA       TYR  10  -0.548   0.764  -1.704
   66    HB2  TYR  10           HB2      TYR  10  -2.787   1.932  -3.344
   67    HB3  TYR  10           HB3      TYR  10  -1.435   1.108  -4.128
   68    HD1  TYR  10           HD1      TYR  10  -1.079  -1.268  -3.811
   69    HD2  TYR  10           HD2      TYR  10  -4.432   0.674  -2.051
   70    HE1  TYR  10           HE1      TYR  10  -2.147  -3.440  -3.455
   71    HE2  TYR  10           HE2      TYR  10  -5.503  -1.497  -1.690
   72    HH   TYR  10           HH       TYR  10  -5.395  -3.793  -2.721
   73    H    GLU  11           H        GLU  11  -1.123   4.200  -2.082
   74    HA   GLU  11           HA       GLU  11   1.118   4.528  -3.836
   75    HB2  GLU  11           HB2      GLU  11   0.704   6.868  -3.750
   76    HB3  GLU  11           HB3      GLU  11  -0.881   6.075  -3.768
   77    HG2  GLU  11           HG2      GLU  11  -1.095   6.433  -1.383
   78    HG3  GLU  11           HG3      GLU  11   0.514   7.183  -1.344
   79    H    GLN  12           H        GLN  12   0.542   5.174  -0.367
   80    HA   GLN  12           HA       GLN  12   3.171   6.186   0.027
   81    HB2  GLN  12           HB2      GLN  12   1.015   5.357   1.964
   82    HB3  GLN  12           HB3      GLN  12   2.551   6.033   2.473
   83    HG2  GLN  12           HG2      GLN  12   0.918   7.491   0.470
   84    HG3  GLN  12           HG3      GLN  12   0.451   7.537   2.161
   85   HE21  GLN  12          HE21      GLN  12   3.790   7.272   1.241
   86   HE22  GLN  12          HE22      GLN  12   4.244   8.878   1.703
   87    H    CYS  13           H        CYS  13   1.808   2.987   0.152
   88    HA   CYS  13           HA       CYS  13   3.621   1.794   1.935
   89    HB2  CYS  13           HB2      CYS  13   2.959  -0.335   0.940
   90    HB3  CYS  13           HB3      CYS  13   1.531   0.698   1.078
   91    H    ASN  14           H        ASN  14   3.778   2.118  -1.599
   92    HA   ASN  14           HA       ASN  14   6.417   1.006  -1.759
   93    HB2  ASN  14           HB2      ASN  14   4.799   0.957  -3.663
   94    HB3  ASN  14           HB3      ASN  14   4.969   2.701  -3.822
   95   HD21  ASN  14          HD21      ASN  14   7.624   0.495  -3.078
   96   HD22  ASN  14          HD22      ASN  14   8.454   0.732  -4.576
   97    H    VAL  15           H        VAL  15   5.132   4.212  -1.280
   98    HA   VAL  15           HA       VAL  15   7.478   5.646  -1.968
   99    HB   VAL  15           HB       VAL  15   5.151   6.421  -0.200
  100   HG11  VAL  15          HG11      VAL  15   7.410   8.158  -1.209
  101   HG12  VAL  15          HG12      VAL  15   7.136   7.686   0.467
  102   HG13  VAL  15          HG13      VAL  15   5.976   8.729  -0.356
  103   HG21  VAL  15          HG21      VAL  15   5.889   7.228  -3.015
  104   HG22  VAL  15          HG22      VAL  15   4.501   7.822  -2.104
  105   HG23  VAL  15          HG23      VAL  15   4.593   6.123  -2.565
  106    H    ASN  16           H        ASN  16   6.248   4.295   1.084
  107    HA   ASN  16           HA       ASN  16   8.370   5.394   2.657
  108    HB2  ASN  16           HB2      ASN  16   6.631   2.969   3.236
  109    HB3  ASN  16           HB3      ASN  16   7.647   3.818   4.403
  110   HD21  ASN  16          HD21      ASN  16   6.928   6.452   3.297
  111   HD22  ASN  16          HD22      ASN  16   5.315   6.754   3.859
  112    H    LYS  17           H        LYS  17   7.776   1.921   2.314
  113    HA   LYS  17           HA       LYS  17   9.725   1.243   0.514
  114    HB2  LYS  17           HB2      LYS  17  10.850   1.666   3.185
  115    HB3  LYS  17           HB3      LYS  17  11.176   0.056   2.530
  116    HG2  LYS  17           HG2      LYS  17  12.119   1.101   0.503
  117    HG3  LYS  17           HG3      LYS  17  11.845   2.697   1.216
  118    HD2  LYS  17           HD2      LYS  17  13.298   1.942   3.164
  119    HD3  LYS  17           HD3      LYS  17  13.684   0.505   2.195
  120    HE2  LYS  17           HE2      LYS  17  14.217   3.375   1.412
  121    HE3  LYS  17           HE3      LYS  17  15.416   2.200   1.943
  122    HZ1  LYS  17           HZ1      LYS  17  13.766   2.008  -0.517
  123    HZ2  LYS  17           HZ2      LYS  17  14.896   0.860  -0.009
  124    HZ3  LYS  17           HZ3      LYS  17  15.406   2.408  -0.452
  125    H    VAL  18           H        VAL  18   7.810  -0.143   0.090
  126    HA   VAL  18           HA       VAL  18   8.237  -2.673   1.497
  127    HB   VAL  18           HB       VAL  18   6.033  -3.157   2.024
  128   HG11  VAL  18          HG11      VAL  18   5.036  -1.301   3.232
  129   HG12  VAL  18          HG12      VAL  18   6.073  -0.161   2.372
  130   HG13  VAL  18          HG13      VAL  18   6.786  -1.344   3.470
  131   HG21  VAL  18          HG21      VAL  18   4.061  -2.064   1.080
  132   HG22  VAL  18          HG22      VAL  18   5.101  -2.769  -0.162
  133   HG23  VAL  18          HG23      VAL  18   5.109  -1.023   0.108
  134    HA   PRO  19           HA       PRO  19   8.050  -4.264  -2.704
  135    HB2  PRO  19           HB2      PRO  19   7.094  -6.749  -1.416
  136    HB3  PRO  19           HB3      PRO  19   8.513  -6.496  -2.449
  137    HG2  PRO  19           HG2      PRO  19   8.771  -6.919   0.185
  138    HG3  PRO  19           HG3      PRO  19   9.844  -5.819  -0.700
  139    HD2  PRO  19           HD2      PRO  19   7.533  -5.157   1.093
  140    HD3  PRO  19           HD3      PRO  19   9.104  -4.340   0.904
  141    H    PHE  20           H        PHE  20   6.382  -4.902  -4.211
  142    HA   PHE  20           HA       PHE  20   3.877  -3.794  -3.687
  143    HB2  PHE  20           HB2      PHE  20   4.848  -4.212  -5.976
  144    HB3  PHE  20           HB3      PHE  20   4.410  -5.907  -5.786
  145    HD1  PHE  20           HD1      PHE  20   3.158  -2.514  -6.265
  146    HD2  PHE  20           HD2      PHE  20   2.102  -6.616  -5.855
  147    HE1  PHE  20           HE1      PHE  20   0.894  -2.009  -7.086
  148    HE2  PHE  20           HE2      PHE  20  -0.163  -6.118  -6.677
  149    HZ   PHE  20           HZ       PHE  20  -0.769  -3.812  -7.294
  150    H    ASP  21           H        ASP  21   4.906  -7.191  -3.577
  151    HA   ASP  21           HA       ASP  21   2.417  -8.341  -3.066
  152    HB2  ASP  21           HB2      ASP  21   3.703 -10.201  -1.988
  153    HB3  ASP  21           HB3      ASP  21   4.263  -9.777  -3.602
  154    H    GLN  22           H        GLN  22   4.776  -6.949  -0.829
  155    HA   GLN  22           HA       GLN  22   3.381  -7.533   1.547
  156    HB2  GLN  22           HB2      GLN  22   5.729  -6.878   1.561
  157    HB3  GLN  22           HB3      GLN  22   5.308  -5.284   0.936
  158    HG2  GLN  22           HG2      GLN  22   5.686  -5.084   3.269
  159    HG3  GLN  22           HG3      GLN  22   3.947  -4.916   2.981
  160   HE21  GLN  22          HE21      GLN  22   6.454  -6.894   4.318
  161   HE22  GLN  22          HE22      GLN  22   5.417  -7.954   5.214
  162    H    CYS  23           H        CYS  23   3.331  -4.755  -0.644
  163    HA   CYS  23           HA       CYS  23   1.596  -3.134   0.868
  164    HB2  CYS  23           HB2      CYS  23   2.895  -2.371  -1.178
  165    HB3  CYS  23           HB3      CYS  23   1.697  -3.217  -2.161
  166    H    TYR  24           H        TYR  24   0.962  -5.559  -1.608
  167    HA   TYR  24           HA       TYR  24  -1.837  -5.366  -1.614
  168    HB2  TYR  24           HB2      TYR  24  -0.562  -6.585  -3.347
  169    HB3  TYR  24           HB3      TYR  24  -0.086  -7.792  -2.147
  170    HD1  TYR  24           HD1      TYR  24  -2.970  -6.401  -3.996
  171    HD2  TYR  24           HD2      TYR  24  -1.502  -9.596  -1.608
  172    HE1  TYR  24           HE1      TYR  24  -4.958  -7.725  -4.553
  173    HE2  TYR  24           HE2      TYR  24  -3.486 -10.926  -2.153
  174    HH   TYR  24           HH       TYR  24  -5.569 -10.172  -4.656
  175    H    GLN  25           H        GLN  25   0.373  -7.301   0.389
  176    HA   GLN  25           HA       GLN  25  -1.683  -8.907   1.512
  177    HB2  GLN  25           HB2      GLN  25   1.167  -8.359   2.300
  178    HB3  GLN  25           HB3      GLN  25   0.108  -9.279   3.361
  179    HG2  GLN  25           HG2      GLN  25   0.768 -10.011   0.498
  180    HG3  GLN  25           HG3      GLN  25   1.454 -10.753   1.942
  181   HE21  GLN  25          HE21      GLN  25   0.191 -12.108   3.196
  182   HE22  GLN  25          HE22      GLN  25  -1.292 -12.786   2.612
  183    H    MET  26           H        MET  26  -0.377  -5.788   2.361
  184    HA   MET  26           HA       MET  26  -1.509  -5.813   4.992
  185    HB2  MET  26           HB2      MET  26   0.478  -4.525   4.690
  186    HB3  MET  26           HB3      MET  26  -0.212  -3.672   3.320
  187    HG2  MET  26           HG2      MET  26  -1.789  -2.537   4.808
  188    HG3  MET  26           HG3      MET  26  -1.108  -3.401   6.187
  189    HE1  MET  26           HE1      MET  26   1.152  -2.077   3.210
  190    HE2  MET  26           HE2      MET  26   1.383  -0.401   3.695
  191    HE3  MET  26           HE3      MET  26  -0.217  -0.967   3.217
  192    H    CYS  27           H        CYS  27  -2.365  -4.173   1.924
  193    HA   CYS  27           HA       CYS  27  -4.780  -3.250   3.319
  194    HB2  CYS  27           HB2      CYS  27  -3.233  -2.003   1.054
  195    HB3  CYS  27           HB3      CYS  27  -4.900  -1.519   1.435
  196    H    SER  28           H        SER  28  -4.096  -5.711   1.229
  197    HA   SER  28           HA       SER  28  -6.278  -5.566  -0.502
  198    HB2  SER  28           HB2      SER  28  -6.262  -8.136  -0.382
  199    HB3  SER  28           HB3      SER  28  -4.807  -7.327  -0.980
  200    HG   SER  28           HG       SER  28  -3.778  -7.760   0.890
  201    HA   PRO  29           HA       PRO  29  -9.071  -7.424   3.051
  202    HB2  PRO  29           HB2      PRO  29  -7.604  -6.407   5.422
  203    HB3  PRO  29           HB3      PRO  29  -8.468  -7.944   5.203
  204    HG2  PRO  29           HG2      PRO  29  -5.811  -7.917   5.223
  205    HG3  PRO  29           HG3      PRO  29  -6.692  -8.935   4.054
  206    HD2  PRO  29           HD2      PRO  29  -5.376  -6.254   3.616
  207    HD3  PRO  29           HD3      PRO  29  -5.327  -7.716   2.597
  208    H    LEU  30           H        LEU  30  -7.402  -4.442   2.890
  209    HA   LEU  30           HA       LEU  30  -9.304  -2.863   4.363
  210    HB2  LEU  30           HB2      LEU  30  -6.803  -2.347   3.942
  211    HB3  LEU  30           HB3      LEU  30  -7.316  -1.851   2.322
  212    HG   LEU  30           HG       LEU  30  -8.178  -0.570   4.939
  213   HD11  LEU  30          HD11      LEU  30  -6.848   1.339   4.114
  214   HD12  LEU  30          HD12      LEU  30  -6.305   0.351   2.756
  215   HD13  LEU  30          HD13      LEU  30  -5.863  -0.096   4.406
  216   HD21  LEU  30          HD21      LEU  30  -9.254   1.126   3.596
  217   HD22  LEU  30          HD22      LEU  30  -9.916  -0.453   3.168
  218   HD23  LEU  30          HD23      LEU  30  -8.742   0.327   2.109
  219    H    GLU  31           H        GLU  31  -8.419  -3.210   0.952
  220    HA   GLU  31           HA       GLU  31 -10.639  -1.585   0.097
  221    HB2  GLU  31           HB2      GLU  31  -8.288  -1.800  -0.998
  222    HB3  GLU  31           HB3      GLU  31  -8.925  -3.286  -1.710
  223    HG2  GLU  31           HG2      GLU  31 -10.178  -0.559  -2.083
  224    HG3  GLU  31           HG3      GLU  31  -9.022  -1.293  -3.203
  225    H    ARG  32           H        ARG  32  -9.683  -4.829  -0.954
  226    HA   ARG  32           HA       ARG  32 -12.222  -5.990  -0.310
  227    HB2  ARG  32           HB2      ARG  32 -11.493  -5.355  -3.171
  228    HB3  ARG  32           HB3      ARG  32 -12.473  -6.774  -2.804
  229    HG2  ARG  32           HG2      ARG  32 -13.276  -4.008  -1.885
  230    HG3  ARG  32           HG3      ARG  32 -13.683  -4.604  -3.495
  231    HD2  ARG  32           HD2      ARG  32 -14.601  -5.664  -0.822
  232    HD3  ARG  32           HD3      ARG  32 -15.568  -5.046  -2.156
  233    HE   ARG  32           HE       ARG  32 -14.413  -7.133  -3.318
  234   HH11  ARG  32          HH11      ARG  32 -16.010  -6.857  -0.218
  235   HH12  ARG  32          HH12      ARG  32 -16.490  -8.525  -0.174
  236   HH21  ARG  32          HH21      ARG  32 -15.023  -9.323  -3.268
  237   HH22  ARG  32          HH22      ARG  32 -15.920  -9.934  -1.913
  238    H    SER  33           H        SER  33 -11.858  -8.052   0.206
  239    HA   SER  33           HA       SER  33  -9.606  -9.449  -1.057
  240    HB2  SER  33           HB2      SER  33  -8.919  -8.417   1.184
  241    HB3  SER  33           HB3      SER  33 -10.046  -9.542   1.940
  242    HG   SER  33           HG       SER  33  -7.878 -10.285   0.259
  Start of MODEL   16
    1    HA   ALA   1           HA       ALA   1 -17.355   2.887  -1.243
    2    HB1  ALA   1           HB1      ALA   1 -19.017   4.633  -0.819
    3    HB2  ALA   1           HB2      ALA   1 -18.804   4.410   0.917
    4    HB3  ALA   1           HB3      ALA   1 -19.470   3.106  -0.064
    5    H    SER   2           H        SER   2 -14.851   3.224  -0.569
    6    HA   SER   2           HA       SER   2 -14.312   5.992  -1.114
    7    HB2  SER   2           HB2      SER   2 -14.679   5.969   1.418
    8    HB3  SER   2           HB3      SER   2 -13.251   4.939   1.527
    9    HG   SER   2           HG       SER   2 -13.443   7.639   1.077
   10    HA   PRO   3           HA       PRO   3 -11.363   2.632  -2.596
   11    HB2  PRO   3           HB2      PRO   3 -11.487   4.324  -5.034
   12    HB3  PRO   3           HB3      PRO   3 -11.586   2.557  -4.872
   13    HG2  PRO   3           HG2      PRO   3 -13.756   4.001  -5.428
   14    HG3  PRO   3           HG3      PRO   3 -13.833   2.594  -4.346
   15    HD2  PRO   3           HD2      PRO   3 -13.837   5.522  -3.627
   16    HD3  PRO   3           HD3      PRO   3 -14.750   4.164  -2.897
   17    H    GLN   4           H        GLN   4 -11.317   6.071  -2.395
   18    HA   GLN   4           HA       GLN   4  -8.659   6.548  -3.183
   19    HB2  GLN   4           HB2      GLN   4  -8.843   8.698  -2.087
   20    HB3  GLN   4           HB3      GLN   4 -10.313   8.350  -2.981
   21    HG2  GLN   4           HG2      GLN   4 -11.577   8.067  -1.051
   22    HG3  GLN   4           HG3      GLN   4 -10.159   7.721  -0.060
   23   HE21  GLN   4          HE21      GLN   4 -10.249  10.373  -2.314
   24   HE22  GLN   4          HE22      GLN   4 -10.295  11.633  -1.126
   25    H    GLN   5           H        GLN   5 -10.026   5.411  -0.190
   26    HA   GLN   5           HA       GLN   5  -7.766   5.963   1.435
   27    HB2  GLN   5           HB2      GLN   5  -8.783   4.637   3.131
   28    HB3  GLN   5           HB3      GLN   5 -10.086   5.468   2.300
   29    HG2  GLN   5           HG2      GLN   5 -10.586   3.426   1.039
   30    HG3  GLN   5           HG3      GLN   5  -9.275   2.599   1.872
   31   HE21  GLN   5          HE21      GLN   5 -11.361   4.894   3.477
   32   HE22  GLN   5          HE22      GLN   5 -12.180   3.737   4.470
   33    H    ALA   6           H        ALA   6  -8.768   3.197  -0.452
   34    HA   ALA   6           HA       ALA   6  -6.584   1.531   0.268
   35    HB1  ALA   6           HB1      ALA   6  -7.256   0.135  -1.600
   36    HB2  ALA   6           HB2      ALA   6  -8.286   1.424  -2.222
   37    HB3  ALA   6           HB3      ALA   6  -8.676   0.650  -0.686
   38    H    LYS   7           H        LYS   7  -7.185   3.833  -2.319
   39    HA   LYS   7           HA       LYS   7  -4.842   3.330  -3.805
   40    HB2  LYS   7           HB2      LYS   7  -6.754   4.560  -4.735
   41    HB3  LYS   7           HB3      LYS   7  -6.500   5.855  -3.574
   42    HG2  LYS   7           HG2      LYS   7  -4.357   6.397  -4.604
   43    HG3  LYS   7           HG3      LYS   7  -4.567   5.056  -5.762
   44    HD2  LYS   7           HD2      LYS   7  -6.574   6.152  -6.674
   45    HD3  LYS   7           HD3      LYS   7  -6.407   7.464  -5.501
   46    HE2  LYS   7           HE2      LYS   7  -4.436   6.759  -7.679
   47    HE3  LYS   7           HE3      LYS   7  -5.529   8.143  -7.679
   48    HZ1  LYS   7           HZ1      LYS   7  -4.383   8.914  -5.643
   49    HZ2  LYS   7           HZ2      LYS   7  -3.377   8.860  -6.999
   50    HZ3  LYS   7           HZ3      LYS   7  -3.266   7.656  -5.821
   51    H    TYR   8           H        TYR   8  -5.539   5.464  -1.085
   52    HA   TYR   8           HA       TYR   8  -3.084   6.827  -1.003
   53    HB2  TYR   8           HB2      TYR   8  -5.088   7.489   0.316
   54    HB3  TYR   8           HB3      TYR   8  -4.863   6.059   1.327
   55    HD1  TYR   8           HD1      TYR   8  -3.322   9.267   0.332
   56    HD2  TYR   8           HD2      TYR   8  -3.343   6.066   3.129
   57    HE1  TYR   8           HE1      TYR   8  -1.813  10.544   1.793
   58    HE2  TYR   8           HE2      TYR   8  -1.835   7.330   4.599
   59    HH   TYR   8           HH       TYR   8  -1.159  10.648   4.122
   60    H    CYS   9           H        CYS   9  -4.133   3.764   0.368
   61    HA   CYS   9           HA       CYS   9  -1.799   3.196   1.849
   62    HB2  CYS   9           HB2      CYS   9  -3.954   2.020   2.184
   63    HB3  CYS   9           HB3      CYS   9  -3.772   1.245   0.605
   64    H    TYR  10           H        TYR  10  -2.808   2.165  -1.412
   65    HA   TYR  10           HA       TYR  10  -0.445   0.744  -2.013
   66    HB2  TYR  10           HB2      TYR  10  -2.618   1.949  -3.729
   67    HB3  TYR  10           HB3      TYR  10  -1.199   1.183  -4.449
   68    HD1  TYR  10           HD1      TYR  10  -0.748  -1.228  -3.965
   69    HD2  TYR  10           HD2      TYR  10  -4.425   0.635  -2.905
   70    HE1  TYR  10           HE1      TYR  10  -1.812  -3.427  -3.800
   71    HE2  TYR  10           HE2      TYR  10  -5.493  -1.565  -2.741
   72    HH   TYR  10           HH       TYR  10  -3.732  -4.470  -2.695
   73    H    GLU  11           H        GLU  11  -1.200   4.126  -2.103
   74    HA   GLU  11           HA       GLU  11   0.981   4.897  -3.763
   75    HB2  GLU  11           HB2      GLU  11  -1.067   6.311  -3.286
   76    HB3  GLU  11           HB3      GLU  11  -0.390   6.583  -1.664
   77    HG2  GLU  11           HG2      GLU  11   0.091   8.450  -3.142
   78    HG3  GLU  11           HG3      GLU  11   1.581   7.616  -2.639
   79    H    GLN  12           H        GLN  12   0.455   5.212  -0.249
   80    HA   GLN  12           HA       GLN  12   3.119   6.134   0.158
   81    HB2  GLN  12           HB2      GLN  12   0.998   5.312   2.145
   82    HB3  GLN  12           HB3      GLN  12   2.526   6.061   2.565
   83    HG2  GLN  12           HG2      GLN  12   0.514   7.308   0.736
   84    HG3  GLN  12           HG3      GLN  12   0.589   7.603   2.466
   85   HE21  GLN  12          HE21      GLN  12   2.109   8.123  -0.594
   86   HE22  GLN  12          HE22      GLN  12   3.213   9.357  -0.072
   87    H    CYS  13           H        CYS  13   1.771   2.970   0.028
   88    HA   CYS  13           HA       CYS  13   3.295   1.683   1.998
   89    HB2  CYS  13           HB2      CYS  13   2.756  -0.409   0.833
   90    HB3  CYS  13           HB3      CYS  13   1.334   0.641   0.881
   91    H    ASN  14           H        ASN  14   3.952   1.629  -1.531
   92    HA   ASN  14           HA       ASN  14   6.596   0.657  -1.104
   93    HB2  ASN  14           HB2      ASN  14   6.982   0.914  -3.465
   94    HB3  ASN  14           HB3      ASN  14   5.367   0.263  -3.236
   95   HD21  ASN  14          HD21      ASN  14   4.056   2.754  -2.621
   96   HD22  ASN  14          HD22      ASN  14   4.056   3.694  -4.069
   97    H    VAL  15           H        VAL  15   5.237   3.848  -1.290
   98    HA   VAL  15           HA       VAL  15   7.546   5.341  -1.766
   99    HB   VAL  15           HB       VAL  15   5.070   5.996  -0.170
  100   HG11  VAL  15          HG11      VAL  15   7.356   7.847  -0.856
  101   HG12  VAL  15          HG12      VAL  15   6.920   7.293   0.760
  102   HG13  VAL  15          HG13      VAL  15   5.821   8.333  -0.142
  103   HG21  VAL  15          HG21      VAL  15   6.071   6.953  -2.858
  104   HG22  VAL  15          HG22      VAL  15   4.571   7.453  -2.080
  105   HG23  VAL  15          HG23      VAL  15   4.782   5.780  -2.594
  106    H    ASN  16           H        ASN  16   6.205   4.083   1.287
  107    HA   ASN  16           HA       ASN  16   8.307   5.174   2.883
  108    HB2  ASN  16           HB2      ASN  16   6.446   2.838   3.450
  109    HB3  ASN  16           HB3      ASN  16   7.509   3.606   4.635
  110   HD21  ASN  16          HD21      ASN  16   7.009   6.273   3.486
  111   HD22  ASN  16          HD22      ASN  16   5.427   6.710   4.034
  112    H    LYS  17           H        LYS  17   7.655   1.702   2.526
  113    HA   LYS  17           HA       LYS  17   9.759   1.055   0.872
  114    HB2  LYS  17           HB2      LYS  17  11.364  -0.012   2.445
  115    HB3  LYS  17           HB3      LYS  17  11.325   1.753   2.552
  116    HG2  LYS  17           HG2      LYS  17   9.950   1.603   4.572
  117    HG3  LYS  17           HG3      LYS  17   9.975  -0.162   4.458
  118    HD2  LYS  17           HD2      LYS  17  12.392  -0.185   4.679
  119    HD3  LYS  17           HD3      LYS  17  12.442   1.589   4.735
  120    HE2  LYS  17           HE2      LYS  17  12.624   0.758   6.981
  121    HE3  LYS  17           HE3      LYS  17  11.021   1.465   6.797
  122    HZ1  LYS  17           HZ1      LYS  17  11.642  -1.433   6.643
  123    HZ2  LYS  17           HZ2      LYS  17  10.104  -0.741   6.514
  124    HZ3  LYS  17           HZ3      LYS  17  10.951  -0.648   7.972
  125    H    VAL  18           H        VAL  18   7.882  -0.247   0.186
  126    HA   VAL  18           HA       VAL  18   8.101  -2.865   1.442
  127    HB   VAL  18           HB       VAL  18   5.856  -3.313   1.810
  128   HG11  VAL  18          HG11      VAL  18   6.588  -1.656   3.441
  129   HG12  VAL  18          HG12      VAL  18   4.858  -1.528   3.117
  130   HG13  VAL  18          HG13      VAL  18   5.977  -0.359   2.410
  131   HG21  VAL  18          HG21      VAL  18   5.098  -0.985   0.059
  132   HG22  VAL  18          HG22      VAL  18   3.978  -2.094   0.855
  133   HG23  VAL  18          HG23      VAL  18   5.078  -2.691  -0.392
  134    HA   PRO  19           HA       PRO  19   8.035  -4.130  -2.876
  135    HB2  PRO  19           HB2      PRO  19   7.217  -6.740  -1.763
  136    HB3  PRO  19           HB3      PRO  19   8.635  -6.336  -2.748
  137    HG2  PRO  19           HG2      PRO  19   8.875  -6.924  -0.143
  138    HG3  PRO  19           HG3      PRO  19   9.899  -5.707  -0.930
  139    HD2  PRO  19           HD2      PRO  19   7.504  -5.298   0.836
  140    HD3  PRO  19           HD3      PRO  19   9.043  -4.404   0.769
  141    H    PHE  20           H        PHE  20   6.397  -4.834  -4.416
  142    HA   PHE  20           HA       PHE  20   3.881  -3.782  -3.935
  143    HB2  PHE  20           HB2      PHE  20   4.820  -4.284  -6.202
  144    HB3  PHE  20           HB3      PHE  20   4.454  -5.984  -5.929
  145    HD1  PHE  20           HD1      PHE  20   2.189  -6.802  -6.017
  146    HD2  PHE  20           HD2      PHE  20   3.039  -2.659  -6.498
  147    HE1  PHE  20           HE1      PHE  20  -0.094  -6.436  -6.857
  148    HE2  PHE  20           HE2      PHE  20   0.758  -2.286  -7.339
  149    HZ   PHE  20           HZ       PHE  20  -0.812  -4.174  -7.517
  150    H    ASP  21           H        ASP  21   4.895  -7.179  -3.660
  151    HA   ASP  21           HA       ASP  21   2.359  -8.263  -3.154
  152    HB2  ASP  21           HB2      ASP  21   3.484 -10.209  -2.273
  153    HB3  ASP  21           HB3      ASP  21   4.366  -9.638  -3.683
  154    H    GLN  22           H        GLN  22   4.761  -6.881  -0.947
  155    HA   GLN  22           HA       GLN  22   3.336  -7.407   1.433
  156    HB2  GLN  22           HB2      GLN  22   5.712  -6.785   1.427
  157    HB3  GLN  22           HB3      GLN  22   5.289  -5.177   0.847
  158    HG2  GLN  22           HG2      GLN  22   5.677  -5.061   3.194
  159    HG3  GLN  22           HG3      GLN  22   3.947  -4.841   2.895
  160   HE21  GLN  22          HE21      GLN  22   5.582  -7.946   2.785
  161   HE22  GLN  22          HE22      GLN  22   4.817  -8.602   4.195
  162    H    CYS  23           H        CYS  23   3.325  -4.720  -0.853
  163    HA   CYS  23           HA       CYS  23   1.641  -2.997   0.609
  164    HB2  CYS  23           HB2      CYS  23   2.925  -2.330  -1.470
  165    HB3  CYS  23           HB3      CYS  23   1.726  -3.217  -2.416
  166    H    TYR  24           H        TYR  24   0.905  -5.501  -1.788
  167    HA   TYR  24           HA       TYR  24  -1.882  -5.251  -1.715
  168    HB2  TYR  24           HB2      TYR  24  -0.718  -6.623  -3.409
  169    HB3  TYR  24           HB3      TYR  24  -0.237  -7.770  -2.148
  170    HD1  TYR  24           HD1      TYR  24  -3.109  -6.415  -4.027
  171    HD2  TYR  24           HD2      TYR  24  -1.743  -9.409  -1.338
  172    HE1  TYR  24           HE1      TYR  24  -5.206  -7.652  -4.348
  173    HE2  TYR  24           HE2      TYR  24  -3.831 -10.654  -1.649
  174    HH   TYR  24           HH       TYR  24  -6.086  -9.887  -4.118
  175    H    GLN  25           H        GLN  25   0.349  -6.978   0.410
  176    HA   GLN  25           HA       GLN  25  -1.678  -8.535   1.680
  177    HB2  GLN  25           HB2      GLN  25   1.192  -7.939   2.376
  178    HB3  GLN  25           HB3      GLN  25   0.156  -8.851   3.466
  179    HG2  GLN  25           HG2      GLN  25   0.776  -9.639   0.607
  180    HG3  GLN  25           HG3      GLN  25   1.529 -10.320   2.046
  181   HE21  GLN  25          HE21      GLN  25  -0.053 -11.592  -0.043
  182   HE22  GLN  25          HE22      GLN  25  -1.382 -12.356   0.764
  183    H    MET  26           H        MET  26  -0.368  -5.353   2.259
  184    HA   MET  26           HA       MET  26  -1.736  -5.181   4.815
  185    HB2  MET  26           HB2      MET  26   0.383  -4.086   4.760
  186    HB3  MET  26           HB3      MET  26  -0.014  -3.261   3.261
  187    HG2  MET  26           HG2      MET  26  -1.742  -1.961   4.468
  188    HG3  MET  26           HG3      MET  26  -1.232  -2.735   5.969
  189    HE1  MET  26           HE1      MET  26   0.020  -0.620   2.916
  190    HE2  MET  26           HE2      MET  26   1.388  -1.710   3.143
  191    HE3  MET  26           HE3      MET  26   1.560   0.004   3.505
  192    H    CYS  27           H        CYS  27  -1.974  -3.698   1.586
  193    HA   CYS  27           HA       CYS  27  -4.146  -2.007   2.395
  194    HB2  CYS  27           HB2      CYS  27  -3.193  -2.591  -0.427
  195    HB3  CYS  27           HB3      CYS  27  -4.168  -1.210   0.120
  196    H    SER  28           H        SER  28  -3.960  -5.194   0.924
  197    HA   SER  28           HA       SER  28  -6.557  -5.151  -0.180
  198    HB2  SER  28           HB2      SER  28  -4.999  -6.840  -0.949
  199    HB3  SER  28           HB3      SER  28  -4.952  -7.575   0.657
  200    HG   SER  28           HG       SER  28  -6.753  -7.902  -1.344
  201    HA   PRO  29           HA       PRO  29  -8.122  -7.197   4.004
  202    HB2  PRO  29           HB2      PRO  29  -5.994  -6.106   5.785
  203    HB3  PRO  29           HB3      PRO  29  -6.900  -7.629   5.913
  204    HG2  PRO  29           HG2      PRO  29  -4.392  -7.678   5.066
  205    HG3  PRO  29           HG3      PRO  29  -5.625  -8.682   4.259
  206    HD2  PRO  29           HD2      PRO  29  -4.423  -6.070   3.363
  207    HD3  PRO  29           HD3      PRO  29  -4.806  -7.525   2.415
  208    H    LEU  30           H        LEU  30  -6.543  -4.133   3.605
  209    HA   LEU  30           HA       LEU  30  -8.149  -2.623   5.413
  210    HB2  LEU  30           HB2      LEU  30  -5.896  -1.978   4.308
  211    HB3  LEU  30           HB3      LEU  30  -6.864  -1.588   2.877
  212    HG   LEU  30           HG       LEU  30  -6.992  -0.232   5.592
  213   HD11  LEU  30          HD11      LEU  30  -6.182   1.712   4.331
  214   HD12  LEU  30          HD12      LEU  30  -6.082   0.719   2.877
  215   HD13  LEU  30          HD13      LEU  30  -5.045   0.365   4.261
  216   HD21  LEU  30          HD21      LEU  30  -8.575   0.382   3.089
  217   HD22  LEU  30          HD22      LEU  30  -8.583   1.317   4.587
  218   HD23  LEU  30          HD23      LEU  30  -9.227  -0.327   4.570
  219    H    GLU  31           H        GLU  31  -8.155  -3.001   1.903
  220    HA   GLU  31           HA       GLU  31 -10.590  -1.597   1.501
  221    HB2  GLU  31           HB2      GLU  31  -8.695  -1.970  -0.174
  222    HB3  GLU  31           HB3      GLU  31  -9.357  -3.595  -0.401
  223    HG2  GLU  31           HG2      GLU  31 -10.931  -1.058  -0.884
  224    HG3  GLU  31           HG3      GLU  31 -10.032  -1.923  -2.136
  225    H    ARG  32           H        ARG  32  -9.771  -5.053   1.536
  226    HA   ARG  32           HA       ARG  32 -12.608  -5.646   1.984
  227    HB2  ARG  32           HB2      ARG  32 -11.953  -5.926  -0.474
  228    HB3  ARG  32           HB3      ARG  32 -10.869  -7.216   0.057
  229    HG2  ARG  32           HG2      ARG  32 -12.871  -8.237  -0.767
  230    HG3  ARG  32           HG3      ARG  32 -12.848  -8.423   0.985
  231    HD2  ARG  32           HD2      ARG  32 -15.015  -7.644  -0.318
  232    HD3  ARG  32           HD3      ARG  32 -14.642  -7.047   1.293
  233    HE   ARG  32           HE       ARG  32 -13.501  -5.363  -0.690
  234   HH11  ARG  32          HH11      ARG  32 -16.580  -6.191   0.766
  235   HH12  ARG  32          HH12      ARG  32 -17.275  -4.628   0.483
  236   HH21  ARG  32          HH21      ARG  32 -14.392  -3.301  -1.043
  237   HH22  ARG  32          HH22      ARG  32 -16.039  -2.991  -0.568
  238    H    SER  33           H        SER  33 -12.755  -6.797   3.815
  239    HA   SER  33           HA       SER  33 -10.594  -8.679   4.479
  240    HB2  SER  33           HB2      SER  33 -10.274  -6.415   5.634
  241    HB3  SER  33           HB3      SER  33 -11.744  -6.778   6.538
  242    HG   SER  33           HG       SER  33  -9.616  -7.378   7.490
  Start of MODEL   17
    1    HA   ALA   1           HA       ALA   1 -17.202   1.860   2.082
    2    HB1  ALA   1           HB1      ALA   1 -16.365   2.423   4.283
    3    HB2  ALA   1           HB2      ALA   1 -14.881   1.524   3.972
    4    HB3  ALA   1           HB3      ALA   1 -16.422   0.673   4.079
    5    H    SER   2           H        SER   2 -13.962   1.975   0.946
    6    HA   SER   2           HA       SER   2 -14.122   4.752   0.282
    7    HB2  SER   2           HB2      SER   2 -13.650   4.849   2.768
    8    HB3  SER   2           HB3      SER   2 -12.127   4.021   2.450
    9    HG   SER   2           HG       SER   2 -12.149   6.422   2.564
   10    HA   PRO   3           HA       PRO   3 -11.294   2.055  -2.312
   11    HB2  PRO   3           HB2      PRO   3 -12.386   4.022  -4.277
   12    HB3  PRO   3           HB3      PRO   3 -12.102   2.275  -4.464
   13    HG2  PRO   3           HG2      PRO   3 -14.564   3.170  -4.136
   14    HG3  PRO   3           HG3      PRO   3 -14.022   1.714  -3.272
   15    HD2  PRO   3           HD2      PRO   3 -14.360   4.515  -2.200
   16    HD3  PRO   3           HD3      PRO   3 -14.760   2.944  -1.439
   17    H    GLN   4           H        GLN   4 -11.707   5.511  -1.900
   18    HA   GLN   4           HA       GLN   4  -9.300   6.280  -3.207
   19    HB2  GLN   4           HB2      GLN   4 -10.978   7.740  -1.165
   20    HB3  GLN   4           HB3      GLN   4  -9.589   8.443  -1.975
   21    HG2  GLN   4           HG2      GLN   4 -10.751   8.081  -4.159
   22    HG3  GLN   4           HG3      GLN   4 -12.171   7.553  -3.260
   23   HE21  GLN   4          HE21      GLN   4 -10.038  10.092  -2.160
   24   HE22  GLN   4          HE22      GLN   4 -11.166  11.391  -2.369
   25    H    GLN   5           H        GLN   5 -10.124   5.617   0.165
   26    HA   GLN   5           HA       GLN   5  -7.639   6.446   1.221
   27    HB2  GLN   5           HB2      GLN   5  -8.318   5.587   3.276
   28    HB3  GLN   5           HB3      GLN   5  -9.844   5.960   2.493
   29    HG2  GLN   5           HG2      GLN   5 -10.093   3.604   1.868
   30    HG3  GLN   5           HG3      GLN   5  -8.563   3.238   2.659
   31   HE21  GLN   5          HE21      GLN   5  -9.122   5.133   4.849
   32   HE22  GLN   5          HE22      GLN   5 -10.291   4.343   5.852
   33    H    ALA   6           H        ALA   6  -8.758   3.473  -0.167
   34    HA   ALA   6           HA       ALA   6  -6.573   1.840   0.591
   35    HB1  ALA   6           HB1      ALA   6  -7.292   0.356  -1.213
   36    HB2  ALA   6           HB2      ALA   6  -8.387   1.605  -1.805
   37    HB3  ALA   6           HB3      ALA   6  -8.655   0.878  -0.218
   38    H    LYS   7           H        LYS   7  -7.169   3.962  -2.155
   39    HA   LYS   7           HA       LYS   7  -4.863   3.237  -3.625
   40    HB2  LYS   7           HB2      LYS   7  -6.808   4.472  -4.575
   41    HB3  LYS   7           HB3      LYS   7  -6.328   5.882  -3.649
   42    HG2  LYS   7           HG2      LYS   7  -5.639   6.035  -5.987
   43    HG3  LYS   7           HG3      LYS   7  -4.247   6.041  -4.873
   44    HD2  LYS   7           HD2      LYS   7  -3.746   4.601  -6.772
   45    HD3  LYS   7           HD3      LYS   7  -3.944   3.609  -5.323
   46    HE2  LYS   7           HE2      LYS   7  -5.073   2.552  -7.201
   47    HE3  LYS   7           HE3      LYS   7  -6.257   3.105  -6.018
   48    HZ1  LYS   7           HZ1      LYS   7  -6.912   3.610  -8.302
   49    HZ2  LYS   7           HZ2      LYS   7  -5.530   4.561  -8.499
   50    HZ3  LYS   7           HZ3      LYS   7  -6.719   5.019  -7.389
   51    H    TYR   8           H        TYR   8  -5.462   5.517  -1.040
   52    HA   TYR   8           HA       TYR   8  -2.964   6.823  -1.029
   53    HB2  TYR   8           HB2      TYR   8  -4.940   7.623   0.232
   54    HB3  TYR   8           HB3      TYR   8  -4.811   6.222   1.295
   55    HD1  TYR   8           HD1      TYR   8  -3.313   6.208   3.130
   56    HD2  TYR   8           HD2      TYR   8  -3.147   9.353   0.272
   57    HE1  TYR   8           HE1      TYR   8  -1.837   7.479   4.627
   58    HE2  TYR   8           HE2      TYR   8  -1.673  10.637   1.761
   59    HH   TYR   8           HH       TYR   8  -0.191   9.272   4.517
   60    H    CYS   9           H        CYS   9  -4.124   3.869   0.517
   61    HA   CYS   9           HA       CYS   9  -1.831   3.269   2.031
   62    HB2  CYS   9           HB2      CYS   9  -4.077   2.152   2.259
   63    HB3  CYS   9           HB3      CYS   9  -3.741   1.270   0.766
   64    H    TYR  10           H        TYR  10  -2.786   2.273  -1.234
   65    HA   TYR  10           HA       TYR  10  -0.446   0.757  -1.747
   66    HB2  TYR  10           HB2      TYR  10  -2.626   1.875  -3.507
   67    HB3  TYR  10           HB3      TYR  10  -1.207   1.086  -4.202
   68    HD1  TYR  10           HD1      TYR  10  -0.740  -1.282  -3.664
   69    HD2  TYR  10           HD2      TYR  10  -4.395   0.585  -2.541
   70    HE1  TYR  10           HE1      TYR  10  -1.764  -3.480  -3.364
   71    HE2  TYR  10           HE2      TYR  10  -5.429  -1.618  -2.234
   72    HH   TYR  10           HH       TYR  10  -5.139  -3.907  -2.935
   73    H    GLU  11           H        GLU  11  -1.208   4.165  -2.160
   74    HA   GLU  11           HA       GLU  11   1.019   4.683  -3.846
   75    HB2  GLU  11           HB2      GLU  11  -0.946   6.209  -3.731
   76    HB3  GLU  11           HB3      GLU  11  -0.471   6.654  -2.076
   77    HG2  GLU  11           HG2      GLU  11   1.677   7.503  -2.970
   78    HG3  GLU  11           HG3      GLU  11   1.094   7.150  -4.612
   79    H    GLN  12           H        GLN  12   0.501   4.998  -0.322
   80    HA   GLN  12           HA       GLN  12   3.103   6.176  -0.015
   81    HB2  GLN  12           HB2      GLN  12   1.057   5.334   2.040
   82    HB3  GLN  12           HB3      GLN  12   2.531   6.216   2.398
   83    HG2  GLN  12           HG2      GLN  12   0.618   7.290   0.392
   84    HG3  GLN  12           HG3      GLN  12   0.285   7.471   2.108
   85   HE21  GLN  12          HE21      GLN  12   3.538   7.469   0.846
   86   HE22  GLN  12          HE22      GLN  12   3.851   9.143   1.142
   87    H    CYS  13           H        CYS  13   1.807   2.967   0.180
   88    HA   CYS  13           HA       CYS  13   3.507   1.851   2.096
   89    HB2  CYS  13           HB2      CYS  13   2.963  -0.323   1.089
   90    HB3  CYS  13           HB3      CYS  13   1.514   0.688   1.169
   91    H    ASN  14           H        ASN  14   3.938   1.794  -1.457
   92    HA   ASN  14           HA       ASN  14   6.596   0.791  -1.220
   93    HB2  ASN  14           HB2      ASN  14   6.750   1.352  -3.693
   94    HB3  ASN  14           HB3      ASN  14   5.492   0.221  -3.223
   95   HD21  ASN  14          HD21      ASN  14   5.403   3.771  -2.971
   96   HD22  ASN  14          HD22      ASN  14   4.072   3.965  -4.061
   97    H    VAL  15           H        VAL  15   5.264   3.993  -1.238
   98    HA   VAL  15           HA       VAL  15   7.625   5.383  -1.949
   99    HB   VAL  15           HB       VAL  15   5.192   6.262  -0.391
  100   HG11  VAL  15          HG11      VAL  15   7.084   7.586   0.386
  101   HG12  VAL  15          HG12      VAL  15   6.024   8.569  -0.624
  102   HG13  VAL  15          HG13      VAL  15   7.536   7.947  -1.279
  103   HG21  VAL  15          HG21      VAL  15   4.698   7.545  -2.418
  104   HG22  VAL  15          HG22      VAL  15   4.857   5.828  -2.783
  105   HG23  VAL  15          HG23      VAL  15   6.172   6.936  -3.170
  106    H    ASN  16           H        ASN  16   6.331   4.221   1.140
  107    HA   ASN  16           HA       ASN  16   8.448   5.384   2.688
  108    HB2  ASN  16           HB2      ASN  16   6.712   2.984   3.371
  109    HB3  ASN  16           HB3      ASN  16   7.693   3.922   4.500
  110   HD21  ASN  16          HD21      ASN  16   6.937   6.465   3.203
  111   HD22  ASN  16          HD22      ASN  16   5.313   6.766   3.724
  112    H    LYS  17           H        LYS  17   7.808   1.898   2.446
  113    HA   LYS  17           HA       LYS  17   9.799   1.218   0.689
  114    HB2  LYS  17           HB2      LYS  17  11.576   0.258   2.066
  115    HB3  LYS  17           HB3      LYS  17  11.433   1.995   2.345
  116    HG2  LYS  17           HG2      LYS  17  10.183  -0.042   4.182
  117    HG3  LYS  17           HG3      LYS  17  11.856   0.486   4.362
  118    HD2  LYS  17           HD2      LYS  17  11.113   2.807   4.624
  119    HD3  LYS  17           HD3      LYS  17   9.418   2.305   4.441
  120    HE2  LYS  17           HE2      LYS  17   9.986   2.597   6.798
  121    HE3  LYS  17           HE3      LYS  17   9.645   0.902   6.455
  122    HZ1  LYS  17           HZ1      LYS  17  12.360   2.088   6.660
  123    HZ2  LYS  17           HZ2      LYS  17  12.006   0.455   6.408
  124    HZ3  LYS  17           HZ3      LYS  17  11.596   1.192   7.871
  125    H    VAL  18           H        VAL  18   7.896  -0.117   0.134
  126    HA   VAL  18           HA       VAL  18   8.204  -2.697   1.447
  127    HB   VAL  18           HB       VAL  18   6.050  -3.120   2.087
  128   HG11  VAL  18          HG11      VAL  18   5.042  -1.263   3.256
  129   HG12  VAL  18          HG12      VAL  18   5.993  -0.112   2.315
  130   HG13  VAL  18          HG13      VAL  18   6.797  -1.218   3.433
  131   HG21  VAL  18          HG21      VAL  18   4.034  -2.125   1.141
  132   HG22  VAL  18          HG22      VAL  18   5.073  -2.840  -0.096
  133   HG23  VAL  18          HG23      VAL  18   5.029  -1.086   0.113
  134    HA   PRO  19           HA       PRO  19   7.931  -4.074  -2.813
  135    HB2  PRO  19           HB2      PRO  19   7.162  -6.661  -1.621
  136    HB3  PRO  19           HB3      PRO  19   8.546  -6.273  -2.660
  137    HG2  PRO  19           HG2      PRO  19   8.879  -6.806  -0.057
  138    HG3  PRO  19           HG3      PRO  19   9.863  -5.593  -0.898
  139    HD2  PRO  19           HD2      PRO  19   7.516  -5.175   0.932
  140    HD3  PRO  19           HD3      PRO  19   9.048  -4.276   0.808
  141    H    PHE  20           H        PHE  20   6.263  -4.754  -4.296
  142    HA   PHE  20           HA       PHE  20   3.743  -3.739  -3.717
  143    HB2  PHE  20           HB2      PHE  20   4.550  -4.043  -6.023
  144    HB3  PHE  20           HB3      PHE  20   4.414  -5.789  -5.844
  145    HD1  PHE  20           HD1      PHE  20   2.319  -6.892  -6.057
  146    HD2  PHE  20           HD2      PHE  20   2.511  -2.640  -6.018
  147    HE1  PHE  20           HE1      PHE  20  -0.026  -6.785  -6.790
  148    HE2  PHE  20           HE2      PHE  20   0.164  -2.527  -6.751
  149    HZ   PHE  20           HZ       PHE  20  -1.107  -4.600  -7.138
  150    H    ASP  21           H        ASP  21   4.812  -7.124  -3.665
  151    HA   ASP  21           HA       ASP  21   2.303  -8.284  -3.200
  152    HB2  ASP  21           HB2      ASP  21   3.616 -10.214  -2.284
  153    HB3  ASP  21           HB3      ASP  21   4.121  -9.686  -3.887
  154    H    GLN  22           H        GLN  22   4.688  -6.963  -0.958
  155    HA   GLN  22           HA       GLN  22   3.286  -7.693   1.403
  156    HB2  GLN  22           HB2      GLN  22   5.631  -7.146   1.555
  157    HB3  GLN  22           HB3      GLN  22   5.355  -5.548   0.871
  158    HG2  GLN  22           HG2      GLN  22   4.025  -4.951   2.845
  159    HG3  GLN  22           HG3      GLN  22   4.372  -6.541   3.535
  160   HE21  GLN  22          HE21      GLN  22   7.092  -6.637   2.564
  161   HE22  GLN  22          HE22      GLN  22   7.998  -5.532   3.542
  162    H    CYS  23           H        CYS  23   3.317  -4.818  -0.663
  163    HA   CYS  23           HA       CYS  23   1.596  -3.222   0.904
  164    HB2  CYS  23           HB2      CYS  23   2.920  -2.402  -1.106
  165    HB3  CYS  23           HB3      CYS  23   1.717  -3.193  -2.127
  166    H    TYR  24           H        TYR  24   0.958  -5.551  -1.662
  167    HA   TYR  24           HA       TYR  24  -1.829  -5.328  -1.739
  168    HB2  TYR  24           HB2      TYR  24  -0.303  -6.617  -3.346
  169    HB3  TYR  24           HB3      TYR  24  -0.300  -7.912  -2.139
  170    HD1  TYR  24           HD1      TYR  24  -2.410  -9.089  -1.598
  171    HD2  TYR  24           HD2      TYR  24  -2.162  -6.275  -4.771
  172    HE1  TYR  24           HE1      TYR  24  -4.493  -9.980  -2.540
  173    HE2  TYR  24           HE2      TYR  24  -4.241  -7.157  -5.728
  174    HH   TYR  24           HH       TYR  24  -5.533  -9.285  -5.678
  175    H    GLN  25           H        GLN  25   0.299  -7.096   0.440
  176    HA   GLN  25           HA       GLN  25  -1.764  -8.763   1.496
  177    HB2  GLN  25           HB2      GLN  25   0.658  -9.358   1.467
  178    HB3  GLN  25           HB3      GLN  25   0.950  -8.096   2.661
  179    HG2  GLN  25           HG2      GLN  25   0.829 -10.311   3.686
  180    HG3  GLN  25           HG3      GLN  25  -0.457  -9.256   4.271
  181   HE21  GLN  25          HE21      GLN  25  -1.734 -10.982   4.898
  182   HE22  GLN  25          HE22      GLN  25  -2.540 -12.007   3.762
  183    H    MET  26           H        MET  26  -0.489  -5.608   2.271
  184    HA   MET  26           HA       MET  26  -1.875  -5.558   4.819
  185    HB2  MET  26           HB2      MET  26   0.269  -4.521   4.848
  186    HB3  MET  26           HB3      MET  26  -0.088  -3.599   3.397
  187    HG2  MET  26           HG2      MET  26  -1.744  -2.282   4.638
  188    HG3  MET  26           HG3      MET  26  -1.368  -3.197   6.098
  189    HE1  MET  26           HE1      MET  26   0.178  -0.919   3.294
  190    HE2  MET  26           HE2      MET  26   1.437  -2.142   3.476
  191    HE3  MET  26           HE3      MET  26   1.736  -0.485   3.997
  192    H    CYS  27           H        CYS  27  -2.071  -3.866   1.680
  193    HA   CYS  27           HA       CYS  27  -4.259  -2.249   2.658
  194    HB2  CYS  27           HB2      CYS  27  -3.181  -2.389  -0.173
  195    HB3  CYS  27           HB3      CYS  27  -4.166  -1.101   0.548
  196    H    SER  28           H        SER  28  -4.010  -5.250   0.901
  197    HA   SER  28           HA       SER  28  -6.480  -5.125  -0.431
  198    HB2  SER  28           HB2      SER  28  -5.024  -6.851  -1.139
  199    HB3  SER  28           HB3      SER  28  -4.916  -7.536   0.489
  200    HG   SER  28           HG       SER  28  -6.769  -7.954  -1.467
  201    HA   PRO  29           HA       PRO  29  -8.499  -7.264   3.534
  202    HB2  PRO  29           HB2      PRO  29  -6.608  -6.091   5.524
  203    HB3  PRO  29           HB3      PRO  29  -7.491  -7.632   5.580
  204    HG2  PRO  29           HG2      PRO  29  -4.908  -7.644   5.007
  205    HG3  PRO  29           HG3      PRO  29  -6.026  -8.681   4.084
  206    HD2  PRO  29           HD2      PRO  29  -4.773  -6.063   3.289
  207    HD3  PRO  29           HD3      PRO  29  -5.042  -7.531   2.319
  208    H    LEU  30           H        LEU  30  -6.980  -4.166   3.296
  209    HA   LEU  30           HA       LEU  30  -8.862  -2.711   4.896
  210    HB2  LEU  30           HB2      LEU  30  -6.435  -2.071   4.251
  211    HB3  LEU  30           HB3      LEU  30  -7.122  -1.595   2.690
  212    HG   LEU  30           HG       LEU  30  -7.735  -0.359   5.396
  213   HD11  LEU  30          HD11      LEU  30  -6.663   1.619   4.397
  214   HD12  LEU  30          HD12      LEU  30  -6.282   0.668   2.959
  215   HD13  LEU  30          HD13      LEU  30  -5.558   0.248   4.513
  216   HD21  LEU  30          HD21      LEU  30  -9.085   1.267   4.193
  217   HD22  LEU  30          HD22      LEU  30  -9.725  -0.359   3.937
  218   HD23  LEU  30          HD23      LEU  30  -8.782   0.428   2.670
  219    H    GLU  31           H        GLU  31  -8.334  -3.225   1.444
  220    HA   GLU  31           HA       GLU  31 -10.593  -1.591   0.718
  221    HB2  GLU  31           HB2      GLU  31  -8.427  -1.736  -0.575
  222    HB3  GLU  31           HB3      GLU  31  -8.914  -3.359  -1.072
  223    HG2  GLU  31           HG2      GLU  31 -10.899  -1.243  -1.607
  224    HG3  GLU  31           HG3      GLU  31  -9.384  -1.116  -2.510
  225    H    ARG  32           H        ARG  32  -9.764  -4.941  -0.130
  226    HA   ARG  32           HA       ARG  32 -11.012  -6.836  -0.410
  227    HB2  ARG  32           HB2      ARG  32 -12.707  -5.440   1.673
  228    HB3  ARG  32           HB3      ARG  32 -13.015  -7.091   1.126
  229    HG2  ARG  32           HG2      ARG  32 -10.742  -7.732   1.951
  230    HG3  ARG  32           HG3      ARG  32 -10.519  -6.084   2.536
  231    HD2  ARG  32           HD2      ARG  32 -12.534  -8.117   3.496
  232    HD3  ARG  32           HD3      ARG  32 -11.167  -7.447   4.379
  233    HE   ARG  32           HE       ARG  32 -12.878  -5.353   3.600
  234   HH11  ARG  32          HH11      ARG  32 -12.743  -8.054   5.815
  235   HH12  ARG  32          HH12      ARG  32 -13.798  -7.321   6.979
  236   HH21  ARG  32          HH21      ARG  32 -14.279  -4.383   5.125
  237   HH22  ARG  32          HH22      ARG  32 -14.675  -5.230   6.584
  238    H    SER  33           H        SER  33 -11.481  -6.254  -2.601
  239    HA   SER  33           HA       SER  33 -14.025  -5.088  -3.260
  240    HB2  SER  33           HB2      SER  33 -12.272  -6.839  -5.020
  241    HB3  SER  33           HB3      SER  33 -13.553  -5.756  -5.554
  242    HG   SER  33           HG       SER  33 -11.843  -4.340  -4.076
  Start of MODEL   18
    1    HA   ALA   1           HA       ALA   1 -15.734   0.961  -1.724
    2    HB1  ALA   1           HB1      ALA   1 -18.107   0.876  -1.111
    3    HB2  ALA   1           HB2      ALA   1 -17.742   2.277  -2.119
    4    HB3  ALA   1           HB3      ALA   1 -17.970   2.476  -0.382
    5    H    SER   2           H        SER   2 -13.624   1.938  -1.247
    6    HA   SER   2           HA       SER   2 -13.720   4.789  -1.708
    7    HB2  SER   2           HB2      SER   2 -13.768   4.586   0.818
    8    HB3  SER   2           HB3      SER   2 -12.202   3.781   0.719
    9    HG   SER   2           HG       SER   2 -12.741   6.403   0.678
   10    HA   PRO   3           HA       PRO   3 -10.381   2.338  -3.865
   11    HB2  PRO   3           HB2      PRO   3 -11.118   4.219  -6.036
   12    HB3  PRO   3           HB3      PRO   3 -10.880   2.459  -6.094
   13    HG2  PRO   3           HG2      PRO   3 -13.324   3.515  -6.242
   14    HG3  PRO   3           HG3      PRO   3 -13.018   2.008  -5.352
   15    HD2  PRO   3           HD2      PRO   3 -13.437   4.788  -4.255
   16    HD3  PRO   3           HD3      PRO   3 -14.023   3.213  -3.632
   17    H    GLN   4           H        GLN   4 -10.975   5.601  -3.065
   18    HA   GLN   4           HA       GLN   4  -8.424   6.573  -4.021
   19    HB2  GLN   4           HB2      GLN   4 -10.540   7.931  -2.345
   20    HB3  GLN   4           HB3      GLN   4  -9.077   8.709  -2.927
   21    HG2  GLN   4           HG2      GLN   4  -9.828   8.237  -5.265
   22    HG3  GLN   4           HG3      GLN   4 -11.349   7.640  -4.603
   23   HE21  GLN   4          HE21      GLN   4 -11.302   9.666  -2.448
   24   HE22  GLN   4          HE22      GLN   4 -11.760  11.151  -3.211
   25    H    GLN   5           H        GLN   5  -9.943   5.979  -0.849
   26    HA   GLN   5           HA       GLN   5  -7.622   6.736   0.592
   27    HB2  GLN   5           HB2      GLN   5  -8.730   6.148   2.539
   28    HB3  GLN   5           HB3      GLN   5 -10.061   6.523   1.461
   29    HG2  GLN   5           HG2      GLN   5 -10.923   4.558   2.037
   30    HG3  GLN   5           HG3      GLN   5  -9.642   3.815   1.080
   31   HE21  GLN   5          HE21      GLN   5  -7.545   4.714   2.948
   32   HE22  GLN   5          HE22      GLN   5  -7.682   3.686   4.334
   33    H    ALA   6           H        ALA   6  -8.770   3.708  -0.710
   34    HA   ALA   6           HA       ALA   6  -6.782   2.073   0.471
   35    HB1  ALA   6           HB1      ALA   6  -8.769   1.078  -0.518
   36    HB2  ALA   6           HB2      ALA   6  -7.313   0.451  -1.296
   37    HB3  ALA   6           HB3      ALA   6  -8.289   1.671  -2.108
   38    H    LYS   7           H        LYS   7  -6.898   4.002  -2.459
   39    HA   LYS   7           HA       LYS   7  -4.461   3.074  -3.557
   40    HB2  LYS   7           HB2      LYS   7  -6.279   4.377  -4.761
   41    HB3  LYS   7           HB3      LYS   7  -5.661   5.816  -3.962
   42    HG2  LYS   7           HG2      LYS   7  -4.813   5.619  -6.238
   43    HG3  LYS   7           HG3      LYS   7  -3.496   5.517  -5.039
   44    HD2  LYS   7           HD2      LYS   7  -3.347   3.137  -5.295
   45    HD3  LYS   7           HD3      LYS   7  -4.842   3.076  -6.233
   46    HE2  LYS   7           HE2      LYS   7  -2.263   4.390  -7.101
   47    HE3  LYS   7           HE3      LYS   7  -2.867   2.838  -7.680
   48    HZ1  LYS   7           HZ1      LYS   7  -4.163   5.484  -8.064
   49    HZ2  LYS   7           HZ2      LYS   7  -4.821   4.006  -8.555
   50    HZ3  LYS   7           HZ3      LYS   7  -3.384   4.564  -9.249
   51    H    TYR   8           H        TYR   8  -5.282   5.469  -1.154
   52    HA   TYR   8           HA       TYR   8  -2.769   6.749  -1.019
   53    HB2  TYR   8           HB2      TYR   8  -4.840   7.695  -0.018
   54    HB3  TYR   8           HB3      TYR   8  -4.792   6.424   1.209
   55    HD1  TYR   8           HD1      TYR   8  -2.880   9.294  -0.149
   56    HD2  TYR   8           HD2      TYR   8  -3.504   6.695   3.158
   57    HE1  TYR   8           HE1      TYR   8  -1.401  10.699   1.222
   58    HE2  TYR   8           HE2      TYR   8  -2.029   8.091   4.540
   59    HH   TYR   8           HH       TYR   8  -0.203   9.700   4.245
   60    H    CYS   9           H        CYS   9  -4.163   3.992   0.725
   61    HA   CYS   9           HA       CYS   9  -2.060   3.394   2.441
   62    HB2  CYS   9           HB2      CYS   9  -4.032   2.081   2.704
   63    HB3  CYS   9           HB3      CYS   9  -4.029   1.581   1.006
   64    H    TYR  10           H        TYR  10  -2.590   2.216  -0.849
   65    HA   TYR  10           HA       TYR  10  -0.191   0.743  -1.012
   66    HB2  TYR  10           HB2      TYR  10  -2.132   1.763  -3.090
   67    HB3  TYR  10           HB3      TYR  10  -0.670   0.871  -3.531
   68    HD1  TYR  10           HD1      TYR  10  -0.373  -1.443  -2.784
   69    HD2  TYR  10           HD2      TYR  10  -4.044   0.614  -2.155
   70    HE1  TYR  10           HE1      TYR  10  -1.499  -3.570  -2.392
   71    HE2  TYR  10           HE2      TYR  10  -5.179  -1.517  -1.760
   72    HH   TYR  10           HH       TYR  10  -4.855  -3.917  -2.343
   73    H    GLU  11           H        GLU  11  -0.999   4.073  -1.819
   74    HA   GLU  11           HA       GLU  11   1.322   4.783  -3.203
   75    HB2  GLU  11           HB2      GLU  11  -0.739   6.213  -2.928
   76    HB3  GLU  11           HB3      GLU  11  -0.198   6.533  -1.265
   77    HG2  GLU  11           HG2      GLU  11   0.416   8.381  -2.658
   78    HG3  GLU  11           HG3      GLU  11   1.883   7.503  -2.164
   79    H    GLN  12           H        GLN  12   0.589   4.936   0.276
   80    HA   GLN  12           HA       GLN  12   3.029   6.098   1.043
   81    HB2  GLN  12           HB2      GLN  12   1.262   4.315   2.733
   82    HB3  GLN  12           HB3      GLN  12   2.499   5.412   3.315
   83    HG2  GLN  12           HG2      GLN  12   0.019   6.219   1.845
   84    HG3  GLN  12           HG3      GLN  12   0.261   6.303   3.582
   85   HE21  GLN  12          HE21      GLN  12   1.117   7.633   0.505
   86   HE22  GLN  12          HE22      GLN  12   1.836   9.091   1.104
   87    H    CYS  13           H        CYS  13   2.160   2.820   0.302
   88    HA   CYS  13           HA       CYS  13   4.274   1.518   1.604
   89    HB2  CYS  13           HB2      CYS  13   2.618   0.772  -0.808
   90    HB3  CYS  13           HB3      CYS  13   3.918  -0.260  -0.212
   91    H    ASN  14           H        ASN  14   4.058   2.672  -1.790
   92    HA   ASN  14           HA       ASN  14   6.808   1.996  -2.255
   93    HB2  ASN  14           HB2      ASN  14   6.454   3.282  -4.419
   94    HB3  ASN  14           HB3      ASN  14   5.405   1.894  -4.162
   95   HD21  ASN  14          HD21      ASN  14   5.511   5.439  -4.134
   96   HD22  ASN  14          HD22      ASN  14   3.789   5.646  -4.271
   97    H    VAL  15           H        VAL  15   5.077   4.825  -1.200
   98    HA   VAL  15           HA       VAL  15   7.100   6.729  -1.574
   99    HB   VAL  15           HB       VAL  15   4.904   6.580   0.493
  100   HG11  VAL  15          HG11      VAL  15   6.786   8.885  -0.040
  101   HG12  VAL  15          HG12      VAL  15   6.759   7.893   1.417
  102   HG13  VAL  15          HG13      VAL  15   5.382   8.924   1.028
  103   HG21  VAL  15          HG21      VAL  15   4.174   6.912  -1.825
  104   HG22  VAL  15          HG22      VAL  15   5.254   8.299  -1.970
  105   HG23  VAL  15          HG23      VAL  15   3.888   8.358  -0.857
  106    H    ASN  16           H        ASN  16   6.491   4.479   1.136
  107    HA   ASN  16           HA       ASN  16   8.835   5.516   2.517
  108    HB2  ASN  16           HB2      ASN  16   7.113   3.116   3.226
  109    HB3  ASN  16           HB3      ASN  16   8.308   3.897   4.265
  110   HD21  ASN  16          HD21      ASN  16   7.485   6.576   3.358
  111   HD22  ASN  16          HD22      ASN  16   5.991   6.889   4.171
  112    H    LYS  17           H        LYS  17   7.997   2.108   2.038
  113    HA   LYS  17           HA       LYS  17   9.752   1.408   0.074
  114    HB2  LYS  17           HB2      LYS  17  11.638   2.091   1.402
  115    HB3  LYS  17           HB3      LYS  17  11.027   1.223   2.816
  116    HG2  LYS  17           HG2      LYS  17  12.835  -0.046   1.967
  117    HG3  LYS  17           HG3      LYS  17  11.361  -0.913   1.532
  118    HD2  LYS  17           HD2      LYS  17  11.515   0.024  -0.779
  119    HD3  LYS  17           HD3      LYS  17  12.997   0.878  -0.298
  120    HE2  LYS  17           HE2      LYS  17  14.148  -1.182   0.062
  121    HE3  LYS  17           HE3      LYS  17  12.666  -2.114  -0.142
  122    HZ1  LYS  17           HZ1      LYS  17  14.119  -2.141  -2.112
  123    HZ2  LYS  17           HZ2      LYS  17  13.919  -0.470  -2.274
  124    HZ3  LYS  17           HZ3      LYS  17  12.592  -1.501  -2.444
  125    H    VAL  18           H        VAL  18   7.814   0.073  -0.244
  126    HA   VAL  18           HA       VAL  18   8.227  -2.510   0.970
  127    HB   VAL  18           HB       VAL  18   6.591  -2.506   2.494
  128   HG11  VAL  18          HG11      VAL  18   5.158  -0.565   2.936
  129   HG12  VAL  18          HG12      VAL  18   5.720   0.173   1.437
  130   HG13  VAL  18          HG13      VAL  18   6.857  -0.122   2.749
  131   HG21  VAL  18          HG21      VAL  18   4.218  -2.462   1.791
  132   HG22  VAL  18          HG22      VAL  18   5.222  -3.509   0.784
  133   HG23  VAL  18          HG23      VAL  18   4.735  -1.927   0.190
  134    HA   PRO  19           HA       PRO  19   7.252  -3.654  -3.206
  135    HB2  PRO  19           HB2      PRO  19   6.723  -6.318  -2.063
  136    HB3  PRO  19           HB3      PRO  19   7.918  -5.836  -3.281
  137    HG2  PRO  19           HG2      PRO  19   8.629  -6.512  -0.774
  138    HG3  PRO  19           HG3      PRO  19   9.497  -5.292  -1.722
  139    HD2  PRO  19           HD2      PRO  19   7.553  -4.909   0.519
  140    HD3  PRO  19           HD3      PRO  19   9.008  -3.979   0.089
  141    H    PHE  20           H        PHE  20   5.409  -4.174  -4.440
  142    HA   PHE  20           HA       PHE  20   2.932  -3.504  -3.345
  143    HB2  PHE  20           HB2      PHE  20   3.412  -3.368  -5.765
  144    HB3  PHE  20           HB3      PHE  20   3.430  -5.127  -5.854
  145    HD1  PHE  20           HD1      PHE  20   1.415  -6.379  -5.955
  146    HD2  PHE  20           HD2      PHE  20   1.305  -2.186  -5.243
  147    HE1  PHE  20           HE1      PHE  20  -1.018  -6.384  -6.326
  148    HE2  PHE  20           HE2      PHE  20  -1.129  -2.183  -5.613
  149    HZ   PHE  20           HZ       PHE  20  -2.293  -4.285  -6.154
  150    H    ASP  21           H        ASP  21   4.373  -6.687  -3.910
  151    HA   ASP  21           HA       ASP  21   2.124  -8.250  -3.343
  152    HB2  ASP  21           HB2      ASP  21   3.725 -10.071  -2.848
  153    HB3  ASP  21           HB3      ASP  21   4.116  -9.229  -4.342
  154    H    GLN  22           H        GLN  22   4.549  -6.877  -1.175
  155    HA   GLN  22           HA       GLN  22   3.432  -8.055   1.172
  156    HB2  GLN  22           HB2      GLN  22   5.778  -7.390   1.126
  157    HB3  GLN  22           HB3      GLN  22   5.328  -5.717   0.843
  158    HG2  GLN  22           HG2      GLN  22   4.126  -5.771   3.047
  159    HG3  GLN  22           HG3      GLN  22   4.872  -7.350   3.318
  160   HE21  GLN  22          HE21      GLN  22   6.026  -6.664   5.085
  161   HE22  GLN  22          HE22      GLN  22   7.386  -5.602   4.960
  162    H    CYS  23           H        CYS  23   3.154  -4.899  -0.431
  163    HA   CYS  23           HA       CYS  23   1.577  -3.663   1.563
  164    HB2  CYS  23           HB2      CYS  23   2.701  -2.527  -0.455
  165    HB3  CYS  23           HB3      CYS  23   1.302  -3.062  -1.385
  166    H    TYR  24           H        TYR  24   0.787  -5.695  -1.173
  167    HA   TYR  24           HA       TYR  24  -2.000  -5.470  -1.120
  168    HB2  TYR  24           HB2      TYR  24  -0.503  -6.641  -2.870
  169    HB3  TYR  24           HB3      TYR  24  -0.544  -8.034  -1.778
  170    HD1  TYR  24           HD1      TYR  24  -2.557  -9.348  -1.522
  171    HD2  TYR  24           HD2      TYR  24  -2.502  -5.911  -4.026
  172    HE1  TYR  24           HE1      TYR  24  -4.678 -10.058  -2.537
  173    HE2  TYR  24           HE2      TYR  24  -4.623  -6.605  -5.043
  174    HH   TYR  24           HH       TYR  24  -6.482  -9.290  -3.784
  175    H    GLN  25           H        GLN  25   0.210  -7.278   0.908
  176    HA   GLN  25           HA       GLN  25  -1.862  -8.991   1.942
  177    HB2  GLN  25           HB2      GLN  25   1.024  -8.533   2.702
  178    HB3  GLN  25           HB3      GLN  25  -0.037  -9.530   3.692
  179    HG2  GLN  25           HG2      GLN  25   0.604 -10.030   0.773
  180    HG3  GLN  25           HG3      GLN  25   1.307 -10.883   2.145
  181   HE21  GLN  25          HE21      GLN  25  -1.502 -10.457   0.164
  182   HE22  GLN  25          HE22      GLN  25  -2.382 -11.824   0.762
  183    H    MET  26           H        MET  26  -0.760  -5.826   2.599
  184    HA   MET  26           HA       MET  26  -1.775  -5.838   5.317
  185    HB2  MET  26           HB2      MET  26   0.238  -4.582   4.973
  186    HB3  MET  26           HB3      MET  26  -0.469  -3.728   3.613
  187    HG2  MET  26           HG2      MET  26  -2.032  -2.599   5.135
  188    HG3  MET  26           HG3      MET  26  -1.291  -3.439   6.498
  189    HE1  MET  26           HE1      MET  26   0.531  -2.013   3.330
  190    HE2  MET  26           HE2      MET  26   1.052  -0.428   3.883
  191    HE3  MET  26           HE3      MET  26  -0.663  -0.751   3.624
  192    H    CYS  27           H        CYS  27  -2.627  -4.349   2.183
  193    HA   CYS  27           HA       CYS  27  -5.058  -3.355   3.498
  194    HB2  CYS  27           HB2      CYS  27  -3.444  -2.234   1.233
  195    HB3  CYS  27           HB3      CYS  27  -5.175  -1.848   1.361
  196    H    SER  28           H        SER  28  -4.310  -5.972   1.664
  197    HA   SER  28           HA       SER  28  -6.512  -6.109  -0.043
  198    HB2  SER  28           HB2      SER  28  -6.404  -8.635   0.397
  199    HB3  SER  28           HB3      SER  28  -4.981  -7.858  -0.305
  200    HG   SER  28           HG       SER  28  -3.891  -8.176   1.492
  201    HA   PRO  29           HA       PRO  29  -9.157  -7.629   3.806
  202    HB2  PRO  29           HB2      PRO  29  -7.764  -6.020   5.885
  203    HB3  PRO  29           HB3      PRO  29  -8.537  -7.614   6.022
  204    HG2  PRO  29           HG2      PRO  29  -5.889  -7.443   5.980
  205    HG3  PRO  29           HG3      PRO  29  -6.717  -8.727   5.062
  206    HD2  PRO  29           HD2      PRO  29  -5.542  -6.137   4.060
  207    HD3  PRO  29           HD3      PRO  29  -5.451  -7.772   3.351
  208    H    LEU  30           H        LEU  30  -7.814  -4.653   2.903
  209    HA   LEU  30           HA       LEU  30  -9.987  -3.038   3.974
  210    HB2  LEU  30           HB2      LEU  30  -7.454  -2.378   3.785
  211    HB3  LEU  30           HB3      LEU  30  -7.849  -2.065   2.087
  212    HG   LEU  30           HG       LEU  30  -8.934  -0.638   4.533
  213   HD11  LEU  30          HD11      LEU  30  -6.718   0.061   3.823
  214   HD12  LEU  30          HD12      LEU  30  -7.898   1.316   3.449
  215   HD13  LEU  30          HD13      LEU  30  -7.290   0.268   2.168
  216   HD21  LEU  30          HD21      LEU  30 -10.266   0.738   3.042
  217   HD22  LEU  30          HD22      LEU  30 -10.745  -0.953   2.875
  218   HD23  LEU  30          HD23      LEU  30  -9.728  -0.198   1.649
  219    H    GLU  31           H        GLU  31  -8.459  -3.317   0.764
  220    HA   GLU  31           HA       GLU  31 -10.930  -2.459  -0.472
  221    HB2  GLU  31           HB2      GLU  31  -8.440  -1.879  -1.144
  222    HB3  GLU  31           HB3      GLU  31  -8.573  -3.380  -2.068
  223    HG2  GLU  31           HG2      GLU  31 -10.472  -1.042  -2.355
  224    HG3  GLU  31           HG3      GLU  31  -9.049  -1.304  -3.370
  225    H    ARG  32           H        ARG  32  -8.758  -5.135  -1.349
  226    HA   ARG  32           HA       ARG  32 -10.884  -7.078  -1.286
  227    HB2  ARG  32           HB2      ARG  32  -9.842  -5.957  -3.876
  228    HB3  ARG  32           HB3      ARG  32 -10.326  -7.654  -3.801
  229    HG2  ARG  32           HG2      ARG  32 -12.596  -7.030  -3.207
  230    HG3  ARG  32           HG3      ARG  32 -12.130  -5.335  -3.047
  231    HD2  ARG  32           HD2      ARG  32 -13.340  -5.988  -5.167
  232    HD3  ARG  32           HD3      ARG  32 -11.843  -5.086  -5.375
  233    HE   ARG  32           HE       ARG  32 -11.415  -7.909  -5.474
  234   HH11  ARG  32          HH11      ARG  32 -12.549  -5.179  -7.329
  235   HH12  ARG  32          HH12      ARG  32 -12.156  -5.888  -8.862
  236   HH21  ARG  32          HH21      ARG  32 -10.867  -8.849  -7.482
  237   HH22  ARG  32          HH22      ARG  32 -11.197  -7.985  -8.949
  238    H    SER  33           H        SER  33 -10.124  -9.204  -1.486
  239    HA   SER  33           HA       SER  33  -7.187  -9.429  -1.306
  240    HB2  SER  33           HB2      SER  33  -9.235 -11.294  -0.055
  241    HB3  SER  33           HB3      SER  33  -7.489 -11.325   0.184
  242    HG   SER  33           HG       SER  33  -9.166  -9.139   0.876
  Start of MODEL   19
    1    HA   ALA   1           HA       ALA   1 -16.823   1.161   0.742
    2    HB1  ALA   1           HB1      ALA   1 -14.135  -0.140   1.156
    3    HB2  ALA   1           HB2      ALA   1 -15.692  -0.967   1.186
    4    HB3  ALA   1           HB3      ALA   1 -15.315   0.245   2.410
    5    H    SER   2           H        SER   2 -13.443   1.747  -0.260
    6    HA   SER   2           HA       SER   2 -13.639   4.535   0.495
    7    HB2  SER   2           HB2      SER   2 -13.185   3.226   2.664
    8    HB3  SER   2           HB3      SER   2 -11.611   2.836   1.973
    9    HG   SER   2           HG       SER   2 -12.337   5.514   1.930
   10    HA   PRO   3           HA       PRO   3 -10.912   3.186  -3.117
   11    HB2  PRO   3           HB2      PRO   3 -11.921   5.826  -4.061
   12    HB3  PRO   3           HB3      PRO   3 -11.743   4.295  -4.946
   13    HG2  PRO   3           HG2      PRO   3 -14.141   5.141  -4.160
   14    HG3  PRO   3           HG3      PRO   3 -13.703   3.422  -4.099
   15    HD2  PRO   3           HD2      PRO   3 -13.921   5.388  -1.839
   16    HD3  PRO   3           HD3      PRO   3 -14.294   3.637  -1.874
   17    H    GLN   4           H        GLN   4 -11.222   6.591  -2.045
   18    HA   GLN   4           HA       GLN   4  -8.638   7.310  -2.909
   19    HB2  GLN   4           HB2      GLN   4 -10.487   8.607  -0.912
   20    HB3  GLN   4           HB3      GLN   4  -8.932   9.295  -1.349
   21    HG2  GLN   4           HG2      GLN   4  -9.658   9.479  -3.681
   22    HG3  GLN   4           HG3      GLN   4 -11.219   8.778  -3.255
   23   HE21  GLN   4          HE21      GLN   4 -10.632  11.395  -4.403
   24   HE22  GLN   4          HE22      GLN   4 -11.274  12.561  -3.292
   25    H    GLN   5           H        GLN   5  -9.838   6.327   0.256
   26    HA   GLN   5           HA       GLN   5  -7.361   6.782   1.568
   27    HB2  GLN   5           HB2      GLN   5  -9.788   5.194   2.363
   28    HB3  GLN   5           HB3      GLN   5  -8.360   5.314   3.381
   29    HG2  GLN   5           HG2      GLN   5  -9.991   7.665   2.422
   30    HG3  GLN   5           HG3      GLN   5 -10.129   6.919   4.013
   31   HE21  GLN   5          HE21      GLN   5  -7.239   6.448   4.217
   32   HE22  GLN   5          HE22      GLN   5  -6.532   7.994   4.539
   33    H    ALA   6           H        ALA   6  -8.832   3.949   0.076
   34    HA   ALA   6           HA       ALA   6  -6.764   2.143   0.808
   35    HB1  ALA   6           HB1      ALA   6  -8.939   1.331   0.067
   36    HB2  ALA   6           HB2      ALA   6  -7.650   0.697  -0.958
   37    HB3  ALA   6           HB3      ALA   6  -8.662   2.019  -1.535
   38    H    LYS   7           H        LYS   7  -7.264   4.292  -1.945
   39    HA   LYS   7           HA       LYS   7  -5.057   3.421  -3.477
   40    HB2  LYS   7           HB2      LYS   7  -6.891   4.839  -4.369
   41    HB3  LYS   7           HB3      LYS   7  -6.310   6.176  -3.392
   42    HG2  LYS   7           HG2      LYS   7  -5.621   6.380  -5.723
   43    HG3  LYS   7           HG3      LYS   7  -4.224   6.235  -4.625
   44    HD2  LYS   7           HD2      LYS   7  -3.863   4.847  -6.602
   45    HD3  LYS   7           HD3      LYS   7  -4.090   3.817  -5.184
   46    HE2  LYS   7           HE2      LYS   7  -5.328   2.907  -7.071
   47    HE3  LYS   7           HE3      LYS   7  -6.442   3.479  -5.833
   48    HZ1  LYS   7           HZ1      LYS   7  -5.702   4.985  -8.281
   49    HZ2  LYS   7           HZ2      LYS   7  -6.834   5.466  -7.119
   50    HZ3  LYS   7           HZ3      LYS   7  -7.130   4.104  -8.074
   51    H    TYR   8           H        TYR   8  -5.398   5.753  -0.880
   52    HA   TYR   8           HA       TYR   8  -2.820   6.861  -0.933
   53    HB2  TYR   8           HB2      TYR   8  -4.659   7.816   0.387
   54    HB3  TYR   8           HB3      TYR   8  -4.667   6.385   1.419
   55    HD1  TYR   8           HD1      TYR   8  -3.248   6.230   3.279
   56    HD2  TYR   8           HD2      TYR   8  -2.624   9.310   0.417
   57    HE1  TYR   8           HE1      TYR   8  -1.645   7.301   4.797
   58    HE2  TYR   8           HE2      TYR   8  -1.018  10.399   1.930
   59    HH   TYR   8           HH       TYR   8  -0.423  10.474   4.254
   60    H    CYS   9           H        CYS   9  -4.103   3.964   0.617
   61    HA   CYS   9           HA       CYS   9  -1.755   3.244   2.019
   62    HB2  CYS   9           HB2      CYS   9  -4.064   2.295   2.420
   63    HB3  CYS   9           HB3      CYS   9  -3.868   1.337   0.946
   64    H    TYR  10           H        TYR  10  -3.029   2.207  -1.136
   65    HA   TYR  10           HA       TYR  10  -0.846   0.537  -1.807
   66    HB2  TYR  10           HB2      TYR  10  -2.996   1.879  -3.445
   67    HB3  TYR  10           HB3      TYR  10  -1.698   0.964  -4.210
   68    HD1  TYR  10           HD1      TYR  10  -1.446  -1.463  -3.669
   69    HD2  TYR  10           HD2      TYR  10  -4.866   0.782  -2.496
   70    HE1  TYR  10           HE1      TYR  10  -2.718  -3.546  -3.407
   71    HE2  TYR  10           HE2      TYR  10  -6.140  -1.292  -2.231
   72    HH   TYR  10           HH       TYR  10  -6.068  -3.611  -3.152
   73    H    GLU  11           H        GLU  11  -1.309   3.977  -2.042
   74    HA   GLU  11           HA       GLU  11   0.844   4.333  -3.899
   75    HB2  GLU  11           HB2      GLU  11  -1.123   5.894  -3.719
   76    HB3  GLU  11           HB3      GLU  11  -0.472   6.447  -2.162
   77    HG2  GLU  11           HG2      GLU  11   1.580   7.173  -3.323
   78    HG3  GLU  11           HG3      GLU  11   0.839   6.695  -4.869
   79    H    GLN  12           H        GLN  12   0.413   4.910  -0.394
   80    HA   GLN  12           HA       GLN  12   3.084   5.926  -0.168
   81    HB2  GLN  12           HB2      GLN  12   0.940   5.334   1.870
   82    HB3  GLN  12           HB3      GLN  12   2.510   5.998   2.290
   83    HG2  GLN  12           HG2      GLN  12   0.890   7.337   0.196
   84    HG3  GLN  12           HG3      GLN  12   0.454   7.543   1.888
   85   HE21  GLN  12          HE21      GLN  12   3.760   7.059   0.974
   86   HE22  GLN  12          HE22      GLN  12   4.291   8.673   1.292
   87    H    CYS  13           H        CYS  13   1.665   2.802   0.049
   88    HA   CYS  13           HA       CYS  13   3.286   1.599   1.978
   89    HB2  CYS  13           HB2      CYS  13   2.726  -0.537   0.878
   90    HB3  CYS  13           HB3      CYS  13   1.296   0.497   0.981
   91    H    ASN  14           H        ASN  14   3.793   1.643  -1.564
   92    HA   ASN  14           HA       ASN  14   6.441   0.582  -1.315
   93    HB2  ASN  14           HB2      ASN  14   6.607   1.246  -3.769
   94    HB3  ASN  14           HB3      ASN  14   5.348   0.089  -3.360
   95   HD21  ASN  14          HD21      ASN  14   3.147   0.784  -3.434
   96   HD22  ASN  14          HD22      ASN  14   2.695   2.235  -4.258
   97    H    VAL  15           H        VAL  15   5.101   3.811  -1.494
   98    HA   VAL  15           HA       VAL  15   7.470   5.181  -2.136
   99    HB   VAL  15           HB       VAL  15   5.050   6.120  -0.587
  100   HG11  VAL  15          HG11      VAL  15   5.873   8.402  -0.952
  101   HG12  VAL  15          HG12      VAL  15   7.351   7.755  -1.665
  102   HG13  VAL  15          HG13      VAL  15   6.995   7.466   0.038
  103   HG21  VAL  15          HG21      VAL  15   4.479   7.275  -2.659
  104   HG22  VAL  15          HG22      VAL  15   4.644   5.543  -2.943
  105   HG23  VAL  15          HG23      VAL  15   5.933   6.644  -3.428
  106    H    ASN  16           H        ASN  16   6.034   4.294   0.996
  107    HA   ASN  16           HA       ASN  16   8.101   5.459   2.552
  108    HB2  ASN  16           HB2      ASN  16   6.190   3.186   3.188
  109    HB3  ASN  16           HB3      ASN  16   7.280   3.929   4.367
  110   HD21  ASN  16          HD21      ASN  16   4.367   3.839   4.440
  111   HD22  ASN  16          HD22      ASN  16   3.841   5.487   4.451
  112    H    LYS  17           H        LYS  17   7.499   1.951   2.395
  113    HA   LYS  17           HA       LYS  17   9.654   1.259   0.816
  114    HB2  LYS  17           HB2      LYS  17  10.968   2.190   2.769
  115    HB3  LYS  17           HB3      LYS  17  10.333   0.844   3.725
  116    HG2  LYS  17           HG2      LYS  17  11.397  -0.748   2.204
  117    HG3  LYS  17           HG3      LYS  17  12.028   0.591   1.233
  118    HD2  LYS  17           HD2      LYS  17  13.212   1.426   3.299
  119    HD3  LYS  17           HD3      LYS  17  12.675  -0.057   4.116
  120    HE2  LYS  17           HE2      LYS  17  13.878  -1.411   2.484
  121    HE3  LYS  17           HE3      LYS  17  14.396   0.045   1.636
  122    HZ1  LYS  17           HZ1      LYS  17  15.635   0.723   3.568
  123    HZ2  LYS  17           HZ2      LYS  17  16.105  -0.842   3.131
  124    HZ3  LYS  17           HZ3      LYS  17  15.076  -0.607   4.450
  125    H    VAL  18           H        VAL  18   7.771  -0.120   0.199
  126    HA   VAL  18           HA       VAL  18   8.154  -2.679   1.538
  127    HB   VAL  18           HB       VAL  18   5.950  -3.250   1.952
  128   HG11  VAL  18          HG11      VAL  18   6.595  -1.461   3.492
  129   HG12  VAL  18          HG12      VAL  18   4.855  -1.508   3.212
  130   HG13  VAL  18          HG13      VAL  18   5.841  -0.274   2.426
  131   HG21  VAL  18          HG21      VAL  18   5.102  -2.783  -0.260
  132   HG22  VAL  18          HG22      VAL  18   5.015  -1.058   0.110
  133   HG23  VAL  18          HG23      VAL  18   3.979  -2.201   0.974
  134    HA   PRO  19           HA       PRO  19   8.062  -4.087  -2.747
  135    HB2  PRO  19           HB2      PRO  19   7.358  -6.699  -1.573
  136    HB3  PRO  19           HB3      PRO  19   8.762  -6.260  -2.563
  137    HG2  PRO  19           HG2      PRO  19   9.022  -6.788   0.050
  138    HG3  PRO  19           HG3      PRO  19   9.996  -5.545  -0.756
  139    HD2  PRO  19           HD2      PRO  19   7.568  -5.199   0.983
  140    HD3  PRO  19           HD3      PRO  19   9.080  -4.257   0.930
  141    H    PHE  20           H        PHE  20   6.415  -4.869  -4.249
  142    HA   PHE  20           HA       PHE  20   3.856  -3.960  -3.710
  143    HB2  PHE  20           HB2      PHE  20   4.621  -4.363  -6.006
  144    HB3  PHE  20           HB3      PHE  20   4.597  -6.100  -5.721
  145    HD1  PHE  20           HD1      PHE  20   2.493  -3.089  -6.010
  146    HD2  PHE  20           HD2      PHE  20   2.576  -7.339  -5.828
  147    HE1  PHE  20           HE1      PHE  20   0.124  -3.160  -6.666
  148    HE2  PHE  20           HE2      PHE  20   0.209  -7.418  -6.488
  149    HZ   PHE  20           HZ       PHE  20  -1.019  -5.328  -6.905
  150    H    ASP  21           H        ASP  21   5.080  -7.280  -3.399
  151    HA   ASP  21           HA       ASP  21   2.635  -8.521  -2.883
  152    HB2  ASP  21           HB2      ASP  21   3.892 -10.340  -1.864
  153    HB3  ASP  21           HB3      ASP  21   4.682  -9.804  -3.340
  154    H    GLN  22           H        GLN  22   4.826  -6.821  -0.712
  155    HA   GLN  22           HA       GLN  22   3.381  -7.431   1.658
  156    HB2  GLN  22           HB2      GLN  22   5.733  -6.717   1.690
  157    HB3  GLN  22           HB3      GLN  22   5.250  -5.122   1.115
  158    HG2  GLN  22           HG2      GLN  22   5.605  -5.074   3.493
  159    HG3  GLN  22           HG3      GLN  22   3.889  -4.826   3.132
  160   HE21  GLN  22          HE21      GLN  22   3.251  -5.496   5.183
  161   HE22  GLN  22          HE22      GLN  22   3.298  -7.162   5.659
  162    H    CYS  23           H        CYS  23   3.241  -4.833  -0.718
  163    HA   CYS  23           HA       CYS  23   1.407  -3.196   0.712
  164    HB2  CYS  23           HB2      CYS  23   2.766  -2.495  -1.347
  165    HB3  CYS  23           HB3      CYS  23   1.566  -3.363  -2.308
  166    H    TYR  24           H        TYR  24   0.993  -5.754  -1.691
  167    HA   TYR  24           HA       TYR  24  -1.828  -5.754  -1.732
  168    HB2  TYR  24           HB2      TYR  24  -0.435  -6.865  -3.447
  169    HB3  TYR  24           HB3      TYR  24   0.117  -8.033  -2.236
  170    HD1  TYR  24           HD1      TYR  24  -2.846  -6.860  -4.112
  171    HD2  TYR  24           HD2      TYR  24  -1.155  -9.947  -1.728
  172    HE1  TYR  24           HE1      TYR  24  -4.738  -8.315  -4.668
  173    HE2  TYR  24           HE2      TYR  24  -3.045 -11.412  -2.277
  174    HH   TYR  24           HH       TYR  24  -5.274 -11.338  -3.061
  175    H    GLN  25           H        GLN  25   0.492  -7.035   0.506
  176    HA   GLN  25           HA       GLN  25  -1.249  -8.931   1.739
  177    HB2  GLN  25           HB2      GLN  25   1.272  -9.012   1.759
  178    HB3  GLN  25           HB3      GLN  25   1.249  -7.641   2.867
  179    HG2  GLN  25           HG2      GLN  25   1.567  -9.724   4.076
  180    HG3  GLN  25           HG3      GLN  25   0.021  -8.992   4.506
  181   HE21  GLN  25          HE21      GLN  25   1.585 -11.573   2.766
  182   HE22  GLN  25          HE22      GLN  25   0.183 -12.576   2.602
  183    H    MET  26           H        MET  26  -0.312  -5.586   2.355
  184    HA   MET  26           HA       MET  26  -1.862  -5.535   4.809
  185    HB2  MET  26           HB2      MET  26   0.255  -4.472   4.978
  186    HB3  MET  26           HB3      MET  26  -0.002  -3.576   3.490
  187    HG2  MET  26           HG2      MET  26  -1.762  -2.260   4.595
  188    HG3  MET  26           HG3      MET  26  -1.464  -3.144   6.092
  189    HE1  MET  26           HE1      MET  26   1.427  -2.078   3.589
  190    HE2  MET  26           HE2      MET  26   1.744  -0.436   4.145
  191    HE3  MET  26           HE3      MET  26   0.208  -0.822   3.372
  192    H    CYS  27           H        CYS  27  -1.848  -3.766   1.693
  193    HA   CYS  27           HA       CYS  27  -4.057  -2.132   2.578
  194    HB2  CYS  27           HB2      CYS  27  -2.738  -2.257  -0.156
  195    HB3  CYS  27           HB3      CYS  27  -3.864  -1.010   0.415
  196    H    SER  28           H        SER  28  -3.723  -4.950   0.502
  197    HA   SER  28           HA       SER  28  -6.128  -4.605  -0.884
  198    HB2  SER  28           HB2      SER  28  -4.701  -7.199  -0.333
  199    HB3  SER  28           HB3      SER  28  -5.927  -6.915  -1.580
  200    HG   SER  28           HG       SER  28  -4.423  -5.156  -2.270
  201    HA   PRO  29           HA       PRO  29  -8.197  -7.476   2.589
  202    HB2  PRO  29           HB2      PRO  29  -6.523  -6.342   4.789
  203    HB3  PRO  29           HB3      PRO  29  -7.297  -7.938   4.673
  204    HG2  PRO  29           HG2      PRO  29  -4.695  -7.735   4.246
  205    HG3  PRO  29           HG3      PRO  29  -5.690  -8.751   3.174
  206    HD2  PRO  29           HD2      PRO  29  -4.562  -6.009   2.682
  207    HD3  PRO  29           HD3      PRO  29  -4.708  -7.390   1.568
  208    H    LEU  30           H        LEU  30  -6.835  -4.277   3.079
  209    HA   LEU  30           HA       LEU  30  -8.974  -3.107   4.521
  210    HB2  LEU  30           HB2      LEU  30  -6.607  -2.204   4.196
  211    HB3  LEU  30           HB3      LEU  30  -7.101  -1.741   2.560
  212    HG   LEU  30           HG       LEU  30  -8.230  -0.625   5.153
  213   HD11  LEU  30          HD11      LEU  30  -7.084   1.436   4.431
  214   HD12  LEU  30          HD12      LEU  30  -6.389   0.557   3.067
  215   HD13  LEU  30          HD13      LEU  30  -5.953   0.112   4.719
  216   HD21  LEU  30          HD21      LEU  30  -8.759   0.265   2.311
  217   HD22  LEU  30          HD22      LEU  30  -9.430   0.963   3.786
  218   HD23  LEU  30          HD23      LEU  30  -9.882  -0.672   3.298
  219    H    GLU  31           H        GLU  31  -8.158  -3.242   1.111
  220    HA   GLU  31           HA       GLU  31 -10.379  -1.664   0.272
  221    HB2  GLU  31           HB2      GLU  31  -8.098  -1.873  -0.858
  222    HB3  GLU  31           HB3      GLU  31  -8.658  -3.433  -1.472
  223    HG2  GLU  31           HG2      GLU  31 -10.269  -0.962  -2.001
  224    HG3  GLU  31           HG3      GLU  31  -8.824  -1.309  -2.962
  225    H    ARG  32           H        ARG  32  -9.626  -5.139   0.053
  226    HA   ARG  32           HA       ARG  32 -12.521  -5.674   0.017
  227    HB2  ARG  32           HB2      ARG  32 -10.504  -7.144  -1.719
  228    HB3  ARG  32           HB3      ARG  32 -12.210  -7.557  -1.564
  229    HG2  ARG  32           HG2      ARG  32 -11.082  -5.032  -2.808
  230    HG3  ARG  32           HG3      ARG  32 -11.750  -6.408  -3.680
  231    HD2  ARG  32           HD2      ARG  32 -13.156  -4.318  -2.056
  232    HD3  ARG  32           HD3      ARG  32 -13.479  -4.871  -3.692
  233    HE   ARG  32           HE       ARG  32 -13.921  -6.933  -1.766
  234   HH11  ARG  32          HH11      ARG  32 -15.325  -4.105  -3.263
  235   HH12  ARG  32          HH12      ARG  32 -16.958  -4.574  -2.923
  236   HH21  ARG  32          HH21      ARG  32 -16.068  -7.561  -1.314
  237   HH22  ARG  32          HH22      ARG  32 -17.381  -6.550  -1.821
  238    H    SER  33           H        SER  33 -13.133  -7.470   1.202
  239    HA   SER  33           HA       SER  33 -11.154  -9.340   2.164
  240    HB2  SER  33           HB2      SER  33 -10.937  -7.333   3.704
  241    HB3  SER  33           HB3      SER  33 -12.595  -7.636   4.217
  242    HG   SER  33           HG       SER  33 -10.953  -9.848   4.313
  Start of MODEL   20
    1    HA   ALA   1           HA       ALA   1 -15.767   1.102  -1.244
    2    HB1  ALA   1           HB1      ALA   1 -17.911   2.398   0.433
    3    HB2  ALA   1           HB2      ALA   1 -18.188   1.450  -1.026
    4    HB3  ALA   1           HB3      ALA   1 -17.305   2.974  -1.121
    5    H    SER   2           H        SER   2 -13.720   1.613  -0.725
    6    HA   SER   2           HA       SER   2 -13.336   3.902   1.044
    7    HB2  SER   2           HB2      SER   2 -11.789   1.298   1.379
    8    HB3  SER   2           HB3      SER   2 -11.429   2.801   2.222
    9    HG   SER   2           HG       SER   2 -13.943   2.425   2.680
   10    HA   PRO   3           HA       PRO   3 -11.259   3.389  -3.202
   11    HB2  PRO   3           HB2      PRO   3 -12.126   6.196  -3.570
   12    HB3  PRO   3           HB3      PRO   3 -12.314   4.798  -4.651
   13    HG2  PRO   3           HG2      PRO   3 -14.396   5.810  -3.313
   14    HG3  PRO   3           HG3      PRO   3 -14.222   4.068  -3.600
   15    HD2  PRO   3           HD2      PRO   3 -13.711   5.614  -1.067
   16    HD3  PRO   3           HD3      PRO   3 -14.418   3.985  -1.290
   17    H    GLN   4           H        GLN   4 -11.203   6.698  -1.865
   18    HA   GLN   4           HA       GLN   4  -8.603   7.212  -2.781
   19    HB2  GLN   4           HB2      GLN   4 -10.187   9.002  -2.307
   20    HB3  GLN   4           HB3      GLN   4 -10.204   8.570  -0.603
   21    HG2  GLN   4           HG2      GLN   4  -7.832   9.174  -0.434
   22    HG3  GLN   4           HG3      GLN   4  -7.835   9.644  -2.132
   23   HE21  GLN   4          HE21      GLN   4 -10.518  10.221   0.037
   24   HE22  GLN   4          HE22      GLN   4 -10.353  11.944   0.084
   25    H    GLN   5           H        GLN   5  -9.803   6.044   0.310
   26    HA   GLN   5           HA       GLN   5  -7.367   6.272   1.721
   27    HB2  GLN   5           HB2      GLN   5  -9.711   4.427   2.146
   28    HB3  GLN   5           HB3      GLN   5  -8.342   4.511   3.238
   29    HG2  GLN   5           HG2      GLN   5  -8.840   6.877   3.674
   30    HG3  GLN   5           HG3      GLN   5 -10.230   6.776   2.595
   31   HE21  GLN   5          HE21      GLN   5  -9.256   4.199   4.761
   32   HE22  GLN   5          HE22      GLN   5 -10.620   4.323   5.821
   33    H    ALA   6           H        ALA   6  -8.781   3.638  -0.159
   34    HA   ALA   6           HA       ALA   6  -6.703   1.776   0.266
   35    HB1  ALA   6           HB1      ALA   6  -8.853   1.082  -0.641
   36    HB2  ALA   6           HB2      ALA   6  -7.554   0.651  -1.755
   37    HB3  ALA   6           HB3      ALA   6  -8.573   2.048  -2.092
   38    H    LYS   7           H        LYS   7  -7.200   4.295  -2.159
   39    HA   LYS   7           HA       LYS   7  -4.936   3.675  -3.743
   40    HB2  LYS   7           HB2      LYS   7  -6.388   6.306  -3.381
   41    HB3  LYS   7           HB3      LYS   7  -5.184   5.998  -4.620
   42    HG2  LYS   7           HG2      LYS   7  -7.852   4.623  -4.317
   43    HG3  LYS   7           HG3      LYS   7  -7.399   5.831  -5.549
   44    HD2  LYS   7           HD2      LYS   7  -5.710   4.281  -6.445
   45    HD3  LYS   7           HD3      LYS   7  -6.132   3.091  -5.209
   46    HE2  LYS   7           HE2      LYS   7  -7.928   4.115  -7.413
   47    HE3  LYS   7           HE3      LYS   7  -7.218   2.503  -7.304
   48    HZ1  LYS   7           HZ1      LYS   7  -8.495   2.159  -5.252
   49    HZ2  LYS   7           HZ2      LYS   7  -9.493   2.448  -6.583
   50    HZ3  LYS   7           HZ3      LYS   7  -9.225   3.673  -5.452
   51    H    TYR   8           H        TYR   8  -5.413   5.732  -0.939
   52    HA   TYR   8           HA       TYR   8  -2.854   6.907  -0.868
   53    HB2  TYR   8           HB2      TYR   8  -4.854   7.672   0.437
   54    HB3  TYR   8           HB3      TYR   8  -4.653   6.260   1.474
   55    HD1  TYR   8           HD1      TYR   8  -3.175   6.305   3.298
   56    HD2  TYR   8           HD2      TYR   8  -2.990   9.375   0.360
   57    HE1  TYR   8           HE1      TYR   8  -1.654   7.585   4.744
   58    HE2  TYR   8           HE2      TYR   8  -1.468  10.664   1.794
   59    HH   TYR   8           HH       TYR   8   0.097   9.352   4.469
   60    H    CYS   9           H        CYS   9  -4.159   3.938   0.524
   61    HA   CYS   9           HA       CYS   9  -1.875   3.194   1.996
   62    HB2  CYS   9           HB2      CYS   9  -4.160   2.186   2.264
   63    HB3  CYS   9           HB3      CYS   9  -3.916   1.325   0.739
   64    H    TYR  10           H        TYR  10  -2.947   2.227  -1.271
   65    HA   TYR  10           HA       TYR  10  -0.659   0.650  -1.822
   66    HB2  TYR  10           HB2      TYR  10  -2.742   1.925  -3.606
   67    HB3  TYR  10           HB3      TYR  10  -1.384   1.008  -4.263
   68    HD1  TYR  10           HD1      TYR  10  -4.671   0.823  -2.831
   69    HD2  TYR  10           HD2      TYR  10  -1.123  -1.410  -3.555
   70    HE1  TYR  10           HE1      TYR  10  -5.930  -1.261  -2.556
   71    HE2  TYR  10           HE2      TYR  10  -2.376  -3.505  -3.277
   72    HH   TYR  10           HH       TYR  10  -5.777  -3.609  -3.222
   73    H    GLU  11           H        GLU  11  -1.257   4.072  -2.041
   74    HA   GLU  11           HA       GLU  11   1.007   4.612  -3.686
   75    HB2  GLU  11           HB2      GLU  11  -0.876   6.199  -3.533
   76    HB3  GLU  11           HB3      GLU  11  -0.503   6.477  -1.820
   77    HG2  GLU  11           HG2      GLU  11   1.749   7.296  -2.543
   78    HG3  GLU  11           HG3      GLU  11   1.163   7.209  -4.220
   79    H    GLN  12           H        GLN  12   0.406   4.953  -0.167
   80    HA   GLN  12           HA       GLN  12   3.039   5.966   0.249
   81    HB2  GLN  12           HB2      GLN  12   0.940   5.088   2.240
   82    HB3  GLN  12           HB3      GLN  12   2.442   5.889   2.651
   83    HG2  GLN  12           HG2      GLN  12   0.610   7.151   0.688
   84    HG3  GLN  12           HG3      GLN  12   0.247   7.238   2.403
   85   HE21  GLN  12          HE21      GLN  12   3.521   7.178   1.241
   86   HE22  GLN  12          HE22      GLN  12   3.891   8.828   1.610
   87    H    CYS  13           H        CYS  13   1.688   2.790   0.195
   88    HA   CYS  13           HA       CYS  13   3.399   1.513   2.013
   89    HB2  CYS  13           HB2      CYS  13   2.819  -0.568   0.864
   90    HB3  CYS  13           HB3      CYS  13   1.376   0.444   1.004
   91    H    ASN  14           H        ASN  14   3.764   1.882  -1.527
   92    HA   ASN  14           HA       ASN  14   6.458   0.863  -1.409
   93    HB2  ASN  14           HB2      ASN  14   6.560   1.275  -3.799
   94    HB3  ASN  14           HB3      ASN  14   5.044   0.483  -3.406
   95   HD21  ASN  14          HD21      ASN  14   3.072   1.746  -3.558
   96   HD22  ASN  14          HD22      ASN  14   3.055   3.224  -4.459
   97    H    VAL  15           H        VAL  15   4.981   4.030  -1.365
   98    HA   VAL  15           HA       VAL  15   7.271   5.542  -2.000
   99    HB   VAL  15           HB       VAL  15   4.878   6.288  -0.311
  100   HG11  VAL  15          HG11      VAL  15   5.611   8.631  -0.606
  101   HG12  VAL  15          HG12      VAL  15   7.105   8.050  -1.338
  102   HG13  VAL  15          HG13      VAL  15   6.752   7.684   0.350
  103   HG21  VAL  15          HG21      VAL  15   4.369   5.863  -2.668
  104   HG22  VAL  15          HG22      VAL  15   5.630   6.999  -3.151
  105   HG23  VAL  15          HG23      VAL  15   4.205   7.578  -2.287
  106    H    ASN  16           H        ASN  16   6.136   4.120   1.029
  107    HA   ASN  16           HA       ASN  16   8.218   5.373   2.576
  108    HB2  ASN  16           HB2      ASN  16   6.430   3.006   3.229
  109    HB3  ASN  16           HB3      ASN  16   7.548   3.772   4.364
  110   HD21  ASN  16          HD21      ASN  16   6.961   6.448   3.240
  111   HD22  ASN  16          HD22      ASN  16   5.411   6.874   3.886
  112    H    LYS  17           H        LYS  17   7.681   1.874   2.272
  113    HA   LYS  17           HA       LYS  17   9.760   1.277   0.581
  114    HB2  LYS  17           HB2      LYS  17  11.213   2.164   2.427
  115    HB3  LYS  17           HB3      LYS  17  10.600   0.868   3.463
  116    HG2  LYS  17           HG2      LYS  17  12.589  -0.031   2.761
  117    HG3  LYS  17           HG3      LYS  17  11.480  -0.694   1.556
  118    HD2  LYS  17           HD2      LYS  17  12.142   1.145  -0.020
  119    HD3  LYS  17           HD3      LYS  17  13.259   1.748   1.222
  120    HE2  LYS  17           HE2      LYS  17  14.495  -0.347   1.141
  121    HE3  LYS  17           HE3      LYS  17  13.378  -0.976  -0.069
  122    HZ1  LYS  17           HZ1      LYS  17  15.197   1.350  -0.386
  123    HZ2  LYS  17           HZ2      LYS  17  14.065   0.852  -1.537
  124    HZ3  LYS  17           HZ3      LYS  17  15.353  -0.160  -1.131
  125    H    VAL  18           H        VAL  18   7.946  -0.171  -0.007
  126    HA   VAL  18           HA       VAL  18   8.324  -2.710   1.375
  127    HB   VAL  18           HB       VAL  18   6.105  -3.248   1.810
  128   HG11  VAL  18          HG11      VAL  18   6.835  -1.537   3.385
  129   HG12  VAL  18          HG12      VAL  18   5.094  -1.472   3.118
  130   HG13  VAL  18          HG13      VAL  18   6.147  -0.281   2.354
  131   HG21  VAL  18          HG21      VAL  18   5.191  -0.982   0.049
  132   HG22  VAL  18          HG22      VAL  18   4.150  -2.132   0.895
  133   HG23  VAL  18          HG23      VAL  18   5.234  -2.692  -0.381
  134    HA   PRO  19           HA       PRO  19   8.095  -4.231  -2.855
  135    HB2  PRO  19           HB2      PRO  19   7.313  -6.785  -1.611
  136    HB3  PRO  19           HB3      PRO  19   8.715  -6.422  -2.633
  137    HG2  PRO  19           HG2      PRO  19   8.985  -6.899  -0.003
  138    HG3  PRO  19           HG3      PRO  19  10.008  -5.730  -0.859
  139    HD2  PRO  19           HD2      PRO  19   7.641  -5.218   0.916
  140    HD3  PRO  19           HD3      PRO  19   9.186  -4.340   0.788
  141    H    PHE  20           H        PHE  20   6.416  -4.980  -4.310
  142    HA   PHE  20           HA       PHE  20   3.874  -3.996  -3.778
  143    HB2  PHE  20           HB2      PHE  20   4.728  -4.479  -6.062
  144    HB3  PHE  20           HB3      PHE  20   4.538  -6.199  -5.746
  145    HD1  PHE  20           HD1      PHE  20   2.396  -7.252  -5.826
  146    HD2  PHE  20           HD2      PHE  20   2.753  -3.032  -6.248
  147    HE1  PHE  20           HE1      PHE  20   0.064  -7.136  -6.599
  148    HE2  PHE  20           HE2      PHE  20   0.419  -2.910  -7.020
  149    HZ   PHE  20           HZ       PHE  20  -0.927  -4.965  -7.196
  150    H    ASP  21           H        ASP  21   5.046  -7.333  -3.472
  151    HA   ASP  21           HA       ASP  21   2.627  -8.561  -2.840
  152    HB2  ASP  21           HB2      ASP  21   4.018 -10.284  -1.667
  153    HB3  ASP  21           HB3      ASP  21   4.529  -9.938  -3.316
  154    H    GLN  22           H        GLN  22   4.900  -6.859  -0.735
  155    HA   GLN  22           HA       GLN  22   3.524  -7.380   1.685
  156    HB2  GLN  22           HB2      GLN  22   5.844  -6.625   1.657
  157    HB3  GLN  22           HB3      GLN  22   5.353  -5.088   0.955
  158    HG2  GLN  22           HG2      GLN  22   5.747  -4.816   3.306
  159    HG3  GLN  22           HG3      GLN  22   4.020  -4.623   2.968
  160   HE21  GLN  22          HE21      GLN  22   2.582  -6.163   3.684
  161   HE22  GLN  22          HE22      GLN  22   3.003  -7.358   4.866
  162    H    CYS  23           H        CYS  23   3.314  -4.805  -0.721
  163    HA   CYS  23           HA       CYS  23   1.511  -3.154   0.717
  164    HB2  CYS  23           HB2      CYS  23   2.823  -2.496  -1.386
  165    HB3  CYS  23           HB3      CYS  23   1.596  -3.373  -2.303
  166    H    TYR  24           H        TYR  24   1.025  -5.783  -1.581
  167    HA   TYR  24           HA       TYR  24  -1.774  -5.724  -1.698
  168    HB2  TYR  24           HB2      TYR  24  -0.393  -7.048  -3.247
  169    HB3  TYR  24           HB3      TYR  24   0.110  -8.098  -1.911
  170    HD1  TYR  24           HD1      TYR  24  -1.272  -9.877  -1.164
  171    HD2  TYR  24           HD2      TYR  24  -2.741  -7.101  -4.024
  172    HE1  TYR  24           HE1      TYR  24  -3.194 -11.341  -1.589
  173    HE2  TYR  24           HE2      TYR  24  -4.664  -8.561  -4.461
  174    HH   TYR  24           HH       TYR  24  -5.270 -10.928  -4.249
  175    H    GLN  25           H        GLN  25   0.399  -6.970   0.740
  176    HA   GLN  25           HA       GLN  25  -1.535  -8.705   1.937
  177    HB2  GLN  25           HB2      GLN  25   1.184  -7.733   2.781
  178    HB3  GLN  25           HB3      GLN  25   0.156  -8.615   3.906
  179    HG2  GLN  25           HG2      GLN  25   1.057  -9.654   1.210
  180    HG3  GLN  25           HG3      GLN  25   1.756 -10.092   2.767
  181   HE21  GLN  25          HE21      GLN  25   0.428 -11.733   0.733
  182   HE22  GLN  25          HE22      GLN  25  -0.871 -12.529   1.556
  183    H    MET  26           H        MET  26  -0.558  -5.367   2.471
  184    HA   MET  26           HA       MET  26  -2.248  -5.226   4.840
  185    HB2  MET  26           HB2      MET  26  -0.543  -3.134   3.498
  186    HB3  MET  26           HB3      MET  26  -1.475  -2.856   4.957
  187    HG2  MET  26           HG2      MET  26  -0.122  -4.566   6.115
  188    HG3  MET  26           HG3      MET  26   0.837  -4.773   4.648
  189    HE1  MET  26           HE1      MET  26   2.366  -1.106   4.335
  190    HE2  MET  26           HE2      MET  26   0.816  -1.626   3.682
  191    HE3  MET  26           HE3      MET  26   2.228  -2.675   3.544
  192    H    CYS  27           H        CYS  27  -2.102  -3.694   1.624
  193    HA   CYS  27           HA       CYS  27  -4.346  -2.022   2.286
  194    HB2  CYS  27           HB2      CYS  27  -2.966  -2.352  -0.395
  195    HB3  CYS  27           HB3      CYS  27  -4.033  -1.025   0.103
  196    H    SER  28           H        SER  28  -3.936  -4.993   0.422
  197    HA   SER  28           HA       SER  28  -6.375  -4.745  -0.965
  198    HB2  SER  28           HB2      SER  28  -4.850  -7.281  -0.381
  199    HB3  SER  28           HB3      SER  28  -6.120  -7.073  -1.596
  200    HG   SER  28           HG       SER  28  -4.505  -5.163  -2.136
  201    HA   PRO  29           HA       PRO  29  -8.313  -7.542   2.586
  202    HB2  PRO  29           HB2      PRO  29  -6.506  -6.594   4.762
  203    HB3  PRO  29           HB3      PRO  29  -7.319  -8.163   4.578
  204    HG2  PRO  29           HG2      PRO  29  -4.729  -7.981   4.065
  205    HG3  PRO  29           HG3      PRO  29  -5.788  -8.917   2.977
  206    HD2  PRO  29           HD2      PRO  29  -4.646  -6.156   2.602
  207    HD3  PRO  29           HD3      PRO  29  -4.820  -7.478   1.424
  208    H    LEU  30           H        LEU  30  -6.803  -4.422   3.029
  209    HA   LEU  30           HA       LEU  30  -8.736  -3.190   4.679
  210    HB2  LEU  30           HB2      LEU  30  -6.381  -2.355   4.045
  211    HB3  LEU  30           HB3      LEU  30  -7.107  -1.829   2.519
  212    HG   LEU  30           HG       LEU  30  -7.690  -0.761   5.303
  213   HD11  LEU  30          HD11      LEU  30  -5.609   0.012   4.278
  214   HD12  LEU  30          HD12      LEU  30  -6.793   1.317   4.373
  215   HD13  LEU  30          HD13      LEU  30  -6.496   0.506   2.833
  216   HD21  LEU  30          HD21      LEU  30  -9.770  -0.817   3.992
  217   HD22  LEU  30          HD22      LEU  30  -8.967   0.054   2.684
  218   HD23  LEU  30          HD23      LEU  30  -9.203   0.836   4.248
  219    H    GLU  31           H        GLU  31  -8.197  -2.981   1.197
  220    HA   GLU  31           HA       GLU  31 -10.518  -1.524   0.599
  221    HB2  GLU  31           HB2      GLU  31  -8.574  -1.672  -0.915
  222    HB3  GLU  31           HB3      GLU  31  -8.934  -3.379  -1.203
  223    HG2  GLU  31           HG2      GLU  31 -11.137  -2.682  -2.140
  224    HG3  GLU  31           HG3      GLU  31 -10.610  -1.000  -2.003
  225    H    ARG  32           H        ARG  32  -9.869  -5.005   0.198
  226    HA   ARG  32           HA       ARG  32 -12.625  -5.615   0.773
  227    HB2  ARG  32           HB2      ARG  32 -12.887  -5.078  -1.575
  228    HB3  ARG  32           HB3      ARG  32 -11.472  -6.047  -1.996
  229    HG2  ARG  32           HG2      ARG  32 -13.432  -7.274  -2.645
  230    HG3  ARG  32           HG3      ARG  32 -12.704  -8.087  -1.262
  231    HD2  ARG  32           HD2      ARG  32 -15.228  -7.859  -1.262
  232    HD3  ARG  32           HD3      ARG  32 -14.399  -7.345   0.202
  233    HE   ARG  32           HE       ARG  32 -14.868  -5.222  -1.694
  234   HH11  ARG  32          HH11      ARG  32 -16.217  -7.026   0.991
  235   HH12  ARG  32          HH12      ARG  32 -17.329  -5.771   1.434
  236   HH21  ARG  32          HH21      ARG  32 -16.330  -3.583  -1.117
  237   HH22  ARG  32          HH22      ARG  32 -17.393  -3.814   0.237
  238    H    SER  33           H        SER  33 -12.477  -7.294   2.087
  239    HA   SER  33           HA       SER  33 -10.609  -9.460   1.390
  240    HB2  SER  33           HB2      SER  33  -9.939  -7.976   3.438
  241    HB3  SER  33           HB3      SER  33 -11.241  -8.825   4.268
  242    HG   SER  33           HG       SER  33  -9.617 -10.158   4.639
  Start of MODEL   21
    1    HA   ALA   1           HA       ALA   1 -16.279   0.124   1.252
    2    HB1  ALA   1           HB1      ALA   1 -15.163  -2.007   0.800
    3    HB2  ALA   1           HB2      ALA   1 -14.500  -1.215   2.228
    4    HB3  ALA   1           HB3      ALA   1 -13.613  -1.173   0.707
    5    H    SER   2           H        SER   2 -13.052   0.986  -0.051
    6    HA   SER   2           HA       SER   2 -13.153   3.519   1.364
    7    HB2  SER   2           HB2      SER   2 -12.331   1.723   3.037
    8    HB3  SER   2           HB3      SER   2 -10.874   1.642   2.045
    9    HG   SER   2           HG       SER   2 -11.900   3.913   3.399
   10    HA   PRO   3           HA       PRO   3 -10.912   3.052  -2.836
   11    HB2  PRO   3           HB2      PRO   3 -12.408   5.625  -3.127
   12    HB3  PRO   3           HB3      PRO   3 -12.101   4.350  -4.331
   13    HG2  PRO   3           HG2      PRO   3 -14.479   4.531  -3.208
   14    HG3  PRO   3           HG3      PRO   3 -13.718   2.939  -3.429
   15    HD2  PRO   3           HD2      PRO   3 -13.971   4.561  -0.900
   16    HD3  PRO   3           HD3      PRO   3 -14.108   2.795  -1.141
   17    H    GLN   4           H        GLN   4 -11.387   5.990  -0.854
   18    HA   GLN   4           HA       GLN   4  -9.115   7.303  -1.974
   19    HB2  GLN   4           HB2      GLN   4 -10.725   7.908   0.507
   20    HB3  GLN   4           HB3      GLN   4  -9.403   8.915  -0.064
   21    HG2  GLN   4           HG2      GLN   4 -11.951   8.325  -1.572
   22    HG3  GLN   4           HG3      GLN   4 -11.557   9.833  -0.748
   23   HE21  GLN   4          HE21      GLN   4 -12.183   9.402  -3.555
   24   HE22  GLN   4          HE22      GLN   4 -10.808   9.956  -4.452
   25    H    GLN   5           H        GLN   5  -9.690   5.665   1.109
   26    HA   GLN   5           HA       GLN   5  -7.047   6.103   2.055
   27    HB2  GLN   5           HB2      GLN   5  -9.177   4.168   2.943
   28    HB3  GLN   5           HB3      GLN   5  -7.617   4.308   3.736
   29    HG2  GLN   5           HG2      GLN   5  -8.098   6.678   4.224
   30    HG3  GLN   5           HG3      GLN   5  -9.689   6.491   3.491
   31   HE21  GLN   5          HE21      GLN   5 -10.011   3.772   4.543
   32   HE22  GLN   5          HE22      GLN   5 -10.338   3.958   6.235
   33    H    ALA   6           H        ALA   6  -8.608   3.499   0.299
   34    HA   ALA   6           HA       ALA   6  -6.482   1.655   0.382
   35    HB1  ALA   6           HB1      ALA   6  -8.684   0.988  -0.386
   36    HB2  ALA   6           HB2      ALA   6  -7.485   0.676  -1.643
   37    HB3  ALA   6           HB3      ALA   6  -8.551   2.069  -1.772
   38    H    LYS   7           H        LYS   7  -7.237   4.300  -1.843
   39    HA   LYS   7           HA       LYS   7  -5.099   3.836  -3.625
   40    HB2  LYS   7           HB2      LYS   7  -7.065   5.279  -4.136
   41    HB3  LYS   7           HB3      LYS   7  -6.464   6.465  -2.990
   42    HG2  LYS   7           HG2      LYS   7  -5.948   7.112  -5.271
   43    HG3  LYS   7           HG3      LYS   7  -4.459   6.797  -4.342
   44    HD2  LYS   7           HD2      LYS   7  -4.249   4.600  -5.376
   45    HD3  LYS   7           HD3      LYS   7  -5.783   4.817  -6.226
   46    HE2  LYS   7           HE2      LYS   7  -3.856   5.224  -7.710
   47    HE3  LYS   7           HE3      LYS   7  -4.835   6.675  -7.493
   48    HZ1  LYS   7           HZ1      LYS   7  -2.277   6.075  -6.111
   49    HZ2  LYS   7           HZ2      LYS   7  -3.220   7.455  -5.854
   50    HZ3  LYS   7           HZ3      LYS   7  -2.499   7.196  -7.360
   51    H    TYR   8           H        TYR   8  -5.372   5.702  -0.647
   52    HA   TYR   8           HA       TYR   8  -2.796   6.876  -0.751
   53    HB2  TYR   8           HB2      TYR   8  -4.640   7.644   0.763
   54    HB3  TYR   8           HB3      TYR   8  -4.407   6.175   1.713
   55    HD1  TYR   8           HD1      TYR   8  -2.923   9.400   0.769
   56    HD2  TYR   8           HD2      TYR   8  -2.553   5.943   3.217
   57    HE1  TYR   8           HE1      TYR   8  -1.198  10.536   2.101
   58    HE2  TYR   8           HE2      TYR   8  -0.824   7.066   4.558
   59    HH   TYR   8           HH       TYR   8  -0.217  10.401   4.348
   60    H    CYS   9           H        CYS   9  -4.046   3.851   0.525
   61    HA   CYS   9           HA       CYS   9  -1.706   3.038   1.870
   62    HB2  CYS   9           HB2      CYS   9  -4.011   2.059   2.182
   63    HB3  CYS   9           HB3      CYS   9  -3.787   1.199   0.652
   64    H    TYR  10           H        TYR  10  -2.948   2.108  -1.358
   65    HA   TYR  10           HA       TYR  10  -0.664   0.569  -2.023
   66    HB2  TYR  10           HB2      TYR  10  -2.846   1.811  -3.711
   67    HB3  TYR  10           HB3      TYR  10  -1.505   0.913  -4.426
   68    HD1  TYR  10           HD1      TYR  10  -1.190  -1.499  -3.779
   69    HD2  TYR  10           HD2      TYR  10  -4.710   0.686  -2.799
   70    HE1  TYR  10           HE1      TYR  10  -2.401  -3.613  -3.454
   71    HE2  TYR  10           HE2      TYR  10  -5.926  -1.418  -2.467
   72    HH   TYR  10           HH       TYR  10  -5.795  -3.753  -3.175
   73    H    GLU  11           H        GLU  11  -1.398   3.976  -2.329
   74    HA   GLU  11           HA       GLU  11   0.711   4.610  -4.105
   75    HB2  GLU  11           HB2      GLU  11  -1.302   6.072  -3.555
   76    HB3  GLU  11           HB3      GLU  11  -0.482   6.437  -2.022
   77    HG2  GLU  11           HG2      GLU  11   1.374   7.425  -3.198
   78    HG3  GLU  11           HG3      GLU  11   0.638   7.008  -4.764
   79    H    GLN  12           H        GLN  12   0.401   5.091  -0.584
   80    HA   GLN  12           HA       GLN  12   3.113   5.968  -0.425
   81    HB2  GLN  12           HB2      GLN  12   1.027   5.449   1.688
   82    HB3  GLN  12           HB3      GLN  12   2.625   6.089   2.035
   83    HG2  GLN  12           HG2      GLN  12   0.944   7.437  -0.008
   84    HG3  GLN  12           HG3      GLN  12   0.575   7.668   1.695
   85   HE21  GLN  12          HE21      GLN  12   3.832   7.142   0.594
   86   HE22  GLN  12          HE22      GLN  12   4.398   8.749   0.893
   87    H    CYS  13           H        CYS  13   1.629   2.863  -0.169
   88    HA   CYS  13           HA       CYS  13   3.188   1.684   1.817
   89    HB2  CYS  13           HB2      CYS  13   2.639  -0.479   0.795
   90    HB3  CYS  13           HB3      CYS  13   1.219   0.572   0.795
   91    H    ASN  14           H        ASN  14   3.827   1.484  -1.709
   92    HA   ASN  14           HA       ASN  14   6.458   0.487  -1.235
   93    HB2  ASN  14           HB2      ASN  14   6.835   0.559  -3.588
   94    HB3  ASN  14           HB3      ASN  14   5.185   0.021  -3.344
   95   HD21  ASN  14          HD21      ASN  14   3.997   2.614  -2.927
   96   HD22  ASN  14          HD22      ASN  14   4.083   3.455  -4.433
   97    H    VAL  15           H        VAL  15   5.157   3.690  -1.562
   98    HA   VAL  15           HA       VAL  15   7.568   5.035  -2.142
   99    HB   VAL  15           HB       VAL  15   5.074   6.042  -0.764
  100   HG11  VAL  15          HG11      VAL  15   5.930   8.304  -1.218
  101   HG12  VAL  15          HG12      VAL  15   7.438   7.606  -1.807
  102   HG13  VAL  15          HG13      VAL  15   6.983   7.417  -0.114
  103   HG21  VAL  15          HG21      VAL  15   4.731   5.371  -3.091
  104   HG22  VAL  15          HG22      VAL  15   6.082   6.387  -3.593
  105   HG23  VAL  15          HG23      VAL  15   4.626   7.124  -2.924
  106    H    ASN  16           H        ASN  16   5.930   4.264   0.924
  107    HA   ASN  16           HA       ASN  16   7.855   5.472   2.610
  108    HB2  ASN  16           HB2      ASN  16   6.067   3.077   3.173
  109    HB3  ASN  16           HB3      ASN  16   6.948   4.009   4.386
  110   HD21  ASN  16          HD21      ASN  16   6.386   6.563   3.051
  111   HD22  ASN  16          HD22      ASN  16   4.724   6.903   3.396
  112    H    LYS  17           H        LYS  17   7.368   1.958   2.447
  113    HA   LYS  17           HA       LYS  17   9.539   1.319   0.888
  114    HB2  LYS  17           HB2      LYS  17  10.953   2.195   2.711
  115    HB3  LYS  17           HB3      LYS  17  10.216   1.031   3.822
  116    HG2  LYS  17           HG2      LYS  17  11.145  -0.823   2.586
  117    HG3  LYS  17           HG3      LYS  17  11.767   0.269   1.345
  118    HD2  LYS  17           HD2      LYS  17  13.313   1.268   2.868
  119    HD3  LYS  17           HD3      LYS  17  12.604   0.418   4.257
  120    HE2  LYS  17           HE2      LYS  17  13.323  -1.724   3.276
  121    HE3  LYS  17           HE3      LYS  17  14.027  -0.861   1.910
  122    HZ1  LYS  17           HZ1      LYS  17  14.866  -0.628   4.746
  123    HZ2  LYS  17           HZ2      LYS  17  15.513   0.271   3.469
  124    HZ3  LYS  17           HZ3      LYS  17  15.720  -1.406   3.512
  125    H    VAL  18           H        VAL  18   7.705  -0.081   0.243
  126    HA   VAL  18           HA       VAL  18   8.064  -2.632   1.602
  127    HB   VAL  18           HB       VAL  18   5.851  -3.204   1.963
  128   HG11  VAL  18          HG11      VAL  18   5.743  -0.225   2.435
  129   HG12  VAL  18          HG12      VAL  18   6.461  -1.417   3.520
  130   HG13  VAL  18          HG13      VAL  18   4.727  -1.451   3.197
  131   HG21  VAL  18          HG21      VAL  18   5.050  -2.747  -0.260
  132   HG22  VAL  18          HG22      VAL  18   4.974  -1.017   0.089
  133   HG23  VAL  18          HG23      VAL  18   3.907  -2.139   0.941
  134    HA   PRO  19           HA       PRO  19   8.094  -4.073  -2.666
  135    HB2  PRO  19           HB2      PRO  19   7.401  -6.679  -1.483
  136    HB3  PRO  19           HB3      PRO  19   8.821  -6.225  -2.443
  137    HG2  PRO  19           HG2      PRO  19   9.010  -6.733   0.189
  138    HG3  PRO  19           HG3      PRO  19  10.008  -5.502  -0.611
  139    HD2  PRO  19           HD2      PRO  19   7.553  -5.133   1.077
  140    HD3  PRO  19           HD3      PRO  19   9.055  -4.178   1.017
  141    H    PHE  20           H        PHE  20   6.485  -4.927  -4.191
  142    HA   PHE  20           HA       PHE  20   3.933  -3.936  -3.702
  143    HB2  PHE  20           HB2      PHE  20   4.877  -4.418  -5.976
  144    HB3  PHE  20           HB3      PHE  20   4.541  -6.124  -5.699
  145    HD1  PHE  20           HD1      PHE  20   3.057  -2.817  -6.219
  146    HD2  PHE  20           HD2      PHE  20   2.296  -6.981  -5.787
  147    HE1  PHE  20           HE1      PHE  20   0.754  -2.474  -7.015
  148    HE2  PHE  20           HE2      PHE  20  -0.009  -6.644  -6.586
  149    HZ   PHE  20           HZ       PHE  20  -0.781  -4.390  -7.201
  150    H    ASP  21           H        ASP  21   5.082  -7.281  -3.389
  151    HA   ASP  21           HA       ASP  21   2.585  -8.470  -2.908
  152    HB2  ASP  21           HB2      ASP  21   3.772 -10.359  -2.024
  153    HB3  ASP  21           HB3      ASP  21   4.706  -9.727  -3.374
  154    H    GLN  22           H        GLN  22   4.889  -6.950  -0.693
  155    HA   GLN  22           HA       GLN  22   3.464  -7.473   1.696
  156    HB2  GLN  22           HB2      GLN  22   5.794  -6.763   1.724
  157    HB3  GLN  22           HB3      GLN  22   5.358  -5.218   1.000
  158    HG2  GLN  22           HG2      GLN  22   5.690  -4.845   3.305
  159    HG3  GLN  22           HG3      GLN  22   3.946  -4.773   3.010
  160   HE21  GLN  22          HE21      GLN  22   3.431  -5.224   5.124
  161   HE22  GLN  22          HE22      GLN  22   3.649  -6.795   5.823
  162    H    CYS  23           H        CYS  23   3.330  -4.863  -0.679
  163    HA   CYS  23           HA       CYS  23   1.505  -3.203   0.719
  164    HB2  CYS  23           HB2      CYS  23   2.840  -2.526  -1.343
  165    HB3  CYS  23           HB3      CYS  23   1.690  -3.463  -2.300
  166    H    TYR  24           H        TYR  24   1.056  -5.827  -1.594
  167    HA   TYR  24           HA       TYR  24  -1.757  -5.753  -1.696
  168    HB2  TYR  24           HB2      TYR  24  -0.183  -6.996  -3.258
  169    HB3  TYR  24           HB3      TYR  24  -0.029  -8.225  -1.991
  170    HD1  TYR  24           HD1      TYR  24  -2.073  -6.926  -4.672
  171    HD2  TYR  24           HD2      TYR  24  -2.034  -9.531  -1.318
  172    HE1  TYR  24           HE1      TYR  24  -4.077  -8.058  -5.533
  173    HE2  TYR  24           HE2      TYR  24  -4.037 -10.662  -2.161
  174    HH   TYR  24           HH       TYR  24  -5.920 -10.209  -3.638
  175    H    GLN  25           H        GLN  25   0.464  -7.021   0.668
  176    HA   GLN  25           HA       GLN  25  -1.357  -8.848   1.900
  177    HB2  GLN  25           HB2      GLN  25   1.168  -7.528   2.937
  178    HB3  GLN  25           HB3      GLN  25   0.239  -8.677   3.882
  179    HG2  GLN  25           HG2      GLN  25   0.671 -10.412   2.174
  180    HG3  GLN  25           HG3      GLN  25   1.635  -9.258   1.255
  181   HE21  GLN  25          HE21      GLN  25   3.481 -10.492   1.431
  182   HE22  GLN  25          HE22      GLN  25   4.360 -10.642   2.914
  183    H    MET  26           H        MET  26  -0.486  -5.486   2.429
  184    HA   MET  26           HA       MET  26  -2.180  -5.336   4.780
  185    HB2  MET  26           HB2      MET  26  -0.100  -4.229   5.023
  186    HB3  MET  26           HB3      MET  26  -0.247  -3.458   3.454
  187    HG2  MET  26           HG2      MET  26  -2.097  -2.077   4.332
  188    HG3  MET  26           HG3      MET  26  -1.859  -2.814   5.917
  189    HE1  MET  26           HE1      MET  26   1.416  -0.270   3.861
  190    HE2  MET  26           HE2      MET  26  -0.043  -0.830   3.042
  191    HE3  MET  26           HE3      MET  26   1.205  -1.985   3.517
  192    H    CYS  27           H        CYS  27  -1.997  -3.785   1.568
  193    HA   CYS  27           HA       CYS  27  -4.210  -2.069   2.206
  194    HB2  CYS  27           HB2      CYS  27  -2.858  -2.491  -0.477
  195    HB3  CYS  27           HB3      CYS  27  -3.907  -1.138  -0.008
  196    H    SER  28           H        SER  28  -3.897  -5.110   0.456
  197    HA   SER  28           HA       SER  28  -6.277  -4.871  -1.005
  198    HB2  SER  28           HB2      SER  28  -4.822  -7.375  -0.161
  199    HB3  SER  28           HB3      SER  28  -6.159  -7.321  -1.322
  200    HG   SER  28           HG       SER  28  -4.472  -5.469  -2.088
  201    HA   PRO  29           HA       PRO  29  -8.504  -7.209   2.737
  202    HB2  PRO  29           HB2      PRO  29  -6.739  -6.023   4.835
  203    HB3  PRO  29           HB3      PRO  29  -7.622  -7.564   4.847
  204    HG2  PRO  29           HG2      PRO  29  -5.011  -7.574   4.418
  205    HG3  PRO  29           HG3      PRO  29  -6.076  -8.614   3.436
  206    HD2  PRO  29           HD2      PRO  29  -4.771  -6.004   2.703
  207    HD3  PRO  29           HD3      PRO  29  -5.009  -7.466   1.718
  208    H    LEU  30           H        LEU  30  -6.854  -4.115   3.101
  209    HA   LEU  30           HA       LEU  30  -8.919  -2.682   4.383
  210    HB2  LEU  30           HB2      LEU  30  -6.456  -2.034   4.074
  211    HB3  LEU  30           HB3      LEU  30  -6.895  -1.563   2.424
  212    HG   LEU  30           HG       LEU  30  -7.961  -0.297   4.976
  213   HD11  LEU  30          HD11      LEU  30  -6.606   1.633   4.253
  214   HD12  LEU  30          HD12      LEU  30  -5.962   0.661   2.927
  215   HD13  LEU  30          HD13      LEU  30  -5.615   0.214   4.599
  216   HD21  LEU  30          HD21      LEU  30  -8.330   0.556   2.097
  217   HD22  LEU  30          HD22      LEU  30  -8.936   1.392   3.530
  218   HD23  LEU  30          HD23      LEU  30  -9.569  -0.201   3.100
  219    H    GLU  31           H        GLU  31  -8.095  -3.193   1.014
  220    HA   GLU  31           HA       GLU  31 -10.099  -1.400   0.040
  221    HB2  GLU  31           HB2      GLU  31  -7.945  -1.760  -1.126
  222    HB3  GLU  31           HB3      GLU  31  -8.424  -3.428  -1.460
  223    HG2  GLU  31           HG2      GLU  31 -10.291  -2.623  -2.817
  224    HG3  GLU  31           HG3      GLU  31  -9.814  -0.952  -2.492
  225    H    ARG  32           H        ARG  32  -9.858  -4.910   0.374
  226    HA   ARG  32           HA       ARG  32 -12.725  -5.101  -0.082
  227    HB2  ARG  32           HB2      ARG  32 -11.768  -5.362  -2.348
  228    HB3  ARG  32           HB3      ARG  32 -10.720  -6.653  -1.751
  229    HG2  ARG  32           HG2      ARG  32 -12.456  -7.814  -2.803
  230    HG3  ARG  32           HG3      ARG  32 -12.883  -7.875  -1.094
  231    HD2  ARG  32           HD2      ARG  32 -14.093  -6.129  -3.241
  232    HD3  ARG  32           HD3      ARG  32 -14.866  -7.410  -2.317
  233    HE   ARG  32           HE       ARG  32 -13.996  -4.849  -1.135
  234   HH11  ARG  32          HH11      ARG  32 -16.285  -7.489  -1.395
  235   HH12  ARG  32          HH12      ARG  32 -17.356  -6.841  -0.200
  236   HH21  ARG  32          HH21      ARG  32 -15.404  -4.000   0.435
  237   HH22  ARG  32          HH22      ARG  32 -16.864  -4.847   0.834
  238    H    SER  33           H        SER  33 -13.539  -6.347   1.451
  239    HA   SER  33           HA       SER  33 -12.397  -8.941   2.006
  240    HB2  SER  33           HB2      SER  33 -12.607  -6.857   4.206
  241    HB3  SER  33           HB3      SER  33 -12.414  -8.584   4.502
  242    HG   SER  33           HG       SER  33 -10.609  -7.455   2.730
  Start of MODEL   22
    1    HA   ALA   1           HA       ALA   1 -15.524   1.115   1.612
    2    HB1  ALA   1           HB1      ALA   1 -15.568   1.478  -0.800
    3    HB2  ALA   1           HB2      ALA   1 -17.069   2.389  -0.646
    4    HB3  ALA   1           HB3      ALA   1 -17.040   0.669  -0.260
    5    H    SER   2           H        SER   2 -13.802   2.372   0.322
    6    HA   SER   2           HA       SER   2 -13.866   5.233   0.465
    7    HB2  SER   2           HB2      SER   2 -13.516   4.576   2.902
    8    HB3  SER   2           HB3      SER   2 -11.979   3.865   2.410
    9    HG   SER   2           HG       SER   2 -12.666   6.565   1.871
   10    HA   PRO   3           HA       PRO   3 -11.109   3.083  -2.683
   11    HB2  PRO   3           HB2      PRO   3 -12.076   5.545  -4.078
   12    HB3  PRO   3           HB3      PRO   3 -11.833   3.904  -4.722
   13    HG2  PRO   3           HG2      PRO   3 -14.274   4.738  -4.198
   14    HG3  PRO   3           HG3      PRO   3 -13.779   3.099  -3.721
   15    HD2  PRO   3           HD2      PRO   3 -14.085   5.544  -1.986
   16    HD3  PRO   3           HD3      PRO   3 -14.510   3.837  -1.645
   17    H    GLN   4           H        GLN   4 -11.301   6.360  -1.442
   18    HA   GLN   4           HA       GLN   4  -8.813   7.219  -2.546
   19    HB2  GLN   4           HB2      GLN   4 -10.477   8.366  -0.301
   20    HB3  GLN   4           HB3      GLN   4  -9.008   9.113  -0.914
   21    HG2  GLN   4           HG2      GLN   4 -11.527   8.608  -2.501
   22    HG3  GLN   4           HG3      GLN   4 -10.986  10.165  -1.880
   23   HE21  GLN   4          HE21      GLN   4  -8.170   9.612  -2.514
   24   HE22  GLN   4          HE22      GLN   4  -8.036   9.772  -4.233
   25    H    GLN   5           H        GLN   5  -9.804   6.026   0.647
   26    HA   GLN   5           HA       GLN   5  -7.237   6.362   1.793
   27    HB2  GLN   5           HB2      GLN   5  -8.056   5.408   3.724
   28    HB3  GLN   5           HB3      GLN   5  -9.533   5.989   2.980
   29    HG2  GLN   5           HG2      GLN   5 -10.015   3.749   2.157
   30    HG3  GLN   5           HG3      GLN   5  -8.510   3.160   2.855
   31   HE21  GLN   5          HE21      GLN   5  -8.826   4.882   5.245
   32   HE22  GLN   5          HE22      GLN   5 -10.041   4.108   6.205
   33    H    ALA   6           H        ALA   6  -8.774   3.791   0.035
   34    HA   ALA   6           HA       ALA   6  -6.783   1.822   0.417
   35    HB1  ALA   6           HB1      ALA   6  -8.961   1.228  -0.470
   36    HB2  ALA   6           HB2      ALA   6  -7.694   0.778  -1.613
   37    HB3  ALA   6           HB3      ALA   6  -8.667   2.214  -1.902
   38    H    LYS   7           H        LYS   7  -7.234   4.325  -2.050
   39    HA   LYS   7           HA       LYS   7  -4.979   3.617  -3.593
   40    HB2  LYS   7           HB2      LYS   7  -6.811   5.066  -4.433
   41    HB3  LYS   7           HB3      LYS   7  -6.290   6.333  -3.332
   42    HG2  LYS   7           HG2      LYS   7  -5.482   6.796  -5.552
   43    HG3  LYS   7           HG3      LYS   7  -4.115   6.430  -4.473
   44    HD2  LYS   7           HD2      LYS   7  -4.141   4.084  -5.347
   45    HD3  LYS   7           HD3      LYS   7  -5.394   4.560  -6.498
   46    HE2  LYS   7           HE2      LYS   7  -2.575   5.638  -6.334
   47    HE3  LYS   7           HE3      LYS   7  -3.225   4.596  -7.599
   48    HZ1  LYS   7           HZ1      LYS   7  -4.731   6.373  -8.236
   49    HZ2  LYS   7           HZ2      LYS   7  -3.126   6.901  -8.298
   50    HZ3  LYS   7           HZ3      LYS   7  -4.119   7.370  -7.015
   51    H    TYR   8           H        TYR   8  -5.435   5.742  -0.826
   52    HA   TYR   8           HA       TYR   8  -2.864   6.874  -0.747
   53    HB2  TYR   8           HB2      TYR   8  -4.803   7.658   0.609
   54    HB3  TYR   8           HB3      TYR   8  -4.667   6.195   1.587
   55    HD1  TYR   8           HD1      TYR   8  -3.025   9.375   0.720
   56    HD2  TYR   8           HD2      TYR   8  -3.038   6.001   3.309
   57    HE1  TYR   8           HE1      TYR   8  -1.456  10.526   2.220
   58    HE2  TYR   8           HE2      TYR   8  -1.463   7.140   4.813
   59    HH   TYR   8           HH       TYR   8   0.201   8.928   4.731
   60    H    CYS   9           H        CYS   9  -4.171   3.877   0.592
   61    HA   CYS   9           HA       CYS   9  -1.875   3.095   2.027
   62    HB2  CYS   9           HB2      CYS   9  -4.172   2.089   2.283
   63    HB3  CYS   9           HB3      CYS   9  -3.915   1.237   0.753
   64    H    TYR  10           H        TYR  10  -2.976   2.225  -1.250
   65    HA   TYR  10           HA       TYR  10  -0.684   0.664  -1.861
   66    HB2  TYR  10           HB2      TYR  10  -2.842   1.908  -3.574
   67    HB3  TYR  10           HB3      TYR  10  -1.481   1.033  -4.280
   68    HD1  TYR  10           HD1      TYR  10  -1.139  -1.372  -3.652
   69    HD2  TYR  10           HD2      TYR  10  -4.708   0.740  -2.698
   70    HE1  TYR  10           HE1      TYR  10  -2.314  -3.504  -3.359
   71    HE2  TYR  10           HE2      TYR  10  -5.891  -1.385  -2.399
   72    HH   TYR  10           HH       TYR  10  -5.651  -3.757  -3.215
   73    H    GLU  11           H        GLU  11  -1.421   4.090  -2.244
   74    HA   GLU  11           HA       GLU  11   0.797   4.651  -3.910
   75    HB2  GLU  11           HB2      GLU  11  -1.140   6.189  -3.679
   76    HB3  GLU  11           HB3      GLU  11  -0.645   6.535  -2.009
   77    HG2  GLU  11           HG2      GLU  11   1.486   7.440  -2.874
   78    HG3  GLU  11           HG3      GLU  11   0.885   7.178  -4.529
   79    H    GLN  12           H        GLN  12   0.335   4.942  -0.373
   80    HA   GLN  12           HA       GLN  12   2.956   6.015  -0.021
   81    HB2  GLN  12           HB2      GLN  12   0.841   5.092   1.919
   82    HB3  GLN  12           HB3      GLN  12   2.389   5.741   2.435
   83    HG2  GLN  12           HG2      GLN  12   0.776   7.313   0.513
   84    HG3  GLN  12           HG3      GLN  12   0.257   7.249   2.192
   85   HE21  GLN  12          HE21      GLN  12   3.611   7.056   1.290
   86   HE22  GLN  12          HE22      GLN  12   4.063   8.609   1.903
   87    H    CYS  13           H        CYS  13   1.718   2.797  -0.141
   88    HA   CYS  13           HA       CYS  13   3.373   1.566   1.756
   89    HB2  CYS  13           HB2      CYS  13   2.861  -0.539   0.645
   90    HB3  CYS  13           HB3      CYS  13   1.407   0.461   0.676
   91    H    ASN  14           H        ASN  14   3.900   1.728  -1.793
   92    HA   ASN  14           HA       ASN  14   6.609   0.861  -1.471
   93    HB2  ASN  14           HB2      ASN  14   6.828   1.420  -3.924
   94    HB3  ASN  14           HB3      ASN  14   5.600   0.236  -3.512
   95   HD21  ASN  14          HD21      ASN  14   5.384   3.794  -3.312
   96   HD22  ASN  14          HD22      ASN  14   4.089   3.921  -4.453
   97    H    VAL  15           H        VAL  15   5.065   3.972  -1.536
   98    HA   VAL  15           HA       VAL  15   7.313   5.560  -2.116
   99    HB   VAL  15           HB       VAL  15   4.864   6.166  -0.453
  100   HG11  VAL  15          HG11      VAL  15   5.530   8.531  -0.544
  101   HG12  VAL  15          HG12      VAL  15   7.054   8.067  -1.297
  102   HG13  VAL  15          HG13      VAL  15   6.698   7.562   0.353
  103   HG21  VAL  15          HG21      VAL  15   4.497   5.861  -2.864
  104   HG22  VAL  15          HG22      VAL  15   5.705   7.101  -3.200
  105   HG23  VAL  15          HG23      VAL  15   4.210   7.528  -2.368
  106    H    ASN  16           H        ASN  16   6.079   4.220   0.924
  107    HA   ASN  16           HA       ASN  16   8.126   5.426   2.522
  108    HB2  ASN  16           HB2      ASN  16   6.344   3.037   3.105
  109    HB3  ASN  16           HB3      ASN  16   7.362   3.863   4.290
  110   HD21  ASN  16          HD21      ASN  16   4.497   3.524   4.421
  111   HD22  ASN  16          HD22      ASN  16   3.818   5.117   4.423
  112    H    LYS  17           H        LYS  17   7.551   1.937   2.197
  113    HA   LYS  17           HA       LYS  17   9.783   1.224   0.748
  114    HB2  LYS  17           HB2      LYS  17  11.081   2.179   2.636
  115    HB3  LYS  17           HB3      LYS  17  10.299   1.025   3.722
  116    HG2  LYS  17           HG2      LYS  17  11.315  -0.831   2.478
  117    HG3  LYS  17           HG3      LYS  17  12.116   0.332   1.412
  118    HD2  LYS  17           HD2      LYS  17  13.392   1.244   3.219
  119    HD3  LYS  17           HD3      LYS  17  12.487   0.304   4.425
  120    HE2  LYS  17           HE2      LYS  17  13.372  -1.770   3.357
  121    HE3  LYS  17           HE3      LYS  17  14.348  -0.762   2.289
  122    HZ1  LYS  17           HZ1      LYS  17  15.464   0.148   4.233
  123    HZ2  LYS  17           HZ2      LYS  17  15.634  -1.534   4.170
  124    HZ3  LYS  17           HZ3      LYS  17  14.537  -0.838   5.249
  125    H    VAL  18           H        VAL  18   7.981  -0.218   0.058
  126    HA   VAL  18           HA       VAL  18   8.175  -2.701   1.552
  127    HB   VAL  18           HB       VAL  18   5.964  -3.131   2.011
  128   HG11  VAL  18          HG11      VAL  18   5.933  -0.121   2.192
  129   HG12  VAL  18          HG12      VAL  18   6.597  -1.228   3.393
  130   HG13  VAL  18          HG13      VAL  18   4.867  -1.237   3.050
  131   HG21  VAL  18          HG21      VAL  18   5.092  -1.112  -0.047
  132   HG22  VAL  18          HG22      VAL  18   4.035  -2.170   0.896
  133   HG23  VAL  18          HG23      VAL  18   5.175  -2.862  -0.262
  134    HA   PRO  19           HA       PRO  19   8.096  -4.315  -2.653
  135    HB2  PRO  19           HB2      PRO  19   7.307  -6.858  -1.411
  136    HB3  PRO  19           HB3      PRO  19   8.764  -6.474  -2.346
  137    HG2  PRO  19           HG2      PRO  19   8.858  -6.920   0.308
  138    HG3  PRO  19           HG3      PRO  19   9.933  -5.767  -0.504
  139    HD2  PRO  19           HD2      PRO  19   7.463  -5.224   1.112
  140    HD3  PRO  19           HD3      PRO  19   9.012  -4.347   1.060
  141    H    PHE  20           H        PHE  20   6.499  -5.127  -4.154
  142    HA   PHE  20           HA       PHE  20   3.932  -4.181  -3.799
  143    HB2  PHE  20           HB2      PHE  20   4.878  -4.774  -6.009
  144    HB3  PHE  20           HB3      PHE  20   4.721  -6.481  -5.605
  145    HD1  PHE  20           HD1      PHE  20   2.888  -3.399  -6.379
  146    HD2  PHE  20           HD2      PHE  20   2.595  -7.588  -5.687
  147    HE1  PHE  20           HE1      PHE  20   0.581  -3.381  -7.241
  148    HE2  PHE  20           HE2      PHE  20   0.294  -7.576  -6.548
  149    HZ   PHE  20           HZ       PHE  20  -0.716  -5.470  -7.327
  150    H    ASP  21           H        ASP  21   5.108  -7.485  -3.219
  151    HA   ASP  21           HA       ASP  21   2.625  -8.655  -2.704
  152    HB2  ASP  21           HB2      ASP  21   3.878 -10.399  -1.458
  153    HB3  ASP  21           HB3      ASP  21   4.545 -10.069  -3.051
  154    H    GLN  22           H        GLN  22   4.847  -6.982  -0.516
  155    HA   GLN  22           HA       GLN  22   3.267  -7.400   1.804
  156    HB2  GLN  22           HB2      GLN  22   5.634  -6.810   1.970
  157    HB3  GLN  22           HB3      GLN  22   5.318  -5.256   1.205
  158    HG2  GLN  22           HG2      GLN  22   3.888  -4.634   3.102
  159    HG3  GLN  22           HG3      GLN  22   4.270  -6.176   3.873
  160   HE21  GLN  22          HE21      GLN  22   7.029  -6.160   2.960
  161   HE22  GLN  22          HE22      GLN  22   7.856  -4.992   3.935
  162    H    CYS  23           H        CYS  23   3.385  -4.870  -0.662
  163    HA   CYS  23           HA       CYS  23   1.605  -3.076   0.596
  164    HB2  CYS  23           HB2      CYS  23   2.984  -2.552  -1.481
  165    HB3  CYS  23           HB3      CYS  23   1.807  -3.493  -2.398
  166    H    TYR  24           H        TYR  24   1.054  -5.750  -1.639
  167    HA   TYR  24           HA       TYR  24  -1.748  -5.530  -1.729
  168    HB2  TYR  24           HB2      TYR  24  -0.432  -6.852  -3.362
  169    HB3  TYR  24           HB3      TYR  24  -0.034  -8.011  -2.083
  170    HD1  TYR  24           HD1      TYR  24  -1.578  -9.681  -1.412
  171    HD2  TYR  24           HD2      TYR  24  -2.764  -6.670  -4.168
  172    HE1  TYR  24           HE1      TYR  24  -3.618 -10.949  -1.909
  173    HE2  TYR  24           HE2      TYR  24  -4.808  -7.932  -4.677
  174    HH   TYR  24           HH       TYR  24  -5.632 -10.236  -4.557
  175    H    GLN  25           H        GLN  25   0.423  -7.208   0.509
  176    HA   GLN  25           HA       GLN  25  -1.641  -8.797   1.669
  177    HB2  GLN  25           HB2      GLN  25  -0.024  -9.687   3.097
  178    HB3  GLN  25           HB3      GLN  25   0.959  -9.167   1.735
  179    HG2  GLN  25           HG2      GLN  25   1.597  -7.142   2.950
  180    HG3  GLN  25           HG3      GLN  25   0.566  -7.619   4.294
  181   HE21  GLN  25          HE21      GLN  25   1.196  -9.300   5.629
  182   HE22  GLN  25          HE22      GLN  25   2.810  -9.930   5.629
  183    H    MET  26           H        MET  26  -0.441  -5.598   2.272
  184    HA   MET  26           HA       MET  26  -1.887  -5.406   4.779
  185    HB2  MET  26           HB2      MET  26   0.231  -4.330   4.814
  186    HB3  MET  26           HB3      MET  26  -0.074  -3.532   3.280
  187    HG2  MET  26           HG2      MET  26  -1.791  -2.138   4.345
  188    HG3  MET  26           HG3      MET  26  -1.466  -2.929   5.887
  189    HE1  MET  26           HE1      MET  26   0.167  -0.836   2.983
  190    HE2  MET  26           HE2      MET  26   1.412  -2.049   3.288
  191    HE3  MET  26           HE3      MET  26   1.703  -0.362   3.704
  192    H    CYS  27           H        CYS  27  -1.991  -3.880   1.553
  193    HA   CYS  27           HA       CYS  27  -4.213  -2.231   2.386
  194    HB2  CYS  27           HB2      CYS  27  -2.945  -2.472  -0.361
  195    HB3  CYS  27           HB3      CYS  27  -4.051  -1.199   0.193
  196    H    SER  28           H        SER  28  -3.878  -5.231   0.584
  197    HA   SER  28           HA       SER  28  -6.320  -5.042  -0.802
  198    HB2  SER  28           HB2      SER  28  -4.622  -6.706  -1.436
  199    HB3  SER  28           HB3      SER  28  -4.973  -7.610   0.046
  200    HG   SER  28           HG       SER  28  -6.607  -7.186  -2.218
  201    HA   PRO  29           HA       PRO  29  -8.308  -7.461   3.036
  202    HB2  PRO  29           HB2      PRO  29  -6.554  -6.096   5.038
  203    HB3  PRO  29           HB3      PRO  29  -7.358  -7.676   5.142
  204    HG2  PRO  29           HG2      PRO  29  -4.771  -7.588   4.618
  205    HG3  PRO  29           HG3      PRO  29  -5.818  -8.701   3.698
  206    HD2  PRO  29           HD2      PRO  29  -4.655  -6.057   2.860
  207    HD3  PRO  29           HD3      PRO  29  -4.867  -7.551   1.915
  208    H    LEU  30           H        LEU  30  -6.971  -4.243   2.987
  209    HA   LEU  30           HA       LEU  30  -9.147  -2.960   4.353
  210    HB2  LEU  30           HB2      LEU  30  -6.712  -2.137   4.084
  211    HB3  LEU  30           HB3      LEU  30  -7.181  -1.683   2.440
  212    HG   LEU  30           HG       LEU  30  -8.262  -0.526   5.030
  213   HD11  LEU  30          HD11      LEU  30  -6.565   0.629   2.815
  214   HD12  LEU  30          HD12      LEU  30  -6.039   0.256   4.458
  215   HD13  LEU  30          HD13      LEU  30  -7.216   1.540   4.178
  216   HD21  LEU  30          HD21      LEU  30 -10.046  -0.635   3.343
  217   HD22  LEU  30          HD22      LEU  30  -9.002   0.190   2.184
  218   HD23  LEU  30          HD23      LEU  30  -9.537   1.029   3.641
  219    H    GLU  31           H        GLU  31  -7.973  -2.882   1.033
  220    HA   GLU  31           HA       GLU  31 -10.129  -1.474  -0.060
  221    HB2  GLU  31           HB2      GLU  31  -7.855  -1.698  -1.064
  222    HB3  GLU  31           HB3      GLU  31  -8.239  -3.375  -1.471
  223    HG2  GLU  31           HG2      GLU  31  -9.981  -1.163  -2.500
  224    HG3  GLU  31           HG3      GLU  31  -8.431  -1.513  -3.280
  225    H    ARG  32           H        ARG  32  -9.588  -4.934   0.269
  226    HA   ARG  32           HA       ARG  32 -12.227  -5.399  -0.947
  227    HB2  ARG  32           HB2      ARG  32  -9.885  -7.272  -0.513
  228    HB3  ARG  32           HB3      ARG  32 -11.490  -7.850  -0.959
  229    HG2  ARG  32           HG2      ARG  32  -9.812  -5.921  -2.604
  230    HG3  ARG  32           HG3      ARG  32  -9.928  -7.655  -2.899
  231    HD2  ARG  32           HD2      ARG  32 -11.367  -6.470  -4.428
  232    HD3  ARG  32           HD3      ARG  32 -12.367  -7.379  -3.303
  233    HE   ARG  32           HE       ARG  32 -11.834  -4.505  -2.897
  234   HH11  ARG  32          HH11      ARG  32 -14.108  -7.129  -3.420
  235   HH12  ARG  32          HH12      ARG  32 -15.494  -6.166  -3.022
  236   HH21  ARG  32          HH21      ARG  32 -13.643  -3.256  -2.359
  237   HH22  ARG  32          HH22      ARG  32 -15.231  -3.956  -2.410
  238    H    SER  33           H        SER  33 -13.720  -5.242   0.585
  239    HA   SER  33           HA       SER  33 -13.468  -7.047   2.887
  240    HB2  SER  33           HB2      SER  33 -14.419  -4.166   3.085
  241    HB3  SER  33           HB3      SER  33 -14.398  -5.339   4.400
  242    HG   SER  33           HG       SER  33 -12.086  -4.527   2.956
  Start of MODEL   23
    1    HA   ALA   1           HA       ALA   1 -18.076   3.883  -0.494
    2    HB1  ALA   1           HB1      ALA   1 -18.466   4.757   1.745
    3    HB2  ALA   1           HB2      ALA   1 -17.393   3.533   2.422
    4    HB3  ALA   1           HB3      ALA   1 -18.904   3.052   1.652
    5    H    SER   2           H        SER   2 -14.906   3.176  -0.225
    6    HA   SER   2           HA       SER   2 -14.081   5.887  -0.660
    7    HB2  SER   2           HB2      SER   2 -14.257   5.754   1.885
    8    HB3  SER   2           HB3      SER   2 -12.959   4.559   1.829
    9    HG   SER   2           HG       SER   2 -12.445   6.926   2.125
   10    HA   PRO   3           HA       PRO   3 -11.434   2.484  -2.508
   11    HB2  PRO   3           HB2      PRO   3 -11.789   4.119  -4.946
   12    HB3  PRO   3           HB3      PRO   3 -11.970   2.364  -4.722
   13    HG2  PRO   3           HG2      PRO   3 -14.095   3.954  -5.088
   14    HG3  PRO   3           HG3      PRO   3 -14.151   2.541  -4.014
   15    HD2  PRO   3           HD2      PRO   3 -13.903   5.455  -3.275
   16    HD3  PRO   3           HD3      PRO   3 -14.839   4.151  -2.480
   17    H    GLN   4           H        GLN   4 -11.410   5.899  -2.229
   18    HA   GLN   4           HA       GLN   4  -8.898   6.378  -3.491
   19    HB2  GLN   4           HB2      GLN   4 -10.501   8.063  -1.565
   20    HB3  GLN   4           HB3      GLN   4  -9.024   8.604  -2.351
   21    HG2  GLN   4           HG2      GLN   4 -11.339   7.627  -3.986
   22    HG3  GLN   4           HG3      GLN   4 -11.309   9.275  -3.369
   23   HE21  GLN   4          HE21      GLN   4  -8.346   7.673  -4.285
   24   HE22  GLN   4          HE22      GLN   4  -8.076   8.585  -5.726
   25    H    GLN   5           H        GLN   5  -9.924   5.800  -0.175
   26    HA   GLN   5           HA       GLN   5  -7.433   6.366   1.008
   27    HB2  GLN   5           HB2      GLN   5  -8.238   5.379   3.003
   28    HB3  GLN   5           HB3      GLN   5  -9.619   6.151   2.242
   29    HG2  GLN   5           HG2      GLN   5 -10.428   4.017   1.449
   30    HG3  GLN   5           HG3      GLN   5  -8.992   3.212   2.080
   31   HE21  GLN   5          HE21      GLN   5  -8.937   4.834   4.510
   32   HE22  GLN   5          HE22      GLN   5 -10.217   4.234   5.508
   33    H    ALA   6           H        ALA   6  -8.706   3.527  -0.533
   34    HA   ALA   6           HA       ALA   6  -6.655   1.735   0.247
   35    HB1  ALA   6           HB1      ALA   6  -7.364   0.360  -1.657
   36    HB2  ALA   6           HB2      ALA   6  -8.362   1.691  -2.245
   37    HB3  ALA   6           HB3      ALA   6  -8.744   0.914  -0.707
   38    H    LYS   7           H        LYS   7  -6.993   4.009  -2.426
   39    HA   LYS   7           HA       LYS   7  -4.629   3.286  -3.798
   40    HB2  LYS   7           HB2      LYS   7  -6.402   4.680  -4.815
   41    HB3  LYS   7           HB3      LYS   7  -6.020   5.977  -3.694
   42    HG2  LYS   7           HG2      LYS   7  -5.041   6.488  -5.808
   43    HG3  LYS   7           HG3      LYS   7  -3.734   6.087  -4.665
   44    HD2  LYS   7           HD2      LYS   7  -3.663   3.791  -5.596
   45    HD3  LYS   7           HD3      LYS   7  -4.922   4.227  -6.753
   46    HE2  LYS   7           HE2      LYS   7  -2.767   4.344  -7.854
   47    HE3  LYS   7           HE3      LYS   7  -3.408   5.976  -7.667
   48    HZ1  LYS   7           HZ1      LYS   7  -1.052   5.833  -7.117
   49    HZ2  LYS   7           HZ2      LYS   7  -1.388   4.721  -5.891
   50    HZ3  LYS   7           HZ3      LYS   7  -1.962   6.312  -5.773
   51    H    TYR   8           H        TYR   8  -5.304   5.521  -1.170
   52    HA   TYR   8           HA       TYR   8  -2.763   6.703  -0.955
   53    HB2  TYR   8           HB2      TYR   8  -4.801   7.551   0.175
   54    HB3  TYR   8           HB3      TYR   8  -4.778   6.141   1.234
   55    HD1  TYR   8           HD1      TYR   8  -3.037   9.271   0.381
   56    HD2  TYR   8           HD2      TYR   8  -3.348   6.048   3.134
   57    HE1  TYR   8           HE1      TYR   8  -1.652  10.517   1.985
   58    HE2  TYR   8           HE2      TYR   8  -1.954   7.277   4.742
   59    HH   TYR   8           HH       TYR   8  -0.287   9.075   4.744
   60    H    CYS   9           H        CYS   9  -4.141   3.796   0.506
   61    HA   CYS   9           HA       CYS   9  -1.986   3.133   2.179
   62    HB2  CYS   9           HB2      CYS   9  -4.289   2.091   2.228
   63    HB3  CYS   9           HB3      CYS   9  -3.837   1.155   0.797
   64    H    TYR  10           H        TYR  10  -2.723   2.096  -1.138
   65    HA   TYR  10           HA       TYR  10  -0.392   0.509  -1.448
   66    HB2  TYR  10           HB2      TYR  10  -2.407   1.651  -3.379
   67    HB3  TYR  10           HB3      TYR  10  -0.964   0.814  -3.958
   68    HD1  TYR  10           HD1      TYR  10  -4.258   0.432  -2.464
   69    HD2  TYR  10           HD2      TYR  10  -0.615  -1.548  -3.409
   70    HE1  TYR  10           HE1      TYR  10  -5.373  -1.735  -2.202
   71    HE2  TYR  10           HE2      TYR  10  -1.718  -3.710  -3.155
   72    HH   TYR  10           HH       TYR  10  -5.049  -4.089  -3.027
   73    H    GLU  11           H        GLU  11  -1.115   3.879  -2.198
   74    HA   GLU  11           HA       GLU  11   1.190   4.298  -3.789
   75    HB2  GLU  11           HB2      GLU  11  -0.948   5.672  -3.796
   76    HB3  GLU  11           HB3      GLU  11  -0.371   6.419  -2.293
   77    HG2  GLU  11           HG2      GLU  11   1.554   7.320  -3.449
   78    HG3  GLU  11           HG3      GLU  11   1.060   6.503  -4.951
   79    H    GLN  12           H        GLN  12   0.504   4.768  -0.336
   80    HA   GLN  12           HA       GLN  12   2.993   6.073   0.164
   81    HB2  GLN  12           HB2      GLN  12   0.935   4.851   2.006
   82    HB3  GLN  12           HB3      GLN  12   2.381   5.663   2.582
   83    HG2  GLN  12           HG2      GLN  12   0.618   7.078   0.665
   84    HG3  GLN  12           HG3      GLN  12   0.103   6.924   2.339
   85   HE21  GLN  12          HE21      GLN  12   3.473   7.116   1.532
   86   HE22  GLN  12          HE22      GLN  12   3.724   8.720   2.137
   87    H    CYS  13           H        CYS  13   2.028   2.801  -0.162
   88    HA   CYS  13           HA       CYS  13   3.804   1.464   1.491
   89    HB2  CYS  13           HB2      CYS  13   2.623   0.759  -1.190
   90    HB3  CYS  13           HB3      CYS  13   3.769  -0.314  -0.389
   91    H    ASN  14           H        ASN  14   4.391   2.448  -1.915
   92    HA   ASN  14           HA       ASN  14   7.140   1.609  -1.710
   93    HB2  ASN  14           HB2      ASN  14   7.348   2.511  -4.019
   94    HB3  ASN  14           HB3      ASN  14   6.036   1.357  -3.841
   95   HD21  ASN  14          HD21      ASN  14   6.822   4.750  -4.370
   96   HD22  ASN  14          HD22      ASN  14   5.225   5.210  -4.862
   97    H    VAL  15           H        VAL  15   5.366   4.571  -1.359
   98    HA   VAL  15           HA       VAL  15   7.511   6.377  -1.490
   99    HB   VAL  15           HB       VAL  15   4.934   6.549   0.083
  100   HG11  VAL  15          HG11      VAL  15   6.615   7.987   1.114
  101   HG12  VAL  15          HG12      VAL  15   5.396   8.957   0.285
  102   HG13  VAL  15          HG13      VAL  15   6.978   8.708  -0.453
  103   HG21  VAL  15          HG21      VAL  15   5.788   7.793  -2.536
  104   HG22  VAL  15          HG22      VAL  15   4.264   8.110  -1.707
  105   HG23  VAL  15          HG23      VAL  15   4.608   6.498  -2.333
  106    H    ASN  16           H        ASN  16   6.265   4.348   1.148
  107    HA   ASN  16           HA       ASN  16   8.215   5.420   3.003
  108    HB2  ASN  16           HB2      ASN  16   6.508   2.915   3.227
  109    HB3  ASN  16           HB3      ASN  16   7.458   3.641   4.524
  110   HD21  ASN  16          HD21      ASN  16   6.718   6.372   3.675
  111   HD22  ASN  16          HD22      ASN  16   5.083   6.575   4.211
  112    H    LYS  17           H        LYS  17   7.738   1.968   2.350
  113    HA   LYS  17           HA       LYS  17   9.727   1.480   0.542
  114    HB2  LYS  17           HB2      LYS  17  11.145   2.363   2.555
  115    HB3  LYS  17           HB3      LYS  17  10.852   0.753   3.224
  116    HG2  LYS  17           HG2      LYS  17  11.944  -0.286   1.345
  117    HG3  LYS  17           HG3      LYS  17  12.116   1.276   0.531
  118    HD2  LYS  17           HD2      LYS  17  13.439   2.032   2.596
  119    HD3  LYS  17           HD3      LYS  17  13.469   0.315   3.049
  120    HE2  LYS  17           HE2      LYS  17  14.600  -0.251   0.983
  121    HE3  LYS  17           HE3      LYS  17  14.495   1.421   0.432
  122    HZ1  LYS  17           HZ1      LYS  17  15.893   2.067   2.309
  123    HZ2  LYS  17           HZ2      LYS  17  16.676   0.948   1.311
  124    HZ3  LYS  17           HZ3      LYS  17  16.021   0.450   2.788
  125    H    VAL  18           H        VAL  18   7.898  -0.029   0.040
  126    HA   VAL  18           HA       VAL  18   8.403  -2.582   1.357
  127    HB   VAL  18           HB       VAL  18   6.363  -3.022   2.260
  128   HG11  VAL  18          HG11      VAL  18   6.997  -0.894   3.306
  129   HG12  VAL  18          HG12      VAL  18   5.252  -1.149   3.283
  130   HG13  VAL  18          HG13      VAL  18   5.995  -0.032   2.138
  131   HG21  VAL  18          HG21      VAL  18   4.193  -2.157   1.326
  132   HG22  VAL  18          HG22      VAL  18   5.145  -3.185   0.250
  133   HG23  VAL  18          HG23      VAL  18   5.142  -1.437   0.020
  134    HA   PRO  19           HA       PRO  19   7.815  -4.114  -2.828
  135    HB2  PRO  19           HB2      PRO  19   6.871  -6.601  -1.547
  136    HB3  PRO  19           HB3      PRO  19   8.249  -6.357  -2.635
  137    HG2  PRO  19           HG2      PRO  19   8.603  -6.859  -0.022
  138    HG3  PRO  19           HG3      PRO  19   9.677  -5.774  -0.928
  139    HD2  PRO  19           HD2      PRO  19   7.456  -5.079   0.969
  140    HD3  PRO  19           HD3      PRO  19   9.050  -4.321   0.748
  141    H    PHE  20           H        PHE  20   6.089  -4.389  -4.221
  142    HA   PHE  20           HA       PHE  20   3.625  -3.332  -3.413
  143    HB2  PHE  20           HB2      PHE  20   4.575  -3.314  -5.758
  144    HB3  PHE  20           HB3      PHE  20   4.051  -4.988  -5.902
  145    HD1  PHE  20           HD1      PHE  20   1.684  -5.550  -6.005
  146    HD2  PHE  20           HD2      PHE  20   2.996  -1.511  -5.742
  147    HE1  PHE  20           HE1      PHE  20  -0.557  -4.781  -6.681
  148    HE2  PHE  20           HE2      PHE  20   0.761  -0.734  -6.417
  149    HZ   PHE  20           HZ       PHE  20  -1.019  -2.370  -6.885
  150    H    ASP  21           H        ASP  21   4.634  -6.692  -3.873
  151    HA   ASP  21           HA       ASP  21   2.059  -7.812  -3.566
  152    HB2  ASP  21           HB2      ASP  21   3.251  -9.930  -3.034
  153    HB3  ASP  21           HB3      ASP  21   3.790  -9.173  -4.528
  154    H    GLN  22           H        GLN  22   4.582  -7.005  -1.216
  155    HA   GLN  22           HA       GLN  22   3.198  -7.939   1.062
  156    HB2  GLN  22           HB2      GLN  22   5.571  -7.383   1.197
  157    HB3  GLN  22           HB3      GLN  22   5.228  -5.699   0.815
  158    HG2  GLN  22           HG2      GLN  22   3.853  -5.590   2.899
  159    HG3  GLN  22           HG3      GLN  22   4.440  -7.211   3.292
  160   HE21  GLN  22          HE21      GLN  22   4.804  -4.686   4.720
  161   HE22  GLN  22          HE22      GLN  22   6.516  -4.468   4.857
  162    H    CYS  23           H        CYS  23   3.107  -4.929  -0.764
  163    HA   CYS  23           HA       CYS  23   1.477  -3.489   1.045
  164    HB2  CYS  23           HB2      CYS  23   2.687  -2.493  -0.957
  165    HB3  CYS  23           HB3      CYS  23   1.399  -3.164  -1.962
  166    H    TYR  24           H        TYR  24   0.695  -5.588  -1.702
  167    HA   TYR  24           HA       TYR  24  -2.089  -5.451  -1.527
  168    HB2  TYR  24           HB2      TYR  24  -0.660  -6.673  -3.303
  169    HB3  TYR  24           HB3      TYR  24  -0.609  -8.017  -2.151
  170    HD1  TYR  24           HD1      TYR  24  -2.560  -6.294  -4.636
  171    HD2  TYR  24           HD2      TYR  24  -2.760  -9.102  -1.452
  172    HE1  TYR  24           HE1      TYR  24  -4.735  -7.070  -5.468
  173    HE2  TYR  24           HE2      TYR  24  -4.934  -9.890  -2.273
  174    HH   TYR  24           HH       TYR  24  -6.118  -9.215  -5.308
  175    H    GLN  25           H        GLN  25   0.253  -7.243   0.369
  176    HA   GLN  25           HA       GLN  25  -1.540  -8.988   1.666
  177    HB2  GLN  25           HB2      GLN  25   0.859  -9.411   1.692
  178    HB3  GLN  25           HB3      GLN  25   1.159  -7.870   2.486
  179    HG2  GLN  25           HG2      GLN  25  -0.110  -8.720   4.462
  180    HG3  GLN  25           HG3      GLN  25  -0.167 -10.296   3.673
  181   HE21  GLN  25          HE21      GLN  25   1.102  -9.435   6.174
  182   HE22  GLN  25          HE22      GLN  25   2.769  -9.880   6.023
  183    H    MET  26           H        MET  26  -0.347  -5.755   2.472
  184    HA   MET  26           HA       MET  26  -1.691  -5.780   5.024
  185    HB2  MET  26           HB2      MET  26   0.468  -4.748   4.950
  186    HB3  MET  26           HB3      MET  26  -0.001  -3.742   3.591
  187    HG2  MET  26           HG2      MET  26  -1.590  -2.545   5.056
  188    HG3  MET  26           HG3      MET  26  -1.030  -3.521   6.415
  189    HE1  MET  26           HE1      MET  26   1.725  -0.569   4.149
  190    HE2  MET  26           HE2      MET  26   0.069  -0.922   3.657
  191    HE3  MET  26           HE3      MET  26   1.318  -2.158   3.510
  192    H    CYS  27           H        CYS  27  -2.100  -4.099   1.912
  193    HA   CYS  27           HA       CYS  27  -4.206  -2.457   3.034
  194    HB2  CYS  27           HB2      CYS  27  -3.252  -2.643   0.159
  195    HB3  CYS  27           HB3      CYS  27  -4.320  -1.400   0.837
  196    H    SER  28           H        SER  28  -4.151  -5.551   1.578
  197    HA   SER  28           HA       SER  28  -6.535  -5.427   0.122
  198    HB2  SER  28           HB2      SER  28  -6.590  -7.959   0.450
  199    HB3  SER  28           HB3      SER  28  -5.189  -7.266  -0.377
  200    HG   SER  28           HG       SER  28  -3.943  -7.792   1.252
  201    HA   PRO  29           HA       PRO  29  -8.873  -7.150   4.095
  202    HB2  PRO  29           HB2      PRO  29  -7.248  -5.706   6.133
  203    HB3  PRO  29           HB3      PRO  29  -8.078  -7.270   6.257
  204    HG2  PRO  29           HG2      PRO  29  -5.442  -7.210   5.971
  205    HG3  PRO  29           HG3      PRO  29  -6.416  -8.403   5.071
  206    HD2  PRO  29           HD2      PRO  29  -5.175  -5.839   4.095
  207    HD3  PRO  29           HD3      PRO  29  -5.292  -7.419   3.285
  208    H    LEU  30           H        LEU  30  -7.287  -4.030   3.976
  209    HA   LEU  30           HA       LEU  30  -9.388  -2.431   4.993
  210    HB2  LEU  30           HB2      LEU  30  -6.924  -1.800   4.581
  211    HB3  LEU  30           HB3      LEU  30  -7.372  -1.627   2.877
  212    HG   LEU  30           HG       LEU  30  -8.362   0.052   5.210
  213   HD11  LEU  30          HD11      LEU  30  -7.199   1.857   4.018
  214   HD12  LEU  30          HD12      LEU  30  -6.646   0.698   2.807
  215   HD13  LEU  30          HD13      LEU  30  -6.094   0.561   4.479
  216   HD21  LEU  30          HD21      LEU  30 -10.155  -0.285   3.542
  217   HD22  LEU  30          HD22      LEU  30  -9.074   0.315   2.281
  218   HD23  LEU  30          HD23      LEU  30  -9.583   1.384   3.590
  219    H    GLU  31           H        GLU  31  -8.318  -3.053   1.687
  220    HA   GLU  31           HA       GLU  31 -10.430  -1.674   0.438
  221    HB2  GLU  31           HB2      GLU  31  -8.171  -2.241  -0.553
  222    HB3  GLU  31           HB3      GLU  31  -8.767  -3.894  -0.772
  223    HG2  GLU  31           HG2      GLU  31 -10.111  -1.490  -2.003
  224    HG3  GLU  31           HG3      GLU  31  -8.825  -2.395  -2.804
  225    H    ARG  32           H        ARG  32  -9.972  -5.114   1.139
  226    HA   ARG  32           HA       ARG  32 -12.846  -5.491   0.663
  227    HB2  ARG  32           HB2      ARG  32 -11.413  -6.335  -1.280
  228    HB3  ARG  32           HB3      ARG  32 -10.733  -7.510  -0.148
  229    HG2  ARG  32           HG2      ARG  32 -12.454  -8.584  -1.465
  230    HG3  ARG  32           HG3      ARG  32 -12.995  -8.450   0.209
  231    HD2  ARG  32           HD2      ARG  32 -14.543  -7.818  -1.870
  232    HD3  ARG  32           HD3      ARG  32 -14.684  -7.016  -0.310
  233    HE   ARG  32           HE       ARG  32 -12.808  -5.663  -1.956
  234   HH11  ARG  32          HH11      ARG  32 -16.252  -6.167  -1.581
  235   HH12  ARG  32          HH12      ARG  32 -16.683  -4.652  -2.308
  236   HH21  ARG  32          HH21      ARG  32 -13.353  -3.643  -2.863
  237   HH22  ARG  32          HH22      ARG  32 -15.034  -3.219  -3.046
  238    H    SER  33           H        SER  33 -13.809  -6.361   2.389
  239    HA   SER  33           HA       SER  33 -12.082  -7.684   4.382
  240    HB2  SER  33           HB2      SER  33 -14.667  -6.206   4.965
  241    HB3  SER  33           HB3      SER  33 -13.467  -6.773   6.126
  242    HG   SER  33           HG       SER  33 -12.002  -5.300   4.783
  Start of MODEL   24
    1    HA   ALA   1           HA       ALA   1 -15.046  -0.485   0.491
    2    HB1  ALA   1           HB1      ALA   1 -15.791   0.582  -1.564
    3    HB2  ALA   1           HB2      ALA   1 -17.243   1.167  -0.752
    4    HB3  ALA   1           HB3      ALA   1 -17.003  -0.562  -0.987
    5    H    SER   2           H        SER   2 -13.415   0.968   0.016
    6    HA   SER   2           HA       SER   2 -13.764   3.799   0.470
    7    HB2  SER   2           HB2      SER   2 -11.872   3.840   2.203
    8    HB3  SER   2           HB3      SER   2 -13.406   3.192   2.784
    9    HG   SER   2           HG       SER   2 -12.443   1.073   2.147
   10    HA   PRO   3           HA       PRO   3 -10.834   2.156  -2.870
   11    HB2  PRO   3           HB2      PRO   3 -12.055   4.581  -4.124
   12    HB3  PRO   3           HB3      PRO   3 -11.651   3.010  -4.857
   13    HG2  PRO   3           HG2      PRO   3 -14.163   3.564  -4.278
   14    HG3  PRO   3           HG3      PRO   3 -13.499   1.958  -3.903
   15    HD2  PRO   3           HD2      PRO   3 -14.042   4.249  -2.019
   16    HD3  PRO   3           HD3      PRO   3 -14.278   2.490  -1.779
   17    H    GLN   4           H        GLN   4 -11.386   5.509  -1.801
   18    HA   GLN   4           HA       GLN   4  -8.959   6.513  -2.824
   19    HB2  GLN   4           HB2      GLN   4 -10.921   7.922  -2.251
   20    HB3  GLN   4           HB3      GLN   4 -10.616   7.607  -0.547
   21    HG2  GLN   4           HG2      GLN   4  -9.616   9.666  -0.820
   22    HG3  GLN   4           HG3      GLN   4  -8.256   8.573  -1.070
   23   HE21  GLN   4          HE21      GLN   4  -9.329   7.816  -3.769
   24   HE22  GLN   4          HE22      GLN   4  -8.936   9.157  -4.789
   25    H    GLN   5           H        GLN   5  -9.865   5.245   0.341
   26    HA   GLN   5           HA       GLN   5  -7.411   5.818   1.621
   27    HB2  GLN   5           HB2      GLN   5  -9.515   3.745   2.206
   28    HB3  GLN   5           HB3      GLN   5  -8.080   3.944   3.194
   29    HG2  GLN   5           HG2      GLN   5 -10.104   6.119   2.689
   30    HG3  GLN   5           HG3      GLN   5 -10.073   5.089   4.118
   31   HE21  GLN   5          HE21      GLN   5  -7.131   5.057   4.213
   32   HE22  GLN   5          HE22      GLN   5  -6.670   6.615   4.807
   33    H    ALA   6           H        ALA   6  -8.587   3.050  -0.184
   34    HA   ALA   6           HA       ALA   6  -6.371   1.370   0.222
   35    HB1  ALA   6           HB1      ALA   6  -8.175   1.463  -2.190
   36    HB2  ALA   6           HB2      ALA   6  -8.511   0.584  -0.699
   37    HB3  ALA   6           HB3      ALA   6  -7.138   0.124  -1.706
   38    H    LYS   7           H        LYS   7  -7.061   3.798  -2.253
   39    HA   LYS   7           HA       LYS   7  -4.754   3.315  -3.812
   40    HB2  LYS   7           HB2      LYS   7  -6.811   4.602  -4.529
   41    HB3  LYS   7           HB3      LYS   7  -6.230   5.943  -3.552
   42    HG2  LYS   7           HG2      LYS   7  -5.683   6.256  -5.902
   43    HG3  LYS   7           HG3      LYS   7  -4.211   6.093  -4.907
   44    HD2  LYS   7           HD2      LYS   7  -3.980   3.758  -5.587
   45    HD3  LYS   7           HD3      LYS   7  -5.495   3.840  -6.492
   46    HE2  LYS   7           HE2      LYS   7  -2.980   5.410  -7.087
   47    HE3  LYS   7           HE3      LYS   7  -3.561   4.014  -7.992
   48    HZ1  LYS   7           HZ1      LYS   7  -4.901   6.653  -7.754
   49    HZ2  LYS   7           HZ2      LYS   7  -5.577   5.304  -8.511
   50    HZ3  LYS   7           HZ3      LYS   7  -4.172   6.003  -9.134
   51    H    TYR   8           H        TYR   8  -5.405   5.397  -1.060
   52    HA   TYR   8           HA       TYR   8  -2.936   6.772  -1.013
   53    HB2  TYR   8           HB2      TYR   8  -4.979   7.476   0.233
   54    HB3  TYR   8           HB3      TYR   8  -4.774   6.084   1.295
   55    HD1  TYR   8           HD1      TYR   8  -3.253   9.290   0.264
   56    HD2  TYR   8           HD2      TYR   8  -3.307   6.160   3.143
   57    HE1  TYR   8           HE1      TYR   8  -1.864  10.653   1.763
   58    HE2  TYR   8           HE2      TYR   8  -1.911   7.510   4.648
   59    HH   TYR   8           HH       TYR   8  -1.346  10.844   4.124
   60    H    CYS   9           H        CYS   9  -4.060   3.782   0.490
   61    HA   CYS   9           HA       CYS   9  -1.797   3.204   2.041
   62    HB2  CYS   9           HB2      CYS   9  -4.003   2.039   2.217
   63    HB3  CYS   9           HB3      CYS   9  -3.657   1.211   0.694
   64    H    TYR  10           H        TYR  10  -2.630   2.174  -1.265
   65    HA   TYR  10           HA       TYR  10  -0.256   0.706  -1.705
   66    HB2  TYR  10           HB2      TYR  10  -2.333   1.869  -3.559
   67    HB3  TYR  10           HB3      TYR  10  -0.880   1.085  -4.185
   68    HD1  TYR  10           HD1      TYR  10  -4.169   0.580  -2.769
   69    HD2  TYR  10           HD2      TYR  10  -0.450  -1.301  -3.616
   70    HE1  TYR  10           HE1      TYR  10  -5.240  -1.615  -2.577
   71    HE2  TYR  10           HE2      TYR  10  -1.513  -3.495  -3.421
   72    HH   TYR  10           HH       TYR  10  -3.462  -4.527  -2.404
   73    H    GLU  11           H        GLU  11  -1.102   4.089  -2.330
   74    HA   GLU  11           HA       GLU  11   1.157   4.696  -3.887
   75    HB2  GLU  11           HB2      GLU  11  -0.858   6.143  -3.776
   76    HB3  GLU  11           HB3      GLU  11  -0.431   6.577  -2.106
   77    HG2  GLU  11           HG2      GLU  11   1.740   7.468  -3.005
   78    HG3  GLU  11           HG3      GLU  11   1.074   7.224  -4.637
   79    H    GLN  12           H        GLN  12   0.586   4.905  -0.379
   80    HA   GLN  12           HA       GLN  12   3.090   6.159   0.133
   81    HB2  GLN  12           HB2      GLN  12   1.098   4.795   1.951
   82    HB3  GLN  12           HB3      GLN  12   2.547   5.594   2.535
   83    HG2  GLN  12           HG2      GLN  12   0.650   7.075   0.792
   84    HG3  GLN  12           HG3      GLN  12   0.274   6.837   2.491
   85   HE21  GLN  12          HE21      GLN  12   3.547   7.179   1.350
   86   HE22  GLN  12          HE22      GLN  12   3.825   8.742   2.036
   87    H    CYS  13           H        CYS  13   2.145   2.927  -0.425
   88    HA   CYS  13           HA       CYS  13   3.907   1.525   1.192
   89    HB2  CYS  13           HB2      CYS  13   2.617   0.886  -1.445
   90    HB3  CYS  13           HB3      CYS  13   3.834  -0.202  -0.768
   91    H    ASN  14           H        ASN  14   4.518   2.503  -2.225
   92    HA   ASN  14           HA       ASN  14   7.247   1.642  -2.009
   93    HB2  ASN  14           HB2      ASN  14   7.520   2.636  -4.259
   94    HB3  ASN  14           HB3      ASN  14   6.127   1.570  -4.169
   95   HD21  ASN  14          HD21      ASN  14   7.151   4.938  -4.405
   96   HD22  ASN  14          HD22      ASN  14   5.612   5.541  -4.918
   97    H    VAL  15           H        VAL  15   5.535   4.594  -1.459
   98    HA   VAL  15           HA       VAL  15   7.725   6.368  -1.546
   99    HB   VAL  15           HB       VAL  15   5.119   6.583  -0.025
  100   HG11  VAL  15          HG11      VAL  15   7.170   8.728  -0.592
  101   HG12  VAL  15          HG12      VAL  15   6.849   8.002   0.981
  102   HG13  VAL  15          HG13      VAL  15   5.606   8.968   0.186
  103   HG21  VAL  15          HG21      VAL  15   6.015   7.766  -2.658
  104   HG22  VAL  15          HG22      VAL  15   4.497   8.139  -1.845
  105   HG23  VAL  15          HG23      VAL  15   4.799   6.508  -2.435
  106    H    ASN  16           H        ASN  16   6.362   4.335   1.014
  107    HA   ASN  16           HA       ASN  16   8.244   5.419   2.958
  108    HB2  ASN  16           HB2      ASN  16   6.297   3.106   3.246
  109    HB3  ASN  16           HB3      ASN  16   7.201   3.881   4.551
  110   HD21  ASN  16          HD21      ASN  16   6.799   6.559   3.429
  111   HD22  ASN  16          HD22      ASN  16   5.148   6.958   3.766
  112    H    LYS  17           H        LYS  17   7.468   1.993   2.425
  113    HA   LYS  17           HA       LYS  17   9.673   1.204   0.998
  114    HB2  LYS  17           HB2      LYS  17  10.977   2.002   2.991
  115    HB3  LYS  17           HB3      LYS  17  10.171   0.746   3.945
  116    HG2  LYS  17           HG2      LYS  17  11.114  -0.967   2.442
  117    HG3  LYS  17           HG3      LYS  17  11.968   0.302   1.560
  118    HD2  LYS  17           HD2      LYS  17  13.252   0.894   3.495
  119    HD3  LYS  17           HD3      LYS  17  12.312  -0.204   4.530
  120    HE2  LYS  17           HE2      LYS  17  14.092  -1.001   2.214
  121    HE3  LYS  17           HE3      LYS  17  14.485  -1.169   3.923
  122    HZ1  LYS  17           HZ1      LYS  17  12.611  -2.691   4.154
  123    HZ2  LYS  17           HZ2      LYS  17  13.709  -3.254   3.004
  124    HZ3  LYS  17           HZ3      LYS  17  12.259  -2.542   2.509
  125    H    VAL  18           H        VAL  18   7.805  -0.105   0.246
  126    HA   VAL  18           HA       VAL  18   7.934  -2.692   1.463
  127    HB   VAL  18           HB       VAL  18   6.286  -2.158   2.984
  128   HG11  VAL  18          HG11      VAL  18   5.859   0.102   2.259
  129   HG12  VAL  18          HG12      VAL  18   4.330  -0.745   2.507
  130   HG13  VAL  18          HG13      VAL  18   4.941  -0.486   0.873
  131   HG21  VAL  18          HG21      VAL  18   5.520  -4.094   1.791
  132   HG22  VAL  18          HG22      VAL  18   4.797  -3.096   0.534
  133   HG23  VAL  18          HG23      VAL  18   4.120  -3.086   2.164
  134    HA   PRO  19           HA       PRO  19   7.589  -3.661  -2.860
  135    HB2  PRO  19           HB2      PRO  19   6.989  -6.355  -1.771
  136    HB3  PRO  19           HB3      PRO  19   8.228  -5.865  -2.942
  137    HG2  PRO  19           HG2      PRO  19   8.894  -6.491  -0.434
  138    HG3  PRO  19           HG3      PRO  19   9.703  -5.174  -1.305
  139    HD2  PRO  19           HD2      PRO  19   7.609  -5.019   0.832
  140    HD3  PRO  19           HD3      PRO  19   9.014  -3.969   0.529
  141    H    PHE  20           H        PHE  20   5.944  -4.205  -4.362
  142    HA   PHE  20           HA       PHE  20   3.413  -3.342  -3.639
  143    HB2  PHE  20           HB2      PHE  20   4.300  -3.399  -5.971
  144    HB3  PHE  20           HB3      PHE  20   4.009  -5.134  -5.997
  145    HD1  PHE  20           HD1      PHE  20   2.443  -1.826  -5.943
  146    HD2  PHE  20           HD2      PHE  20   1.782  -6.024  -6.180
  147    HE1  PHE  20           HE1      PHE  20   0.124  -1.416  -6.655
  148    HE2  PHE  20           HE2      PHE  20  -0.536  -5.619  -6.897
  149    HZ   PHE  20           HZ       PHE  20  -1.367  -3.318  -7.135
  150    H    ASP  21           H        ASP  21   4.524  -6.708  -4.008
  151    HA   ASP  21           HA       ASP  21   1.960  -7.861  -3.698
  152    HB2  ASP  21           HB2      ASP  21   3.135  -9.980  -3.344
  153    HB3  ASP  21           HB3      ASP  21   3.801  -9.108  -4.722
  154    H    GLN  22           H        GLN  22   4.562  -7.213  -1.368
  155    HA   GLN  22           HA       GLN  22   3.158  -8.266   0.862
  156    HB2  GLN  22           HB2      GLN  22   5.608  -7.908   0.821
  157    HB3  GLN  22           HB3      GLN  22   5.337  -6.169   0.822
  158    HG2  GLN  22           HG2      GLN  22   5.869  -6.889   3.040
  159    HG3  GLN  22           HG3      GLN  22   4.169  -6.395   2.988
  160   HE21  GLN  22          HE21      GLN  22   6.379  -9.063   3.275
  161   HE22  GLN  22          HE22      GLN  22   5.218 -10.218   3.832
  162    H    CYS  23           H        CYS  23   3.341  -5.097  -0.659
  163    HA   CYS  23           HA       CYS  23   1.812  -3.617   1.178
  164    HB2  CYS  23           HB2      CYS  23   2.988  -2.571  -0.744
  165    HB3  CYS  23           HB3      CYS  23   1.853  -3.349  -1.846
  166    H    TYR  24           H        TYR  24   0.849  -5.651  -1.535
  167    HA   TYR  24           HA       TYR  24  -1.899  -5.272  -1.464
  168    HB2  TYR  24           HB2      TYR  24  -0.640  -6.611  -3.189
  169    HB3  TYR  24           HB3      TYR  24  -0.497  -7.911  -1.995
  170    HD1  TYR  24           HD1      TYR  24  -2.445  -9.215  -1.339
  171    HD2  TYR  24           HD2      TYR  24  -2.743  -6.146  -4.264
  172    HE1  TYR  24           HE1      TYR  24  -4.626 -10.093  -2.031
  173    HE2  TYR  24           HE2      TYR  24  -4.928  -7.017  -4.966
  174    HH   TYR  24           HH       TYR  24  -6.657  -9.317  -3.145
  175    H    GLN  25           H        GLN  25   0.175  -7.167   0.638
  176    HA   GLN  25           HA       GLN  25  -1.957  -8.714   1.759
  177    HB2  GLN  25           HB2      GLN  25   0.921  -8.278   2.571
  178    HB3  GLN  25           HB3      GLN  25  -0.186  -9.221   3.561
  179    HG2  GLN  25           HG2      GLN  25   0.223  -9.900   0.658
  180    HG3  GLN  25           HG3      GLN  25   1.346 -10.460   1.890
  181   HE21  GLN  25          HE21      GLN  25  -2.055 -10.103   2.586
  182   HE22  GLN  25          HE22      GLN  25  -2.417 -11.789   2.647
  183    H    MET  26           H        MET  26  -0.552  -5.616   2.449
  184    HA   MET  26           HA       MET  26  -1.920  -5.454   5.006
  185    HB2  MET  26           HB2      MET  26   0.282  -4.475   4.926
  186    HB3  MET  26           HB3      MET  26  -0.150  -3.519   3.517
  187    HG2  MET  26           HG2      MET  26  -1.769  -2.259   4.898
  188    HG3  MET  26           HG3      MET  26  -1.242  -3.178   6.308
  189    HE1  MET  26           HE1      MET  26  -0.142  -0.604   3.531
  190    HE2  MET  26           HE2      MET  26   1.071  -1.872   3.359
  191    HE3  MET  26           HE3      MET  26   1.529  -0.291   3.989
  192    H    CYS  27           H        CYS  27  -2.047  -3.842   1.826
  193    HA   CYS  27           HA       CYS  27  -4.195  -2.133   2.674
  194    HB2  CYS  27           HB2      CYS  27  -3.188  -2.588  -0.151
  195    HB3  CYS  27           HB3      CYS  27  -4.150  -1.220   0.440
  196    H    SER  28           H        SER  28  -4.069  -5.256   1.073
  197    HA   SER  28           HA       SER  28  -6.572  -5.116  -0.193
  198    HB2  SER  28           HB2      SER  28  -4.907  -6.915  -0.653
  199    HB3  SER  28           HB3      SER  28  -5.356  -7.658   0.891
  200    HG   SER  28           HG       SER  28  -7.416  -7.026  -0.878
  201    HA   PRO  29           HA       PRO  29  -8.445  -7.011   4.005
  202    HB2  PRO  29           HB2      PRO  29  -6.515  -5.522   5.732
  203    HB3  PRO  29           HB3      PRO  29  -7.382  -7.037   6.063
  204    HG2  PRO  29           HG2      PRO  29  -4.829  -7.137   5.380
  205    HG3  PRO  29           HG3      PRO  29  -5.982  -8.296   4.666
  206    HD2  PRO  29           HD2      PRO  29  -4.750  -5.842   3.444
  207    HD3  PRO  29           HD3      PRO  29  -5.109  -7.419   2.703
  208    H    LEU  30           H        LEU  30  -6.928  -3.862   3.686
  209    HA   LEU  30           HA       LEU  30  -8.934  -2.332   4.988
  210    HB2  LEU  30           HB2      LEU  30  -6.533  -1.647   4.378
  211    HB3  LEU  30           HB3      LEU  30  -7.134  -1.418   2.729
  212    HG   LEU  30           HG       LEU  30  -7.996   0.143   5.191
  213   HD11  LEU  30          HD11      LEU  30  -6.867   2.009   4.038
  214   HD12  LEU  30          HD12      LEU  30  -6.326   0.887   2.788
  215   HD13  LEU  30          HD13      LEU  30  -5.755   0.701   4.447
  216   HD21  LEU  30          HD21      LEU  30  -9.242   1.568   3.661
  217   HD22  LEU  30          HD22      LEU  30  -9.835  -0.094   3.562
  218   HD23  LEU  30          HD23      LEU  30  -8.783   0.545   2.298
  219    H    GLU  31           H        GLU  31  -8.307  -3.214   1.650
  220    HA   GLU  31           HA       GLU  31 -10.506  -1.701   0.606
  221    HB2  GLU  31           HB2      GLU  31  -8.275  -2.196  -0.542
  222    HB3  GLU  31           HB3      GLU  31  -8.906  -3.822  -0.833
  223    HG2  GLU  31           HG2      GLU  31 -10.346  -1.354  -1.792
  224    HG3  GLU  31           HG3      GLU  31  -9.072  -2.139  -2.735
  225    H    ARG  32           H        ARG  32  -9.819  -5.187   0.252
  226    HA   ARG  32           HA       ARG  32 -12.457  -5.918   1.172
  227    HB2  ARG  32           HB2      ARG  32 -11.705  -6.073  -1.740
  228    HB3  ARG  32           HB3      ARG  32 -12.824  -7.247  -1.055
  229    HG2  ARG  32           HG2      ARG  32 -13.231  -4.238  -1.030
  230    HG3  ARG  32           HG3      ARG  32 -13.930  -5.326  -2.228
  231    HD2  ARG  32           HD2      ARG  32 -15.578  -4.779  -0.555
  232    HD3  ARG  32           HD3      ARG  32 -15.164  -6.480  -0.408
  233    HE   ARG  32           HE       ARG  32 -13.788  -4.570   1.336
  234   HH11  ARG  32          HH11      ARG  32 -16.208  -7.072   0.952
  235   HH12  ARG  32          HH12      ARG  32 -16.366  -7.363   2.653
  236   HH21  ARG  32          HH21      ARG  32 -14.001  -4.944   3.582
  237   HH22  ARG  32          HH22      ARG  32 -15.110  -6.152   4.150
  238    H    SER  33           H        SER  33 -11.787  -7.468   2.548
  239    HA   SER  33           HA       SER  33 -10.824  -9.924   1.362
  240    HB2  SER  33           HB2      SER  33  -9.228  -8.604   3.580
  241    HB3  SER  33           HB3      SER  33  -8.983 -10.246   2.998
  242    HG   SER  33           HG       SER  33  -8.972  -8.369   0.997
  Start of MODEL   25
    1    HA   ALA   1           HA       ALA   1 -16.048   1.974   2.453
    2    HB1  ALA   1           HB1      ALA   1 -17.965   1.422   1.051
    3    HB2  ALA   1           HB2      ALA   1 -16.629   2.029   0.074
    4    HB3  ALA   1           HB3      ALA   1 -18.003   3.074   0.436
    5    H    SER   2           H        SER   2 -14.290   2.762   1.241
    6    HA   SER   2           HA       SER   2 -14.119   5.516   0.448
    7    HB2  SER   2           HB2      SER   2 -13.859   5.529   3.029
    8    HB3  SER   2           HB3      SER   2 -12.310   4.733   2.746
    9    HG   SER   2           HG       SER   2 -11.823   6.852   2.741
   10    HA   PRO   3           HA       PRO   3 -11.407   2.293  -1.689
   11    HB2  PRO   3           HB2      PRO   3 -12.229   4.143  -3.885
   12    HB3  PRO   3           HB3      PRO   3 -12.046   2.375  -3.909
   13    HG2  PRO   3           HG2      PRO   3 -14.459   3.424  -3.809
   14    HG3  PRO   3           HG3      PRO   3 -14.058   2.038  -2.773
   15    HD2  PRO   3           HD2      PRO   3 -14.277   4.950  -2.012
   16    HD3  PRO   3           HD3      PRO   3 -14.816   3.493  -1.120
   17    H    GLN   4           H        GLN   4 -11.472   5.759  -1.454
   18    HA   GLN   4           HA       GLN   4  -9.012   6.312  -2.738
   19    HB2  GLN   4           HB2      GLN   4 -10.475   7.837  -0.579
   20    HB3  GLN   4           HB3      GLN   4  -9.050   8.438  -1.412
   21    HG2  GLN   4           HG2      GLN   4 -10.320   8.272  -3.564
   22    HG3  GLN   4           HG3      GLN   4 -11.754   7.860  -2.627
   23   HE21  GLN   4          HE21      GLN   4 -10.941   9.670  -0.432
   24   HE22  GLN   4          HE22      GLN   4 -11.285  11.268  -1.006
   25    H    GLN   5           H        GLN   5  -9.850   5.237   0.466
   26    HA   GLN   5           HA       GLN   5  -7.356   5.721   1.704
   27    HB2  GLN   5           HB2      GLN   5  -9.506   3.692   2.299
   28    HB3  GLN   5           HB3      GLN   5  -8.044   3.826   3.259
   29    HG2  GLN   5           HG2      GLN   5  -8.648   6.184   3.765
   30    HG3  GLN   5           HG3      GLN   5 -10.168   5.933   2.904
   31   HE21  GLN   5          HE21      GLN   5 -11.369   6.345   4.836
   32   HE22  GLN   5          HE22      GLN   5 -11.461   5.163   6.096
   33    H    ALA   6           H        ALA   6  -8.610   3.078  -0.197
   34    HA   ALA   6           HA       ALA   6  -6.457   1.296   0.137
   35    HB1  ALA   6           HB1      ALA   6  -8.306   1.569  -2.233
   36    HB2  ALA   6           HB2      ALA   6  -8.609   0.592  -0.796
   37    HB3  ALA   6           HB3      ALA   6  -7.273   0.185  -1.874
   38    H    LYS   7           H        LYS   7  -7.086   3.857  -2.219
   39    HA   LYS   7           HA       LYS   7  -4.777   3.340  -3.781
   40    HB2  LYS   7           HB2      LYS   7  -6.728   4.611  -4.636
   41    HB3  LYS   7           HB3      LYS   7  -6.330   5.924  -3.537
   42    HG2  LYS   7           HG2      LYS   7  -5.560   6.414  -5.784
   43    HG3  LYS   7           HG3      LYS   7  -4.186   6.244  -4.662
   44    HD2  LYS   7           HD2      LYS   7  -3.903   3.892  -5.448
   45    HD3  LYS   7           HD3      LYS   7  -5.187   4.158  -6.631
   46    HE2  LYS   7           HE2      LYS   7  -3.000   4.407  -7.688
   47    HE3  LYS   7           HE3      LYS   7  -3.839   5.957  -7.650
   48    HZ1  LYS   7           HZ1      LYS   7  -1.705   5.092  -5.774
   49    HZ2  LYS   7           HZ2      LYS   7  -2.512   6.579  -5.718
   50    HZ3  LYS   7           HZ3      LYS   7  -1.527   6.201  -7.039
   51    H    TYR   8           H        TYR   8  -5.422   5.412  -1.012
   52    HA   TYR   8           HA       TYR   8  -2.921   6.724  -0.954
   53    HB2  TYR   8           HB2      TYR   8  -4.898   7.471   0.353
   54    HB3  TYR   8           HB3      TYR   8  -4.743   6.036   1.367
   55    HD1  TYR   8           HD1      TYR   8  -3.092   9.202   0.418
   56    HD2  TYR   8           HD2      TYR   8  -3.219   5.963   3.171
   57    HE1  TYR   8           HE1      TYR   8  -1.573  10.424   1.916
   58    HE2  TYR   8           HE2      TYR   8  -1.700   7.170   4.676
   59    HH   TYR   8           HH       TYR   8   0.014   8.952   4.513
   60    H    CYS   9           H        CYS   9  -4.091   3.726   0.509
   61    HA   CYS   9           HA       CYS   9  -1.757   3.070   1.935
   62    HB2  CYS   9           HB2      CYS   9  -3.961   1.944   2.233
   63    HB3  CYS   9           HB3      CYS   9  -3.754   1.163   0.660
   64    H    TYR  10           H        TYR  10  -2.803   2.205  -1.347
   65    HA   TYR  10           HA       TYR  10  -0.445   0.740  -1.970
   66    HB2  TYR  10           HB2      TYR  10  -2.715   1.844  -3.617
   67    HB3  TYR  10           HB3      TYR  10  -1.287   1.155  -4.395
   68    HD1  TYR  10           HD1      TYR  10  -0.652  -1.220  -3.827
   69    HD2  TYR  10           HD2      TYR  10  -4.438   0.438  -2.830
   70    HE1  TYR  10           HE1      TYR  10  -1.576  -3.475  -3.617
   71    HE2  TYR  10           HE2      TYR  10  -5.375  -1.820  -2.616
   72    HH   TYR  10           HH       TYR  10  -3.431  -4.615  -2.499
   73    H    GLU  11           H        GLU  11  -1.158   4.134  -2.002
   74    HA   GLU  11           HA       GLU  11   0.960   4.707  -3.866
   75    HB2  GLU  11           HB2      GLU  11   0.327   6.942  -3.780
   76    HB3  GLU  11           HB3      GLU  11  -1.202   6.098  -3.484
   77    HG2  GLU  11           HG2      GLU  11  -1.037   6.559  -1.131
   78    HG3  GLU  11           HG3      GLU  11   0.574   7.277  -1.359
   79    H    GLN  12           H        GLN  12   0.496   4.985  -0.341
   80    HA   GLN  12           HA       GLN  12   3.087   6.168  -0.018
   81    HB2  GLN  12           HB2      GLN  12   1.113   5.151   2.033
   82    HB3  GLN  12           HB3      GLN  12   2.580   6.035   2.411
   83    HG2  GLN  12           HG2      GLN  12   0.575   7.203   0.552
   84    HG3  GLN  12           HG3      GLN  12   0.310   7.259   2.284
   85   HE21  GLN  12          HE21      GLN  12   3.506   7.427   0.898
   86   HE22  GLN  12          HE22      GLN  12   3.787   9.088   1.286
   87    H    CYS  13           H        CYS  13   1.842   2.927   0.012
   88    HA   CYS  13           HA       CYS  13   3.592   1.735   1.826
   89    HB2  CYS  13           HB2      CYS  13   3.074  -0.386   0.719
   90    HB3  CYS  13           HB3      CYS  13   1.609   0.589   0.864
   91    H    ASN  14           H        ASN  14   3.993   2.088  -1.705
   92    HA   ASN  14           HA       ASN  14   6.651   1.034  -1.678
   93    HB2  ASN  14           HB2      ASN  14   6.786   1.959  -4.002
   94    HB3  ASN  14           HB3      ASN  14   5.407   0.904  -3.737
   95   HD21  ASN  14          HD21      ASN  14   3.289   1.849  -3.692
   96   HD22  ASN  14          HD22      ASN  14   3.016   3.443  -4.302
   97    H    VAL  15           H        VAL  15   5.300   4.211  -1.269
   98    HA   VAL  15           HA       VAL  15   7.673   5.685  -1.728
   99    HB   VAL  15           HB       VAL  15   5.190   6.396  -0.154
  100   HG11  VAL  15          HG11      VAL  15   7.448   8.209  -1.014
  101   HG12  VAL  15          HG12      VAL  15   7.117   7.701   0.642
  102   HG13  VAL  15          HG13      VAL  15   5.957   8.713  -0.219
  103   HG21  VAL  15          HG21      VAL  15   4.786   6.092  -2.533
  104   HG22  VAL  15          HG22      VAL  15   6.124   7.172  -2.920
  105   HG23  VAL  15          HG23      VAL  15   4.686   7.802  -2.118
  106    H    ASN  16           H        ASN  16   6.230   4.182   1.127
  107    HA   ASN  16           HA       ASN  16   8.168   5.273   2.938
  108    HB2  ASN  16           HB2      ASN  16   6.449   2.789   3.280
  109    HB3  ASN  16           HB3      ASN  16   7.292   3.666   4.560
  110   HD21  ASN  16          HD21      ASN  16   6.597   6.286   3.474
  111   HD22  ASN  16          HD22      ASN  16   4.916   6.505   3.833
  112    H    LYS  17           H        LYS  17   7.649   1.802   2.413
  113    HA   LYS  17           HA       LYS  17   9.830   1.214   0.878
  114    HB2  LYS  17           HB2      LYS  17  11.480   0.261   2.433
  115    HB3  LYS  17           HB3      LYS  17  11.286   2.001   2.672
  116    HG2  LYS  17           HG2      LYS  17   9.875  -0.028   4.393
  117    HG3  LYS  17           HG3      LYS  17  11.514   0.522   4.743
  118    HD2  LYS  17           HD2      LYS  17  10.722   2.836   4.903
  119    HD3  LYS  17           HD3      LYS  17   9.063   2.319   4.526
  120    HE2  LYS  17           HE2      LYS  17  10.692   1.445   6.924
  121    HE3  LYS  17           HE3      LYS  17   9.425   2.668   6.942
  122    HZ1  LYS  17           HZ1      LYS  17   7.820   1.001   6.319
  123    HZ2  LYS  17           HZ2      LYS  17   8.643   0.496   7.705
  124    HZ3  LYS  17           HZ3      LYS  17   9.024  -0.180   6.205
  125    H    VAL  18           H        VAL  18   8.079  -0.192   0.096
  126    HA   VAL  18           HA       VAL  18   8.229  -2.777   1.426
  127    HB   VAL  18           HB       VAL  18   6.009  -3.171   1.892
  128   HG11  VAL  18          HG11      VAL  18   6.014  -0.172   2.183
  129   HG12  VAL  18          HG12      VAL  18   6.689  -1.323   3.335
  130   HG13  VAL  18          HG13      VAL  18   4.955  -1.312   3.016
  131   HG21  VAL  18          HG21      VAL  18   5.231  -2.795  -0.374
  132   HG22  VAL  18          HG22      VAL  18   5.171  -1.054  -0.080
  133   HG23  VAL  18          HG23      VAL  18   4.098  -2.139   0.812
  134    HA   PRO  19           HA       PRO  19   7.970  -4.127  -2.842
  135    HB2  PRO  19           HB2      PRO  19   7.375  -6.743  -2.388
  136    HB3  PRO  19           HB3      PRO  19   9.009  -6.080  -2.190
  137    HG2  PRO  19           HG2      PRO  19   6.945  -6.720  -0.132
  138    HG3  PRO  19           HG3      PRO  19   8.705  -6.929  -0.067
  139    HD2  PRO  19           HD2      PRO  19   7.374  -4.850   1.130
  140    HD3  PRO  19           HD3      PRO  19   9.064  -4.760   0.597
  141    H    PHE  20           H        PHE  20   6.311  -4.781  -4.367
  142    HA   PHE  20           HA       PHE  20   3.803  -3.733  -3.808
  143    HB2  PHE  20           HB2      PHE  20   4.659  -4.093  -6.106
  144    HB3  PHE  20           HB3      PHE  20   4.400  -5.823  -5.913
  145    HD1  PHE  20           HD1      PHE  20   2.226  -6.778  -6.096
  146    HD2  PHE  20           HD2      PHE  20   2.737  -2.556  -6.176
  147    HE1  PHE  20           HE1      PHE  20  -0.097  -6.517  -6.858
  148    HE2  PHE  20           HE2      PHE  20   0.413  -2.286  -6.936
  149    HZ   PHE  20           HZ       PHE  20  -1.008  -4.268  -7.277
  150    H    ASP  21           H        ASP  21   4.847  -7.115  -3.668
  151    HA   ASP  21           HA       ASP  21   2.350  -8.274  -3.170
  152    HB2  ASP  21           HB2      ASP  21   3.628 -10.146  -2.140
  153    HB3  ASP  21           HB3      ASP  21   4.244  -9.674  -3.720
  154    H    GLN  22           H        GLN  22   4.739  -6.944  -0.883
  155    HA   GLN  22           HA       GLN  22   3.222  -7.511   1.433
  156    HB2  GLN  22           HB2      GLN  22   5.612  -6.944   1.541
  157    HB3  GLN  22           HB3      GLN  22   5.253  -5.313   0.982
  158    HG2  GLN  22           HG2      GLN  22   3.863  -4.977   3.003
  159    HG3  GLN  22           HG3      GLN  22   4.373  -6.574   3.568
  160   HE21  GLN  22          HE21      GLN  22   4.779  -3.933   4.759
  161   HE22  GLN  22          HE22      GLN  22   6.495  -3.761   4.946
  162    H    CYS  23           H        CYS  23   3.312  -4.779  -0.793
  163    HA   CYS  23           HA       CYS  23   1.610  -3.061   0.659
  164    HB2  CYS  23           HB2      CYS  23   2.945  -2.409  -1.413
  165    HB3  CYS  23           HB3      CYS  23   1.712  -3.239  -2.365
  166    H    TYR  24           H        TYR  24   0.925  -5.569  -1.745
  167    HA   TYR  24           HA       TYR  24  -1.869  -5.286  -1.729
  168    HB2  TYR  24           HB2      TYR  24  -0.424  -6.686  -3.346
  169    HB3  TYR  24           HB3      TYR  24  -0.469  -7.942  -2.096
  170    HD1  TYR  24           HD1      TYR  24  -2.634  -8.976  -1.466
  171    HD2  TYR  24           HD2      TYR  24  -2.316  -6.241  -4.704
  172    HE1  TYR  24           HE1      TYR  24  -4.820  -9.717  -2.299
  173    HE2  TYR  24           HE2      TYR  24  -4.503  -6.972  -5.547
  174    HH   TYR  24           HH       TYR  24  -6.678  -8.713  -3.727
  175    H    GLN  25           H        GLN  25   0.325  -6.991   0.422
  176    HA   GLN  25           HA       GLN  25  -1.652  -8.597   1.692
  177    HB2  GLN  25           HB2      GLN  25   1.120  -7.728   2.544
  178    HB3  GLN  25           HB3      GLN  25   0.107  -8.731   3.566
  179    HG2  GLN  25           HG2      GLN  25   0.110 -10.508   1.914
  180    HG3  GLN  25           HG3      GLN  25   0.993  -9.500   0.772
  181   HE21  GLN  25          HE21      GLN  25   3.165  -9.198   1.031
  182   HE22  GLN  25          HE22      GLN  25   4.119 -10.099   2.158
  183    H    MET  26           H        MET  26  -0.301  -5.414   2.392
  184    HA   MET  26           HA       MET  26  -1.709  -5.233   4.899
  185    HB2  MET  26           HB2      MET  26   0.431  -4.171   4.783
  186    HB3  MET  26           HB3      MET  26  -0.015  -3.307   3.321
  187    HG2  MET  26           HG2      MET  26  -1.639  -1.981   4.610
  188    HG3  MET  26           HG3      MET  26  -1.142  -2.826   6.077
  189    HE1  MET  26           HE1      MET  26   1.354  -1.749   3.170
  190    HE2  MET  26           HE2      MET  26   1.715  -0.099   3.665
  191    HE3  MET  26           HE3      MET  26   0.088  -0.521   3.133
  192    H    CYS  27           H        CYS  27  -2.093  -3.890   1.646
  193    HA   CYS  27           HA       CYS  27  -4.227  -2.154   2.532
  194    HB2  CYS  27           HB2      CYS  27  -3.328  -2.692  -0.316
  195    HB3  CYS  27           HB3      CYS  27  -4.270  -1.309   0.281
  196    H    SER  28           H        SER  28  -4.098  -5.401   1.363
  197    HA   SER  28           HA       SER  28  -6.509  -5.427  -0.065
  198    HB2  SER  28           HB2      SER  28  -6.486  -7.950   0.439
  199    HB3  SER  28           HB3      SER  28  -5.161  -7.263  -0.510
  200    HG   SER  28           HG       SER  28  -3.804  -7.574   1.111
  201    HA   PRO  29           HA       PRO  29  -8.791  -6.920   3.993
  202    HB2  PRO  29           HB2      PRO  29  -7.079  -5.558   6.012
  203    HB3  PRO  29           HB3      PRO  29  -7.942  -7.105   6.126
  204    HG2  PRO  29           HG2      PRO  29  -5.310  -7.104   5.799
  205    HG3  PRO  29           HG3      PRO  29  -6.323  -8.252   4.886
  206    HD2  PRO  29           HD2      PRO  29  -5.076  -5.669   3.954
  207    HD3  PRO  29           HD3      PRO  29  -5.173  -7.242   3.121
  208    H    LEU  30           H        LEU  30  -7.182  -3.909   3.484
  209    HA   LEU  30           HA       LEU  30  -9.109  -2.218   4.758
  210    HB2  LEU  30           HB2      LEU  30  -6.669  -1.658   4.213
  211    HB3  LEU  30           HB3      LEU  30  -7.194  -1.484   2.529
  212    HG   LEU  30           HG       LEU  30  -8.152   0.212   4.862
  213   HD11  LEU  30          HD11      LEU  30  -6.831   1.982   3.765
  214   HD12  LEU  30          HD12      LEU  30  -6.222   0.787   2.618
  215   HD13  LEU  30          HD13      LEU  30  -5.830   0.644   4.332
  216   HD21  LEU  30          HD21      LEU  30  -9.825  -0.030   3.044
  217   HD22  LEU  30          HD22      LEU  30  -8.626   0.574   1.896
  218   HD23  LEU  30          HD23      LEU  30  -9.207   1.617   3.195
  219    H    GLU  31           H        GLU  31  -8.328  -2.989   1.404
  220    HA   GLU  31           HA       GLU  31 -10.549  -1.620   0.283
  221    HB2  GLU  31           HB2      GLU  31  -8.341  -2.267  -0.854
  222    HB3  GLU  31           HB3      GLU  31  -9.029  -3.888  -1.014
  223    HG2  GLU  31           HG2      GLU  31 -10.291  -1.398  -2.175
  224    HG3  GLU  31           HG3      GLU  31  -9.193  -2.462  -3.060
  225    H    ARG  32           H        ARG  32  -9.945  -5.008   1.095
  226    HA   ARG  32           HA       ARG  32 -12.825  -5.493   0.885
  227    HB2  ARG  32           HB2      ARG  32 -11.537  -6.208  -1.232
  228    HB3  ARG  32           HB3      ARG  32 -10.781  -7.438  -0.214
  229    HG2  ARG  32           HG2      ARG  32 -12.588  -8.473  -1.402
  230    HG3  ARG  32           HG3      ARG  32 -13.052  -8.342   0.294
  231    HD2  ARG  32           HD2      ARG  32 -14.735  -7.709  -1.605
  232    HD3  ARG  32           HD3      ARG  32 -14.670  -6.758  -0.129
  233    HE   ARG  32           HE       ARG  32 -12.936  -5.463  -1.763
  234   HH11  ARG  32          HH11      ARG  32 -16.226  -6.568  -2.209
  235   HH12  ARG  32          HH12      ARG  32 -16.655  -5.261  -3.265
  236   HH21  ARG  32          HH21      ARG  32 -13.496  -3.725  -3.130
  237   HH22  ARG  32          HH22      ARG  32 -15.105  -3.652  -3.797
  238    H    SER  33           H        SER  33 -13.218  -5.842   2.997
  239    HA   SER  33           HA       SER  33 -11.526  -7.783   4.416
  240    HB2  SER  33           HB2      SER  33 -12.842  -6.796   6.454
  241    HB3  SER  33           HB3      SER  33 -11.548  -5.837   5.733
  242    HG   SER  33           HG       SER  33 -14.107  -5.194   6.016
  Start of MODEL   26
    1    HA   ALA   1           HA       ALA   1 -15.480   0.498   1.341
    2    HB1  ALA   1           HB1      ALA   1 -15.093   0.706  -1.051
    3    HB2  ALA   1           HB2      ALA   1 -16.608   1.588  -1.234
    4    HB3  ALA   1           HB3      ALA   1 -16.627  -0.104  -0.739
    5    H    SER   2           H        SER   2 -13.679   1.820  -0.002
    6    HA   SER   2           HA       SER   2 -13.841   4.674   0.230
    7    HB2  SER   2           HB2      SER   2 -13.553   3.906   2.659
    8    HB3  SER   2           HB3      SER   2 -11.958   3.322   2.186
    9    HG   SER   2           HG       SER   2 -12.245   5.585   3.073
   10    HA   PRO   3           HA       PRO   3 -10.884   2.752  -2.863
   11    HB2  PRO   3           HB2      PRO   3 -11.844   5.221  -4.240
   12    HB3  PRO   3           HB3      PRO   3 -11.553   3.595  -4.904
   13    HG2  PRO   3           HG2      PRO   3 -14.027   4.399  -4.465
   14    HG3  PRO   3           HG3      PRO   3 -13.535   2.751  -4.022
   15    HD2  PRO   3           HD2      PRO   3 -13.941   5.137  -2.221
   16    HD3  PRO   3           HD3      PRO   3 -14.365   3.416  -1.956
   17    H    GLN   4           H        GLN   4 -11.239   5.997  -1.559
   18    HA   GLN   4           HA       GLN   4  -8.769   6.958  -2.622
   19    HB2  GLN   4           HB2      GLN   4 -10.515   8.066  -0.425
   20    HB3  GLN   4           HB3      GLN   4  -9.095   8.879  -1.069
   21    HG2  GLN   4           HG2      GLN   4 -11.581   8.172  -2.632
   22    HG3  GLN   4           HG3      GLN   4 -11.147   9.777  -2.050
   23   HE21  GLN   4          HE21      GLN   4  -8.310   9.440  -2.679
   24   HE22  GLN   4          HE22      GLN   4  -8.185   9.543  -4.406
   25    H    GLN   5           H        GLN   5  -9.765   5.683   0.523
   26    HA   GLN   5           HA       GLN   5  -7.245   6.157   1.742
   27    HB2  GLN   5           HB2      GLN   5  -8.059   5.119   3.643
   28    HB3  GLN   5           HB3      GLN   5  -9.537   5.682   2.885
   29    HG2  GLN   5           HG2      GLN   5  -9.937   3.453   1.986
   30    HG3  GLN   5           HG3      GLN   5  -8.441   2.884   2.719
   31   HE21  GLN   5          HE21      GLN   5  -8.885   4.537   5.133
   32   HE22  GLN   5          HE22      GLN   5 -10.111   3.713   6.035
   33    H    ALA   6           H        ALA   6  -8.650   3.463   0.021
   34    HA   ALA   6           HA       ALA   6  -6.538   1.632   0.485
   35    HB1  ALA   6           HB1      ALA   6  -8.488   1.741  -1.815
   36    HB2  ALA   6           HB2      ALA   6  -8.720   0.874  -0.297
   37    HB3  ALA   6           HB3      ALA   6  -7.446   0.378  -1.414
   38    H    LYS   7           H        LYS   7  -7.178   4.005  -2.056
   39    HA   LYS   7           HA       LYS   7  -4.971   3.348  -3.689
   40    HB2  LYS   7           HB2      LYS   7  -6.975   4.773  -4.319
   41    HB3  LYS   7           HB3      LYS   7  -6.230   6.081  -3.416
   42    HG2  LYS   7           HG2      LYS   7  -5.764   6.366  -5.749
   43    HG3  LYS   7           HG3      LYS   7  -4.256   5.954  -4.892
   44    HD2  LYS   7           HD2      LYS   7  -4.398   4.690  -6.992
   45    HD3  LYS   7           HD3      LYS   7  -4.518   3.595  -5.613
   46    HE2  LYS   7           HE2      LYS   7  -6.958   3.520  -5.877
   47    HE3  LYS   7           HE3      LYS   7  -6.843   4.644  -7.230
   48    HZ1  LYS   7           HZ1      LYS   7  -5.728   1.900  -7.123
   49    HZ2  LYS   7           HZ2      LYS   7  -5.495   2.979  -8.401
   50    HZ3  LYS   7           HZ3      LYS   7  -7.047   2.416  -8.045
   51    H    TYR   8           H        TYR   8  -5.367   5.477  -0.927
   52    HA   TYR   8           HA       TYR   8  -2.823   6.699  -1.001
   53    HB2  TYR   8           HB2      TYR   8  -4.741   7.520   0.364
   54    HB3  TYR   8           HB3      TYR   8  -4.547   6.117   1.416
   55    HD1  TYR   8           HD1      TYR   8  -2.976   9.259   0.303
   56    HD2  TYR   8           HD2      TYR   8  -2.876   6.062   3.105
   57    HE1  TYR   8           HE1      TYR   8  -1.376  10.521   1.678
   58    HE2  TYR   8           HE2      TYR   8  -1.273   7.309   4.486
   59    HH   TYR   8           HH       TYR   8  -0.627  10.606   4.016
   60    H    CYS   9           H        CYS   9  -4.044   3.757   0.492
   61    HA   CYS   9           HA       CYS   9  -1.756   3.046   1.958
   62    HB2  CYS   9           HB2      CYS   9  -4.016   2.009   2.231
   63    HB3  CYS   9           HB3      CYS   9  -3.786   1.170   0.691
   64    H    TYR  10           H        TYR  10  -2.778   2.104  -1.321
   65    HA   TYR  10           HA       TYR  10  -0.442   0.568  -1.865
   66    HB2  TYR  10           HB2      TYR  10  -2.574   1.762  -3.646
   67    HB3  TYR  10           HB3      TYR  10  -1.195   0.871  -4.294
   68    HD1  TYR  10           HD1      TYR  10  -0.897  -1.525  -3.660
   69    HD2  TYR  10           HD2      TYR  10  -4.455   0.628  -2.760
   70    HE1  TYR  10           HE1      TYR  10  -2.104  -3.643  -3.390
   71    HE2  TYR  10           HE2      TYR  10  -5.667  -1.481  -2.482
   72    HH   TYR  10           HH       TYR  10  -5.451  -3.841  -3.307
   73    H    GLU  11           H        GLU  11  -1.147   3.948  -2.014
   74    HA   GLU  11           HA       GLU  11   0.918   4.642  -3.845
   75    HB2  GLU  11           HB2      GLU  11  -1.108   6.077  -3.231
   76    HB3  GLU  11           HB3      GLU  11  -0.234   6.452  -1.727
   77    HG2  GLU  11           HG2      GLU  11   0.088   8.217  -3.342
   78    HG3  GLU  11           HG3      GLU  11   1.620   7.361  -3.043
   79    H    GLN  12           H        GLN  12   0.621   5.097  -0.326
   80    HA   GLN  12           HA       GLN  12   3.306   6.039  -0.146
   81    HB2  GLN  12           HB2      GLN  12   1.282   5.359   1.993
   82    HB3  GLN  12           HB3      GLN  12   2.825   6.139   2.298
   83    HG2  GLN  12           HG2      GLN  12   0.952   7.334   0.322
   84    HG3  GLN  12           HG3      GLN  12   0.649   7.538   2.041
   85   HE21  GLN  12          HE21      GLN  12   3.889   7.306   0.794
   86   HE22  GLN  12          HE22      GLN  12   4.311   8.966   1.048
   87    H    CYS  13           H        CYS  13   1.930   2.905  -0.032
   88    HA   CYS  13           HA       CYS  13   3.505   1.678   1.925
   89    HB2  CYS  13           HB2      CYS  13   2.917  -0.447   0.884
   90    HB3  CYS  13           HB3      CYS  13   1.511   0.623   0.818
   91    H    ASN  14           H        ASN  14   4.107   1.690  -1.613
   92    HA   ASN  14           HA       ASN  14   6.772   0.691  -1.226
   93    HB2  ASN  14           HB2      ASN  14   7.041   0.976  -3.649
   94    HB3  ASN  14           HB3      ASN  14   5.531   0.165  -3.274
   95   HD21  ASN  14          HD21      ASN  14   6.960   3.169  -4.442
   96   HD22  ASN  14          HD22      ASN  14   5.490   3.803  -5.097
   97    H    VAL  15           H        VAL  15   5.348   3.855  -1.502
   98    HA   VAL  15           HA       VAL  15   7.652   5.321  -2.159
   99    HB   VAL  15           HB       VAL  15   5.231   6.164  -0.555
  100   HG11  VAL  15          HG11      VAL  15   7.122   7.594   0.013
  101   HG12  VAL  15          HG12      VAL  15   5.954   8.479  -0.970
  102   HG13  VAL  15          HG13      VAL  15   7.443   7.875  -1.698
  103   HG21  VAL  15          HG21      VAL  15   4.567   7.307  -2.621
  104   HG22  VAL  15          HG22      VAL  15   4.744   5.571  -2.879
  105   HG23  VAL  15          HG23      VAL  15   6.002   6.677  -3.430
  106    H    ASN  16           H        ASN  16   6.308   4.334   0.980
  107    HA   ASN  16           HA       ASN  16   8.398   5.593   2.476
  108    HB2  ASN  16           HB2      ASN  16   6.482   3.367   3.258
  109    HB3  ASN  16           HB3      ASN  16   7.544   4.236   4.376
  110   HD21  ASN  16          HD21      ASN  16   4.639   4.114   4.457
  111   HD22  ASN  16          HD22      ASN  16   4.087   5.743   4.299
  112    H    LYS  17           H        LYS  17   7.723   2.088   2.521
  113    HA   LYS  17           HA       LYS  17   9.749   1.303   0.847
  114    HB2  LYS  17           HB2      LYS  17  11.516   0.456   2.285
  115    HB3  LYS  17           HB3      LYS  17  11.332   2.199   2.497
  116    HG2  LYS  17           HG2      LYS  17  10.193   0.136   4.388
  117    HG3  LYS  17           HG3      LYS  17  11.778   0.885   4.587
  118    HD2  LYS  17           HD2      LYS  17  10.689   3.113   4.661
  119    HD3  LYS  17           HD3      LYS  17   9.098   2.327   4.578
  120    HE2  LYS  17           HE2      LYS  17   9.631   2.849   6.884
  121    HE3  LYS  17           HE3      LYS  17   9.660   1.101   6.664
  122    HZ1  LYS  17           HZ1      LYS  17  12.061   2.850   6.677
  123    HZ2  LYS  17           HZ2      LYS  17  12.051   1.161   6.567
  124    HZ3  LYS  17           HZ3      LYS  17  11.534   1.919   7.986
  125    H    VAL  18           H        VAL  18   7.831  -0.017   0.356
  126    HA   VAL  18           HA       VAL  18   8.234  -2.606   1.614
  127    HB   VAL  18           HB       VAL  18   6.105  -3.094   2.322
  128   HG11  VAL  18          HG11      VAL  18   6.821  -1.222   3.706
  129   HG12  VAL  18          HG12      VAL  18   5.067  -1.272   3.541
  130   HG13  VAL  18          HG13      VAL  18   6.005  -0.094   2.621
  131   HG21  VAL  18          HG21      VAL  18   4.039  -2.149   1.457
  132   HG22  VAL  18          HG22      VAL  18   5.065  -2.763   0.157
  133   HG23  VAL  18          HG23      VAL  18   4.963  -1.028   0.454
  134    HA   PRO  19           HA       PRO  19   7.845  -3.842  -2.687
  135    HB2  PRO  19           HB2      PRO  19   6.992  -6.455  -1.607
  136    HB3  PRO  19           HB3      PRO  19   8.384  -6.067  -2.635
  137    HG2  PRO  19           HG2      PRO  19   8.700  -6.729  -0.055
  138    HG3  PRO  19           HG3      PRO  19   9.733  -5.529  -0.854
  139    HD2  PRO  19           HD2      PRO  19   7.431  -5.084   1.022
  140    HD3  PRO  19           HD3      PRO  19   8.991  -4.234   0.902
  141    H    PHE  20           H        PHE  20   6.157  -4.341  -4.183
  142    HA   PHE  20           HA       PHE  20   3.609  -3.416  -3.487
  143    HB2  PHE  20           HB2      PHE  20   4.518  -3.461  -5.815
  144    HB3  PHE  20           HB3      PHE  20   4.260  -5.202  -5.843
  145    HD1  PHE  20           HD1      PHE  20   2.047  -6.136  -6.032
  146    HD2  PHE  20           HD2      PHE  20   2.637  -1.926  -5.842
  147    HE1  PHE  20           HE1      PHE  20  -0.270  -5.781  -6.784
  148    HE2  PHE  20           HE2      PHE  20   0.320  -1.562  -6.590
  149    HZ   PHE  20           HZ       PHE  20  -1.136  -3.493  -7.059
  150    H    ASP  21           H        ASP  21   4.823  -6.740  -3.713
  151    HA   ASP  21           HA       ASP  21   2.353  -8.033  -3.332
  152    HB2  ASP  21           HB2      ASP  21   3.606  -9.999  -2.719
  153    HB3  ASP  21           HB3      ASP  21   4.445  -9.199  -4.042
  154    H    GLN  22           H        GLN  22   4.588  -6.553  -1.089
  155    HA   GLN  22           HA       GLN  22   3.234  -7.450   1.266
  156    HB2  GLN  22           HB2      GLN  22   5.603  -6.764   1.287
  157    HB3  GLN  22           HB3      GLN  22   5.120  -5.115   0.903
  158    HG2  GLN  22           HG2      GLN  22   5.542  -5.236   3.233
  159    HG3  GLN  22           HG3      GLN  22   3.793  -5.086   3.006
  160   HE21  GLN  22          HE21      GLN  22   6.401  -7.188   3.951
  161   HE22  GLN  22          HE22      GLN  22   5.414  -8.393   4.709
  162    H    CYS  23           H        CYS  23   3.152  -4.515  -0.756
  163    HA   CYS  23           HA       CYS  23   1.289  -3.029   0.683
  164    HB2  CYS  23           HB2      CYS  23   1.362  -3.299  -2.343
  165    HB3  CYS  23           HB3      CYS  23   0.629  -1.988  -1.432
  166    H    TYR  24           H        TYR  24   0.816  -5.660  -1.607
  167    HA   TYR  24           HA       TYR  24  -1.966  -5.614  -1.754
  168    HB2  TYR  24           HB2      TYR  24  -0.368  -6.945  -3.212
  169    HB3  TYR  24           HB3      TYR  24  -0.250  -8.109  -1.882
  170    HD1  TYR  24           HD1      TYR  24  -2.247  -6.903  -4.644
  171    HD2  TYR  24           HD2      TYR  24  -2.259  -9.399  -1.207
  172    HE1  TYR  24           HE1      TYR  24  -4.251  -8.048  -5.489
  173    HE2  TYR  24           HE2      TYR  24  -4.258 -10.548  -2.033
  174    HH   TYR  24           HH       TYR  24  -6.135 -10.112  -3.546
  175    H    GLN  25           H        GLN  25   0.180  -7.109   0.625
  176    HA   GLN  25           HA       GLN  25  -1.912  -8.715   1.756
  177    HB2  GLN  25           HB2      GLN  25   0.921  -8.126   2.597
  178    HB3  GLN  25           HB3      GLN  25  -0.175  -9.030   3.636
  179    HG2  GLN  25           HG2      GLN  25   0.685  -9.814   0.840
  180    HG3  GLN  25           HG3      GLN  25   1.179 -10.573   2.353
  181   HE21  GLN  25          HE21      GLN  25  -0.289 -11.862   3.469
  182   HE22  GLN  25          HE22      GLN  25  -1.726 -12.471   2.724
  183    H    MET  26           H        MET  26  -0.675  -5.528   2.344
  184    HA   MET  26           HA       MET  26  -2.167  -5.328   4.827
  185    HB2  MET  26           HB2      MET  26  -0.051  -4.252   4.897
  186    HB3  MET  26           HB3      MET  26  -0.328  -3.459   3.357
  187    HG2  MET  26           HG2      MET  26  -2.046  -2.050   4.381
  188    HG3  MET  26           HG3      MET  26  -1.778  -2.850   5.930
  189    HE1  MET  26           HE1      MET  26   1.540  -0.368   3.865
  190    HE2  MET  26           HE2      MET  26   0.025  -0.802   3.071
  191    HE3  MET  26           HE3      MET  26   1.211  -2.049   3.456
  192    H    CYS  27           H        CYS  27  -2.223  -3.885   1.576
  193    HA   CYS  27           HA       CYS  27  -4.428  -2.179   2.328
  194    HB2  CYS  27           HB2      CYS  27  -3.222  -2.509  -0.429
  195    HB3  CYS  27           HB3      CYS  27  -4.170  -1.144   0.193
  196    H    SER  28           H        SER  28  -4.077  -5.172   0.447
  197    HA   SER  28           HA       SER  28  -6.568  -4.959  -0.848
  198    HB2  SER  28           HB2      SER  28  -4.922  -7.412  -0.255
  199    HB3  SER  28           HB3      SER  28  -6.402  -7.426  -1.223
  200    HG   SER  28           HG       SER  28  -4.637  -5.475  -1.986
  201    HA   PRO  29           HA       PRO  29  -8.384  -7.616   2.917
  202    HB2  PRO  29           HB2      PRO  29  -6.442  -6.472   4.887
  203    HB3  PRO  29           HB3      PRO  29  -7.299  -8.027   4.932
  204    HG2  PRO  29           HG2      PRO  29  -4.755  -7.991   4.229
  205    HG3  PRO  29           HG3      PRO  29  -5.909  -8.986   3.303
  206    HD2  PRO  29           HD2      PRO  29  -4.698  -6.327   2.590
  207    HD3  PRO  29           HD3      PRO  29  -5.034  -7.733   1.554
  208    H    LEU  30           H        LEU  30  -6.733  -4.549   3.545
  209    HA   LEU  30           HA       LEU  30  -8.642  -3.164   4.992
  210    HB2  LEU  30           HB2      LEU  30  -6.279  -2.445   4.289
  211    HB3  LEU  30           HB3      LEU  30  -6.998  -1.981   2.738
  212    HG   LEU  30           HG       LEU  30  -7.545  -0.736   5.453
  213   HD11  LEU  30          HD11      LEU  30  -6.223   0.317   2.950
  214   HD12  LEU  30          HD12      LEU  30  -5.410  -0.116   4.458
  215   HD13  LEU  30          HD13      LEU  30  -6.533   1.245   4.419
  216   HD21  LEU  30          HD21      LEU  30  -9.596  -0.757   4.087
  217   HD22  LEU  30          HD22      LEU  30  -8.716   0.022   2.770
  218   HD23  LEU  30          HD23      LEU  30  -8.955   0.874   4.297
  219    H    GLU  31           H        GLU  31  -8.228  -3.285   1.494
  220    HA   GLU  31           HA       GLU  31 -10.467  -1.642   0.918
  221    HB2  GLU  31           HB2      GLU  31  -8.487  -1.896  -0.569
  222    HB3  GLU  31           HB3      GLU  31  -9.005  -3.549  -0.925
  223    HG2  GLU  31           HG2      GLU  31 -11.152  -2.570  -1.800
  224    HG3  GLU  31           HG3      GLU  31 -10.392  -0.978  -1.670
  225    H    ARG  32           H        ARG  32 -10.040  -5.143   1.076
  226    HA   ARG  32           HA       ARG  32 -12.928  -5.414   0.536
  227    HB2  ARG  32           HB2      ARG  32 -10.724  -7.270  -0.415
  228    HB3  ARG  32           HB3      ARG  32 -12.446  -7.605  -0.574
  229    HG2  ARG  32           HG2      ARG  32 -11.099  -5.191  -1.821
  230    HG3  ARG  32           HG3      ARG  32 -11.260  -6.732  -2.656
  231    HD2  ARG  32           HD2      ARG  32 -12.996  -5.237  -3.377
  232    HD3  ARG  32           HD3      ARG  32 -13.731  -6.536  -2.451
  233    HE   ARG  32           HE       ARG  32 -13.180  -4.279  -0.801
  234   HH11  ARG  32          HH11      ARG  32 -15.395  -5.471  -3.231
  235   HH12  ARG  32          HH12      ARG  32 -16.703  -4.451  -2.728
  236   HH21  ARG  32          HH21      ARG  32 -14.908  -2.938  -0.126
  237   HH22  ARG  32          HH22      ARG  32 -16.429  -3.020  -0.955
  238    H    SER  33           H        SER  33 -13.093  -5.343   2.872
  239    HA   SER  33           HA       SER  33 -12.922  -8.080   3.909
  240    HB2  SER  33           HB2      SER  33 -12.560  -6.870   6.230
  241    HB3  SER  33           HB3      SER  33 -11.177  -7.189   5.180
  242    HG   SER  33           HG       SER  33 -10.996  -5.119   4.732
  Start of MODEL   27
    1    HA   ALA   1           HA       ALA   1 -17.184   1.377  -0.549
    2    HB1  ALA   1           HB1      ALA   1 -15.828   0.551   1.303
    3    HB2  ALA   1           HB2      ALA   1 -14.532   0.139   0.180
    4    HB3  ALA   1           HB3      ALA   1 -16.077  -0.708   0.093
    5    H    SER   2           H        SER   2 -13.658   1.894  -0.844
    6    HA   SER   2           HA       SER   2 -14.030   4.762  -0.591
    7    HB2  SER   2           HB2      SER   2 -12.395   4.840   1.371
    8    HB3  SER   2           HB3      SER   2 -13.987   4.186   1.767
    9    HG   SER   2           HG       SER   2 -12.092   2.342   0.925
   10    HA   PRO   3           HA       PRO   3 -10.761   3.146  -3.556
   11    HB2  PRO   3           HB2      PRO   3 -11.556   5.788  -4.712
   12    HB3  PRO   3           HB3      PRO   3 -11.183   4.257  -5.540
   13    HG2  PRO   3           HG2      PRO   3 -13.694   4.991  -5.270
   14    HG3  PRO   3           HG3      PRO   3 -13.231   3.305  -4.953
   15    HD2  PRO   3           HD2      PRO   3 -13.851   5.486  -2.965
   16    HD3  PRO   3           HD3      PRO   3 -14.272   3.744  -2.924
   17    H    GLN   4           H        GLN   4 -11.146   6.365  -2.130
   18    HA   GLN   4           HA       GLN   4  -8.516   7.245  -2.728
   19    HB2  GLN   4           HB2      GLN   4 -10.458   8.186  -0.614
   20    HB3  GLN   4           HB3      GLN   4  -8.929   8.977  -0.963
   21    HG2  GLN   4           HG2      GLN   4  -9.705   9.392  -3.282
   22    HG3  GLN   4           HG3      GLN   4 -11.259   8.677  -2.861
   23   HE21  GLN   4          HE21      GLN   4  -9.422  10.633  -0.636
   24   HE22  GLN   4          HE22      GLN   4 -10.493  11.991  -0.640
   25    H    GLN   5           H        GLN   5  -9.922   5.568   0.001
   26    HA   GLN   5           HA       GLN   5  -7.631   5.780   1.669
   27    HB2  GLN   5           HB2      GLN   5  -9.969   3.873   1.722
   28    HB3  GLN   5           HB3      GLN   5  -8.682   3.847   2.917
   29    HG2  GLN   5           HG2      GLN   5 -10.165   6.391   2.400
   30    HG3  GLN   5           HG3      GLN   5 -10.882   5.141   3.413
   31   HE21  GLN   5          HE21      GLN   5  -7.426   5.585   3.334
   32   HE22  GLN   5          HE22      GLN   5  -7.285   6.278   4.909
   33    H    ALA   6           H        ALA   6  -8.834   3.276  -0.502
   34    HA   ALA   6           HA       ALA   6  -6.738   1.443  -0.074
   35    HB1  ALA   6           HB1      ALA   6  -8.840   0.815  -1.178
   36    HB2  ALA   6           HB2      ALA   6  -7.434   0.400  -2.161
   37    HB3  ALA   6           HB3      ALA   6  -8.400   1.814  -2.564
   38    H    LYS   7           H        LYS   7  -7.153   4.074  -2.392
   39    HA   LYS   7           HA       LYS   7  -4.789   3.533  -3.854
   40    HB2  LYS   7           HB2      LYS   7  -6.832   4.993  -4.495
   41    HB3  LYS   7           HB3      LYS   7  -6.022   6.266  -3.597
   42    HG2  LYS   7           HG2      LYS   7  -5.554   6.484  -5.948
   43    HG3  LYS   7           HG3      LYS   7  -4.061   6.053  -5.076
   44    HD2  LYS   7           HD2      LYS   7  -4.216   3.768  -5.806
   45    HD3  LYS   7           HD3      LYS   7  -5.843   4.015  -6.444
   46    HE2  LYS   7           HE2      LYS   7  -4.218   3.946  -8.267
   47    HE3  LYS   7           HE3      LYS   7  -4.929   5.553  -8.136
   48    HZ1  LYS   7           HZ1      LYS   7  -2.540   5.636  -8.481
   49    HZ2  LYS   7           HZ2      LYS   7  -2.282   4.757  -7.060
   50    HZ3  LYS   7           HZ3      LYS   7  -2.956   6.306  -6.986
   51    H    TYR   8           H        TYR   8  -5.495   5.445  -0.996
   52    HA   TYR   8           HA       TYR   8  -2.989   6.755  -0.836
   53    HB2  TYR   8           HB2      TYR   8  -5.065   7.478   0.376
   54    HB3  TYR   8           HB3      TYR   8  -4.857   6.089   1.445
   55    HD1  TYR   8           HD1      TYR   8  -3.193   9.199   0.297
   56    HD2  TYR   8           HD2      TYR   8  -3.477   6.232   3.330
   57    HE1  TYR   8           HE1      TYR   8  -1.725  10.543   1.739
   58    HE2  TYR   8           HE2      TYR   8  -2.013   7.567   4.784
   59    HH   TYR   8           HH       TYR   8  -0.255   9.319   4.512
   60    H    CYS   9           H        CYS   9  -4.276   3.775   0.560
   61    HA   CYS   9           HA       CYS   9  -2.040   3.081   2.116
   62    HB2  CYS   9           HB2      CYS   9  -4.288   1.999   2.297
   63    HB3  CYS   9           HB3      CYS   9  -3.991   1.180   0.757
   64    H    TYR  10           H        TYR  10  -2.912   2.200  -1.214
   65    HA   TYR  10           HA       TYR  10  -0.537   0.695  -1.692
   66    HB2  TYR  10           HB2      TYR  10  -2.686   1.825  -3.490
   67    HB3  TYR  10           HB3      TYR  10  -1.242   1.055  -4.156
   68    HD1  TYR  10           HD1      TYR  10  -4.480   0.512  -2.645
   69    HD2  TYR  10           HD2      TYR  10  -0.763  -1.319  -3.588
   70    HE1  TYR  10           HE1      TYR  10  -5.512  -1.698  -2.395
   71    HE2  TYR  10           HE2      TYR  10  -1.780  -3.526  -3.342
   72    HH   TYR  10           HH       TYR  10  -3.682  -4.572  -2.214
   73    H    GLU  11           H        GLU  11  -1.222   4.049  -1.719
   74    HA   GLU  11           HA       GLU  11   0.869   4.839  -3.493
   75    HB2  GLU  11           HB2      GLU  11  -1.125   6.262  -2.910
   76    HB3  GLU  11           HB3      GLU  11  -0.420   6.456  -1.289
   77    HG2  GLU  11           HG2      GLU  11   0.034   8.390  -2.678
   78    HG3  GLU  11           HG3      GLU  11   1.532   7.532  -2.248
   79    H    GLN  12           H        GLN  12   0.504   5.119   0.030
   80    HA   GLN  12           HA       GLN  12   3.147   6.117   0.314
   81    HB2  GLN  12           HB2      GLN  12   1.219   5.182   2.446
   82    HB3  GLN  12           HB3      GLN  12   2.670   6.126   2.714
   83    HG2  GLN  12           HG2      GLN  12   0.590   7.147   0.853
   84    HG3  GLN  12           HG3      GLN  12   0.352   7.277   2.587
   85   HE21  GLN  12          HE21      GLN  12   3.526   7.456   1.185
   86   HE22  GLN  12          HE22      GLN  12   3.765   9.151   1.447
   87    H    CYS  13           H        CYS  13   1.909   2.931   0.191
   88    HA   CYS  13           HA       CYS  13   3.628   1.663   2.030
   89    HB2  CYS  13           HB2      CYS  13   3.045  -0.424   0.885
   90    HB3  CYS  13           HB3      CYS  13   1.601   0.579   1.063
   91    H    ASN  14           H        ASN  14   3.948   1.855  -1.541
   92    HA   ASN  14           HA       ASN  14   6.656   0.932  -1.451
   93    HB2  ASN  14           HB2      ASN  14   6.709   1.631  -3.871
   94    HB3  ASN  14           HB3      ASN  14   5.427   0.505  -3.452
   95   HD21  ASN  14          HD21      ASN  14   6.104   3.898  -4.244
   96   HD22  ASN  14          HD22      ASN  14   4.476   4.275  -4.696
   97    H    VAL  15           H        VAL  15   5.151   4.070  -1.335
   98    HA   VAL  15           HA       VAL  15   7.390   5.633  -1.977
   99    HB   VAL  15           HB       VAL  15   5.026   6.271  -0.206
  100   HG11  VAL  15          HG11      VAL  15   6.894   7.678   0.464
  101   HG12  VAL  15          HG12      VAL  15   5.701   8.634  -0.414
  102   HG13  VAL  15          HG13      VAL  15   7.185   8.126  -1.215
  103   HG21  VAL  15          HG21      VAL  15   5.704   7.079  -3.038
  104   HG22  VAL  15          HG22      VAL  15   4.299   7.630  -2.125
  105   HG23  VAL  15          HG23      VAL  15   4.458   5.927  -2.553
  106    H    ASN  16           H        ASN  16   6.351   4.150   1.073
  107    HA   ASN  16           HA       ASN  16   8.521   5.348   2.547
  108    HB2  ASN  16           HB2      ASN  16   6.770   2.959   3.240
  109    HB3  ASN  16           HB3      ASN  16   7.896   3.757   4.343
  110   HD21  ASN  16          HD21      ASN  16   7.231   6.410   3.282
  111   HD22  ASN  16          HD22      ASN  16   5.684   6.797   3.952
  112    H    LYS  17           H        LYS  17   7.941   1.853   2.311
  113    HA   LYS  17           HA       LYS  17   9.740   1.239   0.346
  114    HB2  LYS  17           HB2      LYS  17  11.708   0.350   1.456
  115    HB3  LYS  17           HB3      LYS  17  11.521   2.065   1.835
  116    HG2  LYS  17           HG2      LYS  17  10.661  -0.151   3.695
  117    HG3  LYS  17           HG3      LYS  17  12.276   0.559   3.715
  118    HD2  LYS  17           HD2      LYS  17  11.312   2.768   4.177
  119    HD3  LYS  17           HD3      LYS  17   9.676   2.072   4.176
  120    HE2  LYS  17           HE2      LYS  17  11.933   1.343   6.063
  121    HE3  LYS  17           HE3      LYS  17  10.547   2.357   6.458
  122    HZ1  LYS  17           HZ1      LYS  17   9.097   0.474   6.092
  123    HZ2  LYS  17           HZ2      LYS  17  10.272   0.076   7.238
  124    HZ3  LYS  17           HZ3      LYS  17  10.407  -0.502   5.657
  125    H    VAL  18           H        VAL  18   7.869  -0.165  -0.042
  126    HA   VAL  18           HA       VAL  18   8.316  -2.709   1.328
  127    HB   VAL  18           HB       VAL  18   6.152  -3.174   1.963
  128   HG11  VAL  18          HG11      VAL  18   6.181  -0.172   2.254
  129   HG12  VAL  18          HG12      VAL  18   6.944  -1.332   3.343
  130   HG13  VAL  18          HG13      VAL  18   5.188  -1.306   3.174
  131   HG21  VAL  18          HG21      VAL  18   5.108  -1.076   0.071
  132   HG22  VAL  18          HG22      VAL  18   4.132  -2.153   1.076
  133   HG23  VAL  18          HG23      VAL  18   5.147  -2.817  -0.207
  134    HA   PRO  19           HA       PRO  19   8.014  -4.340  -2.843
  135    HB2  PRO  19           HB2      PRO  19   7.102  -6.792  -1.445
  136    HB3  PRO  19           HB3      PRO  19   8.463  -6.577  -2.563
  137    HG2  PRO  19           HG2      PRO  19   8.900  -6.920   0.045
  138    HG3  PRO  19           HG3      PRO  19   9.883  -5.796  -0.913
  139    HD2  PRO  19           HD2      PRO  19   7.622  -5.187   0.974
  140    HD3  PRO  19           HD3      PRO  19   9.172  -4.340   0.735
  141    H    PHE  20           H        PHE  20   6.316  -5.021  -4.298
  142    HA   PHE  20           HA       PHE  20   3.850  -3.841  -3.775
  143    HB2  PHE  20           HB2      PHE  20   4.703  -4.327  -6.060
  144    HB3  PHE  20           HB3      PHE  20   4.360  -6.034  -5.799
  145    HD1  PHE  20           HD1      PHE  20   2.868  -2.710  -6.241
  146    HD2  PHE  20           HD2      PHE  20   2.125  -6.887  -5.912
  147    HE1  PHE  20           HE1      PHE  20   0.563  -2.356  -7.020
  148    HE2  PHE  20           HE2      PHE  20  -0.180  -6.541  -6.697
  149    HZ   PHE  20           HZ       PHE  20  -0.965  -4.274  -7.251
  150    H    ASP  21           H        ASP  21   4.772  -7.260  -3.506
  151    HA   ASP  21           HA       ASP  21   2.204  -8.265  -2.995
  152    HB2  ASP  21           HB2      ASP  21   3.308 -10.232  -2.063
  153    HB3  ASP  21           HB3      ASP  21   4.094  -9.731  -3.556
  154    H    GLN  22           H        GLN  22   4.661  -6.970  -0.799
  155    HA   GLN  22           HA       GLN  22   3.213  -7.480   1.577
  156    HB2  GLN  22           HB2      GLN  22   5.630  -6.953   1.569
  157    HB3  GLN  22           HB3      GLN  22   5.265  -5.312   1.041
  158    HG2  GLN  22           HG2      GLN  22   3.907  -5.047   3.131
  159    HG3  GLN  22           HG3      GLN  22   4.559  -6.602   3.662
  160   HE21  GLN  22          HE21      GLN  22   4.861  -3.980   4.866
  161   HE22  GLN  22          HE22      GLN  22   6.565  -3.673   4.926
  162    H    CYS  23           H        CYS  23   3.312  -4.770  -0.686
  163    HA   CYS  23           HA       CYS  23   1.638  -3.035   0.787
  164    HB2  CYS  23           HB2      CYS  23   2.957  -2.364  -1.280
  165    HB3  CYS  23           HB3      CYS  23   1.737  -3.205  -2.238
  166    H    TYR  24           H        TYR  24   0.927  -5.533  -1.611
  167    HA   TYR  24           HA       TYR  24  -1.867  -5.239  -1.581
  168    HB2  TYR  24           HB2      TYR  24  -0.557  -6.599  -3.267
  169    HB3  TYR  24           HB3      TYR  24  -0.357  -7.836  -2.014
  170    HD1  TYR  24           HD1      TYR  24  -2.216  -9.218  -1.327
  171    HD2  TYR  24           HD2      TYR  24  -2.727  -6.200  -4.276
  172    HE1  TYR  24           HE1      TYR  24  -4.379 -10.196  -1.942
  173    HE2  TYR  24           HE2      TYR  24  -4.893  -7.170  -4.902
  174    HH   TYR  24           HH       TYR  24  -6.086  -9.258  -4.766
  175    H    GLN  25           H        GLN  25   0.325  -7.050   0.512
  176    HA   GLN  25           HA       GLN  25  -1.743  -8.634   1.668
  177    HB2  GLN  25           HB2      GLN  25  -0.093  -9.666   2.930
  178    HB3  GLN  25           HB3      GLN  25   0.870  -9.036   1.600
  179    HG2  GLN  25           HG2      GLN  25   1.518  -7.111   2.985
  180    HG3  GLN  25           HG3      GLN  25   0.551  -7.748   4.310
  181   HE21  GLN  25          HE21      GLN  25   2.295  -7.919   5.670
  182   HE22  GLN  25          HE22      GLN  25   3.527  -9.118   5.470
  183    H    MET  26           H        MET  26  -0.397  -5.509   2.405
  184    HA   MET  26           HA       MET  26  -1.670  -5.421   5.002
  185    HB2  MET  26           HB2      MET  26   0.425  -4.312   4.888
  186    HB3  MET  26           HB3      MET  26  -0.024  -3.468   3.417
  187    HG2  MET  26           HG2      MET  26  -1.657  -2.138   4.681
  188    HG3  MET  26           HG3      MET  26  -1.179  -2.972   6.160
  189    HE1  MET  26           HE1      MET  26   1.496  -2.051   3.387
  190    HE2  MET  26           HE2      MET  26   1.791  -0.355   3.767
  191    HE3  MET  26           HE3      MET  26   0.219  -0.858   3.147
  192    H    CYS  27           H        CYS  27  -2.115  -3.911   1.820
  193    HA   CYS  27           HA       CYS  27  -4.371  -2.377   2.776
  194    HB2  CYS  27           HB2      CYS  27  -3.445  -2.725  -0.094
  195    HB3  CYS  27           HB3      CYS  27  -4.474  -1.436   0.563
  196    H    SER  28           H        SER  28  -4.012  -5.569   1.717
  197    HA   SER  28           HA       SER  28  -6.331  -5.880   0.190
  198    HB2  SER  28           HB2      SER  28  -6.178  -8.330   0.867
  199    HB3  SER  28           HB3      SER  28  -4.780  -7.636   0.040
  200    HG   SER  28           HG       SER  28  -4.687  -8.940   2.222
  201    HA   PRO  29           HA       PRO  29  -8.716  -7.112   4.293
  202    HB2  PRO  29           HB2      PRO  29  -7.250  -5.362   6.199
  203    HB3  PRO  29           HB3      PRO  29  -7.968  -6.964   6.463
  204    HG2  PRO  29           HG2      PRO  29  -5.333  -6.726   6.256
  205    HG3  PRO  29           HG3      PRO  29  -6.178  -8.082   5.463
  206    HD2  PRO  29           HD2      PRO  29  -5.130  -5.530   4.248
  207    HD3  PRO  29           HD3      PRO  29  -5.043  -7.198   3.627
  208    H    LEU  30           H        LEU  30  -7.494  -4.150   3.194
  209    HA   LEU  30           HA       LEU  30  -9.673  -2.544   4.264
  210    HB2  LEU  30           HB2      LEU  30  -7.183  -1.819   3.952
  211    HB3  LEU  30           HB3      LEU  30  -7.623  -1.639   2.245
  212    HG   LEU  30           HG       LEU  30  -8.769  -0.093   4.594
  213   HD11  LEU  30          HD11      LEU  30  -6.550   0.623   3.985
  214   HD12  LEU  30          HD12      LEU  30  -7.720   1.822   3.430
  215   HD13  LEU  30          HD13      LEU  30  -7.003   0.693   2.282
  216   HD21  LEU  30          HD21      LEU  30 -10.037   1.198   2.970
  217   HD22  LEU  30          HD22      LEU  30 -10.498  -0.505   2.880
  218   HD23  LEU  30          HD23      LEU  30  -9.433   0.187   1.656
  219    H    GLU  31           H        GLU  31  -8.304  -3.220   1.042
  220    HA   GLU  31           HA       GLU  31 -10.664  -2.134  -0.203
  221    HB2  GLU  31           HB2      GLU  31  -8.416  -1.693  -1.104
  222    HB3  GLU  31           HB3      GLU  31  -8.253  -3.412  -1.490
  223    HG2  GLU  31           HG2      GLU  31  -8.913  -1.895  -3.410
  224    HG3  GLU  31           HG3      GLU  31  -9.943  -3.305  -3.136
  225    H    ARG  32           H        ARG  32  -9.049  -5.331  -0.552
  226    HA   ARG  32           HA       ARG  32 -11.712  -6.335  -1.279
  227    HB2  ARG  32           HB2      ARG  32 -10.639  -7.998  -2.796
  228    HB3  ARG  32           HB3      ARG  32 -10.448  -6.326  -3.331
  229    HG2  ARG  32           HG2      ARG  32  -8.271  -7.709  -1.768
  230    HG3  ARG  32           HG3      ARG  32  -8.437  -7.964  -3.505
  231    HD2  ARG  32           HD2      ARG  32  -7.965  -5.337  -2.089
  232    HD3  ARG  32           HD3      ARG  32  -6.830  -6.215  -3.114
  233    HE   ARG  32           HE       ARG  32  -9.282  -5.537  -4.452
  234   HH11  ARG  32          HH11      ARG  32  -6.079  -4.363  -3.612
  235   HH12  ARG  32          HH12      ARG  32  -6.042  -3.208  -4.904
  236   HH21  ARG  32          HH21      ARG  32  -9.217  -4.014  -6.136
  237   HH22  ARG  32          HH22      ARG  32  -7.819  -3.006  -6.332
  238    H    SER  33           H        SER  33 -12.481  -7.577   0.203
  239    HA   SER  33           HA       SER  33 -10.943  -9.866   1.121
  240    HB2  SER  33           HB2      SER  33 -12.211  -7.911   3.073
  241    HB3  SER  33           HB3      SER  33 -11.537  -9.481   3.503
  242    HG   SER  33           HG       SER  33  -9.796  -7.940   2.063
  Start of MODEL   28
    1    HA   ALA   1           HA       ALA   1 -16.748   1.543  -0.743
    2    HB1  ALA   1           HB1      ALA   1 -17.504   0.475   1.335
    3    HB2  ALA   1           HB2      ALA   1 -17.806   2.212   1.333
    4    HB3  ALA   1           HB3      ALA   1 -16.457   1.554   2.258
    5    H    SER   2           H        SER   2 -13.933   2.273  -0.929
    6    HA   SER   2           HA       SER   2 -14.090   5.061  -1.013
    7    HB2  SER   2           HB2      SER   2 -14.063   4.706   1.546
    8    HB3  SER   2           HB3      SER   2 -12.395   4.176   1.338
    9    HG   SER   2           HG       SER   2 -12.848   6.505   0.031
   10    HA   PRO   3           HA       PRO   3 -10.803   2.651  -3.347
   11    HB2  PRO   3           HB2      PRO   3 -11.445   4.891  -5.215
   12    HB3  PRO   3           HB3      PRO   3 -11.160   3.171  -5.568
   13    HG2  PRO   3           HG2      PRO   3 -13.622   4.120  -5.596
   14    HG3  PRO   3           HG3      PRO   3 -13.280   2.547  -4.844
   15    HD2  PRO   3           HD2      PRO   3 -13.793   5.198  -3.502
   16    HD3  PRO   3           HD3      PRO   3 -14.327   3.554  -3.031
   17    H    GLN   4           H        GLN   4 -11.148   6.106  -2.737
   18    HA   GLN   4           HA       GLN   4  -8.560   6.871  -3.512
   19    HB2  GLN   4           HB2      GLN   4 -10.338   8.509  -3.264
   20    HB3  GLN   4           HB3      GLN   4 -10.469   8.148  -1.547
   21    HG2  GLN   4           HG2      GLN   4  -8.187   8.995  -1.208
   22    HG3  GLN   4           HG3      GLN   4  -8.087   9.394  -2.922
   23   HE21  GLN   4          HE21      GLN   4 -11.010   9.798  -1.030
   24   HE22  GLN   4          HE22      GLN   4 -11.002  11.531  -1.051
   25    H    GLN   5           H        GLN   5  -9.884   5.951  -0.348
   26    HA   GLN   5           HA       GLN   5  -7.484   6.529   1.043
   27    HB2  GLN   5           HB2      GLN   5  -8.484   5.677   2.971
   28    HB3  GLN   5           HB3      GLN   5  -9.837   6.298   2.042
   29    HG2  GLN   5           HG2      GLN   5 -10.416   4.066   1.325
   30    HG3  GLN   5           HG3      GLN   5  -8.994   3.410   2.129
   31   HE21  GLN   5          HE21      GLN   5  -9.286   5.168   4.452
   32   HE22  GLN   5          HE22      GLN   5 -10.611   4.526   5.365
   33    H    ALA   6           H        ALA   6  -8.709   3.702  -0.569
   34    HA   ALA   6           HA       ALA   6  -6.730   1.895   0.371
   35    HB1  ALA   6           HB1      ALA   6  -8.802   1.085  -0.654
   36    HB2  ALA   6           HB2      ALA   6  -7.382   0.461  -1.498
   37    HB3  ALA   6           HB3      ALA   6  -8.310   1.785  -2.198
   38    H    LYS   7           H        LYS   7  -6.938   4.066  -2.406
   39    HA   LYS   7           HA       LYS   7  -4.537   3.262  -3.641
   40    HB2  LYS   7           HB2      LYS   7  -6.256   4.675  -4.748
   41    HB3  LYS   7           HB3      LYS   7  -5.814   6.007  -3.690
   42    HG2  LYS   7           HG2      LYS   7  -4.803   6.245  -5.894
   43    HG3  LYS   7           HG3      LYS   7  -3.567   6.048  -4.624
   44    HD2  LYS   7           HD2      LYS   7  -3.331   3.678  -5.211
   45    HD3  LYS   7           HD3      LYS   7  -4.595   3.833  -6.436
   46    HE2  LYS   7           HE2      LYS   7  -1.916   5.234  -6.436
   47    HE3  LYS   7           HE3      LYS   7  -2.381   3.890  -7.478
   48    HZ1  LYS   7           HZ1      LYS   7  -4.188   5.377  -8.331
   49    HZ2  LYS   7           HZ2      LYS   7  -2.616   5.850  -8.732
   50    HZ3  LYS   7           HZ3      LYS   7  -3.449   6.653  -7.499
   51    H    TYR   8           H        TYR   8  -5.242   5.546  -1.074
   52    HA   TYR   8           HA       TYR   8  -2.705   6.719  -0.832
   53    HB2  TYR   8           HB2      TYR   8  -4.704   7.615   0.290
   54    HB3  TYR   8           HB3      TYR   8  -4.773   6.181   1.317
   55    HD1  TYR   8           HD1      TYR   8  -2.648   9.107   0.483
   56    HD2  TYR   8           HD2      TYR   8  -3.611   6.116   3.348
   57    HE1  TYR   8           HE1      TYR   8  -1.220  10.237   2.133
   58    HE2  TYR   8           HE2      TYR   8  -2.183   7.235   5.006
   59    HH   TYR   8           HH       TYR   8  -0.312   8.778   5.086
   60    H    CYS   9           H        CYS   9  -4.082   3.813   0.650
   61    HA   CYS   9           HA       CYS   9  -1.886   3.192   2.306
   62    HB2  CYS   9           HB2      CYS   9  -4.187   2.177   2.467
   63    HB3  CYS   9           HB3      CYS   9  -3.809   1.206   1.040
   64    H    TYR  10           H        TYR  10  -2.707   2.167  -0.985
   65    HA   TYR  10           HA       TYR  10  -0.424   0.515  -1.343
   66    HB2  TYR  10           HB2      TYR  10  -2.445   1.715  -3.228
   67    HB3  TYR  10           HB3      TYR  10  -1.020   0.869  -3.842
   68    HD1  TYR  10           HD1      TYR  10  -0.686  -1.505  -3.324
   69    HD2  TYR  10           HD2      TYR  10  -4.291   0.502  -2.299
   70    HE1  TYR  10           HE1      TYR  10  -1.806  -3.663  -3.065
   71    HE2  TYR  10           HE2      TYR  10  -5.422  -1.656  -2.035
   72    HH   TYR  10           HH       TYR  10  -3.735  -4.618  -1.911
   73    H    GLU  11           H        GLU  11  -1.060   3.921  -2.013
   74    HA   GLU  11           HA       GLU  11   1.310   4.274  -3.538
   75    HB2  GLU  11           HB2      GLU  11  -0.708   5.733  -3.742
   76    HB3  GLU  11           HB3      GLU  11  -0.340   6.401  -2.139
   77    HG2  GLU  11           HG2      GLU  11   1.600   7.467  -2.913
   78    HG3  GLU  11           HG3      GLU  11   1.621   6.525  -4.421
   79    H    GLN  12           H        GLN  12   0.489   4.814  -0.112
   80    HA   GLN  12           HA       GLN  12   2.966   5.967   0.594
   81    HB2  GLN  12           HB2      GLN  12   0.939   4.455   2.254
   82    HB3  GLN  12           HB3      GLN  12   2.394   5.167   2.922
   83    HG2  GLN  12           HG2      GLN  12   0.334   6.708   1.398
   84    HG3  GLN  12           HG3      GLN  12   0.351   6.543   3.149
   85   HE21  GLN  12          HE21      GLN  12   3.294   6.596   3.225
   86   HE22  GLN  12          HE22      GLN  12   3.736   8.258   2.984
   87    H    CYS  13           H        CYS  13   2.023   2.726  -0.090
   88    HA   CYS  13           HA       CYS  13   4.005   1.324   1.285
   89    HB2  CYS  13           HB2      CYS  13   2.497   0.737  -1.261
   90    HB3  CYS  13           HB3      CYS  13   3.730  -0.360  -0.648
   91    H    ASN  14           H        ASN  14   4.085   2.638  -2.050
   92    HA   ASN  14           HA       ASN  14   6.854   1.874  -2.311
   93    HB2  ASN  14           HB2      ASN  14   6.718   3.057  -4.513
   94    HB3  ASN  14           HB3      ASN  14   5.515   1.794  -4.302
   95   HD21  ASN  14          HD21      ASN  14   6.001   5.298  -4.393
   96   HD22  ASN  14          HD22      ASN  14   4.336   5.681  -4.675
   97    H    VAL  15           H        VAL  15   5.075   4.738  -1.425
   98    HA   VAL  15           HA       VAL  15   7.149   6.612  -1.677
   99    HB   VAL  15           HB       VAL  15   4.847   6.569   0.286
  100   HG11  VAL  15          HG11      VAL  15   6.762   8.812  -0.375
  101   HG12  VAL  15          HG12      VAL  15   6.655   7.951   1.160
  102   HG13  VAL  15          HG13      VAL  15   5.315   8.965   0.621
  103   HG21  VAL  15          HG21      VAL  15   4.136   6.732  -2.045
  104   HG22  VAL  15          HG22      VAL  15   5.244   8.077  -2.302
  105   HG23  VAL  15          HG23      VAL  15   3.872   8.263  -1.212
  106    H    ASN  16           H        ASN  16   6.155   4.613   1.133
  107    HA   ASN  16           HA       ASN  16   8.349   5.616   2.706
  108    HB2  ASN  16           HB2      ASN  16   6.534   3.227   3.190
  109    HB3  ASN  16           HB3      ASN  16   7.651   3.928   4.367
  110   HD21  ASN  16          HD21      ASN  16   7.095   6.666   3.594
  111   HD22  ASN  16          HD22      ASN  16   5.522   7.028   4.215
  112    H    LYS  17           H        LYS  17   7.711   2.153   2.254
  113    HA   LYS  17           HA       LYS  17   9.490   1.567   0.269
  114    HB2  LYS  17           HB2      LYS  17  11.238   2.420   1.866
  115    HB3  LYS  17           HB3      LYS  17  10.840   1.052   2.918
  116    HG2  LYS  17           HG2      LYS  17  11.466  -0.507   1.137
  117    HG3  LYS  17           HG3      LYS  17  11.860   0.852   0.081
  118    HD2  LYS  17           HD2      LYS  17  13.626   1.572   1.536
  119    HD3  LYS  17           HD3      LYS  17  13.187   0.364   2.761
  120    HE2  LYS  17           HE2      LYS  17  14.213  -0.192  -0.031
  121    HE3  LYS  17           HE3      LYS  17  15.135  -0.352   1.464
  122    HZ1  LYS  17           HZ1      LYS  17  12.719  -1.922   0.737
  123    HZ2  LYS  17           HZ2      LYS  17  13.584  -2.069   2.182
  124    HZ3  LYS  17           HZ3      LYS  17  14.314  -2.485   0.716
  125    H    VAL  18           H        VAL  18   7.599   0.102  -0.024
  126    HA   VAL  18           HA       VAL  18   8.234  -2.426   1.296
  127    HB   VAL  18           HB       VAL  18   6.318  -2.767   2.419
  128   HG11  VAL  18          HG11      VAL  18   5.031  -0.838   3.135
  129   HG12  VAL  18          HG12      VAL  18   5.707   0.122   1.820
  130   HG13  VAL  18          HG13      VAL  18   6.756  -0.470   3.104
  131   HG21  VAL  18          HG21      VAL  18   4.828  -1.640   0.061
  132   HG22  VAL  18          HG22      VAL  18   4.056  -2.356   1.478
  133   HG23  VAL  18          HG23      VAL  18   5.101  -3.337   0.443
  134    HA   PRO  19           HA       PRO  19   7.703  -4.027  -2.848
  135    HB2  PRO  19           HB2      PRO  19   6.979  -6.540  -1.462
  136    HB3  PRO  19           HB3      PRO  19   8.284  -6.236  -2.623
  137    HG2  PRO  19           HG2      PRO  19   8.799  -6.623  -0.021
  138    HG3  PRO  19           HG3      PRO  19   9.742  -5.492  -1.010
  139    HD2  PRO  19           HD2      PRO  19   7.592  -4.905   0.994
  140    HD3  PRO  19           HD3      PRO  19   9.096  -4.022   0.635
  141    H    PHE  20           H        PHE  20   5.965  -4.458  -4.199
  142    HA   PHE  20           HA       PHE  20   3.448  -3.612  -3.311
  143    HB2  PHE  20           HB2      PHE  20   4.255  -3.472  -5.677
  144    HB3  PHE  20           HB3      PHE  20   3.976  -5.205  -5.820
  145    HD1  PHE  20           HD1      PHE  20   1.761  -6.102  -5.996
  146    HD2  PHE  20           HD2      PHE  20   2.384  -1.934  -5.423
  147    HE1  PHE  20           HE1      PHE  20  -0.591  -5.675  -6.575
  148    HE2  PHE  20           HE2      PHE  20   0.032  -1.498  -5.997
  149    HZ   PHE  20           HZ       PHE  20  -1.458  -3.370  -6.571
  150    H    ASP  21           H        ASP  21   4.725  -6.875  -3.783
  151    HA   ASP  21           HA       ASP  21   2.285  -8.241  -3.440
  152    HB2  ASP  21           HB2      ASP  21   3.596 -10.222  -2.995
  153    HB3  ASP  21           HB3      ASP  21   4.351  -9.320  -4.304
  154    H    GLN  22           H        GLN  22   4.679  -7.074  -1.133
  155    HA   GLN  22           HA       GLN  22   3.381  -8.079   1.181
  156    HB2  GLN  22           HB2      GLN  22   5.738  -7.410   1.229
  157    HB3  GLN  22           HB3      GLN  22   5.294  -5.748   0.870
  158    HG2  GLN  22           HG2      GLN  22   4.024  -5.686   3.001
  159    HG3  GLN  22           HG3      GLN  22   4.651  -7.300   3.362
  160   HE21  GLN  22          HE21      GLN  22   5.034  -4.777   4.786
  161   HE22  GLN  22          HE22      GLN  22   6.748  -4.530   4.860
  162    H    CYS  23           H        CYS  23   3.181  -5.065  -0.647
  163    HA   CYS  23           HA       CYS  23   1.498  -3.675   1.151
  164    HB2  CYS  23           HB2      CYS  23   2.708  -2.668  -0.856
  165    HB3  CYS  23           HB3      CYS  23   1.417  -3.343  -1.853
  166    H    TYR  24           H        TYR  24   0.821  -5.868  -1.520
  167    HA   TYR  24           HA       TYR  24  -1.978  -5.705  -1.442
  168    HB2  TYR  24           HB2      TYR  24  -0.774  -6.801  -3.292
  169    HB3  TYR  24           HB3      TYR  24  -0.227  -8.071  -2.185
  170    HD1  TYR  24           HD1      TYR  24  -1.454 -10.017  -2.012
  171    HD2  TYR  24           HD2      TYR  24  -3.364  -6.513  -3.475
  172    HE1  TYR  24           HE1      TYR  24  -3.467 -11.326  -2.502
  173    HE2  TYR  24           HE2      TYR  24  -5.389  -7.811  -3.964
  174    HH   TYR  24           HH       TYR  24  -6.067 -10.084  -4.374
  175    H    GLN  25           H        GLN  25   0.263  -7.225   0.711
  176    HA   GLN  25           HA       GLN  25  -1.716  -9.011   1.817
  177    HB2  GLN  25           HB2      GLN  25   1.114  -8.310   2.581
  178    HB3  GLN  25           HB3      GLN  25   0.096  -9.277   3.642
  179    HG2  GLN  25           HG2      GLN  25   0.740 -10.005   0.775
  180    HG3  GLN  25           HG3      GLN  25   1.570 -10.646   2.192
  181   HE21  GLN  25          HE21      GLN  25  -1.359 -10.643   0.342
  182   HE22  GLN  25          HE22      GLN  25  -2.094 -12.006   1.116
  183    H    MET  26           H        MET  26  -0.482  -5.819   2.480
  184    HA   MET  26           HA       MET  26  -1.786  -5.725   5.068
  185    HB2  MET  26           HB2      MET  26   0.394  -4.719   4.946
  186    HB3  MET  26           HB3      MET  26  -0.075  -3.757   3.558
  187    HG2  MET  26           HG2      MET  26  -1.632  -2.485   4.968
  188    HG3  MET  26           HG3      MET  26  -1.133  -3.441   6.364
  189    HE1  MET  26           HE1      MET  26   0.120  -0.964   3.563
  190    HE2  MET  26           HE2      MET  26   1.348  -2.228   3.504
  191    HE3  MET  26           HE3      MET  26   1.764  -0.625   4.102
  192    H    CYS  27           H        CYS  27  -2.079  -4.045   1.922
  193    HA   CYS  27           HA       CYS  27  -4.220  -2.416   3.020
  194    HB2  CYS  27           HB2      CYS  27  -3.078  -2.409   0.208
  195    HB3  CYS  27           HB3      CYS  27  -4.149  -1.188   0.923
  196    H    SER  28           H        SER  28  -4.139  -5.421   1.384
  197    HA   SER  28           HA       SER  28  -6.412  -5.056  -0.238
  198    HB2  SER  28           HB2      SER  28  -6.565  -7.522  -0.370
  199    HB3  SER  28           HB3      SER  28  -4.948  -6.901  -0.723
  200    HG   SER  28           HG       SER  28  -4.214  -8.006   0.884
  201    HA   PRO  29           HA       PRO  29  -9.021  -6.943   3.466
  202    HB2  PRO  29           HB2      PRO  29  -7.465  -5.761   5.705
  203    HB3  PRO  29           HB3      PRO  29  -8.334  -7.307   5.630
  204    HG2  PRO  29           HG2      PRO  29  -5.684  -7.291   5.505
  205    HG3  PRO  29           HG3      PRO  29  -6.623  -8.363   4.433
  206    HD2  PRO  29           HD2      PRO  29  -5.310  -5.726   3.798
  207    HD3  PRO  29           HD3      PRO  29  -5.350  -7.230   2.841
  208    H    LEU  30           H        LEU  30  -7.449  -3.912   3.182
  209    HA   LEU  30           HA       LEU  30  -9.442  -2.327   4.493
  210    HB2  LEU  30           HB2      LEU  30  -6.991  -1.700   4.006
  211    HB3  LEU  30           HB3      LEU  30  -7.520  -1.418   2.339
  212    HG   LEU  30           HG       LEU  30  -8.509   0.087   4.788
  213   HD11  LEU  30          HD11      LEU  30  -6.218   0.643   4.305
  214   HD12  LEU  30          HD12      LEU  30  -7.250   1.966   3.760
  215   HD13  LEU  30          HD13      LEU  30  -6.584   0.827   2.590
  216   HD21  LEU  30          HD21      LEU  30  -9.013   0.640   1.858
  217   HD22  LEU  30          HD22      LEU  30  -9.616   1.570   3.230
  218   HD23  LEU  30          HD23      LEU  30 -10.184  -0.079   2.963
  219    H    GLU  31           H        GLU  31  -8.667  -3.169   1.152
  220    HA   GLU  31           HA       GLU  31 -10.913  -1.682   0.122
  221    HB2  GLU  31           HB2      GLU  31  -8.597  -2.012  -0.988
  222    HB3  GLU  31           HB3      GLU  31  -9.209  -3.603  -1.456
  223    HG2  GLU  31           HG2      GLU  31 -10.580  -1.013  -2.193
  224    HG3  GLU  31           HG3      GLU  31  -9.372  -1.810  -3.209
  225    H    ARG  32           H        ARG  32  -9.971  -5.079  -0.445
  226    HA   ARG  32           HA       ARG  32 -12.565  -6.014   0.450
  227    HB2  ARG  32           HB2      ARG  32 -11.640  -6.392  -2.416
  228    HB3  ARG  32           HB3      ARG  32 -12.892  -7.385  -1.671
  229    HG2  ARG  32           HG2      ARG  32 -13.056  -4.381  -2.059
  230    HG3  ARG  32           HG3      ARG  32 -13.791  -5.576  -3.127
  231    HD2  ARG  32           HD2      ARG  32 -14.534  -4.851  -0.306
  232    HD3  ARG  32           HD3      ARG  32 -15.532  -4.872  -1.750
  233    HE   ARG  32           HE       ARG  32 -14.830  -7.472  -1.457
  234   HH11  ARG  32          HH11      ARG  32 -16.264  -5.111   0.686
  235   HH12  ARG  32          HH12      ARG  32 -17.195  -6.283   1.560
  236   HH21  ARG  32          HH21      ARG  32 -16.036  -9.025  -0.298
  237   HH22  ARG  32          HH22      ARG  32 -17.072  -8.511   0.998
  238    H    SER  33           H        SER  33 -12.318  -7.842   1.519
  239    HA   SER  33           HA       SER  33 -10.587  -9.932   0.596
  240    HB2  SER  33           HB2      SER  33  -8.997  -8.401   1.843
  241    HB3  SER  33           HB3      SER  33  -9.939  -8.719   3.301
  242    HG   SER  33           HG       SER  33  -8.275 -10.444   1.833
  Start of MODEL   29
    1    HA   ALA   1           HA       ALA   1 -16.646   2.110   2.163
    2    HB1  ALA   1           HB1      ALA   1 -18.495   2.376   3.750
    3    HB2  ALA   1           HB2      ALA   1 -18.419   3.718   2.606
    4    HB3  ALA   1           HB3      ALA   1 -17.831   3.928   4.255
    5    H    SER   2           H        SER   2 -14.217   2.770   1.975
    6    HA   SER   2           HA       SER   2 -14.151   5.566   1.218
    7    HB2  SER   2           HB2      SER   2 -13.515   5.498   3.704
    8    HB3  SER   2           HB3      SER   2 -12.087   4.586   3.218
    9    HG   SER   2           HG       SER   2 -12.732   7.102   2.095
   10    HA   PRO   3           HA       PRO   3 -11.832   2.377  -1.394
   11    HB2  PRO   3           HB2      PRO   3 -13.073   4.106  -3.481
   12    HB3  PRO   3           HB3      PRO   3 -12.906   2.336  -3.429
   13    HG2  PRO   3           HG2      PRO   3 -15.257   3.446  -2.958
   14    HG3  PRO   3           HG3      PRO   3 -14.694   2.091  -1.956
   15    HD2  PRO   3           HD2      PRO   3 -14.722   5.036  -1.287
   16    HD3  PRO   3           HD3      PRO   3 -15.138   3.627  -0.260
   17    H    GLN   4           H        GLN   4 -11.927   5.855  -1.230
   18    HA   GLN   4           HA       GLN   4  -9.695   6.294  -2.960
   19    HB2  GLN   4           HB2      GLN   4 -11.057   8.043  -0.921
   20    HB3  GLN   4           HB3      GLN   4  -9.634   8.571  -1.806
   21    HG2  GLN   4           HG2      GLN   4 -12.055   7.579  -3.273
   22    HG3  GLN   4           HG3      GLN   4 -11.973   9.239  -2.689
   23   HE21  GLN   4          HE21      GLN   4  -9.094   7.570  -3.763
   24   HE22  GLN   4          HE22      GLN   4  -8.891   8.467  -5.227
   25    H    GLN   5           H        GLN   5 -10.068   5.823   0.511
   26    HA   GLN   5           HA       GLN   5  -7.441   6.549   1.222
   27    HB2  GLN   5           HB2      GLN   5  -7.851   5.685   3.346
   28    HB3  GLN   5           HB3      GLN   5  -9.458   6.114   2.783
   29    HG2  GLN   5           HG2      GLN   5  -9.912   3.796   2.225
   30    HG3  GLN   5           HG3      GLN   5  -8.275   3.345   2.692
   31   HE21  GLN   5          HE21      GLN   5  -8.328   5.207   4.991
   32   HE22  GLN   5          HE22      GLN   5  -9.299   4.426   6.190
   33    H    ALA   6           H        ALA   6  -8.785   3.692  -0.147
   34    HA   ALA   6           HA       ALA   6  -6.690   1.878   0.320
   35    HB1  ALA   6           HB1      ALA   6  -7.545   0.667  -1.648
   36    HB2  ALA   6           HB2      ALA   6  -8.589   2.036  -2.020
   37    HB3  ALA   6           HB3      ALA   6  -8.830   1.123  -0.530
   38    H    LYS   7           H        LYS   7  -7.198   4.310  -2.176
   39    HA   LYS   7           HA       LYS   7  -4.957   3.649  -3.770
   40    HB2  LYS   7           HB2      LYS   7  -6.774   5.062  -4.625
   41    HB3  LYS   7           HB3      LYS   7  -6.392   6.299  -3.435
   42    HG2  LYS   7           HG2      LYS   7  -5.544   6.917  -5.615
   43    HG3  LYS   7           HG3      LYS   7  -4.205   6.645  -4.471
   44    HD2  LYS   7           HD2      LYS   7  -4.034   4.298  -5.419
   45    HD3  LYS   7           HD3      LYS   7  -5.162   4.800  -6.685
   46    HE2  LYS   7           HE2      LYS   7  -2.831   4.979  -7.451
   47    HE3  LYS   7           HE3      LYS   7  -3.599   6.566  -7.367
   48    HZ1  LYS   7           HZ1      LYS   7  -2.517   6.926  -5.225
   49    HZ2  LYS   7           HZ2      LYS   7  -1.377   6.630  -6.438
   50    HZ3  LYS   7           HZ3      LYS   7  -1.770   5.412  -5.334
   51    H    TYR   8           H        TYR   8  -5.383   5.601  -0.912
   52    HA   TYR   8           HA       TYR   8  -2.822   6.823  -0.912
   53    HB2  TYR   8           HB2      TYR   8  -4.789   7.635   0.403
   54    HB3  TYR   8           HB3      TYR   8  -4.619   6.226   1.452
   55    HD1  TYR   8           HD1      TYR   8  -3.031   6.197   3.213
   56    HD2  TYR   8           HD2      TYR   8  -2.998   9.360   0.368
   57    HE1  TYR   8           HE1      TYR   8  -1.482   7.458   4.647
   58    HE2  TYR   8           HE2      TYR   8  -1.447  10.631   1.791
   59    HH   TYR   8           HH       TYR   8  -0.807  10.747   4.171
   60    H    CYS   9           H        CYS   9  -4.134   3.876   0.537
   61    HA   CYS   9           HA       CYS   9  -1.829   3.092   1.952
   62    HB2  CYS   9           HB2      CYS   9  -4.109   2.095   2.257
   63    HB3  CYS   9           HB3      CYS   9  -3.913   1.259   0.711
   64    H    TYR  10           H        TYR  10  -2.966   2.217  -1.305
   65    HA   TYR  10           HA       TYR  10  -0.727   0.576  -1.910
   66    HB2  TYR  10           HB2      TYR  10  -2.891   1.839  -3.595
   67    HB3  TYR  10           HB3      TYR  10  -1.548   0.963  -4.333
   68    HD1  TYR  10           HD1      TYR  10  -4.729   0.673  -2.658
   69    HD2  TYR  10           HD2      TYR  10  -1.204  -1.442  -3.746
   70    HE1  TYR  10           HE1      TYR  10  -5.913  -1.453  -2.342
   71    HE2  TYR  10           HE2      TYR  10  -2.375  -3.568  -3.433
   72    HH   TYR  10           HH       TYR  10  -5.764  -3.778  -3.071
   73    H    GLU  11           H        GLU  11  -1.172   3.987  -1.959
   74    HA   GLU  11           HA       GLU  11   1.037   4.450  -3.746
   75    HB2  GLU  11           HB2      GLU  11  -0.959   6.029  -3.408
   76    HB3  GLU  11           HB3      GLU  11  -0.162   6.487  -1.885
   77    HG2  GLU  11           HG2      GLU  11   0.340   8.043  -3.715
   78    HG3  GLU  11           HG3      GLU  11   1.792   7.235  -3.078
   79    H    GLN  12           H        GLN  12   0.447   5.160  -0.303
   80    HA   GLN  12           HA       GLN  12   3.097   5.989   0.153
   81    HB2  GLN  12           HB2      GLN  12   0.870   5.260   2.046
   82    HB3  GLN  12           HB3      GLN  12   2.422   5.880   2.583
   83    HG2  GLN  12           HG2      GLN  12   0.891   7.376   0.524
   84    HG3  GLN  12           HG3      GLN  12   0.406   7.478   2.210
   85   HE21  GLN  12          HE21      GLN  12   3.740   7.013   1.401
   86   HE22  GLN  12          HE22      GLN  12   4.269   8.609   1.816
   87    H    CYS  13           H        CYS  13   1.688   2.849   0.113
   88    HA   CYS  13           HA       CYS  13   3.370   1.503   1.899
   89    HB2  CYS  13           HB2      CYS  13   2.798  -0.530   0.679
   90    HB3  CYS  13           HB3      CYS  13   1.362   0.493   0.777
   91    H    ASN  14           H        ASN  14   3.802   1.964  -1.617
   92    HA   ASN  14           HA       ASN  14   6.485   0.955  -1.580
   93    HB2  ASN  14           HB2      ASN  14   5.044   2.588  -3.685
   94    HB3  ASN  14           HB3      ASN  14   6.611   1.832  -3.912
   95   HD21  ASN  14          HD21      ASN  14   5.871  -0.591  -2.421
   96   HD22  ASN  14          HD22      ASN  14   4.810  -1.467  -3.475
   97    H    VAL  15           H        VAL  15   5.040   4.119  -1.251
   98    HA   VAL  15           HA       VAL  15   7.336   5.664  -1.771
   99    HB   VAL  15           HB       VAL  15   4.975   6.330  -0.001
  100   HG11  VAL  15          HG11      VAL  15   5.646   8.669  -0.269
  101   HG12  VAL  15          HG12      VAL  15   7.066   8.160  -1.182
  102   HG13  VAL  15          HG13      VAL  15   6.913   7.731   0.521
  103   HG21  VAL  15          HG21      VAL  15   4.221   7.662  -1.960
  104   HG22  VAL  15          HG22      VAL  15   4.261   5.929  -2.277
  105   HG23  VAL  15          HG23      VAL  15   5.542   6.966  -2.895
  106    H    ASN  16           H        ASN  16   6.076   4.163   1.184
  107    HA   ASN  16           HA       ASN  16   8.144   5.247   2.845
  108    HB2  ASN  16           HB2      ASN  16   6.398   2.797   3.284
  109    HB3  ASN  16           HB3      ASN  16   7.419   3.566   4.503
  110   HD21  ASN  16          HD21      ASN  16   6.748   6.266   3.557
  111   HD22  ASN  16          HD22      ASN  16   5.140   6.561   4.127
  112    H    LYS  17           H        LYS  17   7.598   1.778   2.304
  113    HA   LYS  17           HA       LYS  17   9.705   1.232   0.625
  114    HB2  LYS  17           HB2      LYS  17  11.163   2.049   2.461
  115    HB3  LYS  17           HB3      LYS  17  10.507   0.783   3.509
  116    HG2  LYS  17           HG2      LYS  17  11.457  -0.942   2.108
  117    HG3  LYS  17           HG3      LYS  17  12.004   0.264   0.936
  118    HD2  LYS  17           HD2      LYS  17  13.528   1.231   2.530
  119    HD3  LYS  17           HD3      LYS  17  12.923   0.184   3.832
  120    HE2  LYS  17           HE2      LYS  17  13.750  -1.781   2.602
  121    HE3  LYS  17           HE3      LYS  17  14.336  -0.729   1.314
  122    HZ1  LYS  17           HZ1      LYS  17  16.106  -1.364   2.838
  123    HZ2  LYS  17           HZ2      LYS  17  15.271  -0.671   4.130
  124    HZ3  LYS  17           HZ3      LYS  17  15.848   0.304   2.879
  125    H    VAL  18           H        VAL  18   7.900  -0.201  -0.036
  126    HA   VAL  18           HA       VAL  18   8.182  -2.754   1.348
  127    HB   VAL  18           HB       VAL  18   5.934  -3.248   1.690
  128   HG11  VAL  18          HG11      VAL  18   6.062  -0.295   2.292
  129   HG12  VAL  18          HG12      VAL  18   6.661  -1.597   3.321
  130   HG13  VAL  18          HG13      VAL  18   4.932  -1.456   2.993
  131   HG21  VAL  18          HG21      VAL  18   5.155  -2.629  -0.515
  132   HG22  VAL  18          HG22      VAL  18   5.147  -0.924  -0.054
  133   HG23  VAL  18          HG23      VAL  18   4.048  -2.058   0.737
  134    HA   PRO  19           HA       PRO  19   8.058  -4.280  -2.892
  135    HB2  PRO  19           HB2      PRO  19   7.337  -6.840  -1.629
  136    HB3  PRO  19           HB3      PRO  19   8.740  -6.447  -2.637
  137    HG2  PRO  19           HG2      PRO  19   8.991  -6.897  -0.002
  138    HG3  PRO  19           HG3      PRO  19   9.992  -5.707  -0.857
  139    HD2  PRO  19           HD2      PRO  19   7.592  -5.242   0.886
  140    HD3  PRO  19           HD3      PRO  19   9.117  -4.329   0.770
  141    H    PHE  20           H        PHE  20   6.409  -5.108  -4.352
  142    HA   PHE  20           HA       PHE  20   3.850  -4.185  -3.931
  143    HB2  PHE  20           HB2      PHE  20   4.650  -4.815  -6.163
  144    HB3  PHE  20           HB3      PHE  20   4.637  -6.514  -5.703
  145    HD1  PHE  20           HD1      PHE  20   2.654  -7.796  -5.813
  146    HD2  PHE  20           HD2      PHE  20   2.486  -3.568  -6.270
  147    HE1  PHE  20           HE1      PHE  20   0.310  -7.972  -6.534
  148    HE2  PHE  20           HE2      PHE  20   0.139  -3.738  -6.989
  149    HZ   PHE  20           HZ       PHE  20  -0.953  -5.940  -7.119
  150    H    ASP  21           H        ASP  21   5.027  -7.494  -3.347
  151    HA   ASP  21           HA       ASP  21   2.558  -8.646  -2.700
  152    HB2  ASP  21           HB2      ASP  21   3.783 -10.439  -1.666
  153    HB3  ASP  21           HB3      ASP  21   4.678  -9.928  -3.093
  154    H    GLN  22           H        GLN  22   4.838  -6.841  -0.717
  155    HA   GLN  22           HA       GLN  22   3.452  -7.225   1.742
  156    HB2  GLN  22           HB2      GLN  22   5.817  -6.538   1.640
  157    HB3  GLN  22           HB3      GLN  22   5.339  -5.009   0.915
  158    HG2  GLN  22           HG2      GLN  22   5.710  -4.565   3.188
  159    HG3  GLN  22           HG3      GLN  22   3.954  -4.600   2.975
  160   HE21  GLN  22          HE21      GLN  22   5.981  -7.455   3.069
  161   HE22  GLN  22          HE22      GLN  22   5.388  -8.054   4.582
  162    H    CYS  23           H        CYS  23   3.406  -4.732  -0.774
  163    HA   CYS  23           HA       CYS  23   1.668  -2.947   0.545
  164    HB2  CYS  23           HB2      CYS  23   2.977  -2.402  -1.565
  165    HB3  CYS  23           HB3      CYS  23   1.785  -3.350  -2.457
  166    H    TYR  24           H        TYR  24   1.023  -5.598  -1.713
  167    HA   TYR  24           HA       TYR  24  -1.771  -5.354  -1.672
  168    HB2  TYR  24           HB2      TYR  24  -0.596  -6.732  -3.349
  169    HB3  TYR  24           HB3      TYR  24  -0.103  -7.860  -2.075
  170    HD1  TYR  24           HD1      TYR  24  -3.070  -6.470  -3.819
  171    HD2  TYR  24           HD2      TYR  24  -1.523  -9.610  -1.407
  172    HE1  TYR  24           HE1      TYR  24  -5.150  -7.728  -4.133
  173    HE2  TYR  24           HE2      TYR  24  -3.599 -10.879  -1.718
  174    HH   TYR  24           HH       TYR  24  -5.946 -10.024  -4.042
  175    H    GLN  25           H        GLN  25   0.456  -7.098   0.479
  176    HA   GLN  25           HA       GLN  25  -1.655  -8.626   1.642
  177    HB2  GLN  25           HB2      GLN  25  -0.021  -9.811   2.691
  178    HB3  GLN  25           HB3      GLN  25   1.056  -8.940   1.609
  179    HG2  GLN  25           HG2      GLN  25   1.667  -7.401   3.311
  180    HG3  GLN  25           HG3      GLN  25   0.361  -7.948   4.363
  181   HE21  GLN  25          HE21      GLN  25   3.197  -7.833   4.934
  182   HE22  GLN  25          HE22      GLN  25   3.683  -9.455   5.310
  183    H    MET  26           H        MET  26  -0.343  -5.495   2.269
  184    HA   MET  26           HA       MET  26  -1.665  -5.328   4.848
  185    HB2  MET  26           HB2      MET  26   0.426  -4.197   4.769
  186    HB3  MET  26           HB3      MET  26   0.019  -3.414   3.251
  187    HG2  MET  26           HG2      MET  26  -1.706  -2.089   4.424
  188    HG3  MET  26           HG3      MET  26  -1.207  -2.833   5.943
  189    HE1  MET  26           HE1      MET  26   1.644  -0.192   3.440
  190    HE2  MET  26           HE2      MET  26   0.101  -0.808   2.845
  191    HE3  MET  26           HE3      MET  26   1.444  -1.914   3.135
  192    H    CYS  27           H        CYS  27  -2.005  -3.885   1.607
  193    HA   CYS  27           HA       CYS  27  -4.223  -2.270   2.513
  194    HB2  CYS  27           HB2      CYS  27  -3.176  -2.600  -0.316
  195    HB3  CYS  27           HB3      CYS  27  -4.235  -1.314   0.293
  196    H    SER  28           H        SER  28  -3.929  -5.388   0.976
  197    HA   SER  28           HA       SER  28  -6.374  -5.360  -0.394
  198    HB2  SER  28           HB2      SER  28  -6.250  -7.845  -0.379
  199    HB3  SER  28           HB3      SER  28  -4.783  -7.053  -0.962
  200    HG   SER  28           HG       SER  28  -3.741  -7.608   0.861
  201    HA   PRO  29           HA       PRO  29  -8.412  -7.240   3.685
  202    HB2  PRO  29           HB2      PRO  29  -6.742  -5.667   5.592
  203    HB3  PRO  29           HB3      PRO  29  -7.489  -7.264   5.803
  204    HG2  PRO  29           HG2      PRO  29  -4.883  -7.101   5.365
  205    HG3  PRO  29           HG3      PRO  29  -5.848  -8.349   4.532
  206    HD2  PRO  29           HD2      PRO  29  -4.796  -5.736   3.465
  207    HD3  PRO  29           HD3      PRO  29  -4.860  -7.336   2.682
  208    H    LEU  30           H        LEU  30  -7.080  -4.090   3.142
  209    HA   LEU  30           HA       LEU  30  -9.226  -2.635   4.419
  210    HB2  LEU  30           HB2      LEU  30  -6.788  -1.874   4.184
  211    HB3  LEU  30           HB3      LEU  30  -7.149  -1.595   2.473
  212    HG   LEU  30           HG       LEU  30  -8.411  -0.147   4.830
  213   HD11  LEU  30          HD11      LEU  30  -6.097   0.489   4.452
  214   HD12  LEU  30          HD12      LEU  30  -7.174   1.786   3.935
  215   HD13  LEU  30          HD13      LEU  30  -6.423   0.733   2.736
  216   HD21  LEU  30          HD21      LEU  30  -9.466   1.295   3.187
  217   HD22  LEU  30          HD22      LEU  30  -9.969  -0.377   2.923
  218   HD23  LEU  30          HD23      LEU  30  -8.761   0.359   1.868
  219    H    GLU  31           H        GLU  31  -8.016  -2.951   1.112
  220    HA   GLU  31           HA       GLU  31 -10.154  -1.567  -0.092
  221    HB2  GLU  31           HB2      GLU  31  -7.860  -1.910  -1.069
  222    HB3  GLU  31           HB3      GLU  31  -8.314  -3.587  -1.394
  223    HG2  GLU  31           HG2      GLU  31  -9.936  -1.316  -2.508
  224    HG3  GLU  31           HG3      GLU  31  -8.455  -1.859  -3.305
  225    H    ARG  32           H        ARG  32  -9.548  -5.026   0.338
  226    HA   ARG  32           HA       ARG  32 -12.318  -5.491  -0.549
  227    HB2  ARG  32           HB2      ARG  32 -10.548  -6.406  -2.115
  228    HB3  ARG  32           HB3      ARG  32 -10.008  -7.447  -0.793
  229    HG2  ARG  32           HG2      ARG  32 -11.401  -8.729  -2.295
  230    HG3  ARG  32           HG3      ARG  32 -12.233  -8.527  -0.752
  231    HD2  ARG  32           HD2      ARG  32 -13.455  -8.173  -3.079
  232    HD3  ARG  32           HD3      ARG  32 -13.879  -7.230  -1.655
  233    HE   ARG  32           HE       ARG  32 -11.935  -5.753  -2.891
  234   HH11  ARG  32          HH11      ARG  32 -14.991  -7.111  -3.933
  235   HH12  ARG  32          HH12      ARG  32 -15.316  -5.834  -5.059
  236   HH21  ARG  32          HH21      ARG  32 -12.375  -4.052  -4.337
  237   HH22  ARG  32          HH22      ARG  32 -13.830  -4.101  -5.294
  238    H    SER  33           H        SER  33 -12.959  -5.150   1.621
  239    HA   SER  33           HA       SER  33 -12.076  -7.155   3.567
  240    HB2  SER  33           HB2      SER  33 -13.502  -5.605   5.125
  241    HB3  SER  33           HB3      SER  33 -11.925  -5.037   4.571
  242    HG   SER  33           HG       SER  33 -13.065  -3.378   3.938
  Start of MODEL   30
    1    HA   ALA   1           HA       ALA   1 -16.852  -0.297   0.305
    2    HB1  ALA   1           HB1      ALA   1 -14.476  -2.052   0.899
    3    HB2  ALA   1           HB2      ALA   1 -16.117  -2.613   0.580
    4    HB3  ALA   1           HB3      ALA   1 -15.778  -1.649   2.016
    5    H    SER   2           H        SER   2 -13.343  -0.014  -0.242
    6    HA   SER   2           HA       SER   2 -13.435   2.651   0.948
    7    HB2  SER   2           HB2      SER   2 -11.690   0.447   2.108
    8    HB3  SER   2           HB3      SER   2 -11.523   2.153   2.504
    9    HG   SER   2           HG       SER   2 -14.094   1.377   2.784
   10    HA   PRO   3           HA       PRO   3 -10.594   1.598  -2.757
   11    HB2  PRO   3           HB2      PRO   3 -11.952   3.994  -3.874
   12    HB3  PRO   3           HB3      PRO   3 -11.565   2.441  -4.649
   13    HG2  PRO   3           HG2      PRO   3 -14.063   3.028  -3.944
   14    HG3  PRO   3           HG3      PRO   3 -13.413   1.385  -3.762
   15    HD2  PRO   3           HD2      PRO   3 -13.866   3.473  -1.635
   16    HD3  PRO   3           HD3      PRO   3 -14.091   1.699  -1.559
   17    H    GLN   4           H        GLN   4 -11.433   4.934  -1.708
   18    HA   GLN   4           HA       GLN   4  -9.055   6.044  -2.730
   19    HB2  GLN   4           HB2      GLN   4 -10.985   7.102  -0.670
   20    HB3  GLN   4           HB3      GLN   4  -9.583   8.010  -1.213
   21    HG2  GLN   4           HG2      GLN   4 -10.494   7.789  -3.567
   22    HG3  GLN   4           HG3      GLN   4 -11.975   7.169  -2.843
   23   HE21  GLN   4          HE21      GLN   4 -11.705   8.934  -0.495
   24   HE22  GLN   4          HE22      GLN   4 -12.151  10.511  -1.053
   25    H    GLN   5           H        GLN   5  -9.910   5.156   0.597
   26    HA   GLN   5           HA       GLN   5  -7.480   5.903   1.762
   27    HB2  GLN   5           HB2      GLN   5  -9.426   3.740   2.564
   28    HB3  GLN   5           HB3      GLN   5  -8.033   4.187   3.531
   29    HG2  GLN   5           HG2      GLN   5  -9.855   5.322   4.489
   30    HG3  GLN   5           HG3      GLN   5  -8.974   6.538   3.570
   31   HE21  GLN   5          HE21      GLN   5 -11.067   4.128   2.122
   32   HE22  GLN   5          HE22      GLN   5 -12.291   5.236   1.602
   33    H    ALA   6           H        ALA   6  -8.458   2.896   0.216
   34    HA   ALA   6           HA       ALA   6  -6.097   1.467   0.829
   35    HB1  ALA   6           HB1      ALA   6  -6.808  -0.137  -0.805
   36    HB2  ALA   6           HB2      ALA   6  -7.916   1.028  -1.525
   37    HB3  ALA   6           HB3      ALA   6  -8.218   0.414   0.101
   38    H    LYS   7           H        LYS   7  -7.072   3.459  -1.907
   39    HA   LYS   7           HA       LYS   7  -4.785   3.009  -3.490
   40    HB2  LYS   7           HB2      LYS   7  -6.877   4.012  -4.351
   41    HB3  LYS   7           HB3      LYS   7  -6.566   5.455  -3.400
   42    HG2  LYS   7           HG2      LYS   7  -5.972   5.794  -5.729
   43    HG3  LYS   7           HG3      LYS   7  -4.536   5.890  -4.677
   44    HD2  LYS   7           HD2      LYS   7  -3.904   3.614  -5.288
   45    HD3  LYS   7           HD3      LYS   7  -5.375   3.429  -6.251
   46    HE2  LYS   7           HE2      LYS   7  -3.128   5.380  -6.789
   47    HE3  LYS   7           HE3      LYS   7  -3.443   3.898  -7.690
   48    HZ1  LYS   7           HZ1      LYS   7  -5.603   4.832  -8.329
   49    HZ2  LYS   7           HZ2      LYS   7  -4.313   5.774  -8.873
   50    HZ3  LYS   7           HZ3      LYS   7  -5.216   6.278  -7.538
   51    H    TYR   8           H        TYR   8  -5.464   5.258  -0.868
   52    HA   TYR   8           HA       TYR   8  -3.128   6.820  -1.145
   53    HB2  TYR   8           HB2      TYR   8  -5.096   7.477   0.250
   54    HB3  TYR   8           HB3      TYR   8  -4.634   6.229   1.412
   55    HD1  TYR   8           HD1      TYR   8  -2.895   6.604   2.995
   56    HD2  TYR   8           HD2      TYR   8  -3.567   9.399  -0.136
   57    HE1  TYR   8           HE1      TYR   8  -1.369   8.187   4.092
   58    HE2  TYR   8           HE2      TYR   8  -2.052  10.995   0.953
   59    HH   TYR   8           HH       TYR   8  -1.114  11.476   3.102
   60    H    CYS   9           H        CYS   9  -3.860   3.920   0.751
   61    HA   CYS   9           HA       CYS   9  -1.352   3.614   1.964
   62    HB2  CYS   9           HB2      CYS   9  -3.221   2.245   2.696
   63    HB3  CYS   9           HB3      CYS   9  -3.349   1.495   1.099
   64    H    TYR  10           H        TYR  10  -2.594   2.218  -1.061
   65    HA   TYR  10           HA       TYR  10  -0.228   0.890  -1.785
   66    HB2  TYR  10           HB2      TYR  10  -2.637   1.821  -3.330
   67    HB3  TYR  10           HB3      TYR  10  -1.237   1.156  -4.178
   68    HD1  TYR  10           HD1      TYR  10  -0.583  -1.167  -3.854
   69    HD2  TYR  10           HD2      TYR  10  -4.090   0.394  -2.027
   70    HE1  TYR  10           HE1      TYR  10  -1.381  -3.441  -3.448
   71    HE2  TYR  10           HE2      TYR  10  -4.893  -1.882  -1.612
   72    HH   TYR  10           HH       TYR  10  -4.585  -4.128  -2.480
   73    H    GLU  11           H        GLU  11  -1.196   4.211  -2.148
   74    HA   GLU  11           HA       GLU  11   0.792   4.981  -4.003
   75    HB2  GLU  11           HB2      GLU  11  -1.226   6.346  -3.418
   76    HB3  GLU  11           HB3      GLU  11  -0.481   6.659  -1.835
   77    HG2  GLU  11           HG2      GLU  11  -0.206   8.517  -3.426
   78    HG3  GLU  11           HG3      GLU  11   1.334   7.838  -2.850
   79    H    GLN  12           H        GLN  12   0.648   5.333  -0.454
   80    HA   GLN  12           HA       GLN  12   3.334   6.343  -0.413
   81    HB2  GLN  12           HB2      GLN  12   1.375   5.767   1.804
   82    HB3  GLN  12           HB3      GLN  12   2.946   6.506   2.046
   83    HG2  GLN  12           HG2      GLN  12   0.821   7.630   0.256
   84    HG3  GLN  12           HG3      GLN  12   1.042   8.093   1.939
   85   HE21  GLN  12          HE21      GLN  12   2.328   8.253  -1.266
   86   HE22  GLN  12          HE22      GLN  12   3.495   9.498  -0.965
   87    H    CYS  13           H        CYS  13   1.924   3.199   0.015
   88    HA   CYS  13           HA       CYS  13   3.669   2.146   1.936
   89    HB2  CYS  13           HB2      CYS  13   2.998  -0.076   1.127
   90    HB3  CYS  13           HB3      CYS  13   1.595   0.993   1.239
   91    H    ASN  14           H        ASN  14   3.928   1.827  -1.626
   92    HA   ASN  14           HA       ASN  14   6.530   0.680  -1.502
   93    HB2  ASN  14           HB2      ASN  14   6.645   1.186  -3.940
   94    HB3  ASN  14           HB3      ASN  14   5.175   0.345  -3.480
   95   HD21  ASN  14          HD21      ASN  14   6.485   3.494  -4.443
   96   HD22  ASN  14          HD22      ASN  14   4.961   4.153  -4.939
   97    H    VAL  15           H        VAL  15   5.372   3.942  -1.494
   98    HA   VAL  15           HA       VAL  15   7.798   5.222  -2.204
   99    HB   VAL  15           HB       VAL  15   5.370   6.225  -0.712
  100   HG11  VAL  15          HG11      VAL  15   7.738   7.823  -1.690
  101   HG12  VAL  15          HG12      VAL  15   7.335   7.505  -0.004
  102   HG13  VAL  15          HG13      VAL  15   6.258   8.486  -0.998
  103   HG21  VAL  15          HG21      VAL  15   6.370   6.756  -3.515
  104   HG22  VAL  15          HG22      VAL  15   4.902   7.416  -2.794
  105   HG23  VAL  15          HG23      VAL  15   5.038   5.683  -3.088
  106    H    ASN  16           H        ASN  16   6.335   4.313   0.908
  107    HA   ASN  16           HA       ASN  16   8.416   5.493   2.477
  108    HB2  ASN  16           HB2      ASN  16   6.492   3.258   3.224
  109    HB3  ASN  16           HB3      ASN  16   7.494   4.180   4.349
  110   HD21  ASN  16          HD21      ASN  16   7.024   6.691   2.885
  111   HD22  ASN  16          HD22      ASN  16   5.409   7.160   3.301
  112    H    LYS  17           H        LYS  17   7.627   2.032   2.443
  113    HA   LYS  17           HA       LYS  17   9.788   1.120   1.021
  114    HB2  LYS  17           HB2      LYS  17  11.347   0.257   2.683
  115    HB3  LYS  17           HB3      LYS  17  11.220   2.013   2.805
  116    HG2  LYS  17           HG2      LYS  17   9.798   0.071   4.638
  117    HG3  LYS  17           HG3      LYS  17  11.370   0.793   4.986
  118    HD2  LYS  17           HD2      LYS  17  10.376   3.035   4.892
  119    HD3  LYS  17           HD3      LYS  17   8.781   2.334   4.552
  120    HE2  LYS  17           HE2      LYS  17   8.904   2.870   6.893
  121    HE3  LYS  17           HE3      LYS  17   8.951   1.116   6.732
  122    HZ1  LYS  17           HZ1      LYS  17  11.349   1.196   7.017
  123    HZ2  LYS  17           HZ2      LYS  17  10.566   1.903   8.338
  124    HZ3  LYS  17           HZ3      LYS  17  11.299   2.879   7.167
  125    H    VAL  18           H        VAL  18   7.887  -0.136   0.359
  126    HA   VAL  18           HA       VAL  18   7.999  -2.682   1.739
  127    HB   VAL  18           HB       VAL  18   5.817  -3.002   2.320
  128   HG11  VAL  18          HG11      VAL  18   5.766   0.013   2.322
  129   HG12  VAL  18          HG12      VAL  18   6.456  -1.015   3.576
  130   HG13  VAL  18          HG13      VAL  18   4.722  -1.057   3.260
  131   HG21  VAL  18          HG21      VAL  18   4.907  -1.105   0.163
  132   HG22  VAL  18          HG22      VAL  18   3.865  -2.109   1.178
  133   HG23  VAL  18          HG23      VAL  18   4.992  -2.864   0.044
  134    HA   PRO  19           HA       PRO  19   7.917  -4.043  -2.544
  135    HB2  PRO  19           HB2      PRO  19   6.960  -6.593  -1.416
  136    HB3  PRO  19           HB3      PRO  19   8.413  -6.269  -2.377
  137    HG2  PRO  19           HG2      PRO  19   8.554  -6.834   0.249
  138    HG3  PRO  19           HG3      PRO  19   9.676  -5.712  -0.543
  139    HD2  PRO  19           HD2      PRO  19   7.316  -5.102   1.199
  140    HD3  PRO  19           HD3      PRO  19   8.896  -4.288   1.084
  141    H    PHE  20           H        PHE  20   6.291  -4.536  -4.108
  142    HA   PHE  20           HA       PHE  20   3.753  -3.520  -3.579
  143    HB2  PHE  20           HB2      PHE  20   4.716  -3.726  -5.855
  144    HB3  PHE  20           HB3      PHE  20   4.479  -5.467  -5.781
  145    HD1  PHE  20           HD1      PHE  20   2.332  -6.445  -6.121
  146    HD2  PHE  20           HD2      PHE  20   2.783  -2.217  -5.956
  147    HE1  PHE  20           HE1      PHE  20   0.055  -6.172  -7.010
  148    HE2  PHE  20           HE2      PHE  20   0.504  -1.937  -6.842
  149    HZ   PHE  20           HZ       PHE  20  -0.862  -3.916  -7.371
  150    H    ASP  21           H        ASP  21   4.819  -6.908  -3.632
  151    HA   ASP  21           HA       ASP  21   2.260  -8.045  -3.313
  152    HB2  ASP  21           HB2      ASP  21   3.357 -10.104  -2.800
  153    HB3  ASP  21           HB3      ASP  21   4.333  -9.295  -4.021
  154    H    GLN  22           H        GLN  22   4.569  -6.775  -0.997
  155    HA   GLN  22           HA       GLN  22   3.156  -7.677   1.309
  156    HB2  GLN  22           HB2      GLN  22   5.532  -7.025   1.424
  157    HB3  GLN  22           HB3      GLN  22   5.097  -5.365   1.030
  158    HG2  GLN  22           HG2      GLN  22   3.677  -5.348   3.093
  159    HG3  GLN  22           HG3      GLN  22   4.391  -6.912   3.506
  160   HE21  GLN  22          HE21      GLN  22   4.518  -4.374   4.919
  161   HE22  GLN  22          HE22      GLN  22   6.201  -4.000   5.083
  162    H    CYS  23           H        CYS  23   3.130  -4.729  -0.647
  163    HA   CYS  23           HA       CYS  23   1.379  -3.242   1.007
  164    HB2  CYS  23           HB2      CYS  23   2.744  -2.328  -0.963
  165    HB3  CYS  23           HB3      CYS  23   1.491  -2.998  -2.011
  166    H    TYR  24           H        TYR  24   0.817  -5.453  -1.677
  167    HA   TYR  24           HA       TYR  24  -1.991  -5.309  -1.724
  168    HB2  TYR  24           HB2      TYR  24  -0.338  -6.466  -3.390
  169    HB3  TYR  24           HB3      TYR  24  -0.475  -7.854  -2.300
  170    HD1  TYR  24           HD1      TYR  24  -2.021  -5.987  -4.951
  171    HD2  TYR  24           HD2      TYR  24  -2.736  -8.869  -1.910
  172    HE1  TYR  24           HE1      TYR  24  -4.091  -6.657  -6.084
  173    HE2  TYR  24           HE2      TYR  24  -4.811  -9.545  -3.030
  174    HH   TYR  24           HH       TYR  24  -6.443  -8.623  -4.603
  175    H    GLN  25           H        GLN  25   0.256  -7.078   0.289
  176    HA   GLN  25           HA       GLN  25  -1.580  -9.010   1.255
  177    HB2  GLN  25           HB2      GLN  25   0.922  -9.238   1.229
  178    HB3  GLN  25           HB3      GLN  25   1.009  -8.017   2.490
  179    HG2  GLN  25           HG2      GLN  25  -0.206  -9.489   4.015
  180    HG3  GLN  25           HG3      GLN  25  -0.317 -10.711   2.748
  181   HE21  GLN  25          HE21      GLN  25   1.776  -9.091   4.989
  182   HE22  GLN  25          HE22      GLN  25   3.110 -10.190   4.842
  183    H    MET  26           H        MET  26  -0.582  -5.825   2.317
  184    HA   MET  26           HA       MET  26  -1.968  -6.108   4.845
  185    HB2  MET  26           HB2      MET  26   0.117  -5.004   5.023
  186    HB3  MET  26           HB3      MET  26  -0.223  -3.982   3.638
  187    HG2  MET  26           HG2      MET  26  -1.976  -2.832   4.960
  188    HG3  MET  26           HG3      MET  26  -1.512  -3.805   6.357
  189    HE1  MET  26           HE1      MET  26  -0.120  -1.323   3.635
  190    HE2  MET  26           HE2      MET  26   1.201  -2.485   3.760
  191    HE3  MET  26           HE3      MET  26   1.420  -0.840   4.346
  192    H    CYS  27           H        CYS  27  -2.254  -4.052   1.922
  193    HA   CYS  27           HA       CYS  27  -4.617  -2.875   3.196
  194    HB2  CYS  27           HB2      CYS  27  -2.781  -1.795   1.057
  195    HB3  CYS  27           HB3      CYS  27  -4.336  -1.038   1.472
  196    H    SER  28           H        SER  28  -4.132  -5.276   0.962
  197    HA   SER  28           HA       SER  28  -6.337  -4.681  -0.710
  198    HB2  SER  28           HB2      SER  28  -4.752  -6.496  -1.279
  199    HB3  SER  28           HB3      SER  28  -5.410  -7.453   0.057
  200    HG   SER  28           HG       SER  28  -6.763  -8.116  -1.405
  201    HA   PRO  29           HA       PRO  29  -9.017  -7.016   2.696
  202    HB2  PRO  29           HB2      PRO  29  -7.296  -6.357   5.037
  203    HB3  PRO  29           HB3      PRO  29  -8.306  -7.789   4.748
  204    HG2  PRO  29           HG2      PRO  29  -5.677  -7.982   4.494
  205    HG3  PRO  29           HG3      PRO  29  -6.748  -8.763   3.301
  206    HD2  PRO  29           HD2      PRO  29  -5.204  -6.188   3.066
  207    HD3  PRO  29           HD3      PRO  29  -5.428  -7.486   1.869
  208    H    LEU  30           H        LEU  30  -7.136  -4.128   3.090
  209    HA   LEU  30           HA       LEU  30  -8.850  -2.617   4.730
  210    HB2  LEU  30           HB2      LEU  30  -6.469  -2.053   3.997
  211    HB3  LEU  30           HB3      LEU  30  -7.159  -1.573   2.438
  212    HG   LEU  30           HG       LEU  30  -7.853  -0.267   5.092
  213   HD11  LEU  30          HD11      LEU  30  -6.432   1.600   4.209
  214   HD12  LEU  30          HD12      LEU  30  -5.858   0.491   2.964
  215   HD13  LEU  30          HD13      LEU  30  -5.540   0.148   4.662
  216   HD21  LEU  30          HD21      LEU  30  -8.335   0.672   2.259
  217   HD22  LEU  30          HD22      LEU  30  -8.821   1.494   3.742
  218   HD23  LEU  30          HD23      LEU  30  -9.559  -0.050   3.303
  219    H    GLU  31           H        GLU  31  -8.670  -3.054   1.246
  220    HA   GLU  31           HA       GLU  31 -11.012  -1.418   0.784
  221    HB2  GLU  31           HB2      GLU  31  -8.889  -1.825  -0.765
  222    HB3  GLU  31           HB3      GLU  31  -9.853  -3.200  -1.320
  223    HG2  GLU  31           HG2      GLU  31 -10.711  -0.298  -1.399
  224    HG3  GLU  31           HG3      GLU  31 -10.129  -1.250  -2.772
  225    H    ARG  32           H        ARG  32 -10.235  -4.716  -0.259
  226    HA   ARG  32           HA       ARG  32 -12.666  -5.803   0.862
  227    HB2  ARG  32           HB2      ARG  32 -12.290  -5.469  -2.117
  228    HB3  ARG  32           HB3      ARG  32 -13.314  -6.751  -1.465
  229    HG2  ARG  32           HG2      ARG  32 -14.791  -5.096  -0.445
  230    HG3  ARG  32           HG3      ARG  32 -13.710  -3.790  -0.938
  231    HD2  ARG  32           HD2      ARG  32 -15.758  -4.113  -2.358
  232    HD3  ARG  32           HD3      ARG  32 -14.231  -4.105  -3.233
  233    HE   ARG  32           HE       ARG  32 -15.475  -6.659  -2.472
  234   HH11  ARG  32          HH11      ARG  32 -14.396  -4.433  -4.951
  235   HH12  ARG  32          HH12      ARG  32 -14.567  -5.584  -6.235
  236   HH21  ARG  32          HH21      ARG  32 -15.713  -8.170  -4.165
  237   HH22  ARG  32          HH22      ARG  32 -15.329  -7.704  -5.793
  238    H    SER  33           H        SER  33 -12.155  -7.772   1.569
  239    HA   SER  33           HA       SER  33 -10.828  -9.646  -0.180
  240    HB2  SER  33           HB2      SER  33  -9.575  -8.916   2.487
  241    HB3  SER  33           HB3      SER  33  -9.157 -10.354   1.562
  242    HG   SER  33           HG       SER  33  -9.080  -7.977   0.152
  Start of MODEL   31
    1    HA   ALA   1           HA       ALA   1 -15.936  -0.067   0.100
    2    HB1  ALA   1           HB1      ALA   1 -12.993  -0.716   0.107
    3    HB2  ALA   1           HB2      ALA   1 -14.298  -1.882   0.335
    4    HB3  ALA   1           HB3      ALA   1 -14.046  -0.598   1.516
    5    H    SER   2           H        SER   2 -12.932   1.191  -1.330
    6    HA   SER   2           HA       SER   2 -13.646   3.915  -0.981
    7    HB2  SER   2           HB2      SER   2 -13.191   3.261   1.434
    8    HB3  SER   2           HB3      SER   2 -11.528   2.916   0.954
    9    HG   SER   2           HG       SER   2 -12.363   5.183   1.755
   10    HA   PRO   3           HA       PRO   3 -10.499   2.466  -4.163
   11    HB2  PRO   3           HB2      PRO   3 -11.768   4.874  -5.411
   12    HB3  PRO   3           HB3      PRO   3 -11.259   3.345  -6.167
   13    HG2  PRO   3           HG2      PRO   3 -13.810   3.740  -5.672
   14    HG3  PRO   3           HG3      PRO   3 -13.073   2.170  -5.283
   15    HD2  PRO   3           HD2      PRO   3 -13.817   4.412  -3.409
   16    HD3  PRO   3           HD3      PRO   3 -13.954   2.638  -3.185
   17    H    GLN   4           H        GLN   4 -11.158   5.793  -3.104
   18    HA   GLN   4           HA       GLN   4  -8.619   6.749  -4.018
   19    HB2  GLN   4           HB2      GLN   4 -10.745   7.998  -2.280
   20    HB3  GLN   4           HB3      GLN   4  -9.250   8.824  -2.696
   21    HG2  GLN   4           HG2      GLN   4  -9.806   8.774  -5.044
   22    HG3  GLN   4           HG3      GLN   4 -11.228   7.784  -4.728
   23   HE21  GLN   4          HE21      GLN   4 -11.993   9.257  -2.345
   24   HE22  GLN   4          HE22      GLN   4 -12.627  10.769  -2.896
   25    H    GLN   5           H        GLN   5  -9.948   6.000  -0.816
   26    HA   GLN   5           HA       GLN   5  -7.553   6.650   0.561
   27    HB2  GLN   5           HB2      GLN   5  -9.980   5.064   1.330
   28    HB3  GLN   5           HB3      GLN   5  -8.584   5.156   2.390
   29    HG2  GLN   5           HG2      GLN   5 -10.085   7.559   1.362
   30    HG3  GLN   5           HG3      GLN   5 -10.376   6.799   2.927
   31   HE21  GLN   5          HE21      GLN   5  -7.550   6.204   3.370
   32   HE22  GLN   5          HE22      GLN   5  -6.798   7.717   3.760
   33    H    ALA   6           H        ALA   6  -8.802   3.720  -0.883
   34    HA   ALA   6           HA       ALA   6  -6.823   1.957   0.078
   35    HB1  ALA   6           HB1      ALA   6  -8.766   0.999  -0.897
   36    HB2  ALA   6           HB2      ALA   6  -7.412   0.587  -1.954
   37    HB3  ALA   6           HB3      ALA   6  -8.517   1.879  -2.402
   38    H    LYS   7           H        LYS   7  -6.965   4.043  -2.777
   39    HA   LYS   7           HA       LYS   7  -4.542   3.163  -3.925
   40    HB2  LYS   7           HB2      LYS   7  -6.251   4.512  -5.141
   41    HB3  LYS   7           HB3      LYS   7  -5.803   5.903  -4.165
   42    HG2  LYS   7           HG2      LYS   7  -4.759   6.016  -6.348
   43    HG3  LYS   7           HG3      LYS   7  -3.531   5.828  -5.068
   44    HD2  LYS   7           HD2      LYS   7  -3.435   3.400  -5.554
   45    HD3  LYS   7           HD3      LYS   7  -4.617   3.616  -6.850
   46    HE2  LYS   7           HE2      LYS   7  -1.848   4.822  -6.718
   47    HE3  LYS   7           HE3      LYS   7  -2.363   3.512  -7.779
   48    HZ1  LYS   7           HZ1      LYS   7  -3.359   6.310  -7.844
   49    HZ2  LYS   7           HZ2      LYS   7  -3.903   5.058  -8.842
   50    HZ3  LYS   7           HZ3      LYS   7  -2.305   5.599  -8.958
   51    H    TYR   8           H        TYR   8  -5.304   5.586  -1.504
   52    HA   TYR   8           HA       TYR   8  -2.741   6.729  -1.270
   53    HB2  TYR   8           HB2      TYR   8  -4.797   7.742  -0.318
   54    HB3  TYR   8           HB3      TYR   8  -4.868   6.432   0.862
   55    HD1  TYR   8           HD1      TYR   8  -2.672   9.193  -0.307
   56    HD2  TYR   8           HD2      TYR   8  -3.803   6.662   2.920
   57    HE1  TYR   8           HE1      TYR   8  -1.265  10.515   1.215
   58    HE2  TYR   8           HE2      TYR   8  -2.400   7.976   4.450
   59    HH   TYR   8           HH       TYR   8  -1.093  11.007   3.595
   60    H    CYS   9           H        CYS   9  -4.304   4.021   0.351
   61    HA   CYS   9           HA       CYS   9  -2.339   3.357   2.210
   62    HB2  CYS   9           HB2      CYS   9  -4.586   2.351   2.176
   63    HB3  CYS   9           HB3      CYS   9  -4.197   1.504   0.674
   64    H    TYR  10           H        TYR  10  -2.744   2.173  -1.120
   65    HA   TYR  10           HA       TYR  10  -0.396   0.571  -1.062
   66    HB2  TYR  10           HB2      TYR  10  -2.129   1.562  -3.341
   67    HB3  TYR  10           HB3      TYR  10  -0.731   0.505  -3.574
   68    HD1  TYR  10           HD1      TYR  10  -0.715  -1.682  -2.225
   69    HD2  TYR  10           HD2      TYR  10  -4.233   0.609  -2.903
   70    HE1  TYR  10           HE1      TYR  10  -2.080  -3.652  -1.795
   71    HE2  TYR  10           HE2      TYR  10  -5.608  -1.372  -2.471
   72    HH   TYR  10           HH       TYR  10  -5.303  -3.885  -2.610
   73    H    GLU  11           H        GLU  11  -1.067   3.870  -2.087
   74    HA   GLU  11           HA       GLU  11   1.361   4.332  -3.429
   75    HB2  GLU  11           HB2      GLU  11  -0.579   5.797  -3.720
   76    HB3  GLU  11           HB3      GLU  11  -0.478   6.291  -2.017
   77    HG2  GLU  11           HG2      GLU  11   1.680   7.338  -2.443
   78    HG3  GLU  11           HG3      GLU  11   1.588   6.834  -4.147
   79    H    GLN  12           H        GLN  12   0.434   4.755  -0.017
   80    HA   GLN  12           HA       GLN  12   2.865   6.060   0.680
   81    HB2  GLN  12           HB2      GLN  12   0.849   4.679   2.458
   82    HB3  GLN  12           HB3      GLN  12   2.175   5.681   3.009
   83    HG2  GLN  12           HG2      GLN  12  -0.113   6.570   1.303
   84    HG3  GLN  12           HG3      GLN  12   0.107   6.902   3.013
   85   HE21  GLN  12          HE21      GLN  12   1.056   7.674  -0.196
   86   HE22  GLN  12          HE22      GLN  12   1.985   9.087   0.186
   87    H    CYS  13           H        CYS  13   1.983   2.773   0.218
   88    HA   CYS  13           HA       CYS  13   3.867   1.529   1.871
   89    HB2  CYS  13           HB2      CYS  13   2.490   0.668  -0.667
   90    HB3  CYS  13           HB3      CYS  13   3.774  -0.322   0.037
   91    H    ASN  14           H        ASN  14   4.196   2.376  -1.615
   92    HA   ASN  14           HA       ASN  14   6.951   1.611  -1.611
   93    HB2  ASN  14           HB2      ASN  14   7.016   2.627  -3.878
   94    HB3  ASN  14           HB3      ASN  14   5.691   1.492  -3.674
   95   HD21  ASN  14          HD21      ASN  14   6.512   4.913  -3.949
   96   HD22  ASN  14          HD22      ASN  14   4.909   5.430  -4.351
   97    H    VAL  15           H        VAL  15   5.227   4.565  -0.988
   98    HA   VAL  15           HA       VAL  15   7.307   6.412  -1.198
   99    HB   VAL  15           HB       VAL  15   4.891   6.366   0.612
  100   HG11  VAL  15          HG11      VAL  15   5.331   8.728   1.106
  101   HG12  VAL  15          HG12      VAL  15   6.854   8.630   0.221
  102   HG13  VAL  15          HG13      VAL  15   6.634   7.698   1.703
  103   HG21  VAL  15          HG21      VAL  15   4.427   6.608  -1.773
  104   HG22  VAL  15          HG22      VAL  15   5.562   7.953  -1.872
  105   HG23  VAL  15          HG23      VAL  15   4.086   8.116  -0.927
  106    H    ASN  16           H        ASN  16   6.421   4.254   1.485
  107    HA   ASN  16           HA       ASN  16   8.654   5.265   3.060
  108    HB2  ASN  16           HB2      ASN  16   6.600   3.096   3.588
  109    HB3  ASN  16           HB3      ASN  16   7.965   3.408   4.657
  110   HD21  ASN  16          HD21      ASN  16   4.945   4.693   3.442
  111   HD22  ASN  16          HD22      ASN  16   4.793   5.930   4.645
  112    H    LYS  17           H        LYS  17   7.790   1.866   2.490
  113    HA   LYS  17           HA       LYS  17   9.691   1.229   0.606
  114    HB2  LYS  17           HB2      LYS  17  11.350   1.835   2.363
  115    HB3  LYS  17           HB3      LYS  17  10.690   0.539   3.375
  116    HG2  LYS  17           HG2      LYS  17  11.381  -1.136   1.802
  117    HG3  LYS  17           HG3      LYS  17  11.862   0.095   0.630
  118    HD2  LYS  17           HD2      LYS  17  13.621   0.885   2.093
  119    HD3  LYS  17           HD3      LYS  17  13.130  -0.252   3.369
  120    HE2  LYS  17           HE2      LYS  17  13.676  -2.128   1.892
  121    HE3  LYS  17           HE3      LYS  17  14.110  -1.007   0.606
  122    HZ1  LYS  17           HZ1      LYS  17  16.050  -1.847   1.769
  123    HZ2  LYS  17           HZ2      LYS  17  15.479  -1.216   3.230
  124    HZ3  LYS  17           HZ3      LYS  17  15.905  -0.173   1.967
  125    H    VAL  18           H        VAL  18   7.718   0.040   0.063
  126    HA   VAL  18           HA       VAL  18   7.987  -2.679   0.911
  127    HB   VAL  18           HB       VAL  18   6.451  -2.704   2.554
  128   HG11  VAL  18          HG11      VAL  18   6.543  -0.283   2.809
  129   HG12  VAL  18          HG12      VAL  18   4.909  -0.889   3.077
  130   HG13  VAL  18          HG13      VAL  18   5.319  -0.095   1.557
  131   HG21  VAL  18          HG21      VAL  18   4.119  -2.916   1.895
  132   HG22  VAL  18          HG22      VAL  18   5.168  -3.710   0.720
  133   HG23  VAL  18          HG23      VAL  18   4.471  -2.139   0.352
  134    HA   PRO  19           HA       PRO  19   6.929  -3.044  -3.414
  135    HB2  PRO  19           HB2      PRO  19   6.542  -5.886  -2.680
  136    HB3  PRO  19           HB3      PRO  19   7.610  -5.177  -3.905
  137    HG2  PRO  19           HG2      PRO  19   8.601  -6.173  -1.631
  138    HG3  PRO  19           HG3      PRO  19   9.284  -4.723  -2.390
  139    HD2  PRO  19           HD2      PRO  19   7.480  -4.928  -0.001
  140    HD3  PRO  19           HD3      PRO  19   8.855  -3.840  -0.311
  141    H    PHE  20           H        PHE  20   5.066  -3.541  -4.700
  142    HA   PHE  20           HA       PHE  20   2.632  -2.941  -3.520
  143    HB2  PHE  20           HB2      PHE  20   3.172  -2.743  -5.967
  144    HB3  PHE  20           HB3      PHE  20   2.931  -4.481  -6.105
  145    HD1  PHE  20           HD1      PHE  20   0.716  -5.447  -5.971
  146    HD2  PHE  20           HD2      PHE  20   1.312  -1.253  -5.569
  147    HE1  PHE  20           HE1      PHE  20  -1.695  -5.078  -6.296
  148    HE2  PHE  20           HE2      PHE  20  -1.098  -0.875  -5.888
  149    HZ   PHE  20           HZ       PHE  20  -2.606  -2.788  -6.251
  150    H    ASP  21           H        ASP  21   3.872  -6.165  -4.417
  151    HA   ASP  21           HA       ASP  21   1.522  -7.579  -3.778
  152    HB2  ASP  21           HB2      ASP  21   2.862  -9.592  -3.791
  153    HB3  ASP  21           HB3      ASP  21   3.387  -8.552  -5.110
  154    H    GLN  22           H        GLN  22   4.337  -6.735  -1.827
  155    HA   GLN  22           HA       GLN  22   3.442  -8.028   0.536
  156    HB2  GLN  22           HB2      GLN  22   5.788  -7.423   0.158
  157    HB3  GLN  22           HB3      GLN  22   5.363  -5.720   0.192
  158    HG2  GLN  22           HG2      GLN  22   6.292  -6.306   2.301
  159    HG3  GLN  22           HG3      GLN  22   4.555  -6.033   2.521
  160   HE21  GLN  22          HE21      GLN  22   4.486  -7.269   4.387
  161   HE22  GLN  22          HE22      GLN  22   4.598  -8.997   4.349
  162    H    CYS  23           H        CYS  23   2.963  -4.817  -0.843
  163    HA   CYS  23           HA       CYS  23   1.654  -3.681   1.404
  164    HB2  CYS  23           HB2      CYS  23   2.470  -2.411  -0.669
  165    HB3  CYS  23           HB3      CYS  23   1.014  -2.995  -1.476
  166    H    TYR  24           H        TYR  24   0.497  -5.567  -1.352
  167    HA   TYR  24           HA       TYR  24  -2.236  -5.558  -0.753
  168    HB2  TYR  24           HB2      TYR  24  -1.112  -6.527  -2.836
  169    HB3  TYR  24           HB3      TYR  24  -0.741  -7.951  -1.850
  170    HD1  TYR  24           HD1      TYR  24  -3.335  -6.098  -3.600
  171    HD2  TYR  24           HD2      TYR  24  -2.551  -9.408  -1.048
  172    HE1  TYR  24           HE1      TYR  24  -5.557  -7.009  -4.106
  173    HE2  TYR  24           HE2      TYR  24  -4.771 -10.326  -1.544
  174    HH   TYR  24           HH       TYR  24  -6.935  -9.609  -2.330
  175    H    GLN  25           H        GLN  25   0.414  -7.372   0.649
  176    HA   GLN  25           HA       GLN  25  -1.157  -9.308   1.967
  177    HB2  GLN  25           HB2      GLN  25   1.260  -9.614   1.613
  178    HB3  GLN  25           HB3      GLN  25   1.601  -8.219   2.633
  179    HG2  GLN  25           HG2      GLN  25   0.674  -9.397   4.565
  180    HG3  GLN  25           HG3      GLN  25   0.329 -10.794   3.550
  181   HE21  GLN  25          HE21      GLN  25   2.040 -10.508   5.913
  182   HE22  GLN  25          HE22      GLN  25   3.604 -11.065   5.420
  183    H    MET  26           H        MET  26   0.037  -6.116   2.911
  184    HA   MET  26           HA       MET  26  -1.139  -6.363   5.550
  185    HB2  MET  26           HB2      MET  26   1.007  -5.288   5.427
  186    HB3  MET  26           HB3      MET  26   0.434  -4.180   4.194
  187    HG2  MET  26           HG2      MET  26  -1.102  -3.177   5.864
  188    HG3  MET  26           HG3      MET  26  -0.398  -4.231   7.091
  189    HE1  MET  26           HE1      MET  26   1.635  -2.519   4.134
  190    HE2  MET  26           HE2      MET  26   2.035  -0.973   4.878
  191    HE3  MET  26           HE3      MET  26   0.357  -1.361   4.499
  192    H    CYS  27           H        CYS  27  -1.783  -4.615   2.546
  193    HA   CYS  27           HA       CYS  27  -3.856  -3.027   3.850
  194    HB2  CYS  27           HB2      CYS  27  -2.206  -2.118   2.058
  195    HB3  CYS  27           HB3      CYS  27  -3.250  -2.956   0.888
  196    H    SER  28           H        SER  28  -3.785  -6.073   2.576
  197    HA   SER  28           HA       SER  28  -6.017  -6.216   0.946
  198    HB2  SER  28           HB2      SER  28  -6.190  -8.629   1.785
  199    HB3  SER  28           HB3      SER  28  -4.679  -8.137   1.011
  200    HG   SER  28           HG       SER  28  -3.655  -8.411   2.830
  201    HA   PRO  29           HA       PRO  29  -8.767  -6.789   5.044
  202    HB2  PRO  29           HB2      PRO  29  -7.237  -4.718   6.558
  203    HB3  PRO  29           HB3      PRO  29  -8.155  -6.111   7.168
  204    HG2  PRO  29           HG2      PRO  29  -5.514  -6.236   7.095
  205    HG3  PRO  29           HG3      PRO  29  -6.483  -7.639   6.577
  206    HD2  PRO  29           HD2      PRO  29  -5.032  -5.609   4.899
  207    HD3  PRO  29           HD3      PRO  29  -5.199  -7.367   4.661
  208    H    LEU  30           H        LEU  30  -7.260  -3.997   3.628
  209    HA   LEU  30           HA       LEU  30  -9.546  -2.284   4.199
  210    HB2  LEU  30           HB2      LEU  30  -7.008  -1.605   4.195
  211    HB3  LEU  30           HB3      LEU  30  -7.234  -1.513   2.441
  212    HG   LEU  30           HG       LEU  30  -8.675   0.142   4.541
  213   HD11  LEU  30          HD11      LEU  30  -6.380   0.832   4.185
  214   HD12  LEU  30          HD12      LEU  30  -7.482   2.009   3.464
  215   HD13  LEU  30          HD13      LEU  30  -6.633   0.849   2.438
  216   HD21  LEU  30          HD21      LEU  30  -9.740   1.323   2.720
  217   HD22  LEU  30          HD22      LEU  30 -10.136  -0.393   2.606
  218   HD23  LEU  30          HD23      LEU  30  -8.923   0.306   1.534
  219    H    GLU  31           H        GLU  31  -7.675  -2.992   1.260
  220    HA   GLU  31           HA       GLU  31  -9.889  -2.169  -0.385
  221    HB2  GLU  31           HB2      GLU  31  -7.605  -1.632  -1.053
  222    HB3  GLU  31           HB3      GLU  31  -7.202  -3.350  -1.118
  223    HG2  GLU  31           HG2      GLU  31  -7.540  -2.493  -3.350
  224    HG3  GLU  31           HG3      GLU  31  -8.817  -3.646  -2.949
  225    H    ARG  32           H        ARG  32  -7.965  -5.158  -0.551
  226    HA   ARG  32           HA       ARG  32 -10.352  -6.780  -0.674
  227    HB2  ARG  32           HB2      ARG  32  -8.583  -6.322  -3.081
  228    HB3  ARG  32           HB3      ARG  32  -9.499  -7.818  -2.897
  229    HG2  ARG  32           HG2      ARG  32 -10.763  -5.065  -2.931
  230    HG3  ARG  32           HG3      ARG  32 -10.568  -6.069  -4.369
  231    HD2  ARG  32           HD2      ARG  32 -12.339  -6.505  -1.982
  232    HD3  ARG  32           HD3      ARG  32 -12.744  -6.505  -3.690
  233    HE   ARG  32           HE       ARG  32 -11.134  -8.617  -3.573
  234   HH11  ARG  32          HH11      ARG  32 -13.788  -7.658  -1.507
  235   HH12  ARG  32          HH12      ARG  32 -14.225  -9.286  -1.098
  236   HH21  ARG  32          HH21      ARG  32 -11.687 -10.757  -3.017
  237   HH22  ARG  32          HH22      ARG  32 -13.019 -11.050  -1.942
  238    H    SER  33           H        SER  33  -9.997  -8.830  -0.076
  239    HA   SER  33           HA       SER  33  -7.191  -9.658   0.286
  240    HB2  SER  33           HB2      SER  33  -9.635 -10.747   1.730
  241    HB3  SER  33           HB3      SER  33  -7.947 -11.115   2.082
  242    HG   SER  33           HG       SER  33  -8.607  -8.422   2.104
  Start of MODEL   32
    1    HA   ALA   1           HA       ALA   1 -15.158   1.127   2.553
    2    HB1  ALA   1           HB1      ALA   1 -17.399   2.189   0.833
    3    HB2  ALA   1           HB2      ALA   1 -17.155   0.499   1.268
    4    HB3  ALA   1           HB3      ALA   1 -15.966   1.331   0.269
    5    H    SER   2           H        SER   2 -13.873   2.363   0.914
    6    HA   SER   2           HA       SER   2 -14.036   5.182   0.733
    7    HB2  SER   2           HB2      SER   2 -13.460   5.019   3.174
    8    HB3  SER   2           HB3      SER   2 -11.978   4.178   2.726
    9    HG   SER   2           HG       SER   2 -12.495   6.823   2.741
   10    HA   PRO   3           HA       PRO   3 -11.344   2.987  -2.367
   11    HB2  PRO   3           HB2      PRO   3 -12.261   5.368  -3.905
   12    HB3  PRO   3           HB3      PRO   3 -12.162   3.664  -4.405
   13    HG2  PRO   3           HG2      PRO   3 -14.513   4.784  -3.852
   14    HG3  PRO   3           HG3      PRO   3 -14.156   3.109  -3.386
   15    HD2  PRO   3           HD2      PRO   3 -14.248   5.563  -1.652
   16    HD3  PRO   3           HD3      PRO   3 -14.732   3.878  -1.279
   17    H    GLN   4           H        GLN   4 -11.537   6.290  -1.255
   18    HA   GLN   4           HA       GLN   4  -9.171   7.264  -2.448
   19    HB2  GLN   4           HB2      GLN   4 -10.486   8.226   0.100
   20    HB3  GLN   4           HB3      GLN   4  -9.338   9.126  -0.878
   21    HG2  GLN   4           HG2      GLN   4 -11.387  10.051  -1.487
   22    HG3  GLN   4           HG3      GLN   4 -11.086   8.879  -2.768
   23   HE21  GLN   4          HE21      GLN   4 -12.135   8.069   0.492
   24   HE22  GLN   4          HE22      GLN   4 -13.707   7.497   0.037
   25    H    GLN   5           H        GLN   5  -9.835   5.843   0.711
   26    HA   GLN   5           HA       GLN   5  -7.225   6.245   1.737
   27    HB2  GLN   5           HB2      GLN   5  -9.420   4.357   2.568
   28    HB3  GLN   5           HB3      GLN   5  -7.885   4.461   3.412
   29    HG2  GLN   5           HG2      GLN   5  -8.307   6.791   3.961
   30    HG3  GLN   5           HG3      GLN   5  -9.813   6.756   3.050
   31   HE21  GLN   5          HE21      GLN   5  -8.733   4.081   5.021
   32   HE22  GLN   5          HE22      GLN   5  -9.951   4.242   6.238
   33    H    ALA   6           H        ALA   6  -8.758   3.611   0.011
   34    HA   ALA   6           HA       ALA   6  -6.665   1.742   0.222
   35    HB1  ALA   6           HB1      ALA   6  -8.658   2.073  -2.017
   36    HB2  ALA   6           HB2      ALA   6  -8.882   1.093  -0.566
   37    HB3  ALA   6           HB3      ALA   6  -7.640   0.661  -1.746
   38    H    LYS   7           H        LYS   7  -7.305   4.312  -2.119
   39    HA   LYS   7           HA       LYS   7  -5.119   3.670  -3.814
   40    HB2  LYS   7           HB2      LYS   7  -7.199   5.111  -4.319
   41    HB3  LYS   7           HB3      LYS   7  -6.331   6.414  -3.523
   42    HG2  LYS   7           HG2      LYS   7  -6.068   6.585  -5.910
   43    HG3  LYS   7           HG3      LYS   7  -4.500   6.187  -5.158
   44    HD2  LYS   7           HD2      LYS   7  -4.779   3.837  -5.774
   45    HD3  LYS   7           HD3      LYS   7  -6.383   4.169  -6.434
   46    HE2  LYS   7           HE2      LYS   7  -4.696   3.988  -8.219
   47    HE3  LYS   7           HE3      LYS   7  -5.387   5.610  -8.145
   48    HZ1  LYS   7           HZ1      LYS   7  -2.800   4.838  -6.916
   49    HZ2  LYS   7           HZ2      LYS   7  -3.442   6.401  -7.025
   50    HZ3  LYS   7           HZ3      LYS   7  -2.958   5.583  -8.425
   51    H    TYR   8           H        TYR   8  -5.464   5.511  -0.899
   52    HA   TYR   8           HA       TYR   8  -2.925   6.812  -1.000
   53    HB2  TYR   8           HB2      TYR   8  -4.779   7.658   0.386
   54    HB3  TYR   8           HB3      TYR   8  -4.719   6.188   1.356
   55    HD1  TYR   8           HD1      TYR   8  -3.206   5.959   3.143
   56    HD2  TYR   8           HD2      TYR   8  -2.841   9.249   0.474
   57    HE1  TYR   8           HE1      TYR   8  -1.603   7.008   4.673
   58    HE2  TYR   8           HE2      TYR   8  -1.232  10.316   2.002
   59    HH   TYR   8           HH       TYR   8  -0.595  10.263   4.341
   60    H    CYS   9           H        CYS   9  -4.157   3.849   0.506
   61    HA   CYS   9           HA       CYS   9  -1.829   3.136   1.907
   62    HB2  CYS   9           HB2      CYS   9  -4.094   2.090   2.219
   63    HB3  CYS   9           HB3      CYS   9  -3.851   1.213   0.700
   64    H    TYR  10           H        TYR  10  -2.917   2.245  -1.356
   65    HA   TYR  10           HA       TYR  10  -0.648   0.621  -1.915
   66    HB2  TYR  10           HB2      TYR  10  -2.811   1.828  -3.639
   67    HB3  TYR  10           HB3      TYR  10  -1.447   0.955  -4.347
   68    HD1  TYR  10           HD1      TYR  10  -1.077  -1.431  -3.709
   69    HD2  TYR  10           HD2      TYR  10  -4.647   0.650  -2.696
   70    HE1  TYR  10           HE1      TYR  10  -2.217  -3.568  -3.362
   71    HE2  TYR  10           HE2      TYR  10  -5.797  -1.487  -2.344
   72    HH   TYR  10           HH       TYR  10  -4.150  -4.453  -2.121
   73    H    GLU  11           H        GLU  11  -1.203   4.035  -2.099
   74    HA   GLU  11           HA       GLU  11   1.008   4.542  -3.847
   75    HB2  GLU  11           HB2      GLU  11  -0.949   6.128  -3.497
   76    HB3  GLU  11           HB3      GLU  11  -0.244   6.488  -1.906
   77    HG2  GLU  11           HG2      GLU  11   1.786   7.297  -2.953
   78    HG3  GLU  11           HG3      GLU  11   1.127   6.915  -4.561
   79    H    GLN  12           H        GLN  12   0.446   5.034  -0.374
   80    HA   GLN  12           HA       GLN  12   3.091   5.953   0.076
   81    HB2  GLN  12           HB2      GLN  12   0.995   5.078   2.066
   82    HB3  GLN  12           HB3      GLN  12   2.478   5.931   2.452
   83    HG2  GLN  12           HG2      GLN  12   0.383   6.996   0.598
   84    HG3  GLN  12           HG3      GLN  12   0.444   7.344   2.317
   85   HE21  GLN  12          HE21      GLN  12   3.357   7.446   2.378
   86   HE22  GLN  12          HE22      GLN  12   3.791   8.949   1.628
   87    H    CYS  13           H        CYS  13   1.769   2.792  -0.107
   88    HA   CYS  13           HA       CYS  13   3.373   1.500   1.807
   89    HB2  CYS  13           HB2      CYS  13   2.835  -0.580   0.649
   90    HB3  CYS  13           HB3      CYS  13   1.393   0.440   0.715
   91    H    ASN  14           H        ASN  14   3.906   1.798  -1.724
   92    HA   ASN  14           HA       ASN  14   6.595   0.822  -1.493
   93    HB2  ASN  14           HB2      ASN  14   6.809   1.416  -3.878
   94    HB3  ASN  14           HB3      ASN  14   5.350   0.491  -3.565
   95   HD21  ASN  14          HD21      ASN  14   6.596   3.690  -4.400
   96   HD22  ASN  14          HD22      ASN  14   5.076   4.316  -4.943
   97    H    VAL  15           H        VAL  15   5.109   3.975  -1.415
   98    HA   VAL  15           HA       VAL  15   7.443   5.502  -1.875
   99    HB   VAL  15           HB       VAL  15   4.913   6.225  -0.384
  100   HG11  VAL  15          HG11      VAL  15   6.727   7.651   0.388
  101   HG12  VAL  15          HG12      VAL  15   5.625   8.572  -0.637
  102   HG13  VAL  15          HG13      VAL  15   7.171   8.019  -1.280
  103   HG21  VAL  15          HG21      VAL  15   5.850   6.897  -3.176
  104   HG22  VAL  15          HG22      VAL  15   4.372   7.494  -2.419
  105   HG23  VAL  15          HG23      VAL  15   4.557   5.773  -2.756
  106    H    ASN  16           H        ASN  16   6.023   4.055   1.003
  107    HA   ASN  16           HA       ASN  16   7.881   5.308   2.814
  108    HB2  ASN  16           HB2      ASN  16   5.650   4.436   3.558
  109    HB3  ASN  16           HB3      ASN  16   6.230   2.792   3.247
  110   HD21  ASN  16          HD21      ASN  16   6.489   5.582   5.342
  111   HD22  ASN  16          HD22      ASN  16   7.336   4.762   6.606
  112    H    LYS  17           H        LYS  17   7.466   1.817   2.367
  113    HA   LYS  17           HA       LYS  17   9.721   1.228   0.913
  114    HB2  LYS  17           HB2      LYS  17  10.311   1.605   3.770
  115    HB3  LYS  17           HB3      LYS  17  10.850   0.056   3.113
  116    HG2  LYS  17           HG2      LYS  17  12.167   1.192   1.424
  117    HG3  LYS  17           HG3      LYS  17  11.554   2.762   1.962
  118    HD2  LYS  17           HD2      LYS  17  12.537   2.202   4.253
  119    HD3  LYS  17           HD3      LYS  17  13.344   0.839   3.448
  120    HE2  LYS  17           HE2      LYS  17  14.520   2.325   1.973
  121    HE3  LYS  17           HE3      LYS  17  13.621   3.716   2.578
  122    HZ1  LYS  17           HZ1      LYS  17  14.643   3.380   4.743
  123    HZ2  LYS  17           HZ2      LYS  17  15.821   3.602   3.550
  124    HZ3  LYS  17           HZ3      LYS  17  15.510   2.055   4.152
  125    H    VAL  18           H        VAL  18   7.939  -0.201   0.152
  126    HA   VAL  18           HA       VAL  18   8.194  -2.757   1.514
  127    HB   VAL  18           HB       VAL  18   5.986  -3.258   1.938
  128   HG11  VAL  18          HG11      VAL  18   6.591  -1.440   3.441
  129   HG12  VAL  18          HG12      VAL  18   4.863  -1.441   3.090
  130   HG13  VAL  18          HG13      VAL  18   5.920  -0.265   2.309
  131   HG21  VAL  18          HG21      VAL  18   4.044  -2.230   0.888
  132   HG22  VAL  18          HG22      VAL  18   5.182  -2.873  -0.302
  133   HG23  VAL  18          HG23      VAL  18   5.105  -1.133  -0.004
  134    HA   PRO  19           HA       PRO  19   8.158  -4.172  -2.754
  135    HB2  PRO  19           HB2      PRO  19   7.297  -6.754  -1.636
  136    HB3  PRO  19           HB3      PRO  19   8.763  -6.365  -2.550
  137    HG2  PRO  19           HG2      PRO  19   8.845  -6.931   0.078
  138    HG3  PRO  19           HG3      PRO  19   9.946  -5.766  -0.679
  139    HD2  PRO  19           HD2      PRO  19   7.499  -5.242   0.972
  140    HD3  PRO  19           HD3      PRO  19   9.059  -4.386   0.933
  141    H    PHE  20           H        PHE  20   6.538  -4.864  -4.319
  142    HA   PHE  20           HA       PHE  20   3.999  -3.842  -3.831
  143    HB2  PHE  20           HB2      PHE  20   4.966  -4.248  -6.106
  144    HB3  PHE  20           HB3      PHE  20   4.612  -5.960  -5.898
  145    HD1  PHE  20           HD1      PHE  20   3.177  -2.633  -6.378
  146    HD2  PHE  20           HD2      PHE  20   2.343  -6.788  -5.984
  147    HE1  PHE  20           HE1      PHE  20   0.887  -2.249  -7.196
  148    HE2  PHE  20           HE2      PHE  20   0.058  -6.411  -6.808
  149    HZ   PHE  20           HZ       PHE  20  -0.672  -4.139  -7.412
  150    H    ASP  21           H        ASP  21   5.094  -7.209  -3.649
  151    HA   ASP  21           HA       ASP  21   2.615  -8.407  -3.196
  152    HB2  ASP  21           HB2      ASP  21   3.937 -10.217  -2.048
  153    HB3  ASP  21           HB3      ASP  21   4.481  -9.817  -3.675
  154    H    GLN  22           H        GLN  22   4.925  -7.062  -0.839
  155    HA   GLN  22           HA       GLN  22   3.342  -7.600   1.428
  156    HB2  GLN  22           HB2      GLN  22   5.706  -7.001   1.633
  157    HB3  GLN  22           HB3      GLN  22   5.369  -5.394   1.001
  158    HG2  GLN  22           HG2      GLN  22   3.888  -4.992   2.942
  159    HG3  GLN  22           HG3      GLN  22   4.380  -6.560   3.592
  160   HE21  GLN  22          HE21      GLN  22   7.122  -6.319   2.686
  161   HE22  GLN  22          HE22      GLN  22   7.881  -5.161   3.725
  162    H    CYS  23           H        CYS  23   3.437  -4.903  -0.838
  163    HA   CYS  23           HA       CYS  23   1.728  -3.153   0.552
  164    HB2  CYS  23           HB2      CYS  23   3.019  -2.514  -1.520
  165    HB3  CYS  23           HB3      CYS  23   1.862  -3.456  -2.465
  166    H    TYR  24           H        TYR  24   1.011  -5.747  -1.753
  167    HA   TYR  24           HA       TYR  24  -1.791  -5.477  -1.612
  168    HB2  TYR  24           HB2      TYR  24  -0.730  -6.800  -3.393
  169    HB3  TYR  24           HB3      TYR  24  -0.143  -7.963  -2.191
  170    HD1  TYR  24           HD1      TYR  24  -1.450  -9.798  -1.605
  171    HD2  TYR  24           HD2      TYR  24  -3.281  -6.498  -3.560
  172    HE1  TYR  24           HE1      TYR  24  -3.535 -11.077  -1.802
  173    HE2  TYR  24           HE2      TYR  24  -5.371  -7.767  -3.762
  174    HH   TYR  24           HH       TYR  24  -5.952 -10.636  -2.056
  175    H    GLN  25           H        GLN  25   0.524  -7.165   0.432
  176    HA   GLN  25           HA       GLN  25  -1.365  -8.806   1.777
  177    HB2  GLN  25           HB2      GLN  25   1.337  -7.786   2.719
  178    HB3  GLN  25           HB3      GLN  25   0.388  -8.979   3.585
  179    HG2  GLN  25           HG2      GLN  25   0.592 -10.515   1.644
  180    HG3  GLN  25           HG3      GLN  25   1.605  -9.327   0.831
  181   HE21  GLN  25          HE21      GLN  25   2.864  -8.541   3.401
  182   HE22  GLN  25          HE22      GLN  25   3.988  -9.810   3.750
  183    H    MET  26           H        MET  26  -0.087  -5.585   2.394
  184    HA   MET  26           HA       MET  26  -1.417  -5.392   4.942
  185    HB2  MET  26           HB2      MET  26   0.757  -4.375   4.692
  186    HB3  MET  26           HB3      MET  26   0.204  -3.441   3.315
  187    HG2  MET  26           HG2      MET  26  -1.349  -2.221   4.825
  188    HG3  MET  26           HG3      MET  26  -0.639  -3.091   6.186
  189    HE1  MET  26           HE1      MET  26   0.038  -0.509   3.284
  190    HE2  MET  26           HE2      MET  26   1.265  -1.737   2.976
  191    HE3  MET  26           HE3      MET  26   1.742  -0.138   3.536
  192    H    CYS  27           H        CYS  27  -1.854  -3.974   1.705
  193    HA   CYS  27           HA       CYS  27  -3.975  -2.263   2.686
  194    HB2  CYS  27           HB2      CYS  27  -3.001  -2.664  -0.162
  195    HB3  CYS  27           HB3      CYS  27  -4.100  -1.392   0.404
  196    H    SER  28           H        SER  28  -3.878  -5.451   1.396
  197    HA   SER  28           HA       SER  28  -6.276  -5.419  -0.041
  198    HB2  SER  28           HB2      SER  28  -6.312  -7.927   0.353
  199    HB3  SER  28           HB3      SER  28  -4.880  -7.265  -0.447
  200    HG   SER  28           HG       SER  28  -3.690  -7.706   1.260
  201    HA   PRO  29           HA       PRO  29  -8.534  -6.924   4.072
  202    HB2  PRO  29           HB2      PRO  29  -6.923  -5.272   5.957
  203    HB3  PRO  29           HB3      PRO  29  -7.705  -6.845   6.221
  204    HG2  PRO  29           HG2      PRO  29  -5.080  -6.739   5.888
  205    HG3  PRO  29           HG3      PRO  29  -6.031  -8.016   5.086
  206    HD2  PRO  29           HD2      PRO  29  -4.891  -5.485   3.918
  207    HD3  PRO  29           HD3      PRO  29  -4.949  -7.127   3.226
  208    H    LEU  30           H        LEU  30  -7.247  -3.837   3.237
  209    HA   LEU  30           HA       LEU  30  -9.318  -2.290   4.523
  210    HB2  LEU  30           HB2      LEU  30  -6.885  -1.565   3.972
  211    HB3  LEU  30           HB3      LEU  30  -7.489  -1.329   2.323
  212    HG   LEU  30           HG       LEU  30  -8.447   0.140   4.807
  213   HD11  LEU  30          HD11      LEU  30  -7.393   2.086   3.674
  214   HD12  LEU  30          HD12      LEU  30  -6.716   0.974   2.484
  215   HD13  LEU  30          HD13      LEU  30  -6.240   0.848   4.178
  216   HD21  LEU  30          HD21      LEU  30  -9.741   1.532   3.300
  217   HD22  LEU  30          HD22      LEU  30 -10.234  -0.153   3.120
  218   HD23  LEU  30          HD23      LEU  30  -9.192   0.595   1.910
  219    H    GLU  31           H        GLU  31  -8.358  -2.872   1.156
  220    HA   GLU  31           HA       GLU  31 -10.808  -1.754   0.152
  221    HB2  GLU  31           HB2      GLU  31  -8.495  -1.712  -0.987
  222    HB3  GLU  31           HB3      GLU  31  -8.838  -3.383  -1.450
  223    HG2  GLU  31           HG2      GLU  31 -10.521  -0.984  -2.214
  224    HG3  GLU  31           HG3      GLU  31  -9.329  -1.775  -3.252
  225    H    ARG  32           H        ARG  32  -9.372  -5.015  -0.017
  226    HA   ARG  32           HA       ARG  32 -12.055  -5.995  -0.741
  227    HB2  ARG  32           HB2      ARG  32 -10.115  -6.234  -2.435
  228    HB3  ARG  32           HB3      ARG  32  -9.455  -7.438  -1.318
  229    HG2  ARG  32           HG2      ARG  32 -10.622  -8.804  -2.752
  230    HG3  ARG  32           HG3      ARG  32 -11.853  -8.504  -1.526
  231    HD2  ARG  32           HD2      ARG  32 -11.674  -7.520  -4.334
  232    HD3  ARG  32           HD3      ARG  32 -13.060  -8.122  -3.433
  233    HE   ARG  32           HE       ARG  32 -11.899  -5.431  -3.001
  234   HH11  ARG  32          HH11      ARG  32 -14.663  -7.570  -3.324
  235   HH12  ARG  32          HH12      ARG  32 -15.824  -6.302  -3.124
  236   HH21  ARG  32          HH21      ARG  32 -13.428  -3.761  -2.755
  237   HH22  ARG  32          HH22      ARG  32 -15.127  -4.137  -2.799
  238    H    SER  33           H        SER  33 -12.713  -6.278   1.401
  239    HA   SER  33           HA       SER  33 -11.348  -8.482   2.817
  240    HB2  SER  33           HB2      SER  33 -11.438  -6.154   3.954
  241    HB3  SER  33           HB3      SER  33 -13.162  -6.466   4.164
  242    HG   SER  33           HG       SER  33 -10.995  -8.011   5.158
  Start of MODEL   33
    1    HA   ALA   1           HA       ALA   1 -16.279   2.582   1.481
    2    HB1  ALA   1           HB1      ALA   1 -17.021   3.812  -0.495
    3    HB2  ALA   1           HB2      ALA   1 -18.170   4.711   0.493
    4    HB3  ALA   1           HB3      ALA   1 -18.362   2.971   0.279
    5    H    SER   2           H        SER   2 -14.357   3.449   0.902
    6    HA   SER   2           HA       SER   2 -13.836   6.283   1.015
    7    HB2  SER   2           HB2      SER   2 -13.681   5.438   3.462
    8    HB3  SER   2           HB3      SER   2 -12.236   4.574   2.940
    9    HG   SER   2           HG       SER   2 -12.336   7.026   3.750
   10    HA   PRO   3           HA       PRO   3 -11.480   3.466  -1.959
   11    HB2  PRO   3           HB2      PRO   3 -11.950   5.839  -3.690
   12    HB3  PRO   3           HB3      PRO   3 -12.102   4.109  -4.069
   13    HG2  PRO   3           HG2      PRO   3 -14.268   5.611  -3.707
   14    HG3  PRO   3           HG3      PRO   3 -14.196   3.944  -3.104
   15    HD2  PRO   3           HD2      PRO   3 -13.941   6.514  -1.557
   16    HD3  PRO   3           HD3      PRO   3 -14.724   4.973  -1.091
   17    H    GLN   4           H        GLN   4 -11.116   6.798  -0.975
   18    HA   GLN   4           HA       GLN   4  -8.580   7.210  -2.194
   19    HB2  GLN   4           HB2      GLN   4  -9.988   8.671   0.029
   20    HB3  GLN   4           HB3      GLN   4  -8.401   9.143  -0.566
   21    HG2  GLN   4           HG2      GLN   4 -10.912   9.007  -2.234
   22    HG3  GLN   4           HG3      GLN   4 -10.203  10.479  -1.576
   23   HE21  GLN   4          HE21      GLN   4  -7.462   9.595  -2.077
   24   HE22  GLN   4          HE22      GLN   4  -7.221   9.734  -3.786
   25    H    GLN   5           H        GLN   5  -9.585   6.049   0.969
   26    HA   GLN   5           HA       GLN   5  -7.022   6.132   2.142
   27    HB2  GLN   5           HB2      GLN   5  -7.867   4.858   3.934
   28    HB3  GLN   5           HB3      GLN   5  -9.230   5.813   3.375
   29    HG2  GLN   5           HG2      GLN   5 -10.142   3.894   2.212
   30    HG3  GLN   5           HG3      GLN   5  -8.731   2.934   2.646
   31   HE21  GLN   5          HE21      GLN   5  -8.580   4.050   5.341
   32   HE22  GLN   5          HE22      GLN   5  -9.869   3.319   6.233
   33    H    ALA   6           H        ALA   6  -8.646   3.767   0.176
   34    HA   ALA   6           HA       ALA   6  -6.699   1.712   0.451
   35    HB1  ALA   6           HB1      ALA   6  -8.923   1.171  -0.343
   36    HB2  ALA   6           HB2      ALA   6  -7.734   0.747  -1.577
   37    HB3  ALA   6           HB3      ALA   6  -8.703   2.207  -1.753
   38    H    LYS   7           H        LYS   7  -7.226   4.280  -1.923
   39    HA   LYS   7           HA       LYS   7  -5.081   3.570  -3.618
   40    HB2  LYS   7           HB2      LYS   7  -7.004   5.086  -4.217
   41    HB3  LYS   7           HB3      LYS   7  -6.252   6.333  -3.234
   42    HG2  LYS   7           HG2      LYS   7  -5.714   6.742  -5.520
   43    HG3  LYS   7           HG3      LYS   7  -4.237   6.202  -4.682
   44    HD2  LYS   7           HD2      LYS   7  -4.605   3.914  -5.558
   45    HD3  LYS   7           HD3      LYS   7  -6.043   4.477  -6.417
   46    HE2  LYS   7           HE2      LYS   7  -4.131   4.356  -7.940
   47    HE3  LYS   7           HE3      LYS   7  -4.638   6.030  -7.715
   48    HZ1  LYS   7           HZ1      LYS   7  -2.240   5.808  -7.626
   49    HZ2  LYS   7           HZ2      LYS   7  -2.360   4.719  -6.340
   50    HZ3  LYS   7           HZ3      LYS   7  -2.841   6.328  -6.133
   51    H    TYR   8           H        TYR   8  -5.343   5.660  -0.806
   52    HA   TYR   8           HA       TYR   8  -2.758   6.774  -0.853
   53    HB2  TYR   8           HB2      TYR   8  -4.628   7.571   0.592
   54    HB3  TYR   8           HB3      TYR   8  -4.467   6.103   1.553
   55    HD1  TYR   8           HD1      TYR   8  -2.788   9.247   0.601
   56    HD2  TYR   8           HD2      TYR   8  -2.812   5.916   3.247
   57    HE1  TYR   8           HE1      TYR   8  -1.149  10.383   2.039
   58    HE2  TYR   8           HE2      TYR   8  -1.171   7.039   4.690
   59    HH   TYR   8           HH       TYR   8  -0.398  10.341   4.363
   60    H    CYS   9           H        CYS   9  -4.029   3.780   0.514
   61    HA   CYS   9           HA       CYS   9  -1.691   3.013   1.899
   62    HB2  CYS   9           HB2      CYS   9  -3.963   2.038   2.290
   63    HB3  CYS   9           HB3      CYS   9  -3.826   1.185   0.746
   64    H    TYR  10           H        TYR  10  -2.900   2.099  -1.329
   65    HA   TYR  10           HA       TYR  10  -0.664   0.465  -1.964
   66    HB2  TYR  10           HB2      TYR  10  -2.786   1.774  -3.674
   67    HB3  TYR  10           HB3      TYR  10  -1.476   0.817  -4.366
   68    HD1  TYR  10           HD1      TYR  10  -1.290  -1.604  -3.771
   69    HD2  TYR  10           HD2      TYR  10  -4.689   0.738  -2.729
   70    HE1  TYR  10           HE1      TYR  10  -2.610  -3.659  -3.481
   71    HE2  TYR  10           HE2      TYR  10  -6.010  -1.302  -2.433
   72    HH   TYR  10           HH       TYR  10  -6.021  -3.611  -3.183
   73    H    GLU  11           H        GLU  11  -1.268   3.896  -2.250
   74    HA   GLU  11           HA       GLU  11   0.926   4.394  -4.010
   75    HB2  GLU  11           HB2      GLU  11  -1.221   5.910  -2.951
   76    HB3  GLU  11           HB3      GLU  11   0.273   6.688  -2.396
   77    HG2  GLU  11           HG2      GLU  11  -0.469   6.084  -5.272
   78    HG3  GLU  11           HG3      GLU  11  -0.491   7.673  -4.474
   79    H    GLN  12           H        GLN  12   0.430   4.955  -0.523
   80    HA   GLN  12           HA       GLN  12   3.077   5.918  -0.177
   81    HB2  GLN  12           HB2      GLN  12   0.910   5.160   1.773
   82    HB3  GLN  12           HB3      GLN  12   2.469   5.796   2.276
   83    HG2  GLN  12           HG2      GLN  12   0.918   7.292   0.241
   84    HG3  GLN  12           HG3      GLN  12   0.397   7.355   1.918
   85   HE21  GLN  12          HE21      GLN  12   3.749   6.981   1.108
   86   HE22  GLN  12          HE22      GLN  12   4.242   8.568   1.591
   87    H    CYS  13           H        CYS  13   1.774   2.745  -0.221
   88    HA   CYS  13           HA       CYS  13   3.375   1.501   1.712
   89    HB2  CYS  13           HB2      CYS  13   2.840  -0.598   0.628
   90    HB3  CYS  13           HB3      CYS  13   1.412   0.437   0.521
   91    H    ASN  14           H        ASN  14   3.982   1.748  -1.812
   92    HA   ASN  14           HA       ASN  14   6.683   0.828  -1.518
   93    HB2  ASN  14           HB2      ASN  14   6.909   1.488  -3.925
   94    HB3  ASN  14           HB3      ASN  14   5.571   0.397  -3.601
   95   HD21  ASN  14          HD21      ASN  14   6.406   3.754  -4.386
   96   HD22  ASN  14          HD22      ASN  14   4.826   4.175  -4.951
   97    H    VAL  15           H        VAL  15   5.153   3.964  -1.527
   98    HA   VAL  15           HA       VAL  15   7.445   5.526  -2.009
   99    HB   VAL  15           HB       VAL  15   4.938   6.211  -0.466
  100   HG11  VAL  15          HG11      VAL  15   6.777   7.647   0.261
  101   HG12  VAL  15          HG12      VAL  15   5.613   8.560  -0.700
  102   HG13  VAL  15          HG13      VAL  15   7.139   8.046  -1.417
  103   HG21  VAL  15          HG21      VAL  15   4.359   7.484  -2.499
  104   HG22  VAL  15          HG22      VAL  15   4.535   5.762  -2.827
  105   HG23  VAL  15          HG23      VAL  15   5.820   6.880  -3.277
  106    H    ASN  16           H        ASN  16   6.018   4.254   0.981
  107    HA   ASN  16           HA       ASN  16   7.960   5.477   2.685
  108    HB2  ASN  16           HB2      ASN  16   6.167   3.067   3.161
  109    HB3  ASN  16           HB3      ASN  16   7.123   3.884   4.406
  110   HD21  ASN  16          HD21      ASN  16   4.238   3.556   4.353
  111   HD22  ASN  16          HD22      ASN  16   3.571   5.155   4.337
  112    H    LYS  17           H        LYS  17   7.494   1.969   2.384
  113    HA   LYS  17           HA       LYS  17   9.619   1.357   0.769
  114    HB2  LYS  17           HB2      LYS  17  11.111   2.247   2.513
  115    HB3  LYS  17           HB3      LYS  17  10.420   1.104   3.676
  116    HG2  LYS  17           HG2      LYS  17  11.274  -0.771   2.385
  117    HG3  LYS  17           HG3      LYS  17  11.911   0.333   1.163
  118    HD2  LYS  17           HD2      LYS  17  13.491   1.261   2.682
  119    HD3  LYS  17           HD3      LYS  17  12.753   0.440   4.075
  120    HE2  LYS  17           HE2      LYS  17  14.809  -0.685   3.372
  121    HE3  LYS  17           HE3      LYS  17  13.410  -1.728   3.119
  122    HZ1  LYS  17           HZ1      LYS  17  14.768  -0.128   1.017
  123    HZ2  LYS  17           HZ2      LYS  17  13.442  -1.147   0.779
  124    HZ3  LYS  17           HZ3      LYS  17  14.930  -1.796   1.244
  125    H    VAL  18           H        VAL  18   7.797  -0.117   0.195
  126    HA   VAL  18           HA       VAL  18   8.220  -2.624   1.625
  127    HB   VAL  18           HB       VAL  18   6.008  -3.186   2.081
  128   HG11  VAL  18          HG11      VAL  18   4.959  -1.402   3.340
  129   HG12  VAL  18          HG12      VAL  18   5.976  -0.205   2.536
  130   HG13  VAL  18          HG13      VAL  18   6.705  -1.406   3.603
  131   HG21  VAL  18          HG21      VAL  18   5.132  -2.703  -0.126
  132   HG22  VAL  18          HG22      VAL  18   5.064  -0.984   0.261
  133   HG23  VAL  18          HG23      VAL  18   4.039  -2.126   1.132
  134    HA   PRO  19           HA       PRO  19   8.064  -4.261  -2.569
  135    HB2  PRO  19           HB2      PRO  19   7.067  -6.728  -1.292
  136    HB3  PRO  19           HB3      PRO  19   8.516  -6.487  -2.284
  137    HG2  PRO  19           HG2      PRO  19   8.697  -6.903   0.358
  138    HG3  PRO  19           HG3      PRO  19   9.801  -5.811  -0.500
  139    HD2  PRO  19           HD2      PRO  19   7.434  -5.132   1.215
  140    HD3  PRO  19           HD3      PRO  19   9.020  -4.333   1.087
  141    H    PHE  20           H        PHE  20   6.419  -4.892  -4.103
  142    HA   PHE  20           HA       PHE  20   3.884  -3.797  -3.628
  143    HB2  PHE  20           HB2      PHE  20   4.863  -4.159  -5.899
  144    HB3  PHE  20           HB3      PHE  20   4.546  -5.882  -5.723
  145    HD1  PHE  20           HD1      PHE  20   2.299  -6.759  -5.846
  146    HD2  PHE  20           HD2      PHE  20   3.047  -2.582  -6.198
  147    HE1  PHE  20           HE1      PHE  20   0.018  -6.426  -6.703
  148    HE2  PHE  20           HE2      PHE  20   0.763  -2.243  -7.053
  149    HZ   PHE  20           HZ       PHE  20  -0.753  -4.166  -7.303
  150    H    ASP  21           H        ASP  21   4.980  -7.160  -3.403
  151    HA   ASP  21           HA       ASP  21   2.466  -8.323  -2.955
  152    HB2  ASP  21           HB2      ASP  21   3.661 -10.195  -1.926
  153    HB3  ASP  21           HB3      ASP  21   4.449  -9.690  -3.415
  154    H    GLN  22           H        GLN  22   4.704  -6.701  -0.780
  155    HA   GLN  22           HA       GLN  22   3.264  -7.239   1.599
  156    HB2  GLN  22           HB2      GLN  22   5.618  -6.555   1.625
  157    HB3  GLN  22           HB3      GLN  22   5.166  -4.972   0.996
  158    HG2  GLN  22           HG2      GLN  22   5.517  -4.831   3.365
  159    HG3  GLN  22           HG3      GLN  22   3.798  -4.598   3.007
  160   HE21  GLN  22          HE21      GLN  22   3.128  -5.199   5.041
  161   HE22  GLN  22          HE22      GLN  22   3.198  -6.833   5.601
  162    H    CYS  23           H        CYS  23   3.210  -4.581  -0.771
  163    HA   CYS  23           HA       CYS  23   1.282  -2.966   0.445
  164    HB2  CYS  23           HB2      CYS  23   1.516  -3.558  -2.527
  165    HB3  CYS  23           HB3      CYS  23   0.685  -2.187  -1.809
  166    H    TYR  24           H        TYR  24   0.931  -5.808  -1.601
  167    HA   TYR  24           HA       TYR  24  -1.881  -5.827  -1.730
  168    HB2  TYR  24           HB2      TYR  24  -0.266  -7.095  -3.216
  169    HB3  TYR  24           HB3      TYR  24  -0.055  -8.238  -1.881
  170    HD1  TYR  24           HD1      TYR  24  -1.916  -9.689  -1.199
  171    HD2  TYR  24           HD2      TYR  24  -2.230  -7.104  -4.555
  172    HE1  TYR  24           HE1      TYR  24  -3.850 -10.968  -1.996
  173    HE2  TYR  24           HE2      TYR  24  -4.166  -8.381  -5.365
  174    HH   TYR  24           HH       TYR  24  -5.834 -10.602  -3.464
  175    H    GLN  25           H        GLN  25   0.388  -7.067   0.652
  176    HA   GLN  25           HA       GLN  25  -1.512  -8.797   1.922
  177    HB2  GLN  25           HB2      GLN  25   1.212  -7.787   2.730
  178    HB3  GLN  25           HB3      GLN  25   0.223  -8.732   3.833
  179    HG2  GLN  25           HG2      GLN  25   1.114  -9.672   1.097
  180    HG3  GLN  25           HG3      GLN  25   1.873 -10.114   2.625
  181   HE21  GLN  25          HE21      GLN  25   0.590 -11.770   0.600
  182   HE22  GLN  25          HE22      GLN  25  -0.656 -12.642   1.427
  183    H    MET  26           H        MET  26  -0.470  -5.488   2.376
  184    HA   MET  26           HA       MET  26  -2.029  -5.251   4.810
  185    HB2  MET  26           HB2      MET  26   0.081  -4.160   4.894
  186    HB3  MET  26           HB3      MET  26  -0.182  -3.394   3.337
  187    HG2  MET  26           HG2      MET  26  -1.935  -1.989   4.319
  188    HG3  MET  26           HG3      MET  26  -1.661  -2.752   5.886
  189    HE1  MET  26           HE1      MET  26   1.287  -1.938   3.369
  190    HE2  MET  26           HE2      MET  26   1.606  -0.251   3.768
  191    HE3  MET  26           HE3      MET  26   0.085  -0.701   3.001
  192    H    CYS  27           H        CYS  27  -2.031  -3.835   1.539
  193    HA   CYS  27           HA       CYS  27  -4.247  -2.125   2.248
  194    HB2  CYS  27           HB2      CYS  27  -2.967  -2.502  -0.474
  195    HB3  CYS  27           HB3      CYS  27  -3.989  -1.154   0.060
  196    H    SER  28           H        SER  28  -3.862  -5.100   0.368
  197    HA   SER  28           HA       SER  28  -6.285  -4.875  -1.019
  198    HB2  SER  28           HB2      SER  28  -4.744  -7.382  -0.354
  199    HB3  SER  28           HB3      SER  28  -6.053  -7.262  -1.540
  200    HG   SER  28           HG       SER  28  -4.571  -5.382  -2.305
  201    HA   PRO  29           HA       PRO  29  -8.286  -7.568   2.633
  202    HB2  PRO  29           HB2      PRO  29  -6.539  -6.335   4.724
  203    HB3  PRO  29           HB3      PRO  29  -7.343  -7.918   4.723
  204    HG2  PRO  29           HG2      PRO  29  -4.753  -7.799   4.215
  205    HG3  PRO  29           HG3      PRO  29  -5.796  -8.850   3.224
  206    HD2  PRO  29           HD2      PRO  29  -4.627  -6.160   2.556
  207    HD3  PRO  29           HD3      PRO  29  -4.836  -7.592   1.520
  208    H    LEU  30           H        LEU  30  -6.811  -4.413   3.246
  209    HA   LEU  30           HA       LEU  30  -8.968  -3.126   4.501
  210    HB2  LEU  30           HB2      LEU  30  -6.539  -2.330   4.223
  211    HB3  LEU  30           HB3      LEU  30  -6.996  -1.847   2.583
  212    HG   LEU  30           HG       LEU  30  -7.992  -0.670   5.200
  213   HD11  LEU  30          HD11      LEU  30  -5.770   0.051   4.499
  214   HD12  LEU  30          HD12      LEU  30  -6.934   1.364   4.324
  215   HD13  LEU  30          HD13      LEU  30  -6.394   0.470   2.901
  216   HD21  LEU  30          HD21      LEU  30  -9.844  -0.750   3.583
  217   HD22  LEU  30          HD22      LEU  30  -8.831   0.061   2.387
  218   HD23  LEU  30          HD23      LEU  30  -9.295   0.903   3.867
  219    H    GLU  31           H        GLU  31  -7.916  -3.051   1.150
  220    HA   GLU  31           HA       GLU  31  -9.946  -1.416   0.157
  221    HB2  GLU  31           HB2      GLU  31  -7.815  -1.784  -0.996
  222    HB3  GLU  31           HB3      GLU  31  -8.251  -3.471  -1.283
  223    HG2  GLU  31           HG2      GLU  31 -10.093  -2.753  -2.720
  224    HG3  GLU  31           HG3      GLU  31  -9.659  -1.061  -2.442
  225    H    ARG  32           H        ARG  32  -9.644  -4.949  -0.210
  226    HA   ARG  32           HA       ARG  32 -12.544  -5.191  -0.084
  227    HB2  ARG  32           HB2      ARG  32 -10.918  -6.018  -2.504
  228    HB3  ARG  32           HB3      ARG  32 -12.506  -6.703  -2.158
  229    HG2  ARG  32           HG2      ARG  32 -11.999  -3.736  -2.540
  230    HG3  ARG  32           HG3      ARG  32 -12.461  -4.815  -3.853
  231    HD2  ARG  32           HD2      ARG  32 -14.394  -3.620  -3.030
  232    HD3  ARG  32           HD3      ARG  32 -14.567  -5.330  -2.661
  233    HE   ARG  32           HE       ARG  32 -13.481  -3.618  -0.561
  234   HH11  ARG  32          HH11      ARG  32 -16.244  -5.311  -1.890
  235   HH12  ARG  32          HH12      ARG  32 -17.144  -5.264  -0.407
  236   HH21  ARG  32          HH21      ARG  32 -14.688  -3.523   1.386
  237   HH22  ARG  32          HH22      ARG  32 -16.263  -4.252   1.452
  238    H    SER  33           H        SER  33 -12.998  -6.847   1.196
  239    HA   SER  33           HA       SER  33 -11.549  -9.335   1.036
  240    HB2  SER  33           HB2      SER  33 -10.246  -7.703   2.626
  241    HB3  SER  33           HB3      SER  33 -11.552  -8.047   3.759
  242    HG   SER  33           HG       SER  33  -9.720  -9.871   2.590
  Start of MODEL   34
    1    HA   ALA   1           HA       ALA   1 -15.256  -0.199  -0.118
    2    HB1  ALA   1           HB1      ALA   1 -16.064   1.440  -1.736
    3    HB2  ALA   1           HB2      ALA   1 -17.397   1.854  -0.659
    4    HB3  ALA   1           HB3      ALA   1 -17.306   0.242  -1.370
    5    H    SER   2           H        SER   2 -13.753   1.508  -0.691
    6    HA   SER   2           HA       SER   2 -13.572   3.971   0.691
    7    HB2  SER   2           HB2      SER   2 -13.196   2.187   2.562
    8    HB3  SER   2           HB3      SER   2 -11.640   1.913   1.780
    9    HG   SER   2           HG       SER   2 -11.455   3.444   3.439
   10    HA   PRO   3           HA       PRO   3 -10.877   2.631  -3.023
   11    HB2  PRO   3           HB2      PRO   3 -11.596   4.816  -4.585
   12    HB3  PRO   3           HB3      PRO   3 -12.293   3.187  -4.717
   13    HG2  PRO   3           HG2      PRO   3 -13.346   5.618  -3.364
   14    HG3  PRO   3           HG3      PRO   3 -14.222   4.326  -4.207
   15    HD2  PRO   3           HD2      PRO   3 -14.135   4.531  -1.488
   16    HD3  PRO   3           HD3      PRO   3 -14.230   2.945  -2.308
   17    H    GLN   4           H        GLN   4 -11.431   5.899  -1.749
   18    HA   GLN   4           HA       GLN   4  -8.994   6.978  -2.718
   19    HB2  GLN   4           HB2      GLN   4 -10.754   7.889  -0.436
   20    HB3  GLN   4           HB3      GLN   4  -9.377   8.795  -1.029
   21    HG2  GLN   4           HG2      GLN   4 -10.474   9.026  -3.220
   22    HG3  GLN   4           HG3      GLN   4 -11.865   8.129  -2.607
   23   HE21  GLN   4          HE21      GLN   4 -13.273   9.879  -2.927
   24   HE22  GLN   4          HE22      GLN   4 -13.231  11.288  -1.918
   25    H    GLN   5           H        GLN   5  -9.932   5.580   0.383
   26    HA   GLN   5           HA       GLN   5  -7.428   6.029   1.635
   27    HB2  GLN   5           HB2      GLN   5  -9.655   4.104   2.277
   28    HB3  GLN   5           HB3      GLN   5  -8.200   4.242   3.252
   29    HG2  GLN   5           HG2      GLN   5 -10.125   6.500   2.703
   30    HG3  GLN   5           HG3      GLN   5 -10.105   5.522   4.167
   31   HE21  GLN   5          HE21      GLN   5  -7.172   5.377   4.222
   32   HE22  GLN   5          HE22      GLN   5  -6.640   6.936   4.752
   33    H    ALA   6           H        ALA   6  -8.784   3.363  -0.195
   34    HA   ALA   6           HA       ALA   6  -6.694   1.521   0.188
   35    HB1  ALA   6           HB1      ALA   6  -8.828   0.845  -0.777
   36    HB2  ALA   6           HB2      ALA   6  -7.497   0.441  -1.863
   37    HB3  ALA   6           HB3      ALA   6  -8.510   1.837  -2.199
   38    H    LYS   7           H        LYS   7  -7.172   4.059  -2.248
   39    HA   LYS   7           HA       LYS   7  -4.863   3.384  -3.742
   40    HB2  LYS   7           HB2      LYS   7  -6.798   4.793  -4.559
   41    HB3  LYS   7           HB3      LYS   7  -6.150   6.113  -3.598
   42    HG2  LYS   7           HG2      LYS   7  -5.506   6.280  -5.956
   43    HG3  LYS   7           HG3      LYS   7  -4.092   6.103  -4.881
   44    HD2  LYS   7           HD2      LYS   7  -4.006   3.693  -5.409
   45    HD3  LYS   7           HD3      LYS   7  -5.402   3.869  -6.476
   46    HE2  LYS   7           HE2      LYS   7  -3.301   3.825  -7.751
   47    HE3  LYS   7           HE3      LYS   7  -4.119   5.379  -7.909
   48    HZ1  LYS   7           HZ1      LYS   7  -2.611   6.333  -6.325
   49    HZ2  LYS   7           HZ2      LYS   7  -1.719   5.588  -7.551
   50    HZ3  LYS   7           HZ3      LYS   7  -1.878   4.836  -6.046
   51    H    TYR   8           H        TYR   8  -5.446   5.506  -1.012
   52    HA   TYR   8           HA       TYR   8  -2.923   6.756  -0.929
   53    HB2  TYR   8           HB2      TYR   8  -4.974   7.458   0.362
   54    HB3  TYR   8           HB3      TYR   8  -4.682   6.089   1.436
   55    HD1  TYR   8           HD1      TYR   8  -3.086   6.224   3.185
   56    HD2  TYR   8           HD2      TYR   8  -3.291   9.290   0.243
   57    HE1  TYR   8           HE1      TYR   8  -1.597   7.627   4.554
   58    HE2  TYR   8           HE2      TYR   8  -1.805  10.702   1.599
   59    HH   TYR   8           HH       TYR   8   0.031   9.558   4.124
   60    H    CYS   9           H        CYS   9  -4.153   3.758   0.462
   61    HA   CYS   9           HA       CYS   9  -1.899   3.089   2.002
   62    HB2  CYS   9           HB2      CYS   9  -4.152   2.004   2.184
   63    HB3  CYS   9           HB3      CYS   9  -3.829   1.155   0.667
   64    H    TYR  10           H        TYR  10  -2.783   2.189  -1.317
   65    HA   TYR  10           HA       TYR  10  -0.431   0.650  -1.786
   66    HB2  TYR  10           HB2      TYR  10  -2.545   1.798  -3.621
   67    HB3  TYR  10           HB3      TYR  10  -1.141   0.922  -4.239
   68    HD1  TYR  10           HD1      TYR  10  -4.396   0.632  -2.659
   69    HD2  TYR  10           HD2      TYR  10  -0.827  -1.456  -3.647
   70    HE1  TYR  10           HE1      TYR  10  -5.563  -1.498  -2.348
   71    HE2  TYR  10           HE2      TYR  10  -1.984  -3.588  -3.338
   72    HH   TYR  10           HH       TYR  10  -5.388  -3.820  -3.054
   73    H    GLU  11           H        GLU  11  -1.207   4.034  -2.162
   74    HA   GLU  11           HA       GLU  11   0.995   4.686  -3.835
   75    HB2  GLU  11           HB2      GLU  11  -1.206   6.056  -3.080
   76    HB3  GLU  11           HB3      GLU  11  -0.045   6.701  -1.904
   77    HG2  GLU  11           HG2      GLU  11   0.284   6.796  -4.915
   78    HG3  GLU  11           HG3      GLU  11  -0.279   8.127  -3.884
   79    H    GLN  12           H        GLN  12   0.446   5.039  -0.337
   80    HA   GLN  12           HA       GLN  12   3.070   6.129   0.029
   81    HB2  GLN  12           HB2      GLN  12   1.007   5.345   2.095
   82    HB3  GLN  12           HB3      GLN  12   2.440   6.311   2.382
   83    HG2  GLN  12           HG2      GLN  12   0.492   7.177   0.318
   84    HG3  GLN  12           HG3      GLN  12   0.138   7.438   2.015
   85   HE21  GLN  12          HE21      GLN  12   3.409   7.507   0.883
   86   HE22  GLN  12          HE22      GLN  12   3.630   9.219   1.020
   87    H    CYS  13           H        CYS  13   1.805   2.933   0.083
   88    HA   CYS  13           HA       CYS  13   3.418   1.809   2.099
   89    HB2  CYS  13           HB2      CYS  13   2.928  -0.365   1.042
   90    HB3  CYS  13           HB3      CYS  13   1.468   0.628   1.139
   91    H    ASN  14           H        ASN  14   3.938   1.703  -1.445
   92    HA   ASN  14           HA       ASN  14   6.604   0.764  -1.133
   93    HB2  ASN  14           HB2      ASN  14   6.839   1.268  -3.580
   94    HB3  ASN  14           HB3      ASN  14   5.501   0.213  -3.169
   95   HD21  ASN  14          HD21      ASN  14   5.638   3.777  -2.997
   96   HD22  ASN  14          HD22      ASN  14   4.363   4.021  -4.143
   97    H    VAL  15           H        VAL  15   5.212   3.934  -1.178
   98    HA   VAL  15           HA       VAL  15   7.540   5.415  -1.760
   99    HB   VAL  15           HB       VAL  15   5.094   6.164  -0.152
  100   HG11  VAL  15          HG11      VAL  15   6.955   7.526   0.621
  101   HG12  VAL  15          HG12      VAL  15   5.862   8.502  -0.360
  102   HG13  VAL  15          HG13      VAL  15   7.382   7.926  -1.042
  103   HG21  VAL  15          HG21      VAL  15   5.984   6.971  -2.922
  104   HG22  VAL  15          HG22      VAL  15   4.488   7.450  -2.124
  105   HG23  VAL  15          HG23      VAL  15   4.752   5.764  -2.564
  106    H    ASN  16           H        ASN  16   6.196   4.176   1.283
  107    HA   ASN  16           HA       ASN  16   8.276   5.259   2.911
  108    HB2  ASN  16           HB2      ASN  16   6.503   2.840   3.419
  109    HB3  ASN  16           HB3      ASN  16   7.513   3.649   4.622
  110   HD21  ASN  16          HD21      ASN  16   6.860   6.304   3.499
  111   HD22  ASN  16          HD22      ASN  16   5.253   6.639   4.048
  112    H    LYS  17           H        LYS  17   7.677   1.793   2.426
  113    HA   LYS  17           HA       LYS  17   9.788   1.225   0.748
  114    HB2  LYS  17           HB2      LYS  17  11.198   1.954   2.697
  115    HB3  LYS  17           HB3      LYS  17  10.526   0.597   3.612
  116    HG2  LYS  17           HG2      LYS  17  11.470  -0.975   1.987
  117    HG3  LYS  17           HG3      LYS  17  12.141   0.379   1.068
  118    HD2  LYS  17           HD2      LYS  17  13.500   1.046   2.979
  119    HD3  LYS  17           HD3      LYS  17  12.832  -0.281   3.953
  120    HE2  LYS  17           HE2      LYS  17  14.463  -0.550   1.416
  121    HE3  LYS  17           HE3      LYS  17  15.045  -0.839   3.053
  122    HZ1  LYS  17           HZ1      LYS  17  13.427  -2.641   3.246
  123    HZ2  LYS  17           HZ2      LYS  17  14.499  -2.905   1.969
  124    HZ3  LYS  17           HZ3      LYS  17  12.925  -2.377   1.652
  125    H    VAL  18           H        VAL  18   7.917  -0.117   0.035
  126    HA   VAL  18           HA       VAL  18   8.167  -2.744   1.242
  127    HB   VAL  18           HB       VAL  18   6.020  -3.167   1.887
  128   HG11  VAL  18          HG11      VAL  18   4.990  -1.334   3.080
  129   HG12  VAL  18          HG12      VAL  18   5.952  -0.167   2.173
  130   HG13  VAL  18          HG13      VAL  18   6.742  -1.293   3.276
  131   HG21  VAL  18          HG21      VAL  18   4.004  -2.177   0.957
  132   HG22  VAL  18          HG22      VAL  18   5.057  -2.831  -0.303
  133   HG23  VAL  18          HG23      VAL  18   4.985  -1.088  -0.029
  134    HA   PRO  19           HA       PRO  19   7.798  -3.895  -3.096
  135    HB2  PRO  19           HB2      PRO  19   7.196  -6.572  -2.026
  136    HB3  PRO  19           HB3      PRO  19   8.529  -6.061  -3.076
  137    HG2  PRO  19           HG2      PRO  19   8.955  -6.732  -0.513
  138    HG3  PRO  19           HG3      PRO  19   9.872  -5.440  -1.313
  139    HD2  PRO  19           HD2      PRO  19   7.558  -5.204   0.592
  140    HD3  PRO  19           HD3      PRO  19   9.059  -4.252   0.492
  141    H    PHE  20           H        PHE  20   6.077  -4.645  -4.526
  142    HA   PHE  20           HA       PHE  20   3.578  -3.685  -3.808
  143    HB2  PHE  20           HB2      PHE  20   4.348  -4.054  -6.159
  144    HB3  PHE  20           HB3      PHE  20   4.050  -5.776  -5.942
  145    HD1  PHE  20           HD1      PHE  20   1.804  -6.656  -5.890
  146    HD2  PHE  20           HD2      PHE  20   2.507  -2.476  -6.244
  147    HE1  PHE  20           HE1      PHE  20  -0.548  -6.317  -6.529
  148    HE2  PHE  20           HE2      PHE  20   0.156  -2.129  -6.885
  149    HZ   PHE  20           HZ       PHE  20  -1.375  -4.051  -7.027
  150    H    ASP  21           H        ASP  21   4.708  -7.054  -3.759
  151    HA   ASP  21           HA       ASP  21   2.232  -8.228  -3.152
  152    HB2  ASP  21           HB2      ASP  21   3.603 -10.151  -2.293
  153    HB3  ASP  21           HB3      ASP  21   3.987  -9.642  -3.936
  154    H    GLN  22           H        GLN  22   4.724  -6.879  -1.022
  155    HA   GLN  22           HA       GLN  22   3.394  -7.588   1.391
  156    HB2  GLN  22           HB2      GLN  22   5.759  -6.983   1.424
  157    HB3  GLN  22           HB3      GLN  22   5.379  -5.364   0.843
  158    HG2  GLN  22           HG2      GLN  22   4.039  -5.008   2.906
  159    HG3  GLN  22           HG3      GLN  22   4.621  -6.569   3.493
  160   HE21  GLN  22          HE21      GLN  22   7.273  -6.222   2.332
  161   HE22  GLN  22          HE22      GLN  22   8.083  -5.061   3.332
  162    H    CYS  23           H        CYS  23   3.306  -4.779  -0.744
  163    HA   CYS  23           HA       CYS  23   1.676  -3.130   0.860
  164    HB2  CYS  23           HB2      CYS  23   2.872  -2.386  -1.255
  165    HB3  CYS  23           HB3      CYS  23   1.612  -3.216  -2.171
  166    H    TYR  24           H        TYR  24   0.845  -5.486  -1.650
  167    HA   TYR  24           HA       TYR  24  -1.931  -5.296  -1.465
  168    HB2  TYR  24           HB2      TYR  24  -0.661  -6.598  -3.215
  169    HB3  TYR  24           HB3      TYR  24  -0.359  -7.839  -1.989
  170    HD1  TYR  24           HD1      TYR  24  -2.853  -6.321  -4.178
  171    HD2  TYR  24           HD2      TYR  24  -2.165  -9.253  -1.186
  172    HE1  TYR  24           HE1      TYR  24  -4.999  -7.377  -4.724
  173    HE2  TYR  24           HE2      TYR  24  -4.305 -10.319  -1.723
  174    HH   TYR  24           HH       TYR  24  -6.081  -9.568  -4.515
  175    H    GLN  25           H        GLN  25   0.394  -6.994   0.561
  176    HA   GLN  25           HA       GLN  25  -1.450  -8.717   1.831
  177    HB2  GLN  25           HB2      GLN  25   0.993  -9.088   1.850
  178    HB3  GLN  25           HB3      GLN  25   1.200  -7.644   2.842
  179    HG2  GLN  25           HG2      GLN  25   1.322  -9.617   4.228
  180    HG3  GLN  25           HG3      GLN  25  -0.136  -8.707   4.626
  181   HE21  GLN  25          HE21      GLN  25  -1.240 -10.437   5.455
  182   HE22  GLN  25          HE22      GLN  25  -1.799 -11.757   4.488
  183    H    MET  26           H        MET  26  -0.254  -5.485   2.607
  184    HA   MET  26           HA       MET  26  -1.709  -5.405   5.095
  185    HB2  MET  26           HB2      MET  26   0.377  -4.269   5.100
  186    HB3  MET  26           HB3      MET  26   0.003  -3.434   3.602
  187    HG2  MET  26           HG2      MET  26  -1.761  -2.162   4.802
  188    HG3  MET  26           HG3      MET  26  -1.243  -2.936   6.301
  189    HE1  MET  26           HE1      MET  26   1.348  -1.880   3.464
  190    HE2  MET  26           HE2      MET  26   1.522  -0.167   3.835
  191    HE3  MET  26           HE3      MET  26  -0.022  -0.790   3.256
  192    H    CYS  27           H        CYS  27  -2.018  -3.931   1.876
  193    HA   CYS  27           HA       CYS  27  -4.228  -2.292   2.738
  194    HB2  CYS  27           HB2      CYS  27  -3.240  -2.757  -0.096
  195    HB3  CYS  27           HB3      CYS  27  -4.275  -1.435   0.476
  196    H    SER  28           H        SER  28  -3.982  -5.508   1.512
  197    HA   SER  28           HA       SER  28  -6.326  -5.662   0.029
  198    HB2  SER  28           HB2      SER  28  -6.311  -8.147   0.690
  199    HB3  SER  28           HB3      SER  28  -4.931  -7.512  -0.216
  200    HG   SER  28           HG       SER  28  -3.689  -7.653   1.529
  201    HA   PRO  29           HA       PRO  29  -8.702  -6.957   4.177
  202    HB2  PRO  29           HB2      PRO  29  -7.167  -5.078   5.920
  203    HB3  PRO  29           HB3      PRO  29  -7.958  -6.608   6.342
  204    HG2  PRO  29           HG2      PRO  29  -5.330  -6.550   6.074
  205    HG3  PRO  29           HG3      PRO  29  -6.262  -7.905   5.381
  206    HD2  PRO  29           HD2      PRO  29  -5.057  -5.524   3.993
  207    HD3  PRO  29           HD3      PRO  29  -5.142  -7.222   3.461
  208    H    LEU  30           H        LEU  30  -7.332  -3.847   3.425
  209    HA   LEU  30           HA       LEU  30  -9.627  -2.309   4.249
  210    HB2  LEU  30           HB2      LEU  30  -7.154  -1.570   4.208
  211    HB3  LEU  30           HB3      LEU  30  -7.359  -1.418   2.455
  212    HG   LEU  30           HG       LEU  30  -8.834   0.178   4.577
  213   HD11  LEU  30          HD11      LEU  30  -7.522   2.058   3.652
  214   HD12  LEU  30          HD12      LEU  30  -6.639   0.911   2.641
  215   HD13  LEU  30          HD13      LEU  30  -6.512   0.820   4.399
  216   HD21  LEU  30          HD21      LEU  30  -9.718   1.501   2.738
  217   HD22  LEU  30          HD22      LEU  30 -10.215  -0.185   2.567
  218   HD23  LEU  30          HD23      LEU  30  -8.912   0.460   1.567
  219    H    GLU  31           H        GLU  31  -8.047  -3.046   1.175
  220    HA   GLU  31           HA       GLU  31 -10.054  -1.776  -0.394
  221    HB2  GLU  31           HB2      GLU  31  -7.684  -1.943  -1.096
  222    HB3  GLU  31           HB3      GLU  31  -7.866  -3.694  -1.243
  223    HG2  GLU  31           HG2      GLU  31  -9.513  -3.379  -3.020
  224    HG3  GLU  31           HG3      GLU  31  -9.341  -1.626  -2.881
  225    H    ARG  32           H        ARG  32  -9.646  -5.019   0.773
  226    HA   ARG  32           HA       ARG  32 -12.118  -5.776  -0.595
  227    HB2  ARG  32           HB2      ARG  32  -9.899  -6.569  -1.791
  228    HB3  ARG  32           HB3      ARG  32  -9.824  -7.728  -0.458
  229    HG2  ARG  32           HG2      ARG  32 -10.885  -8.959  -2.109
  230    HG3  ARG  32           HG3      ARG  32 -12.251  -8.339  -1.183
  231    HD2  ARG  32           HD2      ARG  32 -12.497  -8.186  -3.673
  232    HD3  ARG  32           HD3      ARG  32 -12.704  -6.657  -2.828
  233    HE   ARG  32           HE       ARG  32 -10.069  -7.300  -3.932
  234   HH11  ARG  32          HH11      ARG  32 -13.019  -5.422  -4.133
  235   HH12  ARG  32          HH12      ARG  32 -12.345  -4.249  -5.221
  236   HH21  ARG  32          HH21      ARG  32  -9.186  -5.765  -5.372
  237   HH22  ARG  32          HH22      ARG  32 -10.170  -4.449  -5.929
  238    H    SER  33           H        SER  33 -13.489  -6.425   0.946
  239    HA   SER  33           HA       SER  33 -12.361  -7.775   3.313
  240    HB2  SER  33           HB2      SER  33 -14.710  -5.856   3.381
  241    HB3  SER  33           HB3      SER  33 -13.867  -6.563   4.757
  242    HG   SER  33           HG       SER  33 -11.945  -5.426   3.880
  Start of MODEL   35
    1    HA   ALA   1           HA       ALA   1 -16.983   3.677   0.027
    2    HB1  ALA   1           HB1      ALA   1 -18.825   5.825   1.067
    3    HB2  ALA   1           HB2      ALA   1 -19.333   4.339   0.267
    4    HB3  ALA   1           HB3      ALA   1 -18.397   5.540  -0.620
    5    H    SER   2           H        SER   2 -14.894   4.198  -0.050
    6    HA   SER   2           HA       SER   2 -14.064   6.905   0.078
    7    HB2  SER   2           HB2      SER   2 -14.218   6.277   2.576
    8    HB3  SER   2           HB3      SER   2 -12.866   5.188   2.273
    9    HG   SER   2           HG       SER   2 -12.883   7.995   1.827
   10    HA   PRO   3           HA       PRO   3 -11.666   3.680  -2.463
   11    HB2  PRO   3           HB2      PRO   3 -11.882   6.017  -4.316
   12    HB3  PRO   3           HB3      PRO   3 -11.997   4.277  -4.673
   13    HG2  PRO   3           HG2      PRO   3 -14.188   5.753  -4.606
   14    HG3  PRO   3           HG3      PRO   3 -14.177   4.135  -3.872
   15    HD2  PRO   3           HD2      PRO   3 -14.042   6.819  -2.503
   16    HD3  PRO   3           HD3      PRO   3 -14.903   5.328  -2.012
   17    H    GLN   4           H        GLN   4 -11.296   7.082  -1.751
   18    HA   GLN   4           HA       GLN   4  -8.659   7.467  -2.573
   19    HB2  GLN   4           HB2      GLN   4 -10.127   9.320  -2.009
   20    HB3  GLN   4           HB3      GLN   4 -10.221   8.772  -0.342
   21    HG2  GLN   4           HG2      GLN   4  -7.866   9.264  -0.019
   22    HG3  GLN   4           HG3      GLN   4  -7.713   9.747  -1.706
   23   HE21  GLN   4          HE21      GLN   4 -10.527  10.507   0.217
   24   HE22  GLN   4          HE22      GLN   4 -10.233  12.211   0.320
   25    H    GLN   5           H        GLN   5  -9.971   6.181   0.435
   26    HA   GLN   5           HA       GLN   5  -7.550   6.282   1.890
   27    HB2  GLN   5           HB2      GLN   5  -8.623   5.065   3.585
   28    HB3  GLN   5           HB3      GLN   5  -9.925   5.958   2.817
   29    HG2  GLN   5           HG2      GLN   5 -10.421   3.892   1.480
   30    HG3  GLN   5           HG3      GLN   5  -9.260   3.043   2.493
   31   HE21  GLN   5          HE21      GLN   5 -10.043   4.642   4.866
   32   HE22  GLN   5          HE22      GLN   5 -11.569   3.997   5.369
   33    H    ALA   6           H        ALA   6  -8.946   3.894  -0.235
   34    HA   ALA   6           HA       ALA   6  -6.961   1.897   0.248
   35    HB1  ALA   6           HB1      ALA   6  -9.119   1.240  -0.646
   36    HB2  ALA   6           HB2      ALA   6  -7.841   0.816  -1.788
   37    HB3  ALA   6           HB3      ALA   6  -8.850   2.232  -2.082
   38    H    LYS   7           H        LYS   7  -7.402   4.446  -2.142
   39    HA   LYS   7           HA       LYS   7  -5.194   3.803  -3.766
   40    HB2  LYS   7           HB2      LYS   7  -7.006   5.349  -4.446
   41    HB3  LYS   7           HB3      LYS   7  -6.452   6.512  -3.253
   42    HG2  LYS   7           HG2      LYS   7  -5.708   7.163  -5.448
   43    HG3  LYS   7           HG3      LYS   7  -4.306   6.706  -4.446
   44    HD2  LYS   7           HD2      LYS   7  -4.225   4.518  -5.527
   45    HD3  LYS   7           HD3      LYS   7  -5.669   4.899  -6.472
   46    HE2  LYS   7           HE2      LYS   7  -3.572   5.175  -7.779
   47    HE3  LYS   7           HE3      LYS   7  -4.484   6.676  -7.627
   48    HZ1  LYS   7           HZ1      LYS   7  -2.991   7.381  -5.876
   49    HZ2  LYS   7           HZ2      LYS   7  -2.109   7.003  -7.268
   50    HZ3  LYS   7           HZ3      LYS   7  -2.139   5.921  -5.971
   51    H    TYR   8           H        TYR   8  -5.516   5.749  -0.851
   52    HA   TYR   8           HA       TYR   8  -2.896   6.797  -0.812
   53    HB2  TYR   8           HB2      TYR   8  -4.847   7.608   0.567
   54    HB3  TYR   8           HB3      TYR   8  -4.636   6.182   1.583
   55    HD1  TYR   8           HD1      TYR   8  -2.902   6.077   3.222
   56    HD2  TYR   8           HD2      TYR   8  -3.103   9.354   0.522
   57    HE1  TYR   8           HE1      TYR   8  -1.265   7.296   4.591
   58    HE2  TYR   8           HE2      TYR   8  -1.472  10.588   1.883
   59    HH   TYR   8           HH       TYR   8   0.315   9.088   4.407
   60    H    CYS   9           H        CYS   9  -4.308   3.846   0.506
   61    HA   CYS   9           HA       CYS   9  -2.092   3.000   2.016
   62    HB2  CYS   9           HB2      CYS   9  -4.449   2.065   2.131
   63    HB3  CYS   9           HB3      CYS   9  -4.088   1.161   0.654
   64    H    TYR  10           H        TYR  10  -3.031   2.336  -1.334
   65    HA   TYR  10           HA       TYR  10  -0.777   0.618  -1.800
   66    HB2  TYR  10           HB2      TYR  10  -2.911   1.776  -3.598
   67    HB3  TYR  10           HB3      TYR  10  -1.552   0.851  -4.239
   68    HD1  TYR  10           HD1      TYR  10  -4.796   0.678  -2.676
   69    HD2  TYR  10           HD2      TYR  10  -1.235  -1.511  -3.467
   70    HE1  TYR  10           HE1      TYR  10  -6.000  -1.420  -2.272
   71    HE2  TYR  10           HE2      TYR  10  -2.428  -3.608  -3.066
   72    HH   TYR  10           HH       TYR  10  -5.693  -3.912  -3.026
   73    H    GLU  11           H        GLU  11  -1.375   4.038  -2.168
   74    HA   GLU  11           HA       GLU  11   0.772   4.450  -3.999
   75    HB2  GLU  11           HB2      GLU  11  -1.100   6.045  -3.875
   76    HB3  GLU  11           HB3      GLU  11  -0.636   6.462  -2.210
   77    HG2  GLU  11           HG2      GLU  11   1.528   7.289  -3.054
   78    HG3  GLU  11           HG3      GLU  11   0.986   6.942  -4.711
   79    H    GLN  12           H        GLN  12   0.426   4.911  -0.468
   80    HA   GLN  12           HA       GLN  12   3.079   6.006  -0.315
   81    HB2  GLN  12           HB2      GLN  12   1.051   5.364   1.831
   82    HB3  GLN  12           HB3      GLN  12   2.580   6.178   2.119
   83    HG2  GLN  12           HG2      GLN  12   0.708   7.267   0.082
   84    HG3  GLN  12           HG3      GLN  12   0.389   7.536   1.789
   85   HE21  GLN  12          HE21      GLN  12   3.647   7.273   0.640
   86   HE22  GLN  12          HE22      GLN  12   4.052   8.946   0.801
   87    H    CYS  13           H        CYS  13   1.733   2.861  -0.047
   88    HA   CYS  13           HA       CYS  13   3.335   1.720   1.934
   89    HB2  CYS  13           HB2      CYS  13   2.814  -0.448   0.861
   90    HB3  CYS  13           HB3      CYS  13   1.376   0.575   0.966
   91    H    ASN  14           H        ASN  14   3.903   1.598  -1.603
   92    HA   ASN  14           HA       ASN  14   6.540   0.561  -1.292
   93    HB2  ASN  14           HB2      ASN  14   6.797   1.111  -3.721
   94    HB3  ASN  14           HB3      ASN  14   5.378   0.143  -3.357
   95   HD21  ASN  14          HD21      ASN  14   6.478   3.385  -4.263
   96   HD22  ASN  14          HD22      ASN  14   4.930   3.921  -4.834
   97    H    VAL  15           H        VAL  15   5.231   3.780  -1.377
   98    HA   VAL  15           HA       VAL  15   7.611   5.168  -1.963
   99    HB   VAL  15           HB       VAL  15   5.163   6.068  -0.436
  100   HG11  VAL  15          HG11      VAL  15   5.998   8.364  -0.777
  101   HG12  VAL  15          HG12      VAL  15   7.501   7.708  -1.423
  102   HG13  VAL  15          HG13      VAL  15   7.065   7.418   0.261
  103   HG21  VAL  15          HG21      VAL  15   6.092   6.616  -3.259
  104   HG22  VAL  15          HG22      VAL  15   4.648   7.289  -2.504
  105   HG23  VAL  15          HG23      VAL  15   4.764   5.555  -2.794
  106    H    ASN  16           H        ASN  16   6.181   4.043   1.078
  107    HA   ASN  16           HA       ASN  16   8.170   5.244   2.740
  108    HB2  ASN  16           HB2      ASN  16   6.458   2.797   3.311
  109    HB3  ASN  16           HB3      ASN  16   7.345   3.755   4.501
  110   HD21  ASN  16          HD21      ASN  16   6.609   6.272   3.126
  111   HD22  ASN  16          HD22      ASN  16   4.959   6.548   3.569
  112    H    LYS  17           H        LYS  17   7.653   1.741   2.468
  113    HA   LYS  17           HA       LYS  17   9.824   1.113   0.915
  114    HB2  LYS  17           HB2      LYS  17  11.492   0.223   2.462
  115    HB3  LYS  17           HB3      LYS  17  11.261   1.955   2.717
  116    HG2  LYS  17           HG2      LYS  17   9.946  -0.148   4.435
  117    HG3  LYS  17           HG3      LYS  17  11.546   0.510   4.779
  118    HD2  LYS  17           HD2      LYS  17  10.587   2.776   4.904
  119    HD3  LYS  17           HD3      LYS  17   8.965   2.111   4.606
  120    HE2  LYS  17           HE2      LYS  17  10.769   1.448   6.948
  121    HE3  LYS  17           HE3      LYS  17   9.372   2.521   6.999
  122    HZ1  LYS  17           HZ1      LYS  17   9.359  -0.398   6.459
  123    HZ2  LYS  17           HZ2      LYS  17   8.000   0.593   6.327
  124    HZ3  LYS  17           HZ3      LYS  17   8.747   0.386   7.826
  125    H    VAL  18           H        VAL  18   8.037  -0.263   0.187
  126    HA   VAL  18           HA       VAL  18   8.221  -2.846   1.509
  127    HB   VAL  18           HB       VAL  18   5.993  -3.274   1.931
  128   HG11  VAL  18          HG11      VAL  18   6.022  -0.288   2.351
  129   HG12  VAL  18          HG12      VAL  18   6.700  -1.489   3.447
  130   HG13  VAL  18          HG13      VAL  18   4.965  -1.456   3.145
  131   HG21  VAL  18          HG21      VAL  18   4.089  -2.132   0.916
  132   HG22  VAL  18          HG22      VAL  18   5.187  -2.813  -0.292
  133   HG23  VAL  18          HG23      VAL  18   5.197  -1.077   0.033
  134    HA   PRO  19           HA       PRO  19   8.117  -4.189  -2.795
  135    HB2  PRO  19           HB2      PRO  19   7.282  -6.763  -1.620
  136    HB3  PRO  19           HB3      PRO  19   8.687  -6.401  -2.638
  137    HG2  PRO  19           HG2      PRO  19   8.966  -6.942  -0.025
  138    HG3  PRO  19           HG3      PRO  19   9.995  -5.758  -0.855
  139    HD2  PRO  19           HD2      PRO  19   7.647  -5.275   0.952
  140    HD3  PRO  19           HD3      PRO  19   9.190  -4.397   0.823
  141    H    PHE  20           H        PHE  20   6.425  -4.880  -4.309
  142    HA   PHE  20           HA       PHE  20   3.935  -3.798  -3.684
  143    HB2  PHE  20           HB2      PHE  20   4.784  -4.171  -6.013
  144    HB3  PHE  20           HB3      PHE  20   4.376  -5.875  -5.830
  145    HD1  PHE  20           HD1      PHE  20   3.036  -2.485  -6.134
  146    HD2  PHE  20           HD2      PHE  20   2.083  -6.621  -5.820
  147    HE1  PHE  20           HE1      PHE  20   0.716  -1.996  -6.788
  148    HE2  PHE  20           HE2      PHE  20  -0.238  -6.138  -6.482
  149    HZ   PHE  20           HZ       PHE  20  -0.924  -3.825  -6.964
  150    H    ASP  21           H        ASP  21   4.929  -7.209  -3.641
  151    HA   ASP  21           HA       ASP  21   2.400  -8.298  -3.095
  152    HB2  ASP  21           HB2      ASP  21   3.596 -10.282  -2.276
  153    HB3  ASP  21           HB3      ASP  21   4.273  -9.710  -3.797
  154    H    GLN  22           H        GLN  22   4.850  -6.939  -0.975
  155    HA   GLN  22           HA       GLN  22   3.541  -7.554   1.470
  156    HB2  GLN  22           HB2      GLN  22   5.918  -6.958   1.369
  157    HB3  GLN  22           HB3      GLN  22   5.493  -5.337   0.822
  158    HG2  GLN  22           HG2      GLN  22   6.024  -5.313   3.169
  159    HG3  GLN  22           HG3      GLN  22   4.307  -4.952   2.931
  160   HE21  GLN  22          HE21      GLN  22   3.787  -5.567   5.024
  161   HE22  GLN  22          HE22      GLN  22   3.751  -7.230   5.511
  162    H    CYS  23           H        CYS  23   3.439  -4.817  -0.765
  163    HA   CYS  23           HA       CYS  23   1.792  -3.123   0.775
  164    HB2  CYS  23           HB2      CYS  23   2.960  -2.390  -1.330
  165    HB3  CYS  23           HB3      CYS  23   1.795  -3.341  -2.255
  166    H    TYR  24           H        TYR  24   0.987  -5.590  -1.636
  167    HA   TYR  24           HA       TYR  24  -1.799  -5.390  -1.417
  168    HB2  TYR  24           HB2      TYR  24  -0.557  -6.685  -3.192
  169    HB3  TYR  24           HB3      TYR  24  -0.232  -7.929  -1.973
  170    HD1  TYR  24           HD1      TYR  24  -2.029  -9.351  -1.143
  171    HD2  TYR  24           HD2      TYR  24  -2.769  -6.403  -4.113
  172    HE1  TYR  24           HE1      TYR  24  -4.183 -10.414  -1.651
  173    HE2  TYR  24           HE2      TYR  24  -4.922  -7.457  -4.631
  174    HH   TYR  24           HH       TYR  24  -6.320  -9.890  -2.643
  175    H    GLN  25           H        GLN  25   0.589  -7.073   0.544
  176    HA   GLN  25           HA       GLN  25  -1.205  -8.800   1.870
  177    HB2  GLN  25           HB2      GLN  25   1.270  -9.090   1.785
  178    HB3  GLN  25           HB3      GLN  25   1.436  -7.706   2.867
  179    HG2  GLN  25           HG2      GLN  25   1.629  -9.843   4.058
  180    HG3  GLN  25           HG3      GLN  25   0.248  -8.899   4.621
  181   HE21  GLN  25          HE21      GLN  25  -1.829  -9.605   4.165
  182   HE22  GLN  25          HE22      GLN  25  -2.160 -11.214   3.614
  183    H    MET  26           H        MET  26  -0.149  -5.510   2.498
  184    HA   MET  26           HA       MET  26  -1.483  -5.435   5.061
  185    HB2  MET  26           HB2      MET  26   0.504  -4.182   5.020
  186    HB3  MET  26           HB3      MET  26   0.129  -3.482   3.455
  187    HG2  MET  26           HG2      MET  26  -1.675  -2.161   4.504
  188    HG3  MET  26           HG3      MET  26  -1.215  -2.824   6.073
  189    HE1  MET  26           HE1      MET  26   1.579  -1.996   3.378
  190    HE2  MET  26           HE2      MET  26   1.698  -0.248   3.571
  191    HE3  MET  26           HE3      MET  26   0.222  -0.964   2.926
  192    H    CYS  27           H        CYS  27  -1.976  -4.012   1.833
  193    HA   CYS  27           HA       CYS  27  -4.295  -2.555   2.779
  194    HB2  CYS  27           HB2      CYS  27  -3.234  -2.778  -0.057
  195    HB3  CYS  27           HB3      CYS  27  -4.401  -1.591   0.554
  196    H    SER  28           H        SER  28  -3.849  -5.711   1.680
  197    HA   SER  28           HA       SER  28  -6.097  -6.070   0.068
  198    HB2  SER  28           HB2      SER  28  -5.962  -8.512   0.965
  199    HB3  SER  28           HB3      SER  28  -4.660  -7.868  -0.041
  200    HG   SER  28           HG       SER  28  -3.363  -7.765   1.668
  201    HA   PRO  29           HA       PRO  29  -8.630  -7.178   4.180
  202    HB2  PRO  29           HB2      PRO  29  -7.201  -5.129   5.827
  203    HB3  PRO  29           HB3      PRO  29  -7.999  -6.628   6.344
  204    HG2  PRO  29           HG2      PRO  29  -5.362  -6.563   6.191
  205    HG3  PRO  29           HG3      PRO  29  -6.250  -7.981   5.569
  206    HD2  PRO  29           HD2      PRO  29  -4.992  -5.714   4.048
  207    HD3  PRO  29           HD3      PRO  29  -5.051  -7.449   3.651
  208    H    LEU  30           H        LEU  30  -7.274  -4.133   3.190
  209    HA   LEU  30           HA       LEU  30  -9.612  -2.588   3.862
  210    HB2  LEU  30           HB2      LEU  30  -7.110  -1.834   3.807
  211    HB3  LEU  30           HB3      LEU  30  -7.377  -1.677   2.062
  212    HG   LEU  30           HG       LEU  30  -8.824  -0.148   4.251
  213   HD11  LEU  30          HD11      LEU  30  -6.581   0.633   3.993
  214   HD12  LEU  30          HD12      LEU  30  -7.653   1.785   3.193
  215   HD13  LEU  30          HD13      LEU  30  -6.726   0.628   2.237
  216   HD21  LEU  30          HD21      LEU  30 -10.253  -0.622   2.261
  217   HD22  LEU  30          HD22      LEU  30  -9.059   0.201   1.258
  218   HD23  LEU  30          HD23      LEU  30  -9.923   1.092   2.508
  219    H    GLU  31           H        GLU  31  -7.882  -3.178   0.793
  220    HA   GLU  31           HA       GLU  31 -10.233  -2.348  -0.673
  221    HB2  GLU  31           HB2      GLU  31  -7.748  -1.886  -1.288
  222    HB3  GLU  31           HB3      GLU  31  -7.768  -3.534  -1.930
  223    HG2  GLU  31           HG2      GLU  31  -9.657  -1.345  -2.820
  224    HG3  GLU  31           HG3      GLU  31  -8.144  -1.756  -3.637
  225    H    ARG  32           H        ARG  32  -8.182  -5.238  -1.118
  226    HA   ARG  32           HA       ARG  32 -10.449  -6.987  -0.903
  227    HB2  ARG  32           HB2      ARG  32 -10.805  -6.172  -3.188
  228    HB3  ARG  32           HB3      ARG  32  -9.127  -6.545  -3.599
  229    HG2  ARG  32           HG2      ARG  32 -10.606  -8.242  -4.530
  230    HG3  ARG  32           HG3      ARG  32  -9.577  -8.947  -3.282
  231    HD2  ARG  32           HD2      ARG  32 -12.125  -9.509  -3.371
  232    HD3  ARG  32           HD3      ARG  32 -11.331  -9.259  -1.821
  233    HE   ARG  32           HE       ARG  32 -12.705  -7.012  -3.123
  234   HH11  ARG  32          HH11      ARG  32 -12.567  -9.349  -0.523
  235   HH12  ARG  32          HH12      ARG  32 -13.658  -8.471   0.496
  236   HH21  ARG  32          HH21      ARG  32 -14.147  -5.855  -1.794
  237   HH22  ARG  32          HH22      ARG  32 -14.564  -6.482  -0.229
  238    H    SER  33           H        SER  33  -9.772  -8.853  -0.110
  239    HA   SER  33           HA       SER  33  -6.920  -9.503  -0.295
  240    HB2  SER  33           HB2      SER  33  -7.730 -11.177   1.606
  241    HB3  SER  33           HB3      SER  33  -7.425  -9.479   1.982
  242    HG   SER  33           HG       SER  33  -9.701 -10.851   2.218
  Start of MODEL   36
    1    HA   ALA   1           HA       ALA   1 -14.404  -1.218   0.004
    2    HB1  ALA   1           HB1      ALA   1 -15.490   0.138  -1.700
    3    HB2  ALA   1           HB2      ALA   1 -16.878   0.385  -0.641
    4    HB3  ALA   1           HB3      ALA   1 -16.511  -1.229  -1.253
    5    H    SER   2           H        SER   2 -13.152   0.639  -0.564
    6    HA   SER   2           HA       SER   2 -13.524   3.165   0.741
    7    HB2  SER   2           HB2      SER   2 -12.712   1.596   2.625
    8    HB3  SER   2           HB3      SER   2 -11.179   1.524   1.752
    9    HG   SER   2           HG       SER   2 -11.629   4.033   1.867
   10    HA   PRO   3           HA       PRO   3 -11.015   2.456  -3.254
   11    HB2  PRO   3           HB2      PRO   3 -12.518   4.972  -3.836
   12    HB3  PRO   3           HB3      PRO   3 -12.139   3.607  -4.912
   13    HG2  PRO   3           HG2      PRO   3 -14.568   3.848  -3.920
   14    HG3  PRO   3           HG3      PRO   3 -13.780   2.256  -3.974
   15    HD2  PRO   3           HD2      PRO   3 -14.191   4.069  -1.604
   16    HD3  PRO   3           HD3      PRO   3 -14.269   2.284  -1.706
   17    H    GLN   4           H        GLN   4 -11.628   5.630  -1.730
   18    HA   GLN   4           HA       GLN   4  -9.273   6.799  -2.798
   19    HB2  GLN   4           HB2      GLN   4 -11.068   7.672  -0.537
   20    HB3  GLN   4           HB3      GLN   4  -9.696   8.617  -1.102
   21    HG2  GLN   4           HG2      GLN   4 -12.075   7.823  -2.784
   22    HG3  GLN   4           HG3      GLN   4 -11.821   9.408  -2.058
   23   HE21  GLN   4          HE21      GLN   4  -8.956   9.407  -2.579
   24   HE22  GLN   4          HE22      GLN   4  -8.774   9.664  -4.283
   25    H    GLN   5           H        GLN   5 -10.051   5.510   0.402
   26    HA   GLN   5           HA       GLN   5  -7.515   6.111   1.512
   27    HB2  GLN   5           HB2      GLN   5  -9.655   4.175   2.371
   28    HB3  GLN   5           HB3      GLN   5  -8.164   4.400   3.268
   29    HG2  GLN   5           HG2      GLN   5  -8.708   6.761   3.605
   30    HG3  GLN   5           HG3      GLN   5 -10.200   6.553   2.694
   31   HE21  GLN   5          HE21      GLN   5  -8.987   4.104   4.855
   32   HE22  GLN   5          HE22      GLN   5 -10.205   4.292   6.065
   33    H    ALA   6           H        ALA   6  -8.797   3.333  -0.184
   34    HA   ALA   6           HA       ALA   6  -6.592   1.612   0.202
   35    HB1  ALA   6           HB1      ALA   6  -8.483   1.761  -2.148
   36    HB2  ALA   6           HB2      ALA   6  -8.724   0.805  -0.686
   37    HB3  ALA   6           HB3      ALA   6  -7.398   0.423  -1.786
   38    H    LYS   7           H        LYS   7  -7.296   4.105  -2.185
   39    HA   LYS   7           HA       LYS   7  -5.067   3.663  -3.851
   40    HB2  LYS   7           HB2      LYS   7  -7.034   5.004  -4.519
   41    HB3  LYS   7           HB3      LYS   7  -6.590   6.232  -3.345
   42    HG2  LYS   7           HG2      LYS   7  -5.954   6.913  -5.572
   43    HG3  LYS   7           HG3      LYS   7  -4.509   6.655  -4.562
   44    HD2  LYS   7           HD2      LYS   7  -4.185   4.444  -5.585
   45    HD3  LYS   7           HD3      LYS   7  -5.637   4.669  -6.567
   46    HE2  LYS   7           HE2      LYS   7  -3.566   5.137  -7.841
   47    HE3  LYS   7           HE3      LYS   7  -4.606   6.555  -7.704
   48    HZ1  LYS   7           HZ1      LYS   7  -2.292   7.107  -7.313
   49    HZ2  LYS   7           HZ2      LYS   7  -2.215   6.005  -6.035
   50    HZ3  LYS   7           HZ3      LYS   7  -3.205   7.372  -5.915
   51    H    TYR   8           H        TYR   8  -5.527   5.629  -0.961
   52    HA   TYR   8           HA       TYR   8  -2.996   6.879  -0.961
   53    HB2  TYR   8           HB2      TYR   8  -4.855   7.658   0.456
   54    HB3  TYR   8           HB3      TYR   8  -4.775   6.159   1.383
   55    HD1  TYR   8           HD1      TYR   8  -2.994   9.300   0.623
   56    HD2  TYR   8           HD2      TYR   8  -3.177   5.860   3.118
   57    HE1  TYR   8           HE1      TYR   8  -1.375  10.333   2.162
   58    HE2  TYR   8           HE2      TYR   8  -1.558   6.874   4.657
   59    HH   TYR   8           HH       TYR   8  -0.708  10.146   4.540
   60    H    CYS   9           H        CYS   9  -4.151   3.833   0.405
   61    HA   CYS   9           HA       CYS   9  -1.823   3.178   1.851
   62    HB2  CYS   9           HB2      CYS   9  -4.053   2.068   2.135
   63    HB3  CYS   9           HB3      CYS   9  -3.790   1.229   0.600
   64    H    TYR  10           H        TYR  10  -2.870   2.183  -1.407
   65    HA   TYR  10           HA       TYR  10  -0.529   0.686  -1.961
   66    HB2  TYR  10           HB2      TYR  10  -2.686   1.853  -3.733
   67    HB3  TYR  10           HB3      TYR  10  -1.298   0.984  -4.396
   68    HD1  TYR  10           HD1      TYR  10  -0.942  -1.400  -3.761
   69    HD2  TYR  10           HD2      TYR  10  -4.529   0.673  -2.794
   70    HE1  TYR  10           HE1      TYR  10  -2.080  -3.538  -3.418
   71    HE2  TYR  10           HE2      TYR  10  -5.675  -1.467  -2.447
   72    HH   TYR  10           HH       TYR  10  -5.499  -3.771  -3.042
   73    H    GLU  11           H        GLU  11  -1.256   4.080  -2.188
   74    HA   GLU  11           HA       GLU  11   0.939   4.675  -3.914
   75    HB2  GLU  11           HB2      GLU  11  -1.010   6.179  -3.778
   76    HB3  GLU  11           HB3      GLU  11  -0.620   6.527  -2.080
   77    HG2  GLU  11           HG2      GLU  11   1.536   7.483  -2.808
   78    HG3  GLU  11           HG3      GLU  11   1.053   7.211  -4.499
   79    H    GLN  12           H        GLN  12   0.433   4.936  -0.375
   80    HA   GLN  12           HA       GLN  12   3.054   6.070  -0.042
   81    HB2  GLN  12           HB2      GLN  12   0.987   5.220   1.986
   82    HB3  GLN  12           HB3      GLN  12   2.470   6.074   2.366
   83    HG2  GLN  12           HG2      GLN  12   0.384   7.123   0.493
   84    HG3  GLN  12           HG3      GLN  12   0.428   7.483   2.212
   85   HE21  GLN  12          HE21      GLN  12   1.915   7.998  -0.858
   86   HE22  GLN  12          HE22      GLN  12   2.938   9.312  -0.377
   87    H    CYS  13           H        CYS  13   1.728   2.880   0.036
   88    HA   CYS  13           HA       CYS  13   3.306   1.669   1.986
   89    HB2  CYS  13           HB2      CYS  13   2.807  -0.458   0.845
   90    HB3  CYS  13           HB3      CYS  13   1.366   0.561   0.920
   91    H    ASN  14           H        ASN  14   3.953   1.593  -1.545
   92    HA   ASN  14           HA       ASN  14   6.603   0.641  -1.137
   93    HB2  ASN  14           HB2      ASN  14   6.980   0.908  -3.495
   94    HB3  ASN  14           HB3      ASN  14   5.362   0.269  -3.268
   95   HD21  ASN  14          HD21      ASN  14   4.124   2.818  -2.609
   96   HD22  ASN  14          HD22      ASN  14   4.109   3.748  -4.066
   97    H    VAL  15           H        VAL  15   5.257   3.846  -1.278
   98    HA   VAL  15           HA       VAL  15   7.599   5.306  -1.764
   99    HB   VAL  15           HB       VAL  15   5.101   6.017  -0.229
  100   HG11  VAL  15          HG11      VAL  15   7.409   7.849  -0.892
  101   HG12  VAL  15          HG12      VAL  15   6.984   7.280   0.721
  102   HG13  VAL  15          HG13      VAL  15   5.878   8.329  -0.164
  103   HG21  VAL  15          HG21      VAL  15   4.652   7.445  -2.159
  104   HG22  VAL  15          HG22      VAL  15   4.898   5.774  -2.670
  105   HG23  VAL  15          HG23      VAL  15   6.183   6.962  -2.888
  106    H    ASN  16           H        ASN  16   6.153   4.167   1.275
  107    HA   ASN  16           HA       ASN  16   8.201   5.221   2.937
  108    HB2  ASN  16           HB2      ASN  16   6.302   2.895   3.406
  109    HB3  ASN  16           HB3      ASN  16   7.327   3.632   4.646
  110   HD21  ASN  16          HD21      ASN  16   4.427   3.459   4.638
  111   HD22  ASN  16          HD22      ASN  16   3.845   5.088   4.678
  112    H    LYS  17           H        LYS  17   7.575   1.741   2.533
  113    HA   LYS  17           HA       LYS  17   9.739   1.130   0.934
  114    HB2  LYS  17           HB2      LYS  17  11.096   1.873   2.906
  115    HB3  LYS  17           HB3      LYS  17  10.378   0.545   3.829
  116    HG2  LYS  17           HG2      LYS  17  11.358  -1.084   2.312
  117    HG3  LYS  17           HG3      LYS  17  12.021   0.215   1.314
  118    HD2  LYS  17           HD2      LYS  17  13.402   0.984   3.163
  119    HD3  LYS  17           HD3      LYS  17  12.732  -0.269   4.229
  120    HE2  LYS  17           HE2      LYS  17  13.647  -1.990   2.702
  121    HE3  LYS  17           HE3      LYS  17  14.347  -0.714   1.706
  122    HZ1  LYS  17           HZ1      LYS  17  15.996  -1.607   3.186
  123    HZ2  LYS  17           HZ2      LYS  17  15.022  -1.306   4.533
  124    HZ3  LYS  17           HZ3      LYS  17  15.652  -0.015   3.642
  125    H    VAL  18           H        VAL  18   7.883  -0.205   0.188
  126    HA   VAL  18           HA       VAL  18   8.123  -2.830   1.418
  127    HB   VAL  18           HB       VAL  18   5.899  -3.310   1.826
  128   HG11  VAL  18          HG11      VAL  18   4.866  -1.557   3.138
  129   HG12  VAL  18          HG12      VAL  18   5.924  -0.350   2.407
  130   HG13  VAL  18          HG13      VAL  18   6.605  -1.611   3.436
  131   HG21  VAL  18          HG21      VAL  18   5.070  -2.739  -0.359
  132   HG22  VAL  18          HG22      VAL  18   5.070  -1.022   0.054
  133   HG23  VAL  18          HG23      VAL  18   3.979  -2.131   0.889
  134    HA   PRO  19           HA       PRO  19   7.979  -4.001  -2.932
  135    HB2  PRO  19           HB2      PRO  19   7.261  -6.660  -1.880
  136    HB3  PRO  19           HB3      PRO  19   8.652  -6.187  -2.873
  137    HG2  PRO  19           HG2      PRO  19   8.941  -6.851  -0.285
  138    HG3  PRO  19           HG3      PRO  19   9.934  -5.598  -1.055
  139    HD2  PRO  19           HD2      PRO  19   7.566  -5.269   0.762
  140    HD3  PRO  19           HD3      PRO  19   9.086  -4.346   0.687
  141    H    PHE  20           H        PHE  20   6.311  -4.703  -4.443
  142    HA   PHE  20           HA       PHE  20   3.791  -3.716  -3.878
  143    HB2  PHE  20           HB2      PHE  20   4.664  -4.135  -6.177
  144    HB3  PHE  20           HB3      PHE  20   4.377  -5.855  -5.938
  145    HD1  PHE  20           HD1      PHE  20   2.163  -6.774  -6.014
  146    HD2  PHE  20           HD2      PHE  20   2.793  -2.578  -6.352
  147    HE1  PHE  20           HE1      PHE  20  -0.158  -6.489  -6.778
  148    HE2  PHE  20           HE2      PHE  20   0.471  -2.286  -7.114
  149    HZ   PHE  20           HZ       PHE  20  -1.008  -4.245  -7.326
  150    H    ASP  21           H        ASP  21   4.881  -7.089  -3.694
  151    HA   ASP  21           HA       ASP  21   2.376  -8.239  -3.158
  152    HB2  ASP  21           HB2      ASP  21   3.682 -10.139  -2.212
  153    HB3  ASP  21           HB3      ASP  21   4.222  -9.645  -3.812
  154    H    GLN  22           H        GLN  22   4.836  -6.903  -0.973
  155    HA   GLN  22           HA       GLN  22   3.456  -7.475   1.426
  156    HB2  GLN  22           HB2      GLN  22   5.801  -6.868   1.469
  157    HB3  GLN  22           HB3      GLN  22   5.435  -5.288   0.785
  158    HG2  GLN  22           HG2      GLN  22   5.826  -5.048   3.128
  159    HG3  GLN  22           HG3      GLN  22   4.114  -4.758   2.800
  160   HE21  GLN  22          HE21      GLN  22   5.472  -5.519   5.274
  161   HE22  GLN  22          HE22      GLN  22   4.714  -6.988   5.796
  162    H    CYS  23           H        CYS  23   3.371  -4.768  -0.829
  163    HA   CYS  23           HA       CYS  23   1.695  -3.071   0.670
  164    HB2  CYS  23           HB2      CYS  23   2.920  -2.399  -1.448
  165    HB3  CYS  23           HB3      CYS  23   1.700  -3.296  -2.355
  166    H    TYR  24           H        TYR  24   0.939  -5.606  -1.687
  167    HA   TYR  24           HA       TYR  24  -1.849  -5.360  -1.576
  168    HB2  TYR  24           HB2      TYR  24  -0.609  -6.737  -3.267
  169    HB3  TYR  24           HB3      TYR  24  -0.285  -7.929  -1.995
  170    HD1  TYR  24           HD1      TYR  24  -2.886  -6.415  -4.105
  171    HD2  TYR  24           HD2      TYR  24  -2.012  -9.405  -1.216
  172    HE1  TYR  24           HE1      TYR  24  -5.049  -7.478  -4.566
  173    HE2  TYR  24           HE2      TYR  24  -4.173 -10.478  -1.663
  174    HH   TYR  24           HH       TYR  24  -6.377  -9.890  -2.557
  175    H    GLN  25           H        GLN  25   0.416  -6.991   0.568
  176    HA   GLN  25           HA       GLN  25  -1.587  -8.587   1.849
  177    HB2  GLN  25           HB2      GLN  25   1.266  -7.925   2.577
  178    HB3  GLN  25           HB3      GLN  25   0.236  -8.896   3.620
  179    HG2  GLN  25           HG2      GLN  25   0.974  -9.588   0.765
  180    HG3  GLN  25           HG3      GLN  25   1.678 -10.295   2.215
  181   HE21  GLN  25          HE21      GLN  25  -0.886 -10.342   3.626
  182   HE22  GLN  25          HE22      GLN  25  -1.793 -11.635   2.917
  183    H    MET  26           H        MET  26  -0.292  -5.394   2.370
  184    HA   MET  26           HA       MET  26  -1.611  -5.179   4.947
  185    HB2  MET  26           HB2      MET  26   0.552  -4.136   4.778
  186    HB3  MET  26           HB3      MET  26   0.067  -3.260   3.338
  187    HG2  MET  26           HG2      MET  26  -1.570  -1.992   4.702
  188    HG3  MET  26           HG3      MET  26  -0.960  -2.816   6.137
  189    HE1  MET  26           HE1      MET  26   1.290  -1.626   3.084
  190    HE2  MET  26           HE2      MET  26   1.635   0.031   3.575
  191    HE3  MET  26           HE3      MET  26  -0.010  -0.437   3.148
  192    H    CYS  27           H        CYS  27  -1.928  -3.817   1.681
  193    HA   CYS  27           HA       CYS  27  -4.085  -2.095   2.525
  194    HB2  CYS  27           HB2      CYS  27  -3.068  -2.614  -0.288
  195    HB3  CYS  27           HB3      CYS  27  -4.110  -1.279   0.242
  196    H    SER  28           H        SER  28  -3.885  -5.268   1.043
  197    HA   SER  28           HA       SER  28  -6.391  -5.237  -0.212
  198    HB2  SER  28           HB2      SER  28  -4.715  -6.999  -0.670
  199    HB3  SER  28           HB3      SER  28  -5.058  -7.701   0.919
  200    HG   SER  28           HG       SER  28  -7.034  -7.269  -1.070
  201    HA   PRO  29           HA       PRO  29  -8.236  -7.117   3.979
  202    HB2  PRO  29           HB2      PRO  29  -6.376  -5.606   5.762
  203    HB3  PRO  29           HB3      PRO  29  -7.182  -7.165   6.037
  204    HG2  PRO  29           HG2      PRO  29  -4.615  -7.136   5.400
  205    HG3  PRO  29           HG3      PRO  29  -5.704  -8.327   4.641
  206    HD2  PRO  29           HD2      PRO  29  -4.579  -5.782   3.498
  207    HD3  PRO  29           HD3      PRO  29  -4.821  -7.364   2.719
  208    H    LEU  30           H        LEU  30  -6.879  -3.960   3.436
  209    HA   LEU  30           HA       LEU  30  -8.934  -2.503   4.830
  210    HB2  LEU  30           HB2      LEU  30  -6.521  -1.732   4.311
  211    HB3  LEU  30           HB3      LEU  30  -7.107  -1.444   2.664
  212    HG   LEU  30           HG       LEU  30  -8.021  -0.026   5.194
  213   HD11  LEU  30          HD11      LEU  30  -6.463   0.905   2.780
  214   HD12  LEU  30          HD12      LEU  30  -5.827   0.663   4.409
  215   HD13  LEU  30          HD13      LEU  30  -7.012   1.934   4.105
  216   HD21  LEU  30          HD21      LEU  30  -8.921   0.415   2.337
  217   HD22  LEU  30          HD22      LEU  30  -9.368   1.398   3.733
  218   HD23  LEU  30          HD23      LEU  30  -9.898  -0.282   3.628
  219    H    GLU  31           H        GLU  31  -8.039  -2.945   1.447
  220    HA   GLU  31           HA       GLU  31 -10.278  -1.593   0.384
  221    HB2  GLU  31           HB2      GLU  31  -8.166  -1.841  -0.844
  222    HB3  GLU  31           HB3      GLU  31  -8.405  -3.589  -0.914
  223    HG2  GLU  31           HG2      GLU  31 -10.421  -3.244  -2.274
  224    HG3  GLU  31           HG3      GLU  31 -10.130  -1.501  -2.246
  225    H    ARG  32           H        ARG  32  -9.514  -5.057   0.081
  226    HA   ARG  32           HA       ARG  32 -10.864  -6.891  -0.287
  227    HB2  ARG  32           HB2      ARG  32 -12.525  -5.412   1.773
  228    HB3  ARG  32           HB3      ARG  32 -12.806  -7.087   1.295
  229    HG2  ARG  32           HG2      ARG  32 -10.478  -7.615   2.126
  230    HG3  ARG  32           HG3      ARG  32 -10.384  -5.961   2.733
  231    HD2  ARG  32           HD2      ARG  32 -12.192  -8.191   3.638
  232    HD3  ARG  32           HD3      ARG  32 -11.020  -7.269   4.573
  233    HE   ARG  32           HE       ARG  32 -12.988  -5.517   3.587
  234   HH11  ARG  32          HH11      ARG  32 -12.568  -8.059   5.951
  235   HH12  ARG  32          HH12      ARG  32 -13.844  -7.487   6.978
  236   HH21  ARG  32          HH21      ARG  32 -14.663  -4.756   4.939
  237   HH22  ARG  32          HH22      ARG  32 -15.037  -5.614   6.403
  238    H    SER  33           H        SER  33 -11.188  -5.164  -2.321
  239    HA   SER  33           HA       SER  33 -14.105  -5.153  -2.772
  240    HB2  SER  33           HB2      SER  33 -12.136  -3.128  -3.884
  241    HB3  SER  33           HB3      SER  33 -13.886  -3.117  -4.095
  242    HG   SER  33           HG       SER  33 -13.045  -3.222  -1.467
  Start of MODEL   37
    1    HA   ALA   1           HA       ALA   1 -14.707  -0.742  -1.580
    2    HB1  ALA   1           HB1      ALA   1 -14.540  -0.139  -3.938
    3    HB2  ALA   1           HB2      ALA   1 -16.207   0.438  -3.915
    4    HB3  ALA   1           HB3      ALA   1 -15.862  -1.274  -3.666
    5    H    SER   2           H        SER   2 -13.009   0.734  -1.809
    6    HA   SER   2           HA       SER   2 -13.604   3.593  -1.794
    7    HB2  SER   2           HB2      SER   2 -13.663   2.784   0.637
    8    HB3  SER   2           HB3      SER   2 -11.952   2.396   0.455
    9    HG   SER   2           HG       SER   2 -13.202   4.929   0.314
   10    HA   PRO   3           HA       PRO   3  -9.918   1.966  -4.271
   11    HB2  PRO   3           HB2      PRO   3 -10.997   4.178  -5.969
   12    HB3  PRO   3           HB3      PRO   3 -10.337   2.598  -6.455
   13    HG2  PRO   3           HG2      PRO   3 -12.940   2.961  -6.485
   14    HG3  PRO   3           HG3      PRO   3 -12.271   1.462  -5.803
   15    HD2  PRO   3           HD2      PRO   3 -13.341   3.875  -4.336
   16    HD3  PRO   3           HD3      PRO   3 -13.558   2.132  -3.982
   17    H    GLN   4           H        GLN   4 -10.928   5.230  -3.379
   18    HA   GLN   4           HA       GLN   4  -8.430   6.435  -4.060
   19    HB2  GLN   4           HB2      GLN   4 -10.674   7.452  -2.314
   20    HB3  GLN   4           HB3      GLN   4  -9.269   8.400  -2.782
   21    HG2  GLN   4           HG2      GLN   4 -11.365   7.275  -4.644
   22    HG3  GLN   4           HG3      GLN   4 -11.163   8.965  -4.191
   23   HE21  GLN   4          HE21      GLN   4  -8.227   8.782  -4.322
   24   HE22  GLN   4          HE22      GLN   4  -7.838   8.756  -6.010
   25    H    GLN   5           H        GLN   5  -9.902   5.395  -1.019
   26    HA   GLN   5           HA       GLN   5  -7.706   6.237   0.581
   27    HB2  GLN   5           HB2      GLN   5  -9.954   4.311   1.159
   28    HB3  GLN   5           HB3      GLN   5  -8.735   4.754   2.341
   29    HG2  GLN   5           HG2      GLN   5  -9.438   7.104   2.183
   30    HG3  GLN   5           HG3      GLN   5 -10.677   6.649   1.016
   31   HE21  GLN   5          HE21      GLN   5  -9.832   4.650   3.752
   32   HE22  GLN   5          HE22      GLN   5 -11.309   4.887   4.623
   33    H    ALA   6           H        ALA   6  -8.640   3.174  -0.881
   34    HA   ALA   6           HA       ALA   6  -6.536   1.637   0.203
   35    HB1  ALA   6           HB1      ALA   6  -8.497   0.624  -0.880
   36    HB2  ALA   6           HB2      ALA   6  -6.983   0.044  -1.577
   37    HB3  ALA   6           HB3      ALA   6  -7.943   1.244  -2.436
   38    H    LYS   7           H        LYS   7  -6.773   3.673  -2.673
   39    HA   LYS   7           HA       LYS   7  -4.255   2.972  -3.754
   40    HB2  LYS   7           HB2      LYS   7  -6.073   4.156  -5.009
   41    HB3  LYS   7           HB3      LYS   7  -5.717   5.600  -4.076
   42    HG2  LYS   7           HG2      LYS   7  -4.712   5.645  -6.315
   43    HG3  LYS   7           HG3      LYS   7  -3.497   5.732  -5.013
   44    HD2  LYS   7           HD2      LYS   7  -2.724   4.203  -6.753
   45    HD3  LYS   7           HD3      LYS   7  -3.092   3.292  -5.284
   46    HE2  LYS   7           HE2      LYS   7  -3.963   2.073  -7.177
   47    HE3  LYS   7           HE3      LYS   7  -5.315   2.737  -6.263
   48    HZ1  LYS   7           HZ1      LYS   7  -4.179   3.846  -8.769
   49    HZ2  LYS   7           HZ2      LYS   7  -5.426   4.560  -7.878
   50    HZ3  LYS   7           HZ3      LYS   7  -5.664   3.054  -8.605
   51    H    TYR   8           H        TYR   8  -5.261   5.249  -1.293
   52    HA   TYR   8           HA       TYR   8  -2.809   6.637  -1.066
   53    HB2  TYR   8           HB2      TYR   8  -4.921   7.477  -0.084
   54    HB3  TYR   8           HB3      TYR   8  -4.886   6.148   1.080
   55    HD1  TYR   8           HD1      TYR   8  -3.079   9.184  -0.017
   56    HD2  TYR   8           HD2      TYR   8  -3.613   6.301   3.062
   57    HE1  TYR   8           HE1      TYR   8  -1.711  10.554   1.495
   58    HE2  TYR   8           HE2      TYR   8  -2.249   7.663   4.582
   59    HH   TYR   8           HH       TYR   8  -0.446   9.398   4.384
   60    H    CYS   9           H        CYS   9  -4.113   3.766   0.526
   61    HA   CYS   9           HA       CYS   9  -2.002   3.289   2.314
   62    HB2  CYS   9           HB2      CYS   9  -4.254   2.144   2.305
   63    HB3  CYS   9           HB3      CYS   9  -3.694   1.172   0.938
   64    H    TYR  10           H        TYR  10  -2.534   2.161  -1.000
   65    HA   TYR  10           HA       TYR  10  -0.120   0.684  -1.176
   66    HB2  TYR  10           HB2      TYR  10  -2.091   1.688  -3.226
   67    HB3  TYR  10           HB3      TYR  10  -0.587   0.893  -3.709
   68    HD1  TYR  10           HD1      TYR  10  -0.150  -1.428  -2.992
   69    HD2  TYR  10           HD2      TYR  10  -3.939   0.404  -2.397
   70    HE1  TYR  10           HE1      TYR  10  -1.158  -3.628  -2.665
   71    HE2  TYR  10           HE2      TYR  10  -4.959  -1.799  -2.071
   72    HH   TYR  10           HH       TYR  10  -4.508  -4.152  -2.660
   73    H    GLU  11           H        GLU  11  -0.967   4.020  -1.911
   74    HA   GLU  11           HA       GLU  11   1.342   4.781  -3.301
   75    HB2  GLU  11           HB2      GLU  11  -0.760   6.157  -3.024
   76    HB3  GLU  11           HB3      GLU  11  -0.216   6.503  -1.369
   77    HG2  GLU  11           HG2      GLU  11   0.343   8.357  -2.762
   78    HG3  GLU  11           HG3      GLU  11   1.838   7.511  -2.300
   79    H    GLN  12           H        GLN  12   0.587   5.004   0.175
   80    HA   GLN  12           HA       GLN  12   3.057   6.087   0.936
   81    HB2  GLN  12           HB2      GLN  12   1.019   4.498   2.494
   82    HB3  GLN  12           HB3      GLN  12   2.441   5.209   3.234
   83    HG2  GLN  12           HG2      GLN  12   0.624   6.917   1.620
   84    HG3  GLN  12           HG3      GLN  12   0.163   6.452   3.250
   85   HE21  GLN  12          HE21      GLN  12   3.494   6.917   2.352
   86   HE22  GLN  12          HE22      GLN  12   3.733   8.375   3.252
   87    H    CYS  13           H        CYS  13   2.113   2.833   0.202
   88    HA   CYS  13           HA       CYS  13   4.196   1.484   1.497
   89    HB2  CYS  13           HB2      CYS  13   2.559   0.802  -0.942
   90    HB3  CYS  13           HB3      CYS  13   3.867  -0.245  -0.387
   91    H    ASN  14           H        ASN  14   4.059   2.733  -1.866
   92    HA   ASN  14           HA       ASN  14   6.797   1.998  -2.307
   93    HB2  ASN  14           HB2      ASN  14   6.535   3.311  -4.449
   94    HB3  ASN  14           HB3      ASN  14   5.391   1.996  -4.231
   95   HD21  ASN  14          HD21      ASN  14   5.741   5.522  -4.181
   96   HD22  ASN  14          HD22      ASN  14   4.042   5.848  -4.349
   97    H    VAL  15           H        VAL  15   5.139   4.812  -1.152
   98    HA   VAL  15           HA       VAL  15   7.243   6.663  -1.430
   99    HB   VAL  15           HB       VAL  15   5.013   6.561   0.607
  100   HG11  VAL  15          HG11      VAL  15   5.524   8.920   1.062
  101   HG12  VAL  15          HG12      VAL  15   6.923   8.821  -0.005
  102   HG13  VAL  15          HG13      VAL  15   6.882   7.874   1.482
  103   HG21  VAL  15          HG21      VAL  15   5.356   8.192  -1.911
  104   HG22  VAL  15          HG22      VAL  15   4.014   8.325  -0.779
  105   HG23  VAL  15          HG23      VAL  15   4.246   6.840  -1.697
  106    H    ASN  16           H        ASN  16   6.402   4.398   1.197
  107    HA   ASN  16           HA       ASN  16   8.625   5.412   2.774
  108    HB2  ASN  16           HB2      ASN  16   6.706   3.140   3.373
  109    HB3  ASN  16           HB3      ASN  16   7.867   3.844   4.503
  110   HD21  ASN  16          HD21      ASN  16   7.370   6.563   3.512
  111   HD22  ASN  16          HD22      ASN  16   5.835   7.018   4.178
  112    H    LYS  17           H        LYS  17   7.729   2.000   2.294
  113    HA   LYS  17           HA       LYS  17   9.803   1.224   0.650
  114    HB2  LYS  17           HB2      LYS  17  11.124  -0.055   2.570
  115    HB3  LYS  17           HB3      LYS  17  11.578   1.575   2.059
  116    HG2  LYS  17           HG2      LYS  17  11.637   1.523   4.438
  117    HG3  LYS  17           HG3      LYS  17  10.226   2.470   3.969
  118    HD2  LYS  17           HD2      LYS  17   8.807   0.428   4.349
  119    HD3  LYS  17           HD3      LYS  17  10.265  -0.401   4.932
  120    HE2  LYS  17           HE2      LYS  17   9.138   2.130   6.137
  121    HE3  LYS  17           HE3      LYS  17   8.844   0.506   6.758
  122    HZ1  LYS  17           HZ1      LYS  17  10.620   1.604   7.958
  123    HZ2  LYS  17           HZ2      LYS  17  11.501   1.815   6.532
  124    HZ3  LYS  17           HZ3      LYS  17  11.217   0.259   7.127
  125    H    VAL  18           H        VAL  18   7.820   0.042   0.009
  126    HA   VAL  18           HA       VAL  18   8.033  -2.641   0.965
  127    HB   VAL  18           HB       VAL  18   6.572  -2.374   2.692
  128   HG11  VAL  18          HG11      VAL  18   4.738  -0.744   2.768
  129   HG12  VAL  18          HG12      VAL  18   5.155  -0.226   1.136
  130   HG13  VAL  18          HG13      VAL  18   6.300   0.016   2.455
  131   HG21  VAL  18          HG21      VAL  18   4.669  -2.648   0.366
  132   HG22  VAL  18          HG22      VAL  18   4.272  -3.000   2.049
  133   HG23  VAL  18          HG23      VAL  18   5.494  -3.954   1.210
  134    HA   PRO  19           HA       PRO  19   7.082  -3.161  -3.359
  135    HB2  PRO  19           HB2      PRO  19   6.727  -5.977  -2.497
  136    HB3  PRO  19           HB3      PRO  19   7.785  -5.310  -3.754
  137    HG2  PRO  19           HG2      PRO  19   8.795  -6.175  -1.442
  138    HG3  PRO  19           HG3      PRO  19   9.443  -4.738  -2.256
  139    HD2  PRO  19           HD2      PRO  19   7.629  -4.900   0.128
  140    HD3  PRO  19           HD3      PRO  19   8.976  -3.786  -0.213
  141    H    PHE  20           H        PHE  20   5.259  -3.718  -4.658
  142    HA   PHE  20           HA       PHE  20   2.785  -3.114  -3.562
  143    HB2  PHE  20           HB2      PHE  20   3.378  -2.970  -5.994
  144    HB3  PHE  20           HB3      PHE  20   3.198  -4.717  -6.091
  145    HD1  PHE  20           HD1      PHE  20   1.011  -5.754  -5.958
  146    HD2  PHE  20           HD2      PHE  20   1.466  -1.532  -5.732
  147    HE1  PHE  20           HE1      PHE  20  -1.399  -5.478  -6.368
  148    HE2  PHE  20           HE2      PHE  20  -0.944  -1.246  -6.141
  149    HZ   PHE  20           HZ       PHE  20  -2.379  -3.223  -6.458
  150    H    ASP  21           H        ASP  21   4.152  -6.315  -4.267
  151    HA   ASP  21           HA       ASP  21   1.830  -7.808  -3.747
  152    HB2  ASP  21           HB2      ASP  21   3.393  -9.731  -3.413
  153    HB3  ASP  21           HB3      ASP  21   3.666  -8.841  -4.909
  154    H    GLN  22           H        GLN  22   4.493  -6.898  -1.579
  155    HA   GLN  22           HA       GLN  22   3.325  -8.165   0.702
  156    HB2  GLN  22           HB2      GLN  22   5.756  -7.719   0.435
  157    HB3  GLN  22           HB3      GLN  22   5.434  -6.000   0.595
  158    HG2  GLN  22           HG2      GLN  22   6.205  -6.815   2.689
  159    HG3  GLN  22           HG3      GLN  22   4.478  -6.456   2.845
  160   HE21  GLN  22          HE21      GLN  22   4.332  -7.838   4.632
  161   HE22  GLN  22          HE22      GLN  22   4.316  -9.561   4.445
  162    H    CYS  23           H        CYS  23   3.090  -5.002  -0.781
  163    HA   CYS  23           HA       CYS  23   1.748  -3.711   1.371
  164    HB2  CYS  23           HB2      CYS  23   2.745  -2.531  -0.644
  165    HB3  CYS  23           HB3      CYS  23   1.363  -3.111  -1.572
  166    H    TYR  24           H        TYR  24   0.656  -5.606  -1.392
  167    HA   TYR  24           HA       TYR  24  -2.095  -5.413  -1.088
  168    HB2  TYR  24           HB2      TYR  24  -0.878  -6.622  -2.952
  169    HB3  TYR  24           HB3      TYR  24  -0.590  -7.949  -1.820
  170    HD1  TYR  24           HD1      TYR  24  -3.066  -6.218  -3.866
  171    HD2  TYR  24           HD2      TYR  24  -2.426  -9.384  -1.106
  172    HE1  TYR  24           HE1      TYR  24  -5.232  -7.193  -4.491
  173    HE2  TYR  24           HE2      TYR  24  -4.588 -10.366  -1.717
  174    HH   TYR  24           HH       TYR  24  -6.703  -9.712  -2.702
  175    H    GLN  25           H        GLN  25   0.258  -7.250   0.744
  176    HA   GLN  25           HA       GLN  25  -1.568  -8.971   2.031
  177    HB2  GLN  25           HB2      GLN  25   0.809  -9.497   1.971
  178    HB3  GLN  25           HB3      GLN  25   1.200  -8.009   2.823
  179    HG2  GLN  25           HG2      GLN  25   0.197  -8.821   4.844
  180    HG3  GLN  25           HG3      GLN  25  -0.433 -10.241   4.014
  181   HE21  GLN  25          HE21      GLN  25   1.933 -10.735   2.467
  182   HE22  GLN  25          HE22      GLN  25   3.129 -11.346   3.561
  183    H    MET  26           H        MET  26  -0.447  -5.717   2.711
  184    HA   MET  26           HA       MET  26  -1.728  -5.706   5.315
  185    HB2  MET  26           HB2      MET  26   0.396  -4.633   5.273
  186    HB3  MET  26           HB3      MET  26  -0.023  -3.719   3.834
  187    HG2  MET  26           HG2      MET  26  -1.708  -2.472   5.162
  188    HG3  MET  26           HG3      MET  26  -1.156  -3.333   6.597
  189    HE1  MET  26           HE1      MET  26   1.317  -2.152   3.716
  190    HE2  MET  26           HE2      MET  26   1.585  -0.481   4.200
  191    HE3  MET  26           HE3      MET  26  -0.010  -0.992   3.652
  192    H    CYS  27           H        CYS  27  -2.085  -4.011   2.193
  193    HA   CYS  27           HA       CYS  27  -4.204  -2.369   3.283
  194    HB2  CYS  27           HB2      CYS  27  -3.185  -2.519   0.428
  195    HB3  CYS  27           HB3      CYS  27  -4.234  -1.263   1.113
  196    H    SER  28           H        SER  28  -4.142  -5.430   1.738
  197    HA   SER  28           HA       SER  28  -6.439  -5.277   0.178
  198    HB2  SER  28           HB2      SER  28  -6.601  -7.780   0.494
  199    HB3  SER  28           HB3      SER  28  -5.061  -7.176  -0.131
  200    HG   SER  28           HG       SER  28  -4.094  -7.831   1.615
  201    HA   PRO  29           HA       PRO  29  -8.927  -6.883   4.210
  202    HB2  PRO  29           HB2      PRO  29  -7.554  -4.882   5.955
  203    HB3  PRO  29           HB3      PRO  29  -8.322  -6.421   6.400
  204    HG2  PRO  29           HG2      PRO  29  -5.688  -6.302   6.209
  205    HG3  PRO  29           HG3      PRO  29  -6.563  -7.700   5.530
  206    HD2  PRO  29           HD2      PRO  29  -5.330  -5.359   4.112
  207    HD3  PRO  29           HD3      PRO  29  -5.435  -7.062   3.609
  208    H    LEU  30           H        LEU  30  -7.800  -3.501   4.064
  209    HA   LEU  30           HA       LEU  30 -10.381  -2.434   4.647
  210    HB2  LEU  30           HB2      LEU  30  -9.431  -0.305   4.476
  211    HB3  LEU  30           HB3      LEU  30  -8.087  -1.312   5.029
  212    HG   LEU  30           HG       LEU  30  -7.667  -1.461   2.376
  213   HD11  LEU  30          HD11      LEU  30  -8.097   0.652   1.289
  214   HD12  LEU  30          HD12      LEU  30  -8.842   1.295   2.750
  215   HD13  LEU  30          HD13      LEU  30  -9.619  -0.027   1.874
  216   HD21  LEU  30          HD21      LEU  30  -6.023   0.341   2.635
  217   HD22  LEU  30          HD22      LEU  30  -6.006  -0.758   4.013
  218   HD23  LEU  30          HD23      LEU  30  -6.788   0.820   4.152
  219    H    GLU  31           H        GLU  31  -8.712  -3.344   1.777
  220    HA   GLU  31           HA       GLU  31 -10.414  -1.873  -0.022
  221    HB2  GLU  31           HB2      GLU  31  -7.939  -2.510  -0.400
  222    HB3  GLU  31           HB3      GLU  31  -8.546  -4.131  -0.758
  223    HG2  GLU  31           HG2      GLU  31  -9.517  -1.705  -2.257
  224    HG3  GLU  31           HG3      GLU  31  -8.061  -2.590  -2.728
  225    H    ARG  32           H        ARG  32  -9.735  -5.350   0.240
  226    HA   ARG  32           HA       ARG  32 -12.542  -6.012   0.403
  227    HB2  ARG  32           HB2      ARG  32 -10.877  -6.819  -2.003
  228    HB3  ARG  32           HB3      ARG  32 -12.351  -7.666  -1.533
  229    HG2  ARG  32           HG2      ARG  32 -12.196  -4.743  -2.323
  230    HG3  ARG  32           HG3      ARG  32 -12.689  -6.053  -3.396
  231    HD2  ARG  32           HD2      ARG  32 -14.133  -4.868  -1.051
  232    HD3  ARG  32           HD3      ARG  32 -14.709  -5.190  -2.679
  233    HE   ARG  32           HE       ARG  32 -14.309  -7.663  -1.859
  234   HH11  ARG  32          HH11      ARG  32 -15.760  -4.984  -0.148
  235   HH12  ARG  32          HH12      ARG  32 -16.815  -5.988   0.787
  236   HH21  ARG  32          HH21      ARG  32 -15.675  -8.994  -0.611
  237   HH22  ARG  32          HH22      ARG  32 -16.765  -8.277   0.531
  238    H    SER  33           H        SER  33 -12.571  -7.455   1.985
  239    HA   SER  33           HA       SER  33 -11.075  -9.887   1.798
  240    HB2  SER  33           HB2      SER  33  -9.371  -8.266   2.779
  241    HB3  SER  33           HB3      SER  33 -10.426  -8.135   4.186
  242    HG   SER  33           HG       SER  33  -8.608  -9.993   3.667
  Start of MODEL   38
    1    HA   ALA   1           HA       ALA   1 -15.781  -0.457  -0.286
    2    HB1  ALA   1           HB1      ALA   1 -15.682   0.910  -2.298
    3    HB2  ALA   1           HB2      ALA   1 -16.892   2.005  -1.634
    4    HB3  ALA   1           HB3      ALA   1 -17.326   0.342  -2.020
    5    H    SER   2           H        SER   2 -13.685   0.587  -0.836
    6    HA   SER   2           HA       SER   2 -13.100   2.956   0.798
    7    HB2  SER   2           HB2      SER   2 -11.657   0.293   1.074
    8    HB3  SER   2           HB3      SER   2 -11.117   1.797   1.810
    9    HG   SER   2           HG       SER   2 -12.539   1.544   3.325
   10    HA   PRO   3           HA       PRO   3 -11.013   2.530  -3.454
   11    HB2  PRO   3           HB2      PRO   3 -12.139   5.226  -3.889
   12    HB3  PRO   3           HB3      PRO   3 -12.178   3.797  -4.944
   13    HG2  PRO   3           HG2      PRO   3 -14.371   4.659  -3.664
   14    HG3  PRO   3           HG3      PRO   3 -14.053   2.933  -3.931
   15    HD2  PRO   3           HD2      PRO   3 -13.709   4.535  -1.400
   16    HD3  PRO   3           HD3      PRO   3 -14.296   2.860  -1.622
   17    H    GLN   4           H        GLN   4 -11.349   5.682  -1.774
   18    HA   GLN   4           HA       GLN   4  -8.885   6.648  -2.735
   19    HB2  GLN   4           HB2      GLN   4 -10.749   8.097  -2.003
   20    HB3  GLN   4           HB3      GLN   4 -10.460   7.598  -0.340
   21    HG2  GLN   4           HG2      GLN   4  -9.452   9.762  -0.723
   22    HG3  GLN   4           HG3      GLN   4  -8.193   8.554  -0.475
   23   HE21  GLN   4          HE21      GLN   4  -9.977   8.816  -3.472
   24   HE22  GLN   4          HE22      GLN   4  -8.654   9.405  -4.426
   25    H    GLN   5           H        GLN   5  -9.803   5.185   0.352
   26    HA   GLN   5           HA       GLN   5  -7.309   5.610   1.603
   27    HB2  GLN   5           HB2      GLN   5  -9.500   3.632   2.172
   28    HB3  GLN   5           HB3      GLN   5  -8.030   3.711   3.129
   29    HG2  GLN   5           HG2      GLN   5 -10.015   5.953   2.761
   30    HG3  GLN   5           HG3      GLN   5  -9.853   4.939   4.192
   31   HE21  GLN   5          HE21      GLN   5  -6.906   4.922   4.001
   32   HE22  GLN   5          HE22      GLN   5  -6.400   6.488   4.537
   33    H    ALA   6           H        ALA   6  -8.568   3.007  -0.382
   34    HA   ALA   6           HA       ALA   6  -6.391   1.237  -0.104
   35    HB1  ALA   6           HB1      ALA   6  -7.162   0.187  -2.144
   36    HB2  ALA   6           HB2      ALA   6  -8.145   1.596  -2.534
   37    HB3  ALA   6           HB3      ALA   6  -8.549   0.604  -1.135
   38    H    LYS   7           H        LYS   7  -7.018   3.915  -2.308
   39    HA   LYS   7           HA       LYS   7  -4.707   3.587  -3.898
   40    HB2  LYS   7           HB2      LYS   7  -6.647   4.956  -4.595
   41    HB3  LYS   7           HB3      LYS   7  -6.277   6.115  -3.330
   42    HG2  LYS   7           HG2      LYS   7  -5.521   6.899  -5.504
   43    HG3  LYS   7           HG3      LYS   7  -4.156   6.651  -4.385
   44    HD2  LYS   7           HD2      LYS   7  -3.602   5.782  -6.618
   45    HD3  LYS   7           HD3      LYS   7  -3.698   4.467  -5.444
   46    HE2  LYS   7           HE2      LYS   7  -6.013   3.990  -6.233
   47    HE3  LYS   7           HE3      LYS   7  -5.810   5.245  -7.457
   48    HZ1  LYS   7           HZ1      LYS   7  -4.145   2.804  -7.209
   49    HZ2  LYS   7           HZ2      LYS   7  -3.990   3.991  -8.402
   50    HZ3  LYS   7           HZ3      LYS   7  -5.380   3.034  -8.340
   51    H    TYR   8           H        TYR   8  -5.368   5.519  -1.009
   52    HA   TYR   8           HA       TYR   8  -2.859   6.763  -0.798
   53    HB2  TYR   8           HB2      TYR   8  -4.875   7.422   0.509
   54    HB3  TYR   8           HB3      TYR   8  -4.712   5.937   1.447
   55    HD1  TYR   8           HD1      TYR   8  -3.068   9.153   0.664
   56    HD2  TYR   8           HD2      TYR   8  -3.231   5.804   3.282
   57    HE1  TYR   8           HE1      TYR   8  -1.582  10.317   2.239
   58    HE2  TYR   8           HE2      TYR   8  -1.742   6.956   4.860
   59    HH   TYR   8           HH       TYR   8  -1.027  10.275   4.609
   60    H    CYS   9           H        CYS   9  -4.056   3.667   0.375
   61    HA   CYS   9           HA       CYS   9  -1.824   2.973   1.950
   62    HB2  CYS   9           HB2      CYS   9  -4.062   1.849   2.042
   63    HB3  CYS   9           HB3      CYS   9  -3.697   1.074   0.495
   64    H    TYR  10           H        TYR  10  -2.652   2.117  -1.413
   65    HA   TYR  10           HA       TYR  10  -0.221   0.701  -1.851
   66    HB2  TYR  10           HB2      TYR  10  -2.364   1.749  -3.706
   67    HB3  TYR  10           HB3      TYR  10  -0.894   0.986  -4.319
   68    HD1  TYR  10           HD1      TYR  10  -0.367  -1.365  -3.572
   69    HD2  TYR  10           HD2      TYR  10  -4.181   0.424  -2.975
   70    HE1  TYR  10           HE1      TYR  10  -1.359  -3.584  -3.293
   71    HE2  TYR  10           HE2      TYR  10  -5.182  -1.797  -2.696
   72    HH   TYR  10           HH       TYR  10  -4.709  -4.134  -3.325
   73    H    GLU  11           H        GLU  11  -1.172   4.056  -2.257
   74    HA   GLU  11           HA       GLU  11   1.044   4.808  -3.832
   75    HB2  GLU  11           HB2      GLU  11  -0.980   6.220  -3.610
   76    HB3  GLU  11           HB3      GLU  11  -0.568   6.525  -1.909
   77    HG2  GLU  11           HG2      GLU  11   1.506   7.625  -2.627
   78    HG3  GLU  11           HG3      GLU  11   1.049   7.346  -4.323
   79    H    GLN  12           H        GLN  12   0.508   4.930  -0.287
   80    HA   GLN  12           HA       GLN  12   3.105   6.101   0.079
   81    HB2  GLN  12           HB2      GLN  12   1.062   5.167   2.102
   82    HB3  GLN  12           HB3      GLN  12   2.527   6.051   2.490
   83    HG2  GLN  12           HG2      GLN  12   0.606   7.180   0.522
   84    HG3  GLN  12           HG3      GLN  12   0.262   7.288   2.242
   85   HE21  GLN  12          HE21      GLN  12   3.523   7.366   1.030
   86   HE22  GLN  12          HE22      GLN  12   3.812   9.036   1.371
   87    H    CYS  13           H        CYS  13   1.780   2.879   0.209
   88    HA   CYS  13           HA       CYS  13   3.573   1.670   1.979
   89    HB2  CYS  13           HB2      CYS  13   2.973  -0.450   0.929
   90    HB3  CYS  13           HB3      CYS  13   1.526   0.562   1.013
   91    H    ASN  14           H        ASN  14   3.822   2.026  -1.543
   92    HA   ASN  14           HA       ASN  14   6.463   0.903  -1.615
   93    HB2  ASN  14           HB2      ASN  14   4.743   0.873  -3.524
   94    HB3  ASN  14           HB3      ASN  14   5.210   2.545  -3.826
   95   HD21  ASN  14          HD21      ASN  14   7.384  -0.038  -2.785
   96   HD22  ASN  14          HD22      ASN  14   8.318  -0.053  -4.245
   97    H    VAL  15           H        VAL  15   5.167   4.118  -1.254
   98    HA   VAL  15           HA       VAL  15   7.529   5.530  -1.952
   99    HB   VAL  15           HB       VAL  15   5.146   6.353  -0.286
  100   HG11  VAL  15          HG11      VAL  15   7.467   8.066  -1.183
  101   HG12  VAL  15          HG12      VAL  15   7.103   7.602   0.479
  102   HG13  VAL  15          HG13      VAL  15   5.996   8.652  -0.407
  103   HG21  VAL  15          HG21      VAL  15   4.610   7.745  -2.233
  104   HG22  VAL  15          HG22      VAL  15   4.708   6.041  -2.674
  105   HG23  VAL  15          HG23      VAL  15   6.038   7.132  -3.066
  106    H    ASN  16           H        ASN  16   6.243   4.267   1.105
  107    HA   ASN  16           HA       ASN  16   8.316   5.414   2.709
  108    HB2  ASN  16           HB2      ASN  16   6.569   2.993   3.292
  109    HB3  ASN  16           HB3      ASN  16   7.548   3.874   4.469
  110   HD21  ASN  16          HD21      ASN  16   6.879   6.479   3.325
  111   HD22  ASN  16          HD22      ASN  16   5.245   6.793   3.811
  112    H    LYS  17           H        LYS  17   7.732   1.933   2.365
  113    HA   LYS  17           HA       LYS  17   9.868   1.272   0.759
  114    HB2  LYS  17           HB2      LYS  17  11.222   2.150   2.695
  115    HB3  LYS  17           HB3      LYS  17  10.569   0.822   3.663
  116    HG2  LYS  17           HG2      LYS  17  11.579  -0.795   2.106
  117    HG3  LYS  17           HG3      LYS  17  12.260   0.546   1.175
  118    HD2  LYS  17           HD2      LYS  17  13.561   1.284   3.073
  119    HD3  LYS  17           HD3      LYS  17  12.833   0.043   4.115
  120    HE2  LYS  17           HE2      LYS  17  13.811  -1.682   2.591
  121    HE3  LYS  17           HE3      LYS  17  14.632  -0.389   1.719
  122    HZ1  LYS  17           HZ1      LYS  17  15.760   0.207   3.792
  123    HZ2  LYS  17           HZ2      LYS  17  16.105  -1.381   3.327
  124    HZ3  LYS  17           HZ3      LYS  17  15.010  -1.088   4.582
  125    H    VAL  18           H        VAL  18   7.954  -0.070   0.154
  126    HA   VAL  18           HA       VAL  18   8.279  -2.669   1.386
  127    HB   VAL  18           HB       VAL  18   6.203  -3.083   2.222
  128   HG11  VAL  18          HG11      VAL  18   6.884  -1.084   3.444
  129   HG12  VAL  18          HG12      VAL  18   5.129  -1.221   3.333
  130   HG13  VAL  18          HG13      VAL  18   5.992  -0.076   2.305
  131   HG21  VAL  18          HG21      VAL  18   4.973  -1.200   0.222
  132   HG22  VAL  18          HG22      VAL  18   4.094  -2.265   1.323
  133   HG23  VAL  18          HG23      VAL  18   5.121  -2.950   0.061
  134    HA   PRO  19           HA       PRO  19   7.763  -3.834  -2.913
  135    HB2  PRO  19           HB2      PRO  19   6.964  -6.471  -1.879
  136    HB3  PRO  19           HB3      PRO  19   8.345  -6.043  -2.903
  137    HG2  PRO  19           HG2      PRO  19   8.659  -6.771  -0.331
  138    HG3  PRO  19           HG3      PRO  19   9.707  -5.573  -1.115
  139    HD2  PRO  19           HD2      PRO  19   7.431  -5.129   0.788
  140    HD3  PRO  19           HD3      PRO  19   8.994  -4.288   0.655
  141    H    PHE  20           H        PHE  20   6.036  -4.358  -4.375
  142    HA   PHE  20           HA       PHE  20   3.523  -3.400  -3.657
  143    HB2  PHE  20           HB2      PHE  20   4.290  -3.538  -5.997
  144    HB3  PHE  20           HB3      PHE  20   4.163  -5.292  -5.936
  145    HD1  PHE  20           HD1      PHE  20   2.022  -6.394  -6.036
  146    HD2  PHE  20           HD2      PHE  20   2.294  -2.146  -6.020
  147    HE1  PHE  20           HE1      PHE  20  -0.332  -6.245  -6.730
  148    HE2  PHE  20           HE2      PHE  20  -0.062  -1.994  -6.711
  149    HZ   PHE  20           HZ       PHE  20  -1.377  -4.042  -7.064
  150    H    ASP  21           H        ASP  21   4.660  -6.760  -3.769
  151    HA   ASP  21           HA       ASP  21   2.179  -7.987  -3.295
  152    HB2  ASP  21           HB2      ASP  21   3.511  -9.916  -2.464
  153    HB3  ASP  21           HB3      ASP  21   4.064  -9.315  -4.026
  154    H    GLN  22           H        GLN  22   4.600  -6.690  -1.064
  155    HA   GLN  22           HA       GLN  22   3.151  -7.448   1.271
  156    HB2  GLN  22           HB2      GLN  22   5.595  -7.019   1.290
  157    HB3  GLN  22           HB3      GLN  22   5.280  -5.317   0.971
  158    HG2  GLN  22           HG2      GLN  22   4.117  -5.104   3.083
  159    HG3  GLN  22           HG3      GLN  22   4.331  -6.829   3.393
  160   HE21  GLN  22          HE21      GLN  22   6.338  -7.618   3.947
  161   HE22  GLN  22          HE22      GLN  22   7.615  -6.586   4.495
  162    H    CYS  23           H        CYS  23   3.163  -4.606  -0.840
  163    HA   CYS  23           HA       CYS  23   1.465  -2.984   0.693
  164    HB2  CYS  23           HB2      CYS  23   1.462  -3.326  -2.326
  165    HB3  CYS  23           HB3      CYS  23   0.630  -2.048  -1.456
  166    H    TYR  24           H        TYR  24   0.715  -5.548  -1.629
  167    HA   TYR  24           HA       TYR  24  -2.060  -5.423  -1.481
  168    HB2  TYR  24           HB2      TYR  24  -0.688  -6.764  -3.145
  169    HB3  TYR  24           HB3      TYR  24  -0.461  -7.969  -1.868
  170    HD1  TYR  24           HD1      TYR  24  -2.284  -9.395  -1.174
  171    HD2  TYR  24           HD2      TYR  24  -2.860  -6.432  -4.162
  172    HE1  TYR  24           HE1      TYR  24  -4.411 -10.447  -1.792
  173    HE2  TYR  24           HE2      TYR  24  -4.991  -7.473  -4.794
  174    HH   TYR  24           HH       TYR  24  -6.067  -9.696  -4.642
  175    H    GLN  25           H        GLN  25   0.246  -7.180   0.567
  176    HA   GLN  25           HA       GLN  25  -1.708  -8.753   1.873
  177    HB2  GLN  25           HB2      GLN  25  -0.014  -9.484   3.355
  178    HB3  GLN  25           HB3      GLN  25   0.839  -9.142   1.856
  179    HG2  GLN  25           HG2      GLN  25   1.654  -7.045   2.746
  180    HG3  GLN  25           HG3      GLN  25   0.681  -7.252   4.198
  181   HE21  GLN  25          HE21      GLN  25   2.341  -9.921   2.693
  182   HE22  GLN  25          HE22      GLN  25   3.529 -10.127   3.939
  183    H    MET  26           H        MET  26  -0.556  -5.512   2.440
  184    HA   MET  26           HA       MET  26  -1.926  -5.350   4.996
  185    HB2  MET  26           HB2      MET  26   0.172  -4.227   4.944
  186    HB3  MET  26           HB3      MET  26  -0.211  -3.443   3.421
  187    HG2  MET  26           HG2      MET  26  -1.901  -2.069   4.546
  188    HG3  MET  26           HG3      MET  26  -1.514  -2.854   6.076
  189    HE1  MET  26           HE1      MET  26   1.524  -0.218   3.785
  190    HE2  MET  26           HE2      MET  26  -0.058  -0.665   3.143
  191    HE3  MET  26           HE3      MET  26   1.197  -1.890   3.337
  192    H    CYS  27           H        CYS  27  -2.192  -3.944   1.744
  193    HA   CYS  27           HA       CYS  27  -4.378  -2.250   2.538
  194    HB2  CYS  27           HB2      CYS  27  -3.429  -2.817  -0.286
  195    HB3  CYS  27           HB3      CYS  27  -4.348  -1.414   0.292
  196    H    SER  28           H        SER  28  -4.195  -5.502   1.345
  197    HA   SER  28           HA       SER  28  -6.610  -5.496  -0.089
  198    HB2  SER  28           HB2      SER  28  -6.575  -8.006   0.202
  199    HB3  SER  28           HB3      SER  28  -5.155  -7.290  -0.567
  200    HG   SER  28           HG       SER  28  -3.968  -7.715   1.178
  201    HA   PRO  29           HA       PRO  29  -8.859  -7.049   3.970
  202    HB2  PRO  29           HB2      PRO  29  -7.120  -5.769   6.011
  203    HB3  PRO  29           HB3      PRO  29  -7.970  -7.325   6.073
  204    HG2  PRO  29           HG2      PRO  29  -5.339  -7.279   5.730
  205    HG3  PRO  29           HG3      PRO  29  -6.348  -8.417   4.798
  206    HD2  PRO  29           HD2      PRO  29  -5.144  -5.798   3.916
  207    HD3  PRO  29           HD3      PRO  29  -5.224  -7.354   3.050
  208    H    LEU  30           H        LEU  30  -7.298  -4.099   3.322
  209    HA   LEU  30           HA       LEU  30  -9.119  -2.392   4.773
  210    HB2  LEU  30           HB2      LEU  30  -6.648  -1.920   4.197
  211    HB3  LEU  30           HB3      LEU  30  -7.218  -1.613   2.549
  212    HG   LEU  30           HG       LEU  30  -7.900  -0.019   5.043
  213   HD11  LEU  30          HD11      LEU  30  -6.328   0.637   2.552
  214   HD12  LEU  30          HD12      LEU  30  -5.664   0.376   4.168
  215   HD13  LEU  30          HD13      LEU  30  -6.703   1.768   3.853
  216   HD21  LEU  30          HD21      LEU  30  -8.822   0.426   2.196
  217   HD22  LEU  30          HD22      LEU  30  -9.113   1.500   3.565
  218   HD23  LEU  30          HD23      LEU  30  -9.839  -0.108   3.534
  219    H    GLU  31           H        GLU  31  -8.320  -2.939   1.377
  220    HA   GLU  31           HA       GLU  31 -10.465  -1.438   0.338
  221    HB2  GLU  31           HB2      GLU  31  -8.369  -1.990  -0.903
  222    HB3  GLU  31           HB3      GLU  31  -8.921  -3.665  -1.019
  223    HG2  GLU  31           HG2      GLU  31 -10.906  -2.867  -2.279
  224    HG3  GLU  31           HG3      GLU  31 -10.216  -1.238  -2.270
  225    H    ARG  32           H        ARG  32 -10.042  -4.962   0.663
  226    HA   ARG  32           HA       ARG  32 -12.971  -5.230   0.621
  227    HB2  ARG  32           HB2      ARG  32 -11.087  -7.080  -0.884
  228    HB3  ARG  32           HB3      ARG  32 -12.842  -7.239  -0.789
  229    HG2  ARG  32           HG2      ARG  32 -11.286  -5.056  -2.210
  230    HG3  ARG  32           HG3      ARG  32 -12.208  -6.353  -2.965
  231    HD2  ARG  32           HD2      ARG  32 -13.185  -3.897  -1.550
  232    HD3  ARG  32           HD3      ARG  32 -13.611  -4.520  -3.137
  233    HE   ARG  32           HE       ARG  32 -14.751  -6.381  -1.851
  234   HH11  ARG  32          HH11      ARG  32 -14.359  -3.163  -0.530
  235   HH12  ARG  32          HH12      ARG  32 -15.807  -3.238   0.426
  236   HH21  ARG  32          HH21      ARG  32 -16.656  -6.486  -0.592
  237   HH22  ARG  32          HH22      ARG  32 -17.115  -5.129   0.389
  238    H    SER  33           H        SER  33 -13.365  -7.782   1.079
  239    HA   SER  33           HA       SER  33 -11.482  -8.870   2.979
  240    HB2  SER  33           HB2      SER  33 -14.229  -7.971   3.908
  241    HB3  SER  33           HB3      SER  33 -13.139  -8.995   4.843
  242    HG   SER  33           HG       SER  33 -11.783  -6.856   4.017
  Start of MODEL   39
    1    HA   ALA   1           HA       ALA   1 -14.835  -1.299   0.977
    2    HB1  ALA   1           HB1      ALA   1 -16.723  -0.976  -0.541
    3    HB2  ALA   1           HB2      ALA   1 -15.351   0.028  -1.008
    4    HB3  ALA   1           HB3      ALA   1 -16.729   0.748  -0.175
    5    H    SER   2           H        SER   2 -13.169   0.211   0.145
    6    HA   SER   2           HA       SER   2 -13.105   2.891   1.254
    7    HB2  SER   2           HB2      SER   2 -12.342   1.210   3.116
    8    HB3  SER   2           HB3      SER   2 -10.863   1.083   2.162
    9    HG   SER   2           HG       SER   2 -11.530   3.670   2.470
   10    HA   PRO   3           HA       PRO   3 -10.736   1.778  -2.734
   11    HB2  PRO   3           HB2      PRO   3 -12.333   4.054  -3.766
   12    HB3  PRO   3           HB3      PRO   3 -11.989   2.478  -4.510
   13    HG2  PRO   3           HG2      PRO   3 -14.399   3.021  -3.517
   14    HG3  PRO   3           HG3      PRO   3 -13.671   1.411  -3.346
   15    HD2  PRO   3           HD2      PRO   3 -13.912   3.592  -1.275
   16    HD3  PRO   3           HD3      PRO   3 -14.084   1.820  -1.092
   17    H    GLN   4           H        GLN   4 -11.556   4.937  -1.336
   18    HA   GLN   4           HA       GLN   4  -9.440   6.314  -2.660
   19    HB2  GLN   4           HB2      GLN   4 -11.125   7.089  -0.275
   20    HB3  GLN   4           HB3      GLN   4  -9.930   8.150  -1.003
   21    HG2  GLN   4           HG2      GLN   4 -11.173   8.128  -3.110
   22    HG3  GLN   4           HG3      GLN   4 -12.365   7.038  -2.404
   23   HE21  GLN   4          HE21      GLN   4 -12.267   8.400   0.199
   24   HE22  GLN   4          HE22      GLN   4 -13.142   9.879  -0.018
   25    H    GLN   5           H        GLN   5  -9.864   5.101   0.635
   26    HA   GLN   5           HA       GLN   5  -7.304   5.913   1.525
   27    HB2  GLN   5           HB2      GLN   5  -9.243   3.864   2.573
   28    HB3  GLN   5           HB3      GLN   5  -7.686   4.154   3.335
   29    HG2  GLN   5           HG2      GLN   5  -9.816   6.250   2.928
   30    HG3  GLN   5           HG3      GLN   5  -9.541   5.367   4.427
   31   HE21  GLN   5          HE21      GLN   5  -6.614   5.410   4.098
   32   HE22  GLN   5          HE22      GLN   5  -6.131   7.029   4.472
   33    H    ALA   6           H        ALA   6  -8.493   3.069  -0.089
   34    HA   ALA   6           HA       ALA   6  -6.221   1.441   0.252
   35    HB1  ALA   6           HB1      ALA   6  -7.086   0.066  -1.482
   36    HB2  ALA   6           HB2      ALA   6  -8.064   1.384  -2.120
   37    HB3  ALA   6           HB3      ALA   6  -8.460   0.673  -0.555
   38    H    LYS   7           H        LYS   7  -7.084   3.817  -2.218
   39    HA   LYS   7           HA       LYS   7  -4.874   3.337  -3.917
   40    HB2  LYS   7           HB2      LYS   7  -6.988   4.629  -4.481
   41    HB3  LYS   7           HB3      LYS   7  -6.321   5.972  -3.568
   42    HG2  LYS   7           HG2      LYS   7  -5.955   6.291  -5.935
   43    HG3  LYS   7           HG3      LYS   7  -4.400   6.064  -5.093
   44    HD2  LYS   7           HD2      LYS   7  -4.324   3.732  -5.817
   45    HD3  LYS   7           HD3      LYS   7  -5.912   3.882  -6.575
   46    HE2  LYS   7           HE2      LYS   7  -4.065   4.004  -8.224
   47    HE3  LYS   7           HE3      LYS   7  -5.022   5.483  -8.178
   48    HZ1  LYS   7           HZ1      LYS   7  -2.633   5.912  -8.265
   49    HZ2  LYS   7           HZ2      LYS   7  -2.421   5.094  -6.803
   50    HZ3  LYS   7           HZ3      LYS   7  -3.321   6.525  -6.848
   51    H    TYR   8           H        TYR   8  -5.380   5.409  -1.141
   52    HA   TYR   8           HA       TYR   8  -2.894   6.758  -1.198
   53    HB2  TYR   8           HB2      TYR   8  -4.835   7.548   0.106
   54    HB3  TYR   8           HB3      TYR   8  -4.715   6.123   1.137
   55    HD1  TYR   8           HD1      TYR   8  -2.987   9.244   0.165
   56    HD2  TYR   8           HD2      TYR   8  -3.254   6.068   2.979
   57    HE1  TYR   8           HE1      TYR   8  -1.498  10.472   1.689
   58    HE2  TYR   8           HE2      TYR   8  -1.765   7.282   4.505
   59    HH   TYR   8           HH       TYR   8  -0.045   9.027   4.391
   60    H    CYS   9           H        CYS   9  -4.001   3.778   0.328
   61    HA   CYS   9           HA       CYS   9  -1.673   3.228   1.817
   62    HB2  CYS   9           HB2      CYS   9  -3.856   2.094   2.195
   63    HB3  CYS   9           HB3      CYS   9  -3.655   1.243   0.657
   64    H    TYR  10           H        TYR  10  -2.697   2.080  -1.401
   65    HA   TYR  10           HA       TYR  10  -0.364   0.556  -1.895
   66    HB2  TYR  10           HB2      TYR  10  -2.501   1.702  -3.688
   67    HB3  TYR  10           HB3      TYR  10  -1.086   0.888  -4.362
   68    HD1  TYR  10           HD1      TYR  10  -4.342   0.456  -2.908
   69    HD2  TYR  10           HD2      TYR  10  -0.642  -1.495  -3.671
   70    HE1  TYR  10           HE1      TYR  10  -5.442  -1.721  -2.661
   71    HE2  TYR  10           HE2      TYR  10  -1.730  -3.673  -3.419
   72    HH   TYR  10           HH       TYR  10  -3.771  -4.616  -2.291
   73    H    GLU  11           H        GLU  11  -0.986   3.942  -2.095
   74    HA   GLU  11           HA       GLU  11   1.219   4.497  -3.836
   75    HB2  GLU  11           HB2      GLU  11  -0.879   5.970  -3.405
   76    HB3  GLU  11           HB3      GLU  11   0.008   6.504  -1.958
   77    HG2  GLU  11           HG2      GLU  11   0.367   8.060  -3.762
   78    HG3  GLU  11           HG3      GLU  11   1.880   7.201  -3.390
   79    H    GLN  12           H        GLN  12   0.611   5.138  -0.382
   80    HA   GLN  12           HA       GLN  12   3.254   6.047   0.057
   81    HB2  GLN  12           HB2      GLN  12   1.053   5.303   1.985
   82    HB3  GLN  12           HB3      GLN  12   2.582   6.009   2.478
   83    HG2  GLN  12           HG2      GLN  12   0.930   7.364   0.409
   84    HG3  GLN  12           HG3      GLN  12   0.499   7.504   2.107
   85   HE21  GLN  12          HE21      GLN  12   3.818   7.190   1.126
   86   HE22  GLN  12          HE22      GLN  12   4.283   8.814   1.502
   87    H    CYS  13           H        CYS  13   1.840   2.888   0.138
   88    HA   CYS  13           HA       CYS  13   3.445   1.633   2.044
   89    HB2  CYS  13           HB2      CYS  13   2.891  -0.473   0.922
   90    HB3  CYS  13           HB3      CYS  13   1.464   0.573   0.936
   91    H    ASN  14           H        ASN  14   4.005   1.833  -1.475
   92    HA   ASN  14           HA       ASN  14   6.662   0.776  -1.239
   93    HB2  ASN  14           HB2      ASN  14   5.290   0.541  -3.316
   94    HB3  ASN  14           HB3      ASN  14   5.461   2.273  -3.593
   95   HD21  ASN  14          HD21      ASN  14   8.004   0.188  -2.325
   96   HD22  ASN  14          HD22      ASN  14   9.046   0.347  -3.700
   97    H    VAL  15           H        VAL  15   5.294   3.985  -1.145
   98    HA   VAL  15           HA       VAL  15   7.671   5.410  -1.713
   99    HB   VAL  15           HB       VAL  15   5.212   6.275  -0.180
  100   HG11  VAL  15          HG11      VAL  15   6.014   8.574  -0.489
  101   HG12  VAL  15          HG12      VAL  15   7.500   7.956  -1.211
  102   HG13  VAL  15          HG13      VAL  15   7.141   7.625   0.484
  103   HG21  VAL  15          HG21      VAL  15   4.778   5.764  -2.530
  104   HG22  VAL  15          HG22      VAL  15   6.101   6.821  -3.019
  105   HG23  VAL  15          HG23      VAL  15   4.668   7.499  -2.245
  106    H    ASN  16           H        ASN  16   6.212   4.207   1.290
  107    HA   ASN  16           HA       ASN  16   8.194   5.356   2.998
  108    HB2  ASN  16           HB2      ASN  16   6.458   2.899   3.458
  109    HB3  ASN  16           HB3      ASN  16   7.385   3.756   4.694
  110   HD21  ASN  16          HD21      ASN  16   6.725   6.376   3.531
  111   HD22  ASN  16          HD22      ASN  16   5.081   6.672   3.981
  112    H    LYS  17           H        LYS  17   7.710   1.863   2.630
  113    HA   LYS  17           HA       LYS  17   9.763   1.321   0.889
  114    HB2  LYS  17           HB2      LYS  17  11.458   0.266   2.407
  115    HB3  LYS  17           HB3      LYS  17  11.412   2.033   2.453
  116    HG2  LYS  17           HG2      LYS  17  10.116   1.942   4.531
  117    HG3  LYS  17           HG3      LYS  17  10.187   0.175   4.490
  118    HD2  LYS  17           HD2      LYS  17  12.591   0.201   4.651
  119    HD3  LYS  17           HD3      LYS  17  12.632   1.975   4.546
  120    HE2  LYS  17           HE2      LYS  17  11.390   2.104   6.665
  121    HE3  LYS  17           HE3      LYS  17  11.352   0.344   6.751
  122    HZ1  LYS  17           HZ1      LYS  17  13.775   2.055   6.833
  123    HZ2  LYS  17           HZ2      LYS  17  13.789   0.366   6.812
  124    HZ3  LYS  17           HZ3      LYS  17  13.113   1.184   8.126
  125    H    VAL  18           H        VAL  18   7.879  -0.022   0.297
  126    HA   VAL  18           HA       VAL  18   8.325  -2.683   1.392
  127    HB   VAL  18           HB       VAL  18   6.139  -3.265   1.924
  128   HG11  VAL  18          HG11      VAL  18   5.162  -1.620   3.402
  129   HG12  VAL  18          HG12      VAL  18   6.128  -0.342   2.662
  130   HG13  VAL  18          HG13      VAL  18   6.920  -1.632   3.569
  131   HG21  VAL  18          HG21      VAL  18   5.149  -2.581  -0.172
  132   HG22  VAL  18          HG22      VAL  18   5.124  -0.899   0.366
  133   HG23  VAL  18          HG23      VAL  18   4.128  -2.105   1.187
  134    HA   PRO  19           HA       PRO  19   7.759  -3.725  -2.970
  135    HB2  PRO  19           HB2      PRO  19   6.941  -6.384  -2.024
  136    HB3  PRO  19           HB3      PRO  19   8.332  -5.935  -3.025
  137    HG2  PRO  19           HG2      PRO  19   8.634  -6.764  -0.484
  138    HG3  PRO  19           HG3      PRO  19   9.689  -5.540  -1.218
  139    HD2  PRO  19           HD2      PRO  19   7.386  -5.151   0.670
  140    HD3  PRO  19           HD3      PRO  19   8.972  -4.343   0.620
  141    H    PHE  20           H        PHE  20   5.985  -4.212  -4.400
  142    HA   PHE  20           HA       PHE  20   3.486  -3.281  -3.516
  143    HB2  PHE  20           HB2      PHE  20   4.288  -3.245  -5.894
  144    HB3  PHE  20           HB3      PHE  20   3.966  -4.974  -5.977
  145    HD1  PHE  20           HD1      PHE  20   1.695  -5.821  -6.009
  146    HD2  PHE  20           HD2      PHE  20   2.483  -1.645  -5.804
  147    HE1  PHE  20           HE1      PHE  20  -0.648  -5.354  -6.602
  148    HE2  PHE  20           HE2      PHE  20   0.144  -1.172  -6.394
  149    HZ   PHE  20           HZ       PHE  20  -1.426  -3.027  -6.791
  150    H    ASP  21           H        ASP  21   4.696  -6.588  -3.917
  151    HA   ASP  21           HA       ASP  21   2.277  -7.927  -3.471
  152    HB2  ASP  21           HB2      ASP  21   3.639  -9.854  -2.751
  153    HB3  ASP  21           HB3      ASP  21   4.248  -9.139  -4.239
  154    H    GLN  22           H        GLN  22   4.556  -6.475  -1.238
  155    HA   GLN  22           HA       GLN  22   3.247  -7.376   1.131
  156    HB2  GLN  22           HB2      GLN  22   5.583  -6.689   1.181
  157    HB3  GLN  22           HB3      GLN  22   5.135  -5.058   0.690
  158    HG2  GLN  22           HG2      GLN  22   5.568  -5.104   3.048
  159    HG3  GLN  22           HG3      GLN  22   3.846  -4.812   2.768
  160   HE21  GLN  22          HE21      GLN  22   2.361  -6.357   3.341
  161   HE22  GLN  22          HE22      GLN  22   2.755  -7.701   4.361
  162    H    CYS  23           H        CYS  23   3.076  -4.431  -0.866
  163    HA   CYS  23           HA       CYS  23   1.229  -2.992   0.645
  164    HB2  CYS  23           HB2      CYS  23   1.241  -3.197  -2.385
  165    HB3  CYS  23           HB3      CYS  23   0.529  -1.907  -1.426
  166    H    TYR  24           H        TYR  24   0.734  -5.601  -1.667
  167    HA   TYR  24           HA       TYR  24  -2.084  -5.559  -1.652
  168    HB2  TYR  24           HB2      TYR  24  -0.368  -6.784  -3.236
  169    HB3  TYR  24           HB3      TYR  24  -0.563  -8.109  -2.078
  170    HD1  TYR  24           HD1      TYR  24  -2.903  -8.995  -1.667
  171    HD2  TYR  24           HD2      TYR  24  -1.962  -6.395  -4.892
  172    HE1  TYR  24           HE1      TYR  24  -4.964  -9.677  -2.807
  173    HE2  TYR  24           HE2      TYR  24  -4.021  -7.066  -6.046
  174    HH   TYR  24           HH       TYR  24  -6.492  -8.867  -4.495
  175    H    GLN  25           H        GLN  25   0.205  -6.782   0.641
  176    HA   GLN  25           HA       GLN  25  -1.721  -8.605   1.820
  177    HB2  GLN  25           HB2      GLN  25   1.107  -7.859   2.587
  178    HB3  GLN  25           HB3      GLN  25   0.097  -8.902   3.583
  179    HG2  GLN  25           HG2      GLN  25   1.067  -9.446   0.769
  180    HG3  GLN  25           HG3      GLN  25   1.492 -10.311   2.244
  181   HE21  GLN  25          HE21      GLN  25  -0.021 -11.704   3.187
  182   HE22  GLN  25          HE22      GLN  25  -1.381 -12.303   2.295
  183    H    MET  26           H        MET  26  -0.493  -5.385   2.373
  184    HA   MET  26           HA       MET  26  -1.862  -5.214   4.930
  185    HB2  MET  26           HB2      MET  26   0.249  -4.138   4.930
  186    HB3  MET  26           HB3      MET  26  -0.073  -3.350   3.395
  187    HG2  MET  26           HG2      MET  26  -1.776  -1.943   4.486
  188    HG3  MET  26           HG3      MET  26  -1.401  -2.713   6.028
  189    HE1  MET  26           HE1      MET  26   1.470  -1.930   3.396
  190    HE2  MET  26           HE2      MET  26   1.744  -0.220   3.724
  191    HE3  MET  26           HE3      MET  26   0.216  -0.747   3.020
  192    H    CYS  27           H        CYS  27  -2.081  -3.712   1.707
  193    HA   CYS  27           HA       CYS  27  -4.163  -1.930   2.561
  194    HB2  CYS  27           HB2      CYS  27  -3.257  -2.504  -0.277
  195    HB3  CYS  27           HB3      CYS  27  -4.139  -1.080   0.307
  196    H    SER  28           H        SER  28  -4.104  -4.980   0.749
  197    HA   SER  28           HA       SER  28  -6.690  -4.784  -0.278
  198    HB2  SER  28           HB2      SER  28  -5.124  -7.282   0.351
  199    HB3  SER  28           HB3      SER  28  -6.592  -7.213  -0.633
  200    HG   SER  28           HG       SER  28  -5.532  -6.179  -2.194
  201    HA   PRO  29           HA       PRO  29  -8.220  -7.289   3.714
  202    HB2  PRO  29           HB2      PRO  29  -6.239  -6.039   5.565
  203    HB3  PRO  29           HB3      PRO  29  -7.021  -7.632   5.658
  204    HG2  PRO  29           HG2      PRO  29  -4.507  -7.470   4.847
  205    HG3  PRO  29           HG3      PRO  29  -5.647  -8.550   4.004
  206    HD2  PRO  29           HD2      PRO  29  -4.614  -5.851   3.166
  207    HD3  PRO  29           HD3      PRO  29  -4.916  -7.304   2.184
  208    H    LEU  30           H        LEU  30  -6.938  -4.061   3.544
  209    HA   LEU  30           HA       LEU  30  -8.749  -2.818   5.354
  210    HB2  LEU  30           HB2      LEU  30  -6.837  -1.537   4.939
  211    HB3  LEU  30           HB3      LEU  30  -6.888  -1.870   3.199
  212    HG   LEU  30           HG       LEU  30  -8.871  -0.393   3.003
  213   HD11  LEU  30          HD11      LEU  30  -9.674  -0.574   5.307
  214   HD12  LEU  30          HD12      LEU  30  -9.456   1.104   4.813
  215   HD13  LEU  30          HD13      LEU  30  -8.270   0.336   5.868
  216   HD21  LEU  30          HD21      LEU  30  -7.630   1.703   3.220
  217   HD22  LEU  30          HD22      LEU  30  -6.622   0.436   2.519
  218   HD23  LEU  30          HD23      LEU  30  -6.419   0.890   4.210
  219    H    GLU  31           H        GLU  31  -8.633  -3.031   1.829
  220    HA   GLU  31           HA       GLU  31 -11.168  -1.683   1.556
  221    HB2  GLU  31           HB2      GLU  31  -9.085  -1.660  -0.035
  222    HB3  GLU  31           HB3      GLU  31  -9.817  -3.128  -0.696
  223    HG2  GLU  31           HG2      GLU  31 -11.069  -0.371  -0.599
  224    HG3  GLU  31           HG3      GLU  31 -10.436  -1.197  -2.030
  225    H    ARG  32           H        ARG  32  -9.956  -4.974   0.968
  226    HA   ARG  32           HA       ARG  32 -12.745  -5.880   0.834
  227    HB2  ARG  32           HB2      ARG  32 -11.645  -5.580  -1.462
  228    HB3  ARG  32           HB3      ARG  32 -10.554  -6.890  -1.000
  229    HG2  ARG  32           HG2      ARG  32 -12.314  -7.786  -2.388
  230    HG3  ARG  32           HG3      ARG  32 -12.503  -8.395  -0.742
  231    HD2  ARG  32           HD2      ARG  32 -14.538  -7.432  -2.166
  232    HD3  ARG  32           HD3      ARG  32 -14.466  -7.295  -0.414
  233    HE   ARG  32           HE       ARG  32 -13.227  -5.048  -1.625
  234   HH11  ARG  32          HH11      ARG  32 -16.372  -6.450  -1.068
  235   HH12  ARG  32          HH12      ARG  32 -17.197  -4.926  -1.066
  236   HH21  ARG  32          HH21      ARG  32 -14.281  -3.029  -1.581
  237   HH22  ARG  32          HH22      ARG  32 -16.005  -2.975  -1.358
  238    H    SER  33           H        SER  33 -13.007  -7.226   2.488
  239    HA   SER  33           HA       SER  33 -11.264  -9.509   2.804
  240    HB2  SER  33           HB2      SER  33 -10.162  -7.622   4.131
  241    HB3  SER  33           HB3      SER  33 -11.576  -7.652   5.182
  242    HG   SER  33           HG       SER  33 -10.913  -9.460   6.053
  Start of MODEL   40
    1    HA   ALA   1           HA       ALA   1 -16.879   0.942   1.719
    2    HB1  ALA   1           HB1      ALA   1 -14.132  -0.137   2.329
    3    HB2  ALA   1           HB2      ALA   1 -15.646  -0.992   2.615
    4    HB3  ALA   1           HB3      ALA   1 -15.294   0.498   3.491
    5    H    SER   2           H        SER   2 -13.559   1.299   0.458
    6    HA   SER   2           HA       SER   2 -13.909   4.155   0.245
    7    HB2  SER   2           HB2      SER   2 -13.313   3.878   2.671
    8    HB3  SER   2           HB3      SER   2 -11.805   3.112   2.169
    9    HG   SER   2           HG       SER   2 -12.492   5.762   2.211
   10    HA   PRO   3           HA       PRO   3 -11.049   2.236  -2.890
   11    HB2  PRO   3           HB2      PRO   3 -12.395   4.264  -4.582
   12    HB3  PRO   3           HB3      PRO   3 -12.086   2.543  -4.905
   13    HG2  PRO   3           HG2      PRO   3 -14.546   3.413  -4.350
   14    HG3  PRO   3           HG3      PRO   3 -13.956   1.849  -3.749
   15    HD2  PRO   3           HD2      PRO   3 -14.243   4.449  -2.249
   16    HD3  PRO   3           HD3      PRO   3 -14.587   2.773  -1.711
   17    H    GLN   4           H        GLN   4 -11.636   5.300  -1.542
   18    HA   GLN   4           HA       GLN   4  -9.569   6.689  -2.997
   19    HB2  GLN   4           HB2      GLN   4 -11.310   7.502  -0.672
   20    HB3  GLN   4           HB3      GLN   4 -10.072   8.543  -1.363
   21    HG2  GLN   4           HG2      GLN   4 -12.413   7.415  -2.895
   22    HG3  GLN   4           HG3      GLN   4 -12.338   9.042  -2.219
   23   HE21  GLN   4          HE21      GLN   4  -9.527   9.408  -2.837
   24   HE22  GLN   4          HE22      GLN   4  -9.424   9.634  -4.551
   25    H    GLN   5           H        GLN   5 -10.026   5.727   0.421
   26    HA   GLN   5           HA       GLN   5  -7.399   6.460   1.153
   27    HB2  GLN   5           HB2      GLN   5  -7.784   5.496   3.249
   28    HB3  GLN   5           HB3      GLN   5  -9.372   6.031   2.730
   29    HG2  GLN   5           HG2      GLN   5  -9.976   3.782   2.118
   30    HG3  GLN   5           HG3      GLN   5  -8.350   3.215   2.480
   31   HE21  GLN   5          HE21      GLN   5  -8.105   4.886   4.865
   32   HE22  GLN   5          HE22      GLN   5  -9.085   4.129   6.076
   33    H    ALA   6           H        ALA   6  -8.748   3.622  -0.277
   34    HA   ALA   6           HA       ALA   6  -6.652   1.807   0.096
   35    HB1  ALA   6           HB1      ALA   6  -7.436   0.723  -1.976
   36    HB2  ALA   6           HB2      ALA   6  -8.472   2.111  -2.290
   37    HB3  ALA   6           HB3      ALA   6  -8.761   1.100  -0.872
   38    H    LYS   7           H        LYS   7  -7.068   4.417  -2.243
   39    HA   LYS   7           HA       LYS   7  -4.795   3.836  -3.814
   40    HB2  LYS   7           HB2      LYS   7  -6.601   5.419  -4.495
   41    HB3  LYS   7           HB3      LYS   7  -6.037   6.549  -3.276
   42    HG2  LYS   7           HG2      LYS   7  -5.213   7.246  -5.408
   43    HG3  LYS   7           HG3      LYS   7  -3.840   6.650  -4.439
   44    HD2  LYS   7           HD2      LYS   7  -3.941   4.497  -5.620
   45    HD3  LYS   7           HD3      LYS   7  -5.328   5.056  -6.557
   46    HE2  LYS   7           HE2      LYS   7  -3.318   5.237  -7.909
   47    HE3  LYS   7           HE3      LYS   7  -3.908   6.851  -7.514
   48    HZ1  LYS   7           HZ1      LYS   7  -1.747   5.485  -6.015
   49    HZ2  LYS   7           HZ2      LYS   7  -2.210   7.108  -5.882
   50    HZ3  LYS   7           HZ3      LYS   7  -1.469   6.550  -7.296
   51    H    TYR   8           H        TYR   8  -5.272   5.747  -0.893
   52    HA   TYR   8           HA       TYR   8  -2.661   6.785  -0.698
   53    HB2  TYR   8           HB2      TYR   8  -4.545   7.695   0.608
   54    HB3  TYR   8           HB3      TYR   8  -4.656   6.179   1.504
   55    HD1  TYR   8           HD1      TYR   8  -3.225   5.725   3.345
   56    HD2  TYR   8           HD2      TYR   8  -2.562   9.165   0.939
   57    HE1  TYR   8           HE1      TYR   8  -1.637   6.575   5.014
   58    HE2  TYR   8           HE2      TYR   8  -0.972  10.030   2.605
   59    HH   TYR   8           HH       TYR   8   0.223   8.103   5.178
   60    H    CYS   9           H        CYS   9  -4.163   3.836   0.552
   61    HA   CYS   9           HA       CYS   9  -2.056   2.918   2.134
   62    HB2  CYS   9           HB2      CYS   9  -4.428   1.947   1.925
   63    HB3  CYS   9           HB3      CYS   9  -3.828   1.064   0.517
   64    H    TYR  10           H        TYR  10  -2.737   2.217  -1.290
   65    HA   TYR  10           HA       TYR  10  -0.364   0.641  -1.604
   66    HB2  TYR  10           HB2      TYR  10  -2.353   1.745  -3.603
   67    HB3  TYR  10           HB3      TYR  10  -0.967   0.748  -4.057
   68    HD1  TYR  10           HD1      TYR  10  -4.347   0.758  -2.818
   69    HD2  TYR  10           HD2      TYR  10  -0.807  -1.578  -3.127
   70    HE1  TYR  10           HE1      TYR  10  -5.656  -1.272  -2.421
   71    HE2  TYR  10           HE2      TYR  10  -2.110  -3.610  -2.734
   72    HH   TYR  10           HH       TYR  10  -5.504  -3.682  -2.883
   73    H    GLU  11           H        GLU  11  -1.235   3.981  -2.364
   74    HA   GLU  11           HA       GLU  11   0.945   4.517  -4.060
   75    HB2  GLU  11           HB2      GLU  11  -1.173   5.885  -3.843
   76    HB3  GLU  11           HB3      GLU  11  -0.518   6.527  -2.322
   77    HG2  GLU  11           HG2      GLU  11   1.346   7.512  -3.523
   78    HG3  GLU  11           HG3      GLU  11   0.744   6.822  -5.050
   79    H    GLN  12           H        GLN  12   0.571   4.686  -0.563
   80    HA   GLN  12           HA       GLN  12   3.084   6.040  -0.203
   81    HB2  GLN  12           HB2      GLN  12   1.290   4.743   1.854
   82    HB3  GLN  12           HB3      GLN  12   2.658   5.788   2.184
   83    HG2  GLN  12           HG2      GLN  12   0.212   6.595   0.657
   84    HG3  GLN  12           HG3      GLN  12   0.511   6.940   2.353
   85   HE21  GLN  12          HE21      GLN  12   1.380   7.663  -0.914
   86   HE22  GLN  12          HE22      GLN  12   2.284   9.107  -0.580
   87    H    CYS  13           H        CYS  13   2.094   2.800  -0.618
   88    HA   CYS  13           HA       CYS  13   3.835   1.347   0.953
   89    HB2  CYS  13           HB2      CYS  13   2.903   0.745  -1.877
   90    HB3  CYS  13           HB3      CYS  13   3.732  -0.411  -0.836
   91    H    ASN  14           H        ASN  14   4.471   2.531  -2.363
   92    HA   ASN  14           HA       ASN  14   7.188   1.597  -2.259
   93    HB2  ASN  14           HB2      ASN  14   5.855   1.742  -4.386
   94    HB3  ASN  14           HB3      ASN  14   5.958   3.498  -4.283
   95   HD21  ASN  14          HD21      ASN  14   8.539   1.228  -3.441
   96   HD22  ASN  14          HD22      ASN  14   9.608   1.724  -4.710
   97    H    VAL  15           H        VAL  15   5.531   4.515  -1.464
   98    HA   VAL  15           HA       VAL  15   7.735   6.292  -1.614
   99    HB   VAL  15           HB       VAL  15   5.128   6.486  -0.101
  100   HG11  VAL  15          HG11      VAL  15   5.623   8.862   0.202
  101   HG12  VAL  15          HG12      VAL  15   7.209   8.631  -0.532
  102   HG13  VAL  15          HG13      VAL  15   6.830   7.855   1.006
  103   HG21  VAL  15          HG21      VAL  15   4.545   8.103  -1.870
  104   HG22  VAL  15          HG22      VAL  15   4.868   6.497  -2.519
  105   HG23  VAL  15          HG23      VAL  15   6.083   7.766  -2.663
  106    H    ASN  16           H        ASN  16   6.277   4.405   1.035
  107    HA   ASN  16           HA       ASN  16   8.169   5.465   2.942
  108    HB2  ASN  16           HB2      ASN  16   6.246   3.122   3.163
  109    HB3  ASN  16           HB3      ASN  16   7.193   3.792   4.497
  110   HD21  ASN  16          HD21      ASN  16   6.852   6.541   3.616
  111   HD22  ASN  16          HD22      ASN  16   5.216   6.961   3.989
  112    H    LYS  17           H        LYS  17   7.545   2.022   2.405
  113    HA   LYS  17           HA       LYS  17   9.720   1.352   0.877
  114    HB2  LYS  17           HB2      LYS  17  11.092   2.145   2.812
  115    HB3  LYS  17           HB3      LYS  17  10.343   0.883   3.802
  116    HG2  LYS  17           HG2      LYS  17  11.272  -0.835   2.318
  117    HG3  LYS  17           HG3      LYS  17  12.025   0.429   1.337
  118    HD2  LYS  17           HD2      LYS  17  13.395   1.146   3.182
  119    HD3  LYS  17           HD3      LYS  17  12.586   0.017   4.291
  120    HE2  LYS  17           HE2      LYS  17  13.404  -1.849   2.833
  121    HE3  LYS  17           HE3      LYS  17  14.321  -0.660   1.909
  122    HZ1  LYS  17           HZ1      LYS  17  15.715  -1.707   3.548
  123    HZ2  LYS  17           HZ2      LYS  17  14.658  -1.272   4.792
  124    HZ3  LYS  17           HZ3      LYS  17  15.508  -0.077   3.949
  125    H    VAL  18           H        VAL  18   7.833   0.032   0.180
  126    HA   VAL  18           HA       VAL  18   8.089  -2.587   1.292
  127    HB   VAL  18           HB       VAL  18   6.536  -1.964   2.950
  128   HG11  VAL  18          HG11      VAL  18   5.782   0.140   2.044
  129   HG12  VAL  18          HG12      VAL  18   4.390  -0.858   2.468
  130   HG13  VAL  18          HG13      VAL  18   4.881  -0.697   0.782
  131   HG21  VAL  18          HG21      VAL  18   5.949  -4.093   2.068
  132   HG22  VAL  18          HG22      VAL  18   5.122  -3.367   0.693
  133   HG23  VAL  18          HG23      VAL  18   4.438  -3.211   2.312
  134    HA   PRO  19           HA       PRO  19   7.351  -3.421  -3.033
  135    HB2  PRO  19           HB2      PRO  19   6.948  -6.150  -1.925
  136    HB3  PRO  19           HB3      PRO  19   8.022  -5.616  -3.230
  137    HG2  PRO  19           HG2      PRO  19   9.016  -6.259  -0.843
  138    HG3  PRO  19           HG3      PRO  19   9.667  -4.897  -1.775
  139    HD2  PRO  19           HD2      PRO  19   7.842  -4.856   0.600
  140    HD3  PRO  19           HD3      PRO  19   9.174  -3.757   0.162
  141    H    PHE  20           H        PHE  20   5.563  -3.750  -4.269
  142    HA   PHE  20           HA       PHE  20   3.061  -3.178  -3.197
  143    HB2  PHE  20           HB2      PHE  20   3.842  -2.857  -5.591
  144    HB3  PHE  20           HB3      PHE  20   3.515  -4.566  -5.841
  145    HD1  PHE  20           HD1      PHE  20   2.086  -1.260  -5.465
  146    HD2  PHE  20           HD2      PHE  20   1.210  -5.414  -5.749
  147    HE1  PHE  20           HE1      PHE  20  -0.260  -0.725  -5.981
  148    HE2  PHE  20           HE2      PHE  20  -1.139  -4.887  -6.267
  149    HZ   PHE  20           HZ       PHE  20  -1.875  -2.540  -6.383
  150    H    ASP  21           H        ASP  21   4.489  -6.304  -4.015
  151    HA   ASP  21           HA       ASP  21   2.133  -7.836  -3.716
  152    HB2  ASP  21           HB2      ASP  21   3.728  -9.765  -3.444
  153    HB3  ASP  21           HB3      ASP  21   3.976  -8.806  -4.900
  154    H    GLN  22           H        GLN  22   4.790  -7.174  -1.438
  155    HA   GLN  22           HA       GLN  22   3.582  -8.529   0.742
  156    HB2  GLN  22           HB2      GLN  22   6.003  -8.017   0.641
  157    HB3  GLN  22           HB3      GLN  22   5.643  -6.300   0.771
  158    HG2  GLN  22           HG2      GLN  22   4.501  -6.869   2.971
  159    HG3  GLN  22           HG3      GLN  22   5.290  -8.447   2.834
  160   HE21  GLN  22          HE21      GLN  22   5.657  -6.372   4.839
  161   HE22  GLN  22          HE22      GLN  22   7.336  -5.951   4.796
  162    H    CYS  23           H        CYS  23   3.386  -5.243  -0.488
  163    HA   CYS  23           HA       CYS  23   2.039  -4.205   1.810
  164    HB2  CYS  23           HB2      CYS  23   3.194  -2.992  -0.318
  165    HB3  CYS  23           HB3      CYS  23   1.493  -2.912  -0.799
  166    H    TYR  24           H        TYR  24   1.029  -5.801  -1.122
  167    HA   TYR  24           HA       TYR  24  -1.709  -5.396  -1.054
  168    HB2  TYR  24           HB2      TYR  24  -0.495  -6.648  -2.846
  169    HB3  TYR  24           HB3      TYR  24  -0.297  -8.002  -1.725
  170    HD1  TYR  24           HD1      TYR  24  -2.239  -9.361  -1.067
  171    HD2  TYR  24           HD2      TYR  24  -2.599  -6.218  -3.907
  172    HE1  TYR  24           HE1      TYR  24  -4.402 -10.268  -1.785
  173    HE2  TYR  24           HE2      TYR  24  -4.766  -7.114  -4.631
  174    HH   TYR  24           HH       TYR  24  -6.416  -9.581  -2.879
  175    H    GLN  25           H        GLN  25   0.303  -7.445   0.981
  176    HA   GLN  25           HA       GLN  25  -1.843  -8.992   2.023
  177    HB2  GLN  25           HB2      GLN  25  -0.266 -10.071   3.314
  178    HB3  GLN  25           HB3      GLN  25   0.816  -9.339   2.134
  179    HG2  GLN  25           HG2      GLN  25   1.235  -7.481   3.708
  180    HG3  GLN  25           HG3      GLN  25   0.193  -8.270   4.888
  181   HE21  GLN  25          HE21      GLN  25   1.153 -10.946   4.071
  182   HE22  GLN  25          HE22      GLN  25   2.727 -11.098   4.773
  183    H    MET  26           H        MET  26  -0.625  -5.834   2.739
  184    HA   MET  26           HA       MET  26  -2.022  -5.705   5.284
  185    HB2  MET  26           HB2      MET  26   0.139  -4.644   5.229
  186    HB3  MET  26           HB3      MET  26  -0.294  -3.735   3.792
  187    HG2  MET  26           HG2      MET  26  -1.970  -2.487   5.111
  188    HG3  MET  26           HG3      MET  26  -1.453  -3.363   6.552
  189    HE1  MET  26           HE1      MET  26   1.321  -0.467   4.235
  190    HE2  MET  26           HE2      MET  26  -0.327  -0.837   3.731
  191    HE3  MET  26           HE3      MET  26   0.922  -2.077   3.642
  192    H    CYS  27           H        CYS  27  -2.190  -4.125   2.084
  193    HA   CYS  27           HA       CYS  27  -4.477  -2.559   2.882
  194    HB2  CYS  27           HB2      CYS  27  -3.353  -2.936   0.084
  195    HB3  CYS  27           HB3      CYS  27  -4.457  -1.657   0.626
  196    H    SER  28           H        SER  28  -4.168  -5.759   1.796
  197    HA   SER  28           HA       SER  28  -6.335  -5.973   0.060
  198    HB2  SER  28           HB2      SER  28  -6.351  -8.448   0.872
  199    HB3  SER  28           HB3      SER  28  -4.962  -7.822  -0.024
  200    HG   SER  28           HG       SER  28  -3.763  -7.888   1.735
  201    HA   PRO  29           HA       PRO  29  -9.225  -7.167   3.807
  202    HB2  PRO  29           HB2      PRO  29  -7.897  -5.646   5.984
  203    HB3  PRO  29           HB3      PRO  29  -8.717  -7.217   6.046
  204    HG2  PRO  29           HG2      PRO  29  -6.065  -7.110   6.157
  205    HG3  PRO  29           HG3      PRO  29  -6.878  -8.366   5.189
  206    HD2  PRO  29           HD2      PRO  29  -5.575  -5.810   4.262
  207    HD3  PRO  29           HD3      PRO  29  -5.493  -7.444   3.554
  208    H    LEU  30           H        LEU  30  -7.673  -4.249   3.066
  209    HA   LEU  30           HA       LEU  30  -9.827  -2.524   3.989
  210    HB2  LEU  30           HB2      LEU  30  -7.285  -2.000   4.045
  211    HB3  LEU  30           HB3      LEU  30  -7.451  -1.725   2.303
  212    HG   LEU  30           HG       LEU  30  -8.786  -0.150   4.531
  213   HD11  LEU  30          HD11      LEU  30  -6.421   0.335   4.248
  214   HD12  LEU  30          HD12      LEU  30  -7.398   1.683   3.666
  215   HD13  LEU  30          HD13      LEU  30  -6.660   0.570   2.514
  216   HD21  LEU  30          HD21      LEU  30  -8.967   0.305   1.547
  217   HD22  LEU  30          HD22      LEU  30  -9.694   1.296   2.813
  218   HD23  LEU  30          HD23      LEU  30 -10.259  -0.355   2.548
  219    H    GLU  31           H        GLU  31  -8.135  -3.146   0.936
  220    HA   GLU  31           HA       GLU  31 -10.154  -1.790  -0.591
  221    HB2  GLU  31           HB2      GLU  31  -7.767  -1.658  -1.203
  222    HB3  GLU  31           HB3      GLU  31  -7.756  -3.399  -1.508
  223    HG2  GLU  31           HG2      GLU  31  -9.460  -3.040  -3.283
  224    HG3  GLU  31           HG3      GLU  31  -9.275  -1.295  -3.052
  225    H    ARG  32           H        ARG  32  -9.436  -5.136   0.144
  226    HA   ARG  32           HA       ARG  32 -11.375  -5.963  -1.915
  227    HB2  ARG  32           HB2      ARG  32  -9.190  -7.615  -0.600
  228    HB3  ARG  32           HB3      ARG  32 -10.345  -8.233  -1.778
  229    HG2  ARG  32           HG2      ARG  32  -8.283  -6.064  -2.317
  230    HG3  ARG  32           HG3      ARG  32  -8.099  -7.759  -2.753
  231    HD2  ARG  32           HD2      ARG  32  -8.747  -6.497  -4.693
  232    HD3  ARG  32           HD3      ARG  32 -10.085  -7.544  -4.242
  233    HE   ARG  32           HE       ARG  32 -10.431  -5.015  -3.046
  234   HH11  ARG  32          HH11      ARG  32 -10.508  -6.510  -6.210
  235   HH12  ARG  32          HH12      ARG  32 -11.641  -5.368  -6.859
  236   HH21  ARG  32          HH21      ARG  32 -11.920  -3.514  -3.889
  237   HH22  ARG  32          HH22      ARG  32 -12.458  -3.672  -5.532
  238    H    SER  33           H        SER  33 -13.267  -6.669  -1.264
  239    HA   SER  33           HA       SER  33 -13.583  -7.419   1.565
  240    HB2  SER  33           HB2      SER  33 -15.768  -6.562  -0.364
  241    HB3  SER  33           HB3      SER  33 -15.902  -6.753   1.384
  242    HG   SER  33           HG       SER  33 -14.067  -5.095   1.327
  Start of MODEL   41
    1    HA   ALA   1           HA       ALA   1 -16.213   1.857   1.129
    2    HB1  ALA   1           HB1      ALA   1 -18.654   2.131   1.289
    3    HB2  ALA   1           HB2      ALA   1 -17.964   3.059  -0.041
    4    HB3  ALA   1           HB3      ALA   1 -18.433   3.873   1.450
    5    H    SER   2           H        SER   2 -14.384   2.725   0.423
    6    HA   SER   2           HA       SER   2 -14.079   5.475  -0.173
    7    HB2  SER   2           HB2      SER   2 -13.854   5.570   2.352
    8    HB3  SER   2           HB3      SER   2 -12.428   4.544   2.199
    9    HG   SER   2           HG       SER   2 -12.003   6.846   2.286
   10    HA   PRO   3           HA       PRO   3 -11.281   2.484  -2.402
   11    HB2  PRO   3           HB2      PRO   3 -11.801   4.486  -4.536
   12    HB3  PRO   3           HB3      PRO   3 -11.821   2.711  -4.620
   13    HG2  PRO   3           HG2      PRO   3 -14.092   4.108  -4.657
   14    HG3  PRO   3           HG3      PRO   3 -13.970   2.561  -3.794
   15    HD2  PRO   3           HD2      PRO   3 -13.978   5.351  -2.662
   16    HD3  PRO   3           HD3      PRO   3 -14.714   3.852  -2.012
   17    H    GLN   4           H        GLN   4 -11.377   5.941  -1.965
   18    HA   GLN   4           HA       GLN   4  -8.825   6.561  -2.978
   19    HB2  GLN   4           HB2      GLN   4 -10.550   8.258  -2.656
   20    HB3  GLN   4           HB3      GLN   4 -10.498   8.002  -0.916
   21    HG2  GLN   4           HG2      GLN   4  -8.121   8.739  -0.942
   22    HG3  GLN   4           HG3      GLN   4  -8.306   9.140  -2.649
   23   HE21  GLN   4          HE21      GLN   4 -11.093  10.021  -2.228
   24   HE22  GLN   4          HE22      GLN   4 -10.972  11.578  -1.481
   25    H    GLN   5           H        GLN   5  -9.954   5.721   0.278
   26    HA   GLN   5           HA       GLN   5  -7.508   6.244   1.571
   27    HB2  GLN   5           HB2      GLN   5  -8.355   5.150   3.480
   28    HB3  GLN   5           HB3      GLN   5  -9.749   5.888   2.712
   29    HG2  GLN   5           HG2      GLN   5 -10.413   3.749   1.789
   30    HG3  GLN   5           HG3      GLN   5  -8.963   2.993   2.443
   31   HE21  GLN   5          HE21      GLN   5  -9.106   4.499   4.949
   32   HE22  GLN   5          HE22      GLN   5 -10.404   3.798   5.854
   33    H    ALA   6           H        ALA   6  -8.712   3.481  -0.138
   34    HA   ALA   6           HA       ALA   6  -6.574   1.732   0.554
   35    HB1  ALA   6           HB1      ALA   6  -7.368   0.318  -1.253
   36    HB2  ALA   6           HB2      ALA   6  -8.393   1.623  -1.849
   37    HB3  ALA   6           HB3      ALA   6  -8.726   0.890  -0.278
   38    H    LYS   7           H        LYS   7  -7.216   3.930  -2.125
   39    HA   LYS   7           HA       LYS   7  -4.931   3.315  -3.646
   40    HB2  LYS   7           HB2      LYS   7  -6.849   4.585  -4.537
   41    HB3  LYS   7           HB3      LYS   7  -6.451   5.927  -3.475
   42    HG2  LYS   7           HG2      LYS   7  -5.679   6.420  -5.685
   43    HG3  LYS   7           HG3      LYS   7  -4.274   6.155  -4.620
   44    HD2  LYS   7           HD2      LYS   7  -4.144   3.811  -5.471
   45    HD3  LYS   7           HD3      LYS   7  -5.447   4.178  -6.606
   46    HE2  LYS   7           HE2      LYS   7  -3.281   4.354  -7.725
   47    HE3  LYS   7           HE3      LYS   7  -4.038   5.943  -7.610
   48    HZ1  LYS   7           HZ1      LYS   7  -1.683   6.010  -7.051
   49    HZ2  LYS   7           HZ2      LYS   7  -1.934   4.918  -5.786
   50    HZ3  LYS   7           HZ3      LYS   7  -2.636   6.455  -5.727
   51    H    TYR   8           H        TYR   8  -5.483   5.538  -0.975
   52    HA   TYR   8           HA       TYR   8  -2.958   6.800  -1.006
   53    HB2  TYR   8           HB2      TYR   8  -4.910   7.660   0.267
   54    HB3  TYR   8           HB3      TYR   8  -4.776   6.284   1.363
   55    HD1  TYR   8           HD1      TYR   8  -3.176   6.252   3.121
   56    HD2  TYR   8           HD2      TYR   8  -3.129   9.388   0.251
   57    HE1  TYR   8           HE1      TYR   8  -1.604   7.505   4.532
   58    HE2  TYR   8           HE2      TYR   8  -1.555  10.655   1.653
   59    HH   TYR   8           HH       TYR   8   0.143   9.280   4.200
   60    H    CYS   9           H        CYS   9  -4.146   3.875   0.579
   61    HA   CYS   9           HA       CYS   9  -1.810   3.293   2.050
   62    HB2  CYS   9           HB2      CYS   9  -4.024   2.176   2.401
   63    HB3  CYS   9           HB3      CYS   9  -3.789   1.303   0.882
   64    H    TYR  10           H        TYR  10  -2.871   2.307  -1.187
   65    HA   TYR  10           HA       TYR  10  -0.549   0.783  -1.772
   66    HB2  TYR  10           HB2      TYR  10  -2.781   1.911  -3.451
   67    HB3  TYR  10           HB3      TYR  10  -1.368   1.171  -4.209
   68    HD1  TYR  10           HD1      TYR  10  -0.821  -1.207  -3.680
   69    HD2  TYR  10           HD2      TYR  10  -4.521   0.567  -2.558
   70    HE1  TYR  10           HE1      TYR  10  -1.802  -3.436  -3.426
   71    HE2  TYR  10           HE2      TYR  10  -5.513  -1.663  -2.296
   72    HH   TYR  10           HH       TYR  10  -3.629  -4.524  -2.279
   73    H    GLU  11           H        GLU  11  -1.268   4.199  -2.045
   74    HA   GLU  11           HA       GLU  11   0.879   4.688  -3.870
   75    HB2  GLU  11           HB2      GLU  11   0.306   6.965  -3.782
   76    HB3  GLU  11           HB3      GLU  11  -1.237   6.115  -3.585
   77    HG2  GLU  11           HG2      GLU  11  -1.082   6.483  -1.159
   78    HG3  GLU  11           HG3      GLU  11   0.419   7.398  -1.422
   79    H    GLN  12           H        GLN  12   0.444   5.033  -0.356
   80    HA   GLN  12           HA       GLN  12   3.075   6.139  -0.053
   81    HB2  GLN  12           HB2      GLN  12   1.031   5.254   1.986
   82    HB3  GLN  12           HB3      GLN  12   2.561   6.008   2.395
   83    HG2  GLN  12           HG2      GLN  12   0.692   7.346   0.508
   84    HG3  GLN  12           HG3      GLN  12   0.414   7.427   2.238
   85   HE21  GLN  12          HE21      GLN  12   3.636   7.287   0.937
   86   HE22  GLN  12          HE22      GLN  12   4.060   8.923   1.302
   87    H    CYS  13           H        CYS  13   1.738   2.935   0.037
   88    HA   CYS  13           HA       CYS  13   3.426   1.741   1.908
   89    HB2  CYS  13           HB2      CYS  13   2.848  -0.394   0.857
   90    HB3  CYS  13           HB3      CYS  13   1.416   0.638   0.952
   91    H    ASN  14           H        ASN  14   3.881   1.856  -1.645
   92    HA   ASN  14           HA       ASN  14   6.507   0.751  -1.469
   93    HB2  ASN  14           HB2      ASN  14   6.715   1.492  -3.868
   94    HB3  ASN  14           HB3      ASN  14   5.344   0.448  -3.528
   95   HD21  ASN  14          HD21      ASN  14   6.291   3.784  -4.258
   96   HD22  ASN  14          HD22      ASN  14   4.713   4.279  -4.775
   97    H    VAL  15           H        VAL  15   5.252   3.994  -1.329
   98    HA   VAL  15           HA       VAL  15   7.681   5.351  -1.833
   99    HB   VAL  15           HB       VAL  15   5.223   6.240  -0.313
  100   HG11  VAL  15          HG11      VAL  15   7.160   7.491   0.492
  101   HG12  VAL  15          HG12      VAL  15   6.121   8.525  -0.491
  102   HG13  VAL  15          HG13      VAL  15   7.615   7.879  -1.167
  103   HG21  VAL  15          HG21      VAL  15   4.784   7.579  -2.320
  104   HG22  VAL  15          HG22      VAL  15   4.870   5.860  -2.704
  105   HG23  VAL  15          HG23      VAL  15   6.231   6.916  -3.081
  106    H    ASN  16           H        ASN  16   6.153   4.133   1.127
  107    HA   ASN  16           HA       ASN  16   8.119   5.196   2.890
  108    HB2  ASN  16           HB2      ASN  16   6.338   2.756   3.252
  109    HB3  ASN  16           HB3      ASN  16   7.259   3.554   4.529
  110   HD21  ASN  16          HD21      ASN  16   6.701   6.230   3.616
  111   HD22  ASN  16          HD22      ASN  16   5.034   6.535   3.983
  112    H    LYS  17           H        LYS  17   7.595   1.719   2.429
  113    HA   LYS  17           HA       LYS  17   9.762   1.132   0.862
  114    HB2  LYS  17           HB2      LYS  17  11.451   0.219   2.365
  115    HB3  LYS  17           HB3      LYS  17  11.193   1.933   2.703
  116    HG2  LYS  17           HG2      LYS  17   9.985  -0.319   4.318
  117    HG3  LYS  17           HG3      LYS  17  11.510   0.475   4.714
  118    HD2  LYS  17           HD2      LYS  17  10.395   2.597   5.022
  119    HD3  LYS  17           HD3      LYS  17   8.844   1.921   4.475
  120    HE2  LYS  17           HE2      LYS  17   8.875   2.057   6.897
  121    HE3  LYS  17           HE3      LYS  17   8.901   0.364   6.403
  122    HZ1  LYS  17           HZ1      LYS  17  10.456   0.745   8.183
  123    HZ2  LYS  17           HZ2      LYS  17  11.235   1.962   7.306
  124    HZ3  LYS  17           HZ3      LYS  17  11.305   0.358   6.773
  125    H    VAL  18           H        VAL  18   7.944  -0.228   0.116
  126    HA   VAL  18           HA       VAL  18   8.160  -2.834   1.397
  127    HB   VAL  18           HB       VAL  18   5.928  -3.293   1.796
  128   HG11  VAL  18          HG11      VAL  18   6.659  -1.586   3.390
  129   HG12  VAL  18          HG12      VAL  18   4.921  -1.520   3.098
  130   HG13  VAL  18          HG13      VAL  18   5.986  -0.327   2.352
  131   HG21  VAL  18          HG21      VAL  18   5.116  -2.716  -0.403
  132   HG22  VAL  18          HG22      VAL  18   5.117  -1.002   0.018
  133   HG23  VAL  18          HG23      VAL  18   4.023  -2.115   0.847
  134    HA   PRO  19           HA       PRO  19   8.019  -4.127  -2.919
  135    HB2  PRO  19           HB2      PRO  19   7.315  -6.756  -1.789
  136    HB3  PRO  19           HB3      PRO  19   8.708  -6.307  -2.789
  137    HG2  PRO  19           HG2      PRO  19   8.986  -6.896  -0.181
  138    HG3  PRO  19           HG3      PRO  19   9.979  -5.664  -0.985
  139    HD2  PRO  19           HD2      PRO  19   7.599  -5.288   0.807
  140    HD3  PRO  19           HD3      PRO  19   9.121  -4.368   0.719
  141    H    PHE  20           H        PHE  20   6.331  -4.884  -4.393
  142    HA   PHE  20           HA       PHE  20   3.822  -3.877  -3.789
  143    HB2  PHE  20           HB2      PHE  20   4.620  -4.305  -6.103
  144    HB3  PHE  20           HB3      PHE  20   4.374  -6.030  -5.842
  145    HD1  PHE  20           HD1      PHE  20   2.694  -2.778  -6.156
  146    HD2  PHE  20           HD2      PHE  20   2.194  -6.998  -5.908
  147    HE1  PHE  20           HE1      PHE  20   0.337  -2.536  -6.821
  148    HE2  PHE  20           HE2      PHE  20  -0.161  -6.762  -6.578
  149    HZ   PHE  20           HZ       PHE  20  -1.093  -4.528  -7.035
  150    H    ASP  21           H        ASP  21   4.923  -7.249  -3.570
  151    HA   ASP  21           HA       ASP  21   2.446  -8.417  -2.993
  152    HB2  ASP  21           HB2      ASP  21   3.638 -10.312  -2.151
  153    HB3  ASP  21           HB3      ASP  21   4.567  -9.680  -3.504
  154    H    GLN  22           H        GLN  22   4.829  -6.915  -0.863
  155    HA   GLN  22           HA       GLN  22   3.486  -7.448   1.565
  156    HB2  GLN  22           HB2      GLN  22   5.852  -6.766   1.440
  157    HB3  GLN  22           HB3      GLN  22   5.353  -5.167   0.897
  158    HG2  GLN  22           HG2      GLN  22   5.865  -5.080   3.230
  159    HG3  GLN  22           HG3      GLN  22   4.119  -4.878   3.015
  160   HE21  GLN  22          HE21      GLN  22   2.738  -6.490   3.679
  161   HE22  GLN  22          HE22      GLN  22   3.235  -7.782   4.718
  162    H    CYS  23           H        CYS  23   3.353  -4.773  -0.738
  163    HA   CYS  23           HA       CYS  23   1.615  -3.111   0.757
  164    HB2  CYS  23           HB2      CYS  23   2.903  -2.397  -1.318
  165    HB3  CYS  23           HB3      CYS  23   1.712  -3.286  -2.269
  166    H    TYR  24           H        TYR  24   1.049  -5.693  -1.552
  167    HA   TYR  24           HA       TYR  24  -1.749  -5.465  -1.683
  168    HB2  TYR  24           HB2      TYR  24  -0.273  -6.787  -3.252
  169    HB3  TYR  24           HB3      TYR  24  -0.134  -8.011  -1.979
  170    HD1  TYR  24           HD1      TYR  24  -1.920  -9.527  -1.527
  171    HD2  TYR  24           HD2      TYR  24  -2.437  -6.383  -4.341
  172    HE1  TYR  24           HE1      TYR  24  -3.989 -10.580  -2.315
  173    HE2  TYR  24           HE2      TYR  24  -4.512  -7.428  -5.139
  174    HH   TYR  24           HH       TYR  24  -6.086  -9.908  -3.465
  175    H    GLN  25           H        GLN  25   0.366  -6.930   0.691
  176    HA   GLN  25           HA       GLN  25  -1.727  -8.575   1.807
  177    HB2  GLN  25           HB2      GLN  25   1.095  -7.967   2.703
  178    HB3  GLN  25           HB3      GLN  25  -0.011  -8.940   3.667
  179    HG2  GLN  25           HG2      GLN  25   0.933  -9.585   0.863
  180    HG3  GLN  25           HG3      GLN  25   1.449 -10.370   2.350
  181   HE21  GLN  25          HE21      GLN  25  -1.254 -10.343   3.494
  182   HE22  GLN  25          HE22      GLN  25  -2.135 -11.567   2.646
  183    H    MET  26           H        MET  26  -0.437  -5.400   2.378
  184    HA   MET  26           HA       MET  26  -1.878  -5.158   4.882
  185    HB2  MET  26           HB2      MET  26   0.247  -4.096   4.889
  186    HB3  MET  26           HB3      MET  26  -0.059  -3.322   3.344
  187    HG2  MET  26           HG2      MET  26  -1.751  -1.890   4.388
  188    HG3  MET  26           HG3      MET  26  -1.443  -2.666   5.942
  189    HE1  MET  26           HE1      MET  26   1.393  -1.795   3.289
  190    HE2  MET  26           HE2      MET  26   1.737  -0.127   3.736
  191    HE3  MET  26           HE3      MET  26   0.173  -0.546   3.043
  192    H    CYS  27           H        CYS  27  -1.984  -3.710   1.631
  193    HA   CYS  27           HA       CYS  27  -4.193  -2.020   2.440
  194    HB2  CYS  27           HB2      CYS  27  -2.914  -2.249  -0.299
  195    HB3  CYS  27           HB3      CYS  27  -3.937  -0.934   0.310
  196    H    SER  28           H        SER  28  -3.851  -5.021   0.645
  197    HA   SER  28           HA       SER  28  -6.308  -4.750  -0.745
  198    HB2  SER  28           HB2      SER  28  -4.627  -6.347  -1.544
  199    HB3  SER  28           HB3      SER  28  -4.890  -7.341  -0.103
  200    HG   SER  28           HG       SER  28  -6.670  -8.093  -0.943
  201    HA   PRO  29           HA       PRO  29  -8.252  -7.377   2.925
  202    HB2  PRO  29           HB2      PRO  29  -6.393  -6.433   5.057
  203    HB3  PRO  29           HB3      PRO  29  -7.237  -7.989   4.905
  204    HG2  PRO  29           HG2      PRO  29  -4.652  -7.867   4.355
  205    HG3  PRO  29           HG3      PRO  29  -5.743  -8.792   3.288
  206    HD2  PRO  29           HD2      PRO  29  -4.569  -6.048   2.878
  207    HD3  PRO  29           HD3      PRO  29  -4.756  -7.382   1.715
  208    H    LEU  30           H        LEU  30  -6.855  -4.232   2.939
  209    HA   LEU  30           HA       LEU  30  -8.655  -2.970   4.757
  210    HB2  LEU  30           HB2      LEU  30  -6.377  -2.113   3.918
  211    HB3  LEU  30           HB3      LEU  30  -7.224  -1.671   2.426
  212    HG   LEU  30           HG       LEU  30  -7.792  -0.541   5.188
  213   HD11  LEU  30          HD11      LEU  30  -6.841   1.528   4.222
  214   HD12  LEU  30          HD12      LEU  30  -6.386   0.615   2.783
  215   HD13  LEU  30          HD13      LEU  30  -5.662   0.222   4.343
  216   HD21  LEU  30          HD21      LEU  30  -9.783  -0.605   3.711
  217   HD22  LEU  30          HD22      LEU  30  -8.886   0.325   2.509
  218   HD23  LEU  30          HD23      LEU  30  -9.246   1.036   4.081
  219    H    GLU  31           H        GLU  31  -8.444  -3.062   1.226
  220    HA   GLU  31           HA       GLU  31 -11.043  -1.844   0.926
  221    HB2  GLU  31           HB2      GLU  31  -8.967  -1.566  -0.608
  222    HB3  GLU  31           HB3      GLU  31  -9.468  -3.114  -1.301
  223    HG2  GLU  31           HG2      GLU  31 -11.220  -0.647  -1.199
  224    HG3  GLU  31           HG3      GLU  31 -10.232  -1.125  -2.586
  225    H    ARG  32           H        ARG  32  -9.614  -4.991   0.071
  226    HA   ARG  32           HA       ARG  32 -12.319  -6.115  -0.007
  227    HB2  ARG  32           HB2      ARG  32 -11.501  -5.439  -2.330
  228    HB3  ARG  32           HB3      ARG  32 -10.229  -6.650  -2.134
  229    HG2  ARG  32           HG2      ARG  32 -11.988  -7.607  -3.465
  230    HG3  ARG  32           HG3      ARG  32 -11.980  -8.399  -1.889
  231    HD2  ARG  32           HD2      ARG  32 -14.219  -7.597  -3.018
  232    HD3  ARG  32           HD3      ARG  32 -13.999  -7.502  -1.275
  233    HE   ARG  32           HE       ARG  32 -13.115  -5.092  -2.373
  234   HH11  ARG  32          HH11      ARG  32 -16.111  -6.888  -2.133
  235   HH12  ARG  32          HH12      ARG  32 -17.101  -5.465  -2.084
  236   HH21  ARG  32          HH21      ARG  32 -14.401  -3.221  -2.292
  237   HH22  ARG  32          HH22      ARG  32 -16.132  -3.377  -2.181
  238    H    SER  33           H        SER  33 -11.949  -7.257   1.884
  239    HA   SER  33           HA       SER  33  -9.697  -9.125   1.920
  240    HB2  SER  33           HB2      SER  33 -10.639  -9.563   4.313
  241    HB3  SER  33           HB3      SER  33  -9.815  -8.035   4.006
  242    HG   SER  33           HG       SER  33 -12.531  -8.561   4.427
  Start of MODEL   42
    1    HA   ALA   1           HA       ALA   1 -14.566  -0.785   0.645
    2    HB1  ALA   1           HB1      ALA   1 -17.216   0.635   0.863
    3    HB2  ALA   1           HB2      ALA   1 -16.943  -0.930   0.099
    4    HB3  ALA   1           HB3      ALA   1 -16.216   0.523  -0.585
    5    H    SER   2           H        SER   2 -13.205   0.837   0.154
    6    HA   SER   2           HA       SER   2 -13.501   3.511   1.146
    7    HB2  SER   2           HB2      SER   2 -12.665   2.162   3.187
    8    HB3  SER   2           HB3      SER   2 -11.149   1.990   2.301
    9    HG   SER   2           HG       SER   2 -11.673   3.927   3.835
   10    HA   PRO   3           HA       PRO   3 -11.110   2.491  -2.785
   11    HB2  PRO   3           HB2      PRO   3 -12.513   4.982  -3.608
   12    HB3  PRO   3           HB3      PRO   3 -12.291   3.457  -4.494
   13    HG2  PRO   3           HG2      PRO   3 -14.645   4.069  -3.423
   14    HG3  PRO   3           HG3      PRO   3 -14.023   2.404  -3.385
   15    HD2  PRO   3           HD2      PRO   3 -14.128   4.424  -1.154
   16    HD3  PRO   3           HD3      PRO   3 -14.373   2.650  -1.106
   17    H    GLN   4           H        GLN   4 -11.573   5.679  -1.264
   18    HA   GLN   4           HA       GLN   4  -9.298   6.811  -2.577
   19    HB2  GLN   4           HB2      GLN   4 -10.916   7.809  -0.231
   20    HB3  GLN   4           HB3      GLN   4  -9.608   8.713  -0.981
   21    HG2  GLN   4           HG2      GLN   4 -12.164   7.849  -2.337
   22    HG3  GLN   4           HG3      GLN   4 -11.775   9.479  -1.794
   23   HE21  GLN   4          HE21      GLN   4  -8.974   9.256  -2.659
   24   HE22  GLN   4          HE22      GLN   4  -9.006   9.392  -4.385
   25    H    GLN   5           H        GLN   5  -9.916   5.575   0.666
   26    HA   GLN   5           HA       GLN   5  -7.345   6.184   1.678
   27    HB2  GLN   5           HB2      GLN   5  -9.358   4.128   2.583
   28    HB3  GLN   5           HB3      GLN   5  -7.880   4.505   3.455
   29    HG2  GLN   5           HG2      GLN   5 -10.135   6.434   2.898
   30    HG3  GLN   5           HG3      GLN   5  -9.817   5.632   4.432
   31   HE21  GLN   5          HE21      GLN   5  -6.898   5.933   4.116
   32   HE22  GLN   5          HE22      GLN   5  -6.573   7.600   4.451
   33    H    ALA   6           H        ALA   6  -8.698   3.452  -0.024
   34    HA   ALA   6           HA       ALA   6  -6.526   1.680   0.257
   35    HB1  ALA   6           HB1      ALA   6  -8.466   1.899  -2.038
   36    HB2  ALA   6           HB2      ALA   6  -8.706   0.947  -0.573
   37    HB3  ALA   6           HB3      ALA   6  -7.412   0.530  -1.699
   38    H    LYS   7           H        LYS   7  -7.208   4.235  -2.074
   39    HA   LYS   7           HA       LYS   7  -5.011   3.693  -3.771
   40    HB2  LYS   7           HB2      LYS   7  -6.942   5.089  -4.454
   41    HB3  LYS   7           HB3      LYS   7  -6.442   6.325  -3.309
   42    HG2  LYS   7           HG2      LYS   7  -5.802   6.863  -5.613
   43    HG3  LYS   7           HG3      LYS   7  -4.394   6.707  -4.533
   44    HD2  LYS   7           HD2      LYS   7  -4.043   4.401  -5.362
   45    HD3  LYS   7           HD3      LYS   7  -5.415   4.588  -6.459
   46    HE2  LYS   7           HE2      LYS   7  -3.215   4.934  -7.576
   47    HE3  LYS   7           HE3      LYS   7  -4.264   6.347  -7.657
   48    HZ1  LYS   7           HZ1      LYS   7  -1.946   6.881  -7.100
   49    HZ2  LYS   7           HZ2      LYS   7  -2.090   5.989  -5.672
   50    HZ3  LYS   7           HZ3      LYS   7  -3.030   7.379  -5.901
   51    H    TYR   8           H        TYR   8  -5.401   5.610  -0.863
   52    HA   TYR   8           HA       TYR   8  -2.840   6.814  -0.870
   53    HB2  TYR   8           HB2      TYR   8  -4.715   7.599   0.556
   54    HB3  TYR   8           HB3      TYR   8  -4.607   6.106   1.488
   55    HD1  TYR   8           HD1      TYR   8  -2.947   5.809   3.166
   56    HD2  TYR   8           HD2      TYR   8  -2.895   9.268   0.699
   57    HE1  TYR   8           HE1      TYR   8  -1.306   6.841   4.670
   58    HE2  TYR   8           HE2      TYR   8  -1.255  10.322   2.197
   59    HH   TYR   8           HH       TYR   8  -0.466  10.163   4.478
   60    H    CYS   9           H        CYS   9  -4.094   3.803   0.486
   61    HA   CYS   9           HA       CYS   9  -1.803   3.006   1.897
   62    HB2  CYS   9           HB2      CYS   9  -4.089   1.969   2.095
   63    HB3  CYS   9           HB3      CYS   9  -3.806   1.164   0.545
   64    H    TYR  10           H        TYR  10  -2.849   2.155  -1.403
   65    HA   TYR  10           HA       TYR  10  -0.526   0.609  -1.958
   66    HB2  TYR  10           HB2      TYR  10  -2.716   1.758  -3.692
   67    HB3  TYR  10           HB3      TYR  10  -1.325   0.927  -4.392
   68    HD1  TYR  10           HD1      TYR  10  -0.888  -1.446  -3.747
   69    HD2  TYR  10           HD2      TYR  10  -4.533   0.527  -2.792
   70    HE1  TYR  10           HE1      TYR  10  -1.969  -3.618  -3.428
   71    HE2  TYR  10           HE2      TYR  10  -5.626  -1.647  -2.463
   72    HH   TYR  10           HH       TYR  10  -5.366  -3.969  -3.083
   73    H    GLU  11           H        GLU  11  -1.217   4.007  -2.186
   74    HA   GLU  11           HA       GLU  11   0.926   4.536  -4.007
   75    HB2  GLU  11           HB2      GLU  11  -1.096   6.000  -3.826
   76    HB3  GLU  11           HB3      GLU  11  -0.531   6.511  -2.221
   77    HG2  GLU  11           HG2      GLU  11   1.505   7.418  -3.248
   78    HG3  GLU  11           HG3      GLU  11   0.896   6.938  -4.848
   79    H    GLN  12           H        GLN  12   0.475   4.925  -0.482
   80    HA   GLN  12           HA       GLN  12   3.096   6.084  -0.242
   81    HB2  GLN  12           HB2      GLN  12   1.055   5.332   1.855
   82    HB3  GLN  12           HB3      GLN  12   2.551   6.196   2.175
   83    HG2  GLN  12           HG2      GLN  12   0.668   7.252   0.137
   84    HG3  GLN  12           HG3      GLN  12   0.315   7.478   1.843
   85   HE21  GLN  12          HE21      GLN  12   3.595   7.373   0.716
   86   HE22  GLN  12          HE22      GLN  12   3.928   9.059   0.926
   87    H    CYS  13           H        CYS  13   1.780   2.898  -0.015
   88    HA   CYS  13           HA       CYS  13   3.432   1.779   1.934
   89    HB2  CYS  13           HB2      CYS  13   2.926  -0.394   0.892
   90    HB3  CYS  13           HB3      CYS  13   1.473   0.609   0.982
   91    H    ASN  14           H        ASN  14   3.971   1.818  -1.604
   92    HA   ASN  14           HA       ASN  14   6.619   0.767  -1.342
   93    HB2  ASN  14           HB2      ASN  14   6.856   1.252  -3.736
   94    HB3  ASN  14           HB3      ASN  14   5.323   0.462  -3.406
   95   HD21  ASN  14          HD21      ASN  14   6.852   3.453  -4.425
   96   HD22  ASN  14          HD22      ASN  14   5.389   4.226  -4.944
   97    H    VAL  15           H        VAL  15   5.274   3.981  -1.335
   98    HA   VAL  15           HA       VAL  15   7.666   5.402  -1.829
   99    HB   VAL  15           HB       VAL  15   5.170   6.245  -0.348
  100   HG11  VAL  15          HG11      VAL  15   6.002   8.554  -0.561
  101   HG12  VAL  15          HG12      VAL  15   7.522   7.937  -1.206
  102   HG13  VAL  15          HG13      VAL  15   7.056   7.569   0.455
  103   HG21  VAL  15          HG21      VAL  15   4.720   7.538  -2.387
  104   HG22  VAL  15          HG22      VAL  15   4.848   5.813  -2.731
  105   HG23  VAL  15          HG23      VAL  15   6.189   6.891  -3.118
  106    H    ASN  16           H        ASN  16   6.107   4.275   1.162
  107    HA   ASN  16           HA       ASN  16   8.067   5.353   2.915
  108    HB2  ASN  16           HB2      ASN  16   6.348   2.870   3.294
  109    HB3  ASN  16           HB3      ASN  16   7.210   3.740   4.565
  110   HD21  ASN  16          HD21      ASN  16   6.558   6.372   3.559
  111   HD22  ASN  16          HD22      ASN  16   4.875   6.613   3.889
  112    H    LYS  17           H        LYS  17   7.590   1.869   2.485
  113    HA   LYS  17           HA       LYS  17   9.656   1.319   0.773
  114    HB2  LYS  17           HB2      LYS  17  10.733   1.947   3.302
  115    HB3  LYS  17           HB3      LYS  17  10.825   0.185   3.145
  116    HG2  LYS  17           HG2      LYS  17  11.976   0.475   0.972
  117    HG3  LYS  17           HG3      LYS  17  11.946   2.228   1.217
  118    HD2  LYS  17           HD2      LYS  17  13.179   1.805   3.413
  119    HD3  LYS  17           HD3      LYS  17  13.391   0.134   2.845
  120    HE2  LYS  17           HE2      LYS  17  15.363   1.430   2.303
  121    HE3  LYS  17           HE3      LYS  17  14.515   0.988   0.822
  122    HZ1  LYS  17           HZ1      LYS  17  13.576   3.195   0.720
  123    HZ2  LYS  17           HZ2      LYS  17  15.258   3.302   0.815
  124    HZ3  LYS  17           HZ3      LYS  17  14.316   3.623   2.178
  125    H    VAL  18           H        VAL  18   7.802  -0.090   0.178
  126    HA   VAL  18           HA       VAL  18   8.191  -2.666   1.489
  127    HB   VAL  18           HB       VAL  18   6.012  -3.169   2.023
  128   HG11  VAL  18          HG11      VAL  18   6.689  -1.295   3.448
  129   HG12  VAL  18          HG12      VAL  18   4.942  -1.357   3.212
  130   HG13  VAL  18          HG13      VAL  18   5.909  -0.168   2.335
  131   HG21  VAL  18          HG21      VAL  18   5.102  -2.834  -0.183
  132   HG22  VAL  18          HG22      VAL  18   5.035  -1.086   0.076
  133   HG23  VAL  18          HG23      VAL  18   4.016  -2.163   1.039
  134    HA   PRO  19           HA       PRO  19   8.038  -4.064  -2.783
  135    HB2  PRO  19           HB2      PRO  19   7.222  -6.654  -1.634
  136    HB3  PRO  19           HB3      PRO  19   8.647  -6.263  -2.612
  137    HG2  PRO  19           HG2      PRO  19   8.856  -6.820   0.008
  138    HG3  PRO  19           HG3      PRO  19   9.903  -5.633  -0.793
  139    HD2  PRO  19           HD2      PRO  19   7.513  -5.159   0.959
  140    HD3  PRO  19           HD3      PRO  19   9.058  -4.279   0.868
  141    H    PHE  20           H        PHE  20   6.383  -4.719  -4.315
  142    HA   PHE  20           HA       PHE  20   3.837  -3.740  -3.740
  143    HB2  PHE  20           HB2      PHE  20   4.738  -4.033  -6.045
  144    HB3  PHE  20           HB3      PHE  20   4.484  -5.767  -5.890
  145    HD1  PHE  20           HD1      PHE  20   2.273  -6.721  -6.007
  146    HD2  PHE  20           HD2      PHE  20   2.847  -2.509  -6.203
  147    HE1  PHE  20           HE1      PHE  20  -0.044  -6.445  -6.782
  148    HE2  PHE  20           HE2      PHE  20   0.527  -2.227  -6.979
  149    HZ   PHE  20           HZ       PHE  20  -0.920  -4.197  -7.267
  150    H    ASP  21           H        ASP  21   4.988  -7.090  -3.730
  151    HA   ASP  21           HA       ASP  21   2.526  -8.340  -3.268
  152    HB2  ASP  21           HB2      ASP  21   3.879 -10.229  -2.380
  153    HB3  ASP  21           HB3      ASP  21   4.458  -9.642  -3.935
  154    H    GLN  22           H        GLN  22   4.838  -6.893  -1.029
  155    HA   GLN  22           HA       GLN  22   3.443  -7.656   1.330
  156    HB2  GLN  22           HB2      GLN  22   5.809  -6.989   1.372
  157    HB3  GLN  22           HB3      GLN  22   5.353  -5.353   0.895
  158    HG2  GLN  22           HG2      GLN  22   5.710  -5.351   3.238
  159    HG3  GLN  22           HG3      GLN  22   3.966  -5.219   2.961
  160   HE21  GLN  22          HE21      GLN  22   6.537  -7.176   4.181
  161   HE22  GLN  22          HE22      GLN  22   5.541  -8.379   4.930
  162    H    CYS  23           H        CYS  23   3.396  -4.817  -0.779
  163    HA   CYS  23           HA       CYS  23   1.685  -3.207   0.771
  164    HB2  CYS  23           HB2      CYS  23   2.940  -2.432  -1.292
  165    HB3  CYS  23           HB3      CYS  23   1.740  -3.289  -2.262
  166    H    TYR  24           H        TYR  24   1.002  -5.656  -1.669
  167    HA   TYR  24           HA       TYR  24  -1.780  -5.435  -1.727
  168    HB2  TYR  24           HB2      TYR  24  -0.339  -6.821  -3.284
  169    HB3  TYR  24           HB3      TYR  24  -0.210  -8.018  -1.984
  170    HD1  TYR  24           HD1      TYR  24  -2.259  -9.217  -1.221
  171    HD2  TYR  24           HD2      TYR  24  -2.277  -6.683  -4.630
  172    HE1  TYR  24           HE1      TYR  24  -4.345 -10.262  -1.971
  173    HE2  TYR  24           HE2      TYR  24  -4.367  -7.719  -5.394
  174    HH   TYR  24           HH       TYR  24  -5.593  -9.826  -5.105
  175    H    GLN  25           H        GLN  25   0.339  -7.005   0.597
  176    HA   GLN  25           HA       GLN  25  -1.760  -8.606   1.726
  177    HB2  GLN  25           HB2      GLN  25   1.094  -8.072   2.508
  178    HB3  GLN  25           HB3      GLN  25   0.006  -8.915   3.604
  179    HG2  GLN  25           HG2      GLN  25   0.709  -9.798   0.794
  180    HG3  GLN  25           HG3      GLN  25   1.299 -10.509   2.296
  181   HE21  GLN  25          HE21      GLN  25  -0.104 -11.733   3.563
  182   HE22  GLN  25          HE22      GLN  25  -1.590 -12.364   2.938
  183    H    MET  26           H        MET  26  -0.370  -5.474   2.430
  184    HA   MET  26           HA       MET  26  -1.739  -5.287   4.959
  185    HB2  MET  26           HB2      MET  26   0.346  -4.127   4.820
  186    HB3  MET  26           HB3      MET  26  -0.129  -3.328   3.330
  187    HG2  MET  26           HG2      MET  26  -1.827  -2.049   4.569
  188    HG3  MET  26           HG3      MET  26  -1.304  -2.827   6.063
  189    HE1  MET  26           HE1      MET  26  -0.090  -0.618   3.036
  190    HE2  MET  26           HE2      MET  26   1.248  -1.751   3.212
  191    HE3  MET  26           HE3      MET  26   1.475  -0.054   3.616
  192    H    CYS  27           H        CYS  27  -2.144  -3.920   1.703
  193    HA   CYS  27           HA       CYS  27  -4.344  -2.281   2.586
  194    HB2  CYS  27           HB2      CYS  27  -3.452  -2.775  -0.269
  195    HB3  CYS  27           HB3      CYS  27  -4.409  -1.417   0.351
  196    H    SER  28           H        SER  28  -4.114  -5.510   1.362
  197    HA   SER  28           HA       SER  28  -6.530  -5.627  -0.036
  198    HB2  SER  28           HB2      SER  28  -6.429  -8.149   0.528
  199    HB3  SER  28           HB3      SER  28  -5.147  -7.440  -0.463
  200    HG   SER  28           HG       SER  28  -3.757  -7.616   1.164
  201    HA   PRO  29           HA       PRO  29  -8.763  -7.111   4.070
  202    HB2  PRO  29           HB2      PRO  29  -7.097  -5.625   6.038
  203    HB3  PRO  29           HB3      PRO  29  -7.894  -7.204   6.200
  204    HG2  PRO  29           HG2      PRO  29  -5.267  -7.095   5.860
  205    HG3  PRO  29           HG3      PRO  29  -6.233  -8.318   4.992
  206    HD2  PRO  29           HD2      PRO  29  -5.097  -5.721   3.967
  207    HD3  PRO  29           HD3      PRO  29  -5.142  -7.322   3.184
  208    H    LEU  30           H        LEU  30  -7.354  -4.087   3.334
  209    HA   LEU  30           HA       LEU  30  -9.388  -2.495   4.641
  210    HB2  LEU  30           HB2      LEU  30  -7.247  -1.483   4.655
  211    HB3  LEU  30           HB3      LEU  30  -6.975  -1.872   2.947
  212    HG   LEU  30           HG       LEU  30  -8.660  -0.214   2.289
  213   HD11  LEU  30          HD11      LEU  30 -10.086  -0.285   4.257
  214   HD12  LEU  30          HD12      LEU  30  -9.559   1.362   3.917
  215   HD13  LEU  30          HD13      LEU  30  -8.811   0.453   5.227
  216   HD21  LEU  30          HD21      LEU  30  -7.367   1.783   2.876
  217   HD22  LEU  30          HD22      LEU  30  -6.316   0.437   2.428
  218   HD23  LEU  30          HD23      LEU  30  -6.524   0.870   4.127
  219    H    GLU  31           H        GLU  31  -8.292  -3.044   1.314
  220    HA   GLU  31           HA       GLU  31 -10.487  -1.598   0.198
  221    HB2  GLU  31           HB2      GLU  31  -8.194  -1.836  -0.828
  222    HB3  GLU  31           HB3      GLU  31  -8.623  -3.503  -1.235
  223    HG2  GLU  31           HG2      GLU  31 -10.389  -1.276  -2.178
  224    HG3  GLU  31           HG3      GLU  31  -8.859  -1.587  -3.008
  225    H    ARG  32           H        ARG  32  -9.815  -4.994   0.807
  226    HA   ARG  32           HA       ARG  32 -12.463  -5.652  -0.320
  227    HB2  ARG  32           HB2      ARG  32 -10.173  -7.569   0.240
  228    HB3  ARG  32           HB3      ARG  32 -11.717  -7.984  -0.502
  229    HG2  ARG  32           HG2      ARG  32  -9.522  -6.268  -1.697
  230    HG3  ARG  32           HG3      ARG  32 -10.002  -7.881  -2.210
  231    HD2  ARG  32           HD2      ARG  32 -11.349  -5.258  -2.654
  232    HD3  ARG  32           HD3      ARG  32 -11.020  -6.562  -3.784
  233    HE   ARG  32           HE       ARG  32 -12.825  -7.810  -2.506
  234   HH11  ARG  32          HH11      ARG  32 -12.763  -4.315  -2.831
  235   HH12  ARG  32          HH12      ARG  32 -14.492  -4.161  -2.726
  236   HH21  ARG  32          HH21      ARG  32 -15.101  -7.587  -2.367
  237   HH22  ARG  32          HH22      ARG  32 -15.818  -6.007  -2.450
  238    H    SER  33           H        SER  33 -13.112  -4.649   1.818
  239    HA   SER  33           HA       SER  33 -12.882  -6.556   4.031
  240    HB2  SER  33           HB2      SER  33 -14.029  -4.727   5.351
  241    HB3  SER  33           HB3      SER  33 -12.470  -4.255   4.671
  242    HG   SER  33           HG       SER  33 -14.725  -3.786   3.106
  Start of MODEL   43
    1    HA   ALA   1           HA       ALA   1 -16.445   2.366   0.076
    2    HB1  ALA   1           HB1      ALA   1 -18.872   2.682   0.088
    3    HB2  ALA   1           HB2      ALA   1 -18.081   3.777  -1.043
    4    HB3  ALA   1           HB3      ALA   1 -18.647   4.378   0.514
    5    H    SER   2           H        SER   2 -14.426   3.177  -0.035
    6    HA   SER   2           HA       SER   2 -14.096   6.009  -0.403
    7    HB2  SER   2           HB2      SER   2 -14.041   5.815   2.113
    8    HB3  SER   2           HB3      SER   2 -12.653   4.741   1.951
    9    HG   SER   2           HG       SER   2 -12.569   7.319   2.125
   10    HA   PRO   3           HA       PRO   3 -11.155   3.314  -2.821
   11    HB2  PRO   3           HB2      PRO   3 -11.667   5.549  -4.717
   12    HB3  PRO   3           HB3      PRO   3 -11.590   3.800  -5.023
   13    HG2  PRO   3           HG2      PRO   3 -13.929   5.070  -5.008
   14    HG3  PRO   3           HG3      PRO   3 -13.761   3.442  -4.316
   15    HD2  PRO   3           HD2      PRO   3 -13.960   6.084  -2.881
   16    HD3  PRO   3           HD3      PRO   3 -14.651   4.491  -2.442
   17    H    GLN   4           H        GLN   4 -11.441   6.605  -1.862
   18    HA   GLN   4           HA       GLN   4  -8.937   7.632  -2.531
   19    HB2  GLN   4           HB2      GLN   4 -10.777   9.037  -1.793
   20    HB3  GLN   4           HB3      GLN   4 -10.791   8.247  -0.225
   21    HG2  GLN   4           HG2      GLN   4  -8.508   9.144   0.183
   22    HG3  GLN   4           HG3      GLN   4  -8.633  10.041  -1.331
   23   HE21  GLN   4          HE21      GLN   4 -11.341   9.506   0.808
   24   HE22  GLN   4          HE22      GLN   4 -11.513  11.149   1.318
   25    H    GLN   5           H        GLN   5 -10.037   5.838   0.312
   26    HA   GLN   5           HA       GLN   5  -7.608   6.049   1.759
   27    HB2  GLN   5           HB2      GLN   5  -9.890   4.083   1.943
   28    HB3  GLN   5           HB3      GLN   5  -8.479   3.979   2.980
   29    HG2  GLN   5           HG2      GLN   5  -8.961   6.222   3.851
   30    HG3  GLN   5           HG3      GLN   5 -10.400   6.301   2.833
   31   HE21  GLN   5          HE21      GLN   5 -10.171   6.380   5.784
   32   HE22  GLN   5          HE22      GLN   5 -11.150   5.071   6.355
   33    H    ALA   6           H        ALA   6  -8.927   3.547  -0.345
   34    HA   ALA   6           HA       ALA   6  -6.781   1.759  -0.175
   35    HB1  ALA   6           HB1      ALA   6  -8.667   2.217  -2.479
   36    HB2  ALA   6           HB2      ALA   6  -8.901   1.086  -1.144
   37    HB3  ALA   6           HB3      ALA   6  -7.593   0.835  -2.303
   38    H    LYS   7           H        LYS   7  -7.362   4.531  -2.262
   39    HA   LYS   7           HA       LYS   7  -5.123   4.183  -3.940
   40    HB2  LYS   7           HB2      LYS   7  -6.944   5.673  -4.576
   41    HB3  LYS   7           HB3      LYS   7  -6.634   6.699  -3.184
   42    HG2  LYS   7           HG2      LYS   7  -5.755   7.758  -5.139
   43    HG3  LYS   7           HG3      LYS   7  -4.402   7.231  -4.104
   44    HD2  LYS   7           HD2      LYS   7  -4.384   5.102  -5.563
   45    HD3  LYS   7           HD3      LYS   7  -5.374   6.023  -6.702
   46    HE2  LYS   7           HE2      LYS   7  -3.026   6.197  -7.325
   47    HE3  LYS   7           HE3      LYS   7  -3.611   7.763  -6.763
   48    HZ1  LYS   7           HZ1      LYS   7  -2.574   7.385  -4.643
   49    HZ2  LYS   7           HZ2      LYS   7  -1.417   7.182  -5.861
   50    HZ3  LYS   7           HZ3      LYS   7  -2.094   5.831  -5.101
   51    H    TYR   8           H        TYR   8  -5.540   5.910  -0.879
   52    HA   TYR   8           HA       TYR   8  -2.951   7.062  -0.827
   53    HB2  TYR   8           HB2      TYR   8  -4.884   7.835   0.568
   54    HB3  TYR   8           HB3      TYR   8  -4.715   6.368   1.532
   55    HD1  TYR   8           HD1      TYR   8  -2.986   9.486   0.545
   56    HD2  TYR   8           HD2      TYR   8  -3.137   6.235   3.283
   57    HE1  TYR   8           HE1      TYR   8  -1.348  10.627   1.980
   58    HE2  TYR   8           HE2      TYR   8  -1.497   7.364   4.726
   59    HH   TYR   8           HH       TYR   8   0.288   9.079   4.503
   60    H    CYS   9           H        CYS   9  -4.310   4.077   0.396
   61    HA   CYS   9           HA       CYS   9  -2.171   3.183   1.955
   62    HB2  CYS   9           HB2      CYS   9  -4.358   2.158   2.092
   63    HB3  CYS   9           HB3      CYS   9  -4.267   1.636   0.408
   64    H    TYR  10           H        TYR  10  -2.939   2.285  -1.425
   65    HA   TYR  10           HA       TYR  10  -0.542   0.773  -1.727
   66    HB2  TYR  10           HB2      TYR  10  -2.528   1.833  -3.753
   67    HB3  TYR  10           HB3      TYR  10  -1.143   0.825  -4.181
   68    HD1  TYR  10           HD1      TYR  10  -4.536   0.856  -3.017
   69    HD2  TYR  10           HD2      TYR  10  -0.982  -1.476  -3.133
   70    HE1  TYR  10           HE1      TYR  10  -5.846  -1.165  -2.570
   71    HE2  TYR  10           HE2      TYR  10  -2.284  -3.497  -2.690
   72    HH   TYR  10           HH       TYR  10  -5.672  -3.590  -2.925
   73    H    GLU  11           H        GLU  11  -1.343   4.114  -2.170
   74    HA   GLU  11           HA       GLU  11   0.817   4.856  -3.820
   75    HB2  GLU  11           HB2      GLU  11  -1.157   6.315  -3.333
   76    HB3  GLU  11           HB3      GLU  11  -0.536   6.508  -1.680
   77    HG2  GLU  11           HG2      GLU  11  -0.018   8.423  -3.123
   78    HG3  GLU  11           HG3      GLU  11   1.430   7.615  -2.481
   79    H    GLN  12           H        GLN  12   0.423   5.185  -0.288
   80    HA   GLN  12           HA       GLN  12   3.114   6.089  -0.030
   81    HB2  GLN  12           HB2      GLN  12   1.051   5.374   2.058
   82    HB3  GLN  12           HB3      GLN  12   2.604   6.109   2.411
   83    HG2  GLN  12           HG2      GLN  12   0.790   7.412   0.456
   84    HG3  GLN  12           HG3      GLN  12   0.460   7.556   2.176
   85   HE21  GLN  12          HE21      GLN  12   3.712   7.326   0.920
   86   HE22  GLN  12          HE22      GLN  12   4.158   8.960   1.274
   87    H    CYS  13           H        CYS  13   1.637   2.944   0.147
   88    HA   CYS  13           HA       CYS  13   3.296   1.765   2.066
   89    HB2  CYS  13           HB2      CYS  13   2.636  -0.398   1.131
   90    HB3  CYS  13           HB3      CYS  13   1.238   0.681   1.192
   91    H    ASN  14           H        ASN  14   3.714   1.551  -1.505
   92    HA   ASN  14           HA       ASN  14   6.352   0.514  -1.178
   93    HB2  ASN  14           HB2      ASN  14   6.616   0.636  -3.562
   94    HB3  ASN  14           HB3      ASN  14   5.000   0.051  -3.217
   95   HD21  ASN  14          HD21      ASN  14   3.876   2.680  -2.645
   96   HD22  ASN  14          HD22      ASN  14   3.798   3.512  -4.155
   97    H    VAL  15           H        VAL  15   5.093   3.749  -1.429
   98    HA   VAL  15           HA       VAL  15   7.515   5.049  -2.063
   99    HB   VAL  15           HB       VAL  15   5.078   6.085  -0.603
  100   HG11  VAL  15          HG11      VAL  15   7.441   7.644  -1.663
  101   HG12  VAL  15          HG12      VAL  15   7.040   7.403   0.036
  102   HG13  VAL  15          HG13      VAL  15   5.962   8.338  -1.000
  103   HG21  VAL  15          HG21      VAL  15   4.600   7.215  -2.720
  104   HG22  VAL  15          HG22      VAL  15   4.702   5.470  -2.946
  105   HG23  VAL  15          HG23      VAL  15   6.045   6.501  -3.435
  106    H    ASN  16           H        ASN  16   6.055   4.079   1.030
  107    HA   ASN  16           HA       ASN  16   8.031   5.285   2.671
  108    HB2  ASN  16           HB2      ASN  16   6.378   2.789   3.212
  109    HB3  ASN  16           HB3      ASN  16   7.314   3.682   4.415
  110   HD21  ASN  16          HD21      ASN  16   6.549   6.271   3.200
  111   HD22  ASN  16          HD22      ASN  16   4.912   6.533   3.707
  112    H    LYS  17           H        LYS  17   7.690   1.771   2.364
  113    HA   LYS  17           HA       LYS  17   9.748   1.297   0.612
  114    HB2  LYS  17           HB2      LYS  17  11.501   0.322   2.116
  115    HB3  LYS  17           HB3      LYS  17  11.379   2.086   2.166
  116    HG2  LYS  17           HG2      LYS  17  10.124   1.937   4.255
  117    HG3  LYS  17           HG3      LYS  17  10.223   0.174   4.195
  118    HD2  LYS  17           HD2      LYS  17  12.743   0.409   4.173
  119    HD3  LYS  17           HD3      LYS  17  12.497   2.145   4.472
  120    HE2  LYS  17           HE2      LYS  17  12.931   0.991   6.562
  121    HE3  LYS  17           HE3      LYS  17  11.282   1.608   6.536
  122    HZ1  LYS  17           HZ1      LYS  17  11.387  -0.639   7.414
  123    HZ2  LYS  17           HZ2      LYS  17  12.072  -1.198   5.973
  124    HZ3  LYS  17           HZ3      LYS  17  10.492  -0.600   5.981
  125    H    VAL  18           H        VAL  18   7.963  -0.151   0.015
  126    HA   VAL  18           HA       VAL  18   8.360  -2.739   1.291
  127    HB   VAL  18           HB       VAL  18   6.173  -3.258   1.843
  128   HG11  VAL  18          HG11      VAL  18   6.227  -0.287   2.361
  129   HG12  VAL  18          HG12      VAL  18   6.934  -1.539   3.383
  130   HG13  VAL  18          HG13      VAL  18   5.187  -1.464   3.163
  131   HG21  VAL  18          HG21      VAL  18   5.185  -1.020   0.085
  132   HG22  VAL  18          HG22      VAL  18   4.172  -2.137   1.006
  133   HG23  VAL  18          HG23      VAL  18   5.195  -2.744  -0.302
  134    HA   PRO  19           HA       PRO  19   7.911  -4.077  -2.996
  135    HB2  PRO  19           HB2      PRO  19   7.176  -6.680  -1.827
  136    HB3  PRO  19           HB3      PRO  19   8.534  -6.277  -2.894
  137    HG2  PRO  19           HG2      PRO  19   8.907  -6.878  -0.297
  138    HG3  PRO  19           HG3      PRO  19   9.915  -5.695  -1.152
  139    HD2  PRO  19           HD2      PRO  19   7.653  -5.210   0.760
  140    HD3  PRO  19           HD3      PRO  19   9.200  -4.349   0.576
  141    H    PHE  20           H        PHE  20   6.125  -4.747  -4.377
  142    HA   PHE  20           HA       PHE  20   3.651  -3.738  -3.562
  143    HB2  PHE  20           HB2      PHE  20   4.369  -4.011  -5.951
  144    HB3  PHE  20           HB3      PHE  20   4.050  -5.736  -5.797
  145    HD1  PHE  20           HD1      PHE  20   1.819  -6.593  -5.818
  146    HD2  PHE  20           HD2      PHE  20   2.531  -2.396  -5.823
  147    HE1  PHE  20           HE1      PHE  20  -0.545  -6.193  -6.380
  148    HE2  PHE  20           HE2      PHE  20   0.169  -1.990  -6.382
  149    HZ   PHE  20           HZ       PHE  20  -1.372  -3.892  -6.659
  150    H    ASP  21           H        ASP  21   4.820  -7.079  -3.617
  151    HA   ASP  21           HA       ASP  21   2.427  -8.360  -2.959
  152    HB2  ASP  21           HB2      ASP  21   3.877 -10.160  -1.985
  153    HB3  ASP  21           HB3      ASP  21   4.311  -9.696  -3.626
  154    H    GLN  22           H        GLN  22   4.929  -7.020  -0.820
  155    HA   GLN  22           HA       GLN  22   3.698  -7.578   1.632
  156    HB2  GLN  22           HB2      GLN  22   6.007  -6.821   1.483
  157    HB3  GLN  22           HB3      GLN  22   5.486  -5.269   0.833
  158    HG2  GLN  22           HG2      GLN  22   5.987  -4.871   3.078
  159    HG3  GLN  22           HG3      GLN  22   4.222  -4.945   2.999
  160   HE21  GLN  22          HE21      GLN  22   6.059  -5.365   5.249
  161   HE22  GLN  22          HE22      GLN  22   5.714  -6.954   5.845
  162    H    CYS  23           H        CYS  23   3.338  -4.860  -0.600
  163    HA   CYS  23           HA       CYS  23   1.646  -3.291   1.038
  164    HB2  CYS  23           HB2      CYS  23   2.782  -2.465  -1.073
  165    HB3  CYS  23           HB3      CYS  23   1.584  -3.377  -1.995
  166    H    TYR  24           H        TYR  24   0.920  -5.744  -1.430
  167    HA   TYR  24           HA       TYR  24  -1.881  -5.568  -1.192
  168    HB2  TYR  24           HB2      TYR  24  -0.739  -6.701  -3.089
  169    HB3  TYR  24           HB3      TYR  24  -0.243  -7.996  -1.987
  170    HD1  TYR  24           HD1      TYR  24  -3.142  -6.396  -3.617
  171    HD2  TYR  24           HD2      TYR  24  -1.763  -9.715  -1.348
  172    HE1  TYR  24           HE1      TYR  24  -5.257  -7.563  -4.047
  173    HE2  TYR  24           HE2      TYR  24  -3.873 -10.892  -1.773
  174    HH   TYR  24           HH       TYR  24  -6.099  -9.887  -4.119
  175    H    GLN  25           H        GLN  25   0.527  -7.321   0.678
  176    HA   GLN  25           HA       GLN  25  -1.278  -9.169   1.853
  177    HB2  GLN  25           HB2      GLN  25   1.425  -8.160   2.774
  178    HB3  GLN  25           HB3      GLN  25   0.516  -9.367   3.666
  179    HG2  GLN  25           HG2      GLN  25   0.581 -10.834   1.641
  180    HG3  GLN  25           HG3      GLN  25   1.627  -9.649   0.865
  181   HE21  GLN  25          HE21      GLN  25   2.136 -12.423   1.570
  182   HE22  GLN  25          HE22      GLN  25   3.526 -12.401   2.604
  183    H    MET  26           H        MET  26  -0.166  -5.966   2.835
  184    HA   MET  26           HA       MET  26  -1.776  -6.095   5.251
  185    HB2  MET  26           HB2      MET  26  -0.089  -3.880   4.091
  186    HB3  MET  26           HB3      MET  26  -0.928  -3.776   5.628
  187    HG2  MET  26           HG2      MET  26   0.443  -5.605   6.509
  188    HG3  MET  26           HG3      MET  26   1.272  -5.740   4.957
  189    HE1  MET  26           HE1      MET  26   2.763  -3.697   3.932
  190    HE2  MET  26           HE2      MET  26   3.073  -2.205   4.814
  191    HE3  MET  26           HE3      MET  26   1.453  -2.551   4.216
  192    H    CYS  27           H        CYS  27  -1.955  -4.657   2.055
  193    HA   CYS  27           HA       CYS  27  -4.099  -2.876   2.889
  194    HB2  CYS  27           HB2      CYS  27  -2.199  -2.401   1.099
  195    HB3  CYS  27           HB3      CYS  27  -3.358  -3.187   0.002
  196    H    SER  28           H        SER  28  -3.924  -6.063   1.681
  197    HA   SER  28           HA       SER  28  -6.182  -6.139   0.062
  198    HB2  SER  28           HB2      SER  28  -6.284  -8.622   0.822
  199    HB3  SER  28           HB3      SER  28  -4.887  -8.051  -0.101
  200    HG   SER  28           HG       SER  28  -3.644  -8.246   1.609
  201    HA   PRO  29           HA       PRO  29  -8.857  -7.151   4.096
  202    HB2  PRO  29           HB2      PRO  29  -7.298  -5.345   5.892
  203    HB3  PRO  29           HB3      PRO  29  -8.216  -6.812   6.293
  204    HG2  PRO  29           HG2      PRO  29  -5.575  -6.932   6.179
  205    HG3  PRO  29           HG3      PRO  29  -6.555  -8.239   5.460
  206    HD2  PRO  29           HD2      PRO  29  -5.118  -5.972   4.094
  207    HD3  PRO  29           HD3      PRO  29  -5.276  -7.676   3.597
  208    H    LEU  30           H        LEU  30  -7.343  -4.251   3.012
  209    HA   LEU  30           HA       LEU  30  -9.563  -2.542   3.807
  210    HB2  LEU  30           HB2      LEU  30  -7.018  -1.938   3.806
  211    HB3  LEU  30           HB3      LEU  30  -7.248  -1.720   2.062
  212    HG   LEU  30           HG       LEU  30  -8.569  -0.143   4.296
  213   HD11  LEU  30          HD11      LEU  30  -7.340   1.732   3.279
  214   HD12  LEU  30          HD12      LEU  30  -6.578   0.604   2.157
  215   HD13  LEU  30          HD13      LEU  30  -6.266   0.473   3.888
  216   HD21  LEU  30          HD21      LEU  30  -9.648   1.193   2.594
  217   HD22  LEU  30          HD22      LEU  30 -10.133  -0.494   2.403
  218   HD23  LEU  30          HD23      LEU  30  -8.934   0.208   1.317
  219    H    GLU  31           H        GLU  31  -7.824  -3.204   0.767
  220    HA   GLU  31           HA       GLU  31 -10.004  -2.082  -0.746
  221    HB2  GLU  31           HB2      GLU  31  -7.615  -1.712  -1.368
  222    HB3  GLU  31           HB3      GLU  31  -7.495  -3.430  -1.769
  223    HG2  GLU  31           HG2      GLU  31  -9.331  -3.076  -3.436
  224    HG3  GLU  31           HG3      GLU  31  -9.188  -1.342  -3.138
  225    H    ARG  32           H        ARG  32  -8.415  -5.289  -0.775
  226    HA   ARG  32           HA       ARG  32 -10.955  -6.431  -1.708
  227    HB2  ARG  32           HB2      ARG  32  -8.240  -6.892  -2.980
  228    HB3  ARG  32           HB3      ARG  32  -9.649  -7.903  -3.300
  229    HG2  ARG  32           HG2      ARG  32  -9.616  -4.917  -3.810
  230    HG3  ARG  32           HG3      ARG  32  -9.122  -6.092  -5.024
  231    HD2  ARG  32           HD2      ARG  32 -11.450  -5.326  -5.301
  232    HD3  ARG  32           HD3      ARG  32 -11.344  -7.062  -5.047
  233    HE   ARG  32           HE       ARG  32 -11.893  -5.375  -2.720
  234   HH11  ARG  32          HH11      ARG  32 -13.110  -7.557  -5.177
  235   HH12  ARG  32          HH12      ARG  32 -14.569  -7.923  -4.315
  236   HH21  ARG  32          HH21      ARG  32 -13.801  -5.882  -1.572
  237   HH22  ARG  32          HH22      ARG  32 -14.958  -6.972  -2.265
  238    H    SER  33           H        SER  33 -11.405  -7.522   0.130
  239    HA   SER  33           HA       SER  33  -9.346  -9.224   1.317
  240    HB2  SER  33           HB2      SER  33 -11.304  -9.604   3.021
  241    HB3  SER  33           HB3      SER  33 -10.459  -8.053   3.021
  242    HG   SER  33           HG       SER  33 -12.806  -7.924   3.035
  Start of MODEL   44
    1    HA   ALA   1           HA       ALA   1 -14.698  -0.692   1.899
    2    HB1  ALA   1           HB1      ALA   1 -16.699   1.114   0.544
    3    HB2  ALA   1           HB2      ALA   1 -16.599  -0.636   0.355
    4    HB3  ALA   1           HB3      ALA   1 -15.278   0.389  -0.208
    5    H    SER   2           H        SER   2 -13.210   0.923   0.833
    6    HA   SER   2           HA       SER   2 -13.209   3.599   1.958
    7    HB2  SER   2           HB2      SER   2 -12.259   1.979   3.752
    8    HB3  SER   2           HB3      SER   2 -10.875   1.809   2.673
    9    HG   SER   2           HG       SER   2 -10.466   3.436   4.157
   10    HA   PRO   3           HA       PRO   3 -11.303   2.640  -2.308
   11    HB2  PRO   3           HB2      PRO   3 -12.814   5.162  -2.825
   12    HB3  PRO   3           HB3      PRO   3 -12.634   3.721  -3.850
   13    HG2  PRO   3           HG2      PRO   3 -14.899   4.134  -2.557
   14    HG3  PRO   3           HG3      PRO   3 -14.193   2.504  -2.622
   15    HD2  PRO   3           HD2      PRO   3 -14.167   4.472  -0.333
   16    HD3  PRO   3           HD3      PRO   3 -14.380   2.694  -0.312
   17    H    GLN   4           H        GLN   4 -11.704   5.821  -0.750
   18    HA   GLN   4           HA       GLN   4  -9.537   7.033  -2.094
   19    HB2  GLN   4           HB2      GLN   4 -11.353   8.346  -1.128
   20    HB3  GLN   4           HB3      GLN   4 -10.928   7.790   0.482
   21    HG2  GLN   4           HG2      GLN   4  -8.712   8.910   0.202
   22    HG3  GLN   4           HG3      GLN   4  -9.313   9.604  -1.304
   23   HE21  GLN   4          HE21      GLN   4 -12.039   9.879  -0.219
   24   HE22  GLN   4          HE22      GLN   4 -11.977  11.233   0.858
   25    H    GLN   5           H        GLN   5  -9.848   5.651   1.159
   26    HA   GLN   5           HA       GLN   5  -7.175   6.236   1.904
   27    HB2  GLN   5           HB2      GLN   5  -9.212   4.328   3.023
   28    HB3  GLN   5           HB3      GLN   5  -7.589   4.454   3.685
   29    HG2  GLN   5           HG2      GLN   5  -9.263   6.918   3.394
   30    HG3  GLN   5           HG3      GLN   5  -9.540   5.820   4.745
   31   HE21  GLN   5          HE21      GLN   5  -6.341   6.249   3.414
   32   HE22  GLN   5          HE22      GLN   5  -5.694   7.135   4.751
   33    H    ALA   6           H        ALA   6  -8.697   3.538   0.304
   34    HA   ALA   6           HA       ALA   6  -6.576   1.706   0.382
   35    HB1  ALA   6           HB1      ALA   6  -8.760   1.034  -0.400
   36    HB2  ALA   6           HB2      ALA   6  -7.569   0.757  -1.675
   37    HB3  ALA   6           HB3      ALA   6  -8.646   2.146  -1.764
   38    H    LYS   7           H        LYS   7  -7.271   4.381  -1.814
   39    HA   LYS   7           HA       LYS   7  -5.167   3.866  -3.631
   40    HB2  LYS   7           HB2      LYS   7  -7.075   5.328  -4.177
   41    HB3  LYS   7           HB3      LYS   7  -6.542   6.482  -2.966
   42    HG2  LYS   7           HG2      LYS   7  -5.969   7.175  -5.244
   43    HG3  LYS   7           HG3      LYS   7  -4.533   6.954  -4.215
   44    HD2  LYS   7           HD2      LYS   7  -4.086   4.794  -5.236
   45    HD3  LYS   7           HD3      LYS   7  -5.584   4.881  -6.171
   46    HE2  LYS   7           HE2      LYS   7  -3.593   5.451  -7.531
   47    HE3  LYS   7           HE3      LYS   7  -4.730   6.793  -7.409
   48    HZ1  LYS   7           HZ1      LYS   7  -2.605   7.692  -7.091
   49    HZ2  LYS   7           HZ2      LYS   7  -2.132   6.477  -6.014
   50    HZ3  LYS   7           HZ3      LYS   7  -3.283   7.629  -5.543
   51    H    TYR   8           H        TYR   8  -5.391   5.811  -0.701
   52    HA   TYR   8           HA       TYR   8  -2.789   6.896  -0.787
   53    HB2  TYR   8           HB2      TYR   8  -4.649   7.713   0.685
   54    HB3  TYR   8           HB3      TYR   8  -4.446   6.259   1.664
   55    HD1  TYR   8           HD1      TYR   8  -2.851   9.413   0.629
   56    HD2  TYR   8           HD2      TYR   8  -2.696   6.079   3.264
   57    HE1  TYR   8           HE1      TYR   8  -1.154  10.570   1.983
   58    HE2  TYR   8           HE2      TYR   8  -0.998   7.221   4.623
   59    HH   TYR   8           HH       TYR   8   0.729   9.012   4.281
   60    H    CYS   9           H        CYS   9  -4.106   3.922   0.563
   61    HA   CYS   9           HA       CYS   9  -1.823   3.061   1.961
   62    HB2  CYS   9           HB2      CYS   9  -4.186   2.108   2.123
   63    HB3  CYS   9           HB3      CYS   9  -3.837   1.218   0.636
   64    H    TYR  10           H        TYR  10  -2.941   2.246  -1.328
   65    HA   TYR  10           HA       TYR  10  -0.675   0.628  -1.914
   66    HB2  TYR  10           HB2      TYR  10  -2.840   1.856  -3.625
   67    HB3  TYR  10           HB3      TYR  10  -1.487   0.974  -4.337
   68    HD1  TYR  10           HD1      TYR  10  -4.717   0.694  -2.803
   69    HD2  TYR  10           HD2      TYR  10  -1.105  -1.408  -3.598
   70    HE1  TYR  10           HE1      TYR  10  -5.884  -1.438  -2.463
   71    HE2  TYR  10           HE2      TYR  10  -2.259  -3.538  -3.262
   72    HH   TYR  10           HH       TYR  10  -5.603  -3.830  -3.159
   73    H    GLU  11           H        GLU  11  -1.257   4.031  -2.099
   74    HA   GLU  11           HA       GLU  11   0.821   4.557  -3.990
   75    HB2  GLU  11           HB2      GLU  11  -1.250   6.030  -3.371
   76    HB3  GLU  11           HB3      GLU  11  -0.206   6.600  -2.049
   77    HG2  GLU  11           HG2      GLU  11  -0.141   8.067  -4.020
   78    HG3  GLU  11           HG3      GLU  11   1.446   7.366  -3.623
   79    H    GLN  12           H        GLN  12   0.499   5.143  -0.483
   80    HA   GLN  12           HA       GLN  12   3.205   6.064  -0.350
   81    HB2  GLN  12           HB2      GLN  12   1.256   5.510   1.894
   82    HB3  GLN  12           HB3      GLN  12   2.779   6.361   2.045
   83    HG2  GLN  12           HG2      GLN  12   0.711   7.322   0.133
   84    HG3  GLN  12           HG3      GLN  12   0.584   7.685   1.844
   85   HE21  GLN  12          HE21      GLN  12   3.675   7.431   0.272
   86   HE22  GLN  12          HE22      GLN  12   4.049   9.121   0.292
   87    H    CYS  13           H        CYS  13   1.755   2.965  -0.070
   88    HA   CYS  13           HA       CYS  13   3.388   1.793   1.878
   89    HB2  CYS  13           HB2      CYS  13   2.766  -0.367   0.891
   90    HB3  CYS  13           HB3      CYS  13   1.356   0.698   0.943
   91    H    ASN  14           H        ASN  14   3.821   1.656  -1.675
   92    HA   ASN  14           HA       ASN  14   6.474   0.623  -1.361
   93    HB2  ASN  14           HB2      ASN  14   6.590   0.945  -3.887
   94    HB3  ASN  14           HB3      ASN  14   5.368  -0.159  -3.279
   95   HD21  ASN  14          HD21      ASN  14   5.318   3.412  -3.526
   96   HD22  ASN  14          HD22      ASN  14   3.920   3.462  -4.544
   97    H    VAL  15           H        VAL  15   5.149   3.825  -1.707
   98    HA   VAL  15           HA       VAL  15   7.541   5.117  -2.513
   99    HB   VAL  15           HB       VAL  15   5.196   6.223  -0.949
  100   HG11  VAL  15          HG11      VAL  15   7.214   7.553  -0.550
  101   HG12  VAL  15          HG12      VAL  15   6.055   8.442  -1.539
  102   HG13  VAL  15          HG13      VAL  15   7.465   7.701  -2.290
  103   HG21  VAL  15          HG21      VAL  15   4.551   7.250  -3.074
  104   HG22  VAL  15          HG22      VAL  15   4.616   5.493  -3.215
  105   HG23  VAL  15          HG23      VAL  15   5.922   6.481  -3.869
  106    H    ASN  16           H        ASN  16   6.157   4.282   0.625
  107    HA   ASN  16           HA       ASN  16   8.195   5.602   2.150
  108    HB2  ASN  16           HB2      ASN  16   5.896   5.002   3.019
  109    HB3  ASN  16           HB3      ASN  16   6.419   3.306   3.061
  110   HD21  ASN  16          HD21      ASN  16   5.546   5.014   5.282
  111   HD22  ASN  16          HD22      ASN  16   6.878   5.050   6.386
  112    H    LYS  17           H        LYS  17   7.508   2.108   2.192
  113    HA   LYS  17           HA       LYS  17   9.728   1.235   0.815
  114    HB2  LYS  17           HB2      LYS  17  11.046   2.255   2.651
  115    HB3  LYS  17           HB3      LYS  17  10.228   1.182   3.796
  116    HG2  LYS  17           HG2      LYS  17  11.197  -0.767   2.731
  117    HG3  LYS  17           HG3      LYS  17  11.938   0.248   1.488
  118    HD2  LYS  17           HD2      LYS  17  13.327   1.351   3.119
  119    HD3  LYS  17           HD3      LYS  17  12.533   0.492   4.457
  120    HE2  LYS  17           HE2      LYS  17  14.679  -0.531   3.945
  121    HE3  LYS  17           HE3      LYS  17  13.374  -1.640   3.522
  122    HZ1  LYS  17           HZ1      LYS  17  15.164  -1.486   1.840
  123    HZ2  LYS  17           HZ2      LYS  17  14.743   0.129   1.571
  124    HZ3  LYS  17           HZ3      LYS  17  13.635  -1.101   1.230
  125    H    VAL  18           H        VAL  18   7.889  -0.177   0.202
  126    HA   VAL  18           HA       VAL  18   8.082  -2.611   1.784
  127    HB   VAL  18           HB       VAL  18   5.848  -3.038   2.189
  128   HG11  VAL  18          HG11      VAL  18   5.894  -0.027   2.330
  129   HG12  VAL  18          HG12      VAL  18   6.442  -1.150   3.575
  130   HG13  VAL  18          HG13      VAL  18   4.737  -1.084   3.138
  131   HG21  VAL  18          HG21      VAL  18   5.028  -1.031   0.100
  132   HG22  VAL  18          HG22      VAL  18   3.957  -2.101   1.010
  133   HG23  VAL  18          HG23      VAL  18   5.132  -2.778  -0.120
  134    HA   PRO  19           HA       PRO  19   8.125  -4.350  -2.363
  135    HB2  PRO  19           HB2      PRO  19   7.089  -6.800  -1.097
  136    HB3  PRO  19           HB3      PRO  19   8.596  -6.558  -1.997
  137    HG2  PRO  19           HG2      PRO  19   8.579  -6.930   0.670
  138    HG3  PRO  19           HG3      PRO  19   9.764  -5.891  -0.141
  139    HD2  PRO  19           HD2      PRO  19   7.328  -5.107   1.417
  140    HD3  PRO  19           HD3      PRO  19   8.928  -4.333   1.328
  141    H    PHE  20           H        PHE  20   6.549  -4.965  -3.947
  142    HA   PHE  20           HA       PHE  20   4.002  -3.895  -3.622
  143    HB2  PHE  20           HB2      PHE  20   5.058  -4.375  -5.828
  144    HB3  PHE  20           HB3      PHE  20   4.763  -6.089  -5.570
  145    HD1  PHE  20           HD1      PHE  20   3.220  -2.846  -6.259
  146    HD2  PHE  20           HD2      PHE  20   2.557  -7.024  -5.794
  147    HE1  PHE  20           HE1      PHE  20   0.986  -2.598  -7.258
  148    HE2  PHE  20           HE2      PHE  20   0.321  -6.785  -6.796
  149    HZ   PHE  20           HZ       PHE  20  -0.467  -4.570  -7.528
  150    H    ASP  21           H        ASP  21   5.072  -7.250  -3.226
  151    HA   ASP  21           HA       ASP  21   2.542  -8.395  -2.852
  152    HB2  ASP  21           HB2      ASP  21   3.709 -10.277  -1.787
  153    HB3  ASP  21           HB3      ASP  21   4.506  -9.786  -3.277
  154    H    GLN  22           H        GLN  22   4.770  -6.890  -0.539
  155    HA   GLN  22           HA       GLN  22   3.235  -7.466   1.760
  156    HB2  GLN  22           HB2      GLN  22   5.601  -6.694   1.855
  157    HB3  GLN  22           HB3      GLN  22   5.075  -5.098   1.331
  158    HG2  GLN  22           HG2      GLN  22   3.557  -5.087   3.357
  159    HG3  GLN  22           HG3      GLN  22   4.455  -6.509   3.904
  160   HE21  GLN  22          HE21      GLN  22   4.240  -3.907   5.146
  161   HE22  GLN  22          HE22      GLN  22   5.851  -3.282   5.268
  162    H    CYS  23           H        CYS  23   3.261  -4.770  -0.525
  163    HA   CYS  23           HA       CYS  23   1.373  -3.147   0.818
  164    HB2  CYS  23           HB2      CYS  23   2.812  -2.440  -1.175
  165    HB3  CYS  23           HB3      CYS  23   1.665  -3.310  -2.196
  166    H    TYR  24           H        TYR  24   0.999  -5.682  -1.616
  167    HA   TYR  24           HA       TYR  24  -1.823  -5.577  -1.750
  168    HB2  TYR  24           HB2      TYR  24  -0.268  -6.717  -3.401
  169    HB3  TYR  24           HB3      TYR  24  -0.095  -8.021  -2.214
  170    HD1  TYR  24           HD1      TYR  24  -1.894  -9.572  -1.805
  171    HD2  TYR  24           HD2      TYR  24  -2.370  -6.377  -4.567
  172    HE1  TYR  24           HE1      TYR  24  -3.915 -10.646  -2.690
  173    HE2  TYR  24           HE2      TYR  24  -4.393  -7.442  -5.460
  174    HH   TYR  24           HH       TYR  24  -5.960 -10.021  -3.899
  175    H    GLN  25           H        GLN  25   0.384  -7.014   0.518
  176    HA   GLN  25           HA       GLN  25  -1.450  -8.916   1.586
  177    HB2  GLN  25           HB2      GLN  25   1.012  -9.175   1.729
  178    HB3  GLN  25           HB3      GLN  25   1.084  -7.760   2.776
  179    HG2  GLN  25           HG2      GLN  25   1.210  -9.508   4.278
  180    HG3  GLN  25           HG3      GLN  25  -0.502  -9.106   4.315
  181   HE21  GLN  25          HE21      GLN  25  -1.019 -10.418   1.718
  182   HE22  GLN  25          HE22      GLN  25  -0.972 -12.113   2.042
  183    H    MET  26           H        MET  26  -0.519  -5.615   2.401
  184    HA   MET  26           HA       MET  26  -2.271  -5.657   4.729
  185    HB2  MET  26           HB2      MET  26  -0.509  -3.466   3.633
  186    HB3  MET  26           HB3      MET  26  -1.437  -3.348   5.118
  187    HG2  MET  26           HG2      MET  26  -0.116  -5.198   6.071
  188    HG3  MET  26           HG3      MET  26   0.833  -5.276   4.586
  189    HE1  MET  26           HE1      MET  26   2.487  -1.651   4.669
  190    HE2  MET  26           HE2      MET  26   0.939  -2.071   3.941
  191    HE3  MET  26           HE3      MET  26   2.333  -3.130   3.725
  192    H    CYS  27           H        CYS  27  -2.036  -3.875   1.637
  193    HA   CYS  27           HA       CYS  27  -4.323  -2.274   2.328
  194    HB2  CYS  27           HB2      CYS  27  -2.922  -2.480  -0.355
  195    HB3  CYS  27           HB3      CYS  27  -4.027  -1.199   0.177
  196    H    SER  28           H        SER  28  -3.905  -5.249   0.512
  197    HA   SER  28           HA       SER  28  -6.292  -4.965  -0.988
  198    HB2  SER  28           HB2      SER  28  -4.467  -6.549  -1.634
  199    HB3  SER  28           HB3      SER  28  -5.005  -7.611  -0.322
  200    HG   SER  28           HG       SER  28  -6.552  -6.739  -2.543
  201    HA   PRO  29           HA       PRO  29  -8.409  -7.601   2.608
  202    HB2  PRO  29           HB2      PRO  29  -6.617  -6.656   4.797
  203    HB3  PRO  29           HB3      PRO  29  -7.462  -8.209   4.625
  204    HG2  PRO  29           HG2      PRO  29  -4.861  -8.106   4.164
  205    HG3  PRO  29           HG3      PRO  29  -5.921  -9.025   3.062
  206    HD2  PRO  29           HD2      PRO  29  -4.723  -6.281   2.691
  207    HD3  PRO  29           HD3      PRO  29  -4.858  -7.621   1.525
  208    H    LEU  30           H        LEU  30  -7.082  -4.476   2.498
  209    HA   LEU  30           HA       LEU  30  -9.095  -3.232   4.187
  210    HB2  LEU  30           HB2      LEU  30  -6.649  -2.464   3.904
  211    HB3  LEU  30           HB3      LEU  30  -7.139  -1.890   2.303
  212    HG   LEU  30           HG       LEU  30  -8.128  -0.859   4.983
  213   HD11  LEU  30          HD11      LEU  30  -5.873  -0.146   4.413
  214   HD12  LEU  30          HD12      LEU  30  -6.999   1.206   4.268
  215   HD13  LEU  30          HD13      LEU  30  -6.422   0.378   2.819
  216   HD21  LEU  30          HD21      LEU  30  -9.363   0.820   3.733
  217   HD22  LEU  30          HD22      LEU  30  -9.923  -0.795   3.292
  218   HD23  LEU  30          HD23      LEU  30  -8.854   0.095   2.208
  219    H    GLU  31           H        GLU  31  -8.084  -3.153   0.813
  220    HA   GLU  31           HA       GLU  31 -10.305  -1.596  -0.061
  221    HB2  GLU  31           HB2      GLU  31  -8.097  -1.474  -1.140
  222    HB3  GLU  31           HB3      GLU  31  -8.254  -3.158  -1.648
  223    HG2  GLU  31           HG2      GLU  31 -10.247  -2.513  -2.982
  224    HG3  GLU  31           HG3      GLU  31  -9.925  -0.821  -2.579
  225    H    ARG  32           H        ARG  32  -9.500  -5.040  -0.300
  226    HA   ARG  32           HA       ARG  32 -12.128  -5.458  -1.577
  227    HB2  ARG  32           HB2      ARG  32  -9.550  -6.975  -2.094
  228    HB3  ARG  32           HB3      ARG  32 -11.119  -7.420  -2.760
  229    HG2  ARG  32           HG2      ARG  32  -9.752  -4.765  -3.299
  230    HG3  ARG  32           HG3      ARG  32  -9.573  -6.178  -4.334
  231    HD2  ARG  32           HD2      ARG  32 -11.209  -4.678  -5.264
  232    HD3  ARG  32           HD3      ARG  32 -12.014  -6.151  -4.746
  233    HE   ARG  32           HE       ARG  32 -12.106  -4.157  -2.716
  234   HH11  ARG  32          HH11      ARG  32 -13.534  -5.067  -5.779
  235   HH12  ARG  32          HH12      ARG  32 -15.029  -4.245  -5.472
  236   HH21  ARG  32          HH21      ARG  32 -14.078  -3.085  -2.305
  237   HH22  ARG  32          HH22      ARG  32 -15.337  -3.114  -3.499
  238    H    SER  33           H        SER  33 -13.034  -5.816   0.483
  239    HA   SER  33           HA       SER  33 -12.901  -8.633   1.159
  240    HB2  SER  33           HB2      SER  33 -12.448  -6.493   3.266
  241    HB3  SER  33           HB3      SER  33 -12.754  -8.195   3.609
  242    HG   SER  33           HG       SER  33 -10.765  -7.894   1.791
  Start of MODEL   45
    1    HA   ALA   1           HA       ALA   1 -16.477   2.704   0.711
    2    HB1  ALA   1           HB1      ALA   1 -18.416   4.661   1.938
    3    HB2  ALA   1           HB2      ALA   1 -18.845   3.119   1.198
    4    HB3  ALA   1           HB3      ALA   1 -18.144   4.402   0.214
    5    H    SER   2           H        SER   2 -14.445   3.452   0.420
    6    HA   SER   2           HA       SER   2 -13.916   6.236   0.489
    7    HB2  SER   2           HB2      SER   2 -13.801   5.683   2.979
    8    HB3  SER   2           HB3      SER   2 -12.409   4.668   2.605
    9    HG   SER   2           HG       SER   2 -12.507   7.381   1.819
   10    HA   PRO   3           HA       PRO   3 -11.352   3.448  -2.316
   11    HB2  PRO   3           HB2      PRO   3 -11.821   5.878  -3.989
   12    HB3  PRO   3           HB3      PRO   3 -11.839   4.161  -4.457
   13    HG2  PRO   3           HG2      PRO   3 -14.117   5.474  -4.191
   14    HG3  PRO   3           HG3      PRO   3 -13.962   3.817  -3.565
   15    HD2  PRO   3           HD2      PRO   3 -13.915   6.417  -2.033
   16    HD3  PRO   3           HD3      PRO   3 -14.675   4.851  -1.606
   17    H    GLN   4           H        GLN   4 -11.137   6.773  -1.253
   18    HA   GLN   4           HA       GLN   4  -8.547   7.267  -2.328
   19    HB2  GLN   4           HB2      GLN   4 -10.071   8.695  -0.150
   20    HB3  GLN   4           HB3      GLN   4  -8.522   9.235  -0.786
   21    HG2  GLN   4           HG2      GLN   4 -11.082   8.965  -2.367
   22    HG3  GLN   4           HG3      GLN   4 -10.360  10.473  -1.811
   23   HE21  GLN   4          HE21      GLN   4  -7.634   9.602  -2.398
   24   HE22  GLN   4          HE22      GLN   4  -7.478   9.663  -4.122
   25    H    GLN   5           H        GLN   5  -9.723   6.076   0.766
   26    HA   GLN   5           HA       GLN   5  -7.234   6.257   2.098
   27    HB2  GLN   5           HB2      GLN   5  -8.193   5.110   3.883
   28    HB3  GLN   5           HB3      GLN   5  -9.582   5.873   3.129
   29    HG2  GLN   5           HG2      GLN   5 -10.214   3.807   2.075
   30    HG3  GLN   5           HG3      GLN   5  -8.745   3.022   2.646
   31   HE21  GLN   5          HE21      GLN   5  -8.537   2.638   4.946
   32   HE22  GLN   5          HE22      GLN   5  -9.956   2.498   5.928
   33    H    ALA   6           H        ALA   6  -8.710   3.819   0.102
   34    HA   ALA   6           HA       ALA   6  -6.692   1.842   0.506
   35    HB1  ALA   6           HB1      ALA   6  -8.684   2.154  -1.738
   36    HB2  ALA   6           HB2      ALA   6  -8.888   1.183  -0.279
   37    HB3  ALA   6           HB3      ALA   6  -7.664   0.744  -1.472
   38    H    LYS   7           H        LYS   7  -7.281   4.332  -1.936
   39    HA   LYS   7           HA       LYS   7  -5.103   3.685  -3.608
   40    HB2  LYS   7           HB2      LYS   7  -6.964   5.138  -4.328
   41    HB3  LYS   7           HB3      LYS   7  -6.451   6.367  -3.184
   42    HG2  LYS   7           HG2      LYS   7  -5.753   6.943  -5.423
   43    HG3  LYS   7           HG3      LYS   7  -4.334   6.621  -4.393
   44    HD2  LYS   7           HD2      LYS   7  -4.170   4.353  -5.344
   45    HD3  LYS   7           HD3      LYS   7  -5.577   4.669  -6.364
   46    HE2  LYS   7           HE2      LYS   7  -3.478   4.939  -7.626
   47    HE3  LYS   7           HE3      LYS   7  -4.354   6.463  -7.500
   48    HZ1  LYS   7           HZ1      LYS   7  -2.020   5.651  -5.856
   49    HZ2  LYS   7           HZ2      LYS   7  -2.878   7.095  -5.673
   50    HZ3  LYS   7           HZ3      LYS   7  -2.019   6.800  -7.095
   51    H    TYR   8           H        TYR   8  -5.415   5.768  -0.786
   52    HA   TYR   8           HA       TYR   8  -2.834   6.892  -0.845
   53    HB2  TYR   8           HB2      TYR   8  -4.782   7.654   0.580
   54    HB3  TYR   8           HB3      TYR   8  -4.463   6.267   1.624
   55    HD1  TYR   8           HD1      TYR   8  -3.138   9.484   0.431
   56    HD2  TYR   8           HD2      TYR   8  -2.659   6.282   3.187
   57    HE1  TYR   8           HE1      TYR   8  -1.520  10.831   1.701
   58    HE2  TYR   8           HE2      TYR   8  -1.035   7.613   4.465
   59    HH   TYR   8           HH       TYR   8  -0.649  10.931   4.037
   60    H    CYS   9           H        CYS   9  -4.114   3.922   0.540
   61    HA   CYS   9           HA       CYS   9  -1.801   3.142   1.958
   62    HB2  CYS   9           HB2      CYS   9  -4.125   2.183   2.263
   63    HB3  CYS   9           HB3      CYS   9  -3.882   1.277   0.763
   64    H    TYR  10           H        TYR  10  -2.997   2.189  -1.272
   65    HA   TYR  10           HA       TYR  10  -0.745   0.568  -1.880
   66    HB2  TYR  10           HB2      TYR  10  -2.900   1.817  -3.591
   67    HB3  TYR  10           HB3      TYR  10  -1.569   0.896  -4.295
   68    HD1  TYR  10           HD1      TYR  10  -1.272  -1.507  -3.587
   69    HD2  TYR  10           HD2      TYR  10  -4.792   0.722  -2.718
   70    HE1  TYR  10           HE1      TYR  10  -2.508  -3.601  -3.255
   71    HE2  TYR  10           HE2      TYR  10  -6.034  -1.364  -2.381
   72    HH   TYR  10           HH       TYR  10  -5.894  -3.723  -3.066
   73    H    GLU  11           H        GLU  11  -1.303   3.976  -2.079
   74    HA   GLU  11           HA       GLU  11   0.803   4.507  -3.939
   75    HB2  GLU  11           HB2      GLU  11  -1.150   6.057  -3.486
   76    HB3  GLU  11           HB3      GLU  11  -0.380   6.421  -1.927
   77    HG2  GLU  11           HG2      GLU  11   0.096   8.130  -3.606
   78    HG3  GLU  11           HG3      GLU  11   1.569   7.300  -3.047
   79    H    GLN  12           H        GLN  12   0.462   5.122  -0.444
   80    HA   GLN  12           HA       GLN  12   3.171   5.977  -0.272
   81    HB2  GLN  12           HB2      GLN  12   1.103   5.457   1.861
   82    HB3  GLN  12           HB3      GLN  12   2.676   6.170   2.168
   83    HG2  GLN  12           HG2      GLN  12   0.899   7.388   0.120
   84    HG3  GLN  12           HG3      GLN  12   0.576   7.664   1.825
   85   HE21  GLN  12          HE21      GLN  12   3.812   7.219   0.641
   86   HE22  GLN  12          HE22      GLN  12   4.323   8.857   0.858
   87    H    CYS  13           H        CYS  13   1.687   2.890  -0.016
   88    HA   CYS  13           HA       CYS  13   3.272   1.685   1.941
   89    HB2  CYS  13           HB2      CYS  13   2.683  -0.463   0.899
   90    HB3  CYS  13           HB3      CYS  13   1.271   0.598   0.955
   91    H    ASN  14           H        ASN  14   3.817   1.528  -1.604
   92    HA   ASN  14           HA       ASN  14   6.470   0.538  -1.186
   93    HB2  ASN  14           HB2      ASN  14   6.716   0.851  -3.682
   94    HB3  ASN  14           HB3      ASN  14   5.424  -0.216  -3.166
   95   HD21  ASN  14          HD21      ASN  14   5.380   3.346  -3.269
   96   HD22  ASN  14          HD22      ASN  14   4.105   3.440  -4.437
   97    H    VAL  15           H        VAL  15   5.111   3.711  -1.527
   98    HA   VAL  15           HA       VAL  15   7.487   5.065  -2.262
   99    HB   VAL  15           HB       VAL  15   5.053   6.085  -0.786
  100   HG11  VAL  15          HG11      VAL  15   6.984   7.478  -0.240
  101   HG12  VAL  15          HG12      VAL  15   5.873   8.345  -1.299
  102   HG13  VAL  15          HG13      VAL  15   7.357   7.655  -1.955
  103   HG21  VAL  15          HG21      VAL  15   5.931   6.401  -3.661
  104   HG22  VAL  15          HG22      VAL  15   4.502   7.136  -2.935
  105   HG23  VAL  15          HG23      VAL  15   4.610   5.382  -3.087
  106    H    ASN  16           H        ASN  16   6.051   4.225   0.879
  107    HA   ASN  16           HA       ASN  16   8.073   5.497   2.428
  108    HB2  ASN  16           HB2      ASN  16   6.234   3.173   3.119
  109    HB3  ASN  16           HB3      ASN  16   7.295   3.984   4.275
  110   HD21  ASN  16          HD21      ASN  16   6.848   6.619   3.118
  111   HD22  ASN  16          HD22      ASN  16   5.255   7.087   3.608
  112    H    LYS  17           H        LYS  17   7.570   1.986   2.373
  113    HA   LYS  17           HA       LYS  17   9.607   1.268   0.686
  114    HB2  LYS  17           HB2      LYS  17  10.616   1.854   3.365
  115    HB3  LYS  17           HB3      LYS  17  10.993   0.211   2.822
  116    HG2  LYS  17           HG2      LYS  17  12.000   1.141   0.771
  117    HG3  LYS  17           HG3      LYS  17  11.654   2.775   1.354
  118    HD2  LYS  17           HD2      LYS  17  13.052   2.235   3.396
  119    HD3  LYS  17           HD3      LYS  17  13.495   0.717   2.586
  120    HE2  LYS  17           HE2      LYS  17  15.225   2.363   2.208
  121    HE3  LYS  17           HE3      LYS  17  14.393   2.018   0.693
  122    HZ1  LYS  17           HZ1      LYS  17  13.109   4.043   0.979
  123    HZ2  LYS  17           HZ2      LYS  17  14.761   4.384   0.975
  124    HZ3  LYS  17           HZ3      LYS  17  13.907   4.374   2.432
  125    H    VAL  18           H        VAL  18   7.785  -0.160   0.205
  126    HA   VAL  18           HA       VAL  18   8.174  -2.648   1.680
  127    HB   VAL  18           HB       VAL  18   5.947  -3.182   2.082
  128   HG11  VAL  18          HG11      VAL  18   6.616  -1.380   3.581
  129   HG12  VAL  18          HG12      VAL  18   4.881  -1.354   3.264
  130   HG13  VAL  18          HG13      VAL  18   5.941  -0.192   2.464
  131   HG21  VAL  18          HG21      VAL  18   4.009  -2.103   1.064
  132   HG22  VAL  18          HG22      VAL  18   5.117  -2.760  -0.146
  133   HG23  VAL  18          HG23      VAL  18   5.082  -1.023   0.169
  134    HA   PRO  19           HA       PRO  19   8.159  -4.297  -2.503
  135    HB2  PRO  19           HB2      PRO  19   7.181  -6.777  -1.224
  136    HB3  PRO  19           HB3      PRO  19   8.640  -6.520  -2.198
  137    HG2  PRO  19           HG2      PRO  19   8.788  -6.911   0.452
  138    HG3  PRO  19           HG3      PRO  19   9.890  -5.814  -0.400
  139    HD2  PRO  19           HD2      PRO  19   7.498  -5.149   1.280
  140    HD3  PRO  19           HD3      PRO  19   9.069  -4.323   1.153
  141    H    PHE  20           H        PHE  20   6.543  -4.978  -4.060
  142    HA   PHE  20           HA       PHE  20   4.008  -3.873  -3.621
  143    HB2  PHE  20           HB2      PHE  20   5.037  -4.296  -5.879
  144    HB3  PHE  20           HB3      PHE  20   4.637  -5.999  -5.684
  145    HD1  PHE  20           HD1      PHE  20   2.363  -6.777  -5.857
  146    HD2  PHE  20           HD2      PHE  20   3.294  -2.636  -6.196
  147    HE1  PHE  20           HE1      PHE  20   0.114  -6.345  -6.760
  148    HE2  PHE  20           HE2      PHE  20   1.046  -2.201  -7.099
  149    HZ   PHE  20           HZ       PHE  20  -0.546  -4.057  -7.379
  150    H    ASP  21           H        ASP  21   5.085  -7.243  -3.416
  151    HA   ASP  21           HA       ASP  21   2.589  -8.416  -2.976
  152    HB2  ASP  21           HB2      ASP  21   3.891 -10.231  -1.795
  153    HB3  ASP  21           HB3      ASP  21   4.396  -9.879  -3.444
  154    H    GLN  22           H        GLN  22   4.848  -6.933  -0.687
  155    HA   GLN  22           HA       GLN  22   3.373  -7.505   1.650
  156    HB2  GLN  22           HB2      GLN  22   5.672  -6.797   1.819
  157    HB3  GLN  22           HB3      GLN  22   5.299  -5.261   1.038
  158    HG2  GLN  22           HG2      GLN  22   5.536  -4.937   3.406
  159    HG3  GLN  22           HG3      GLN  22   3.854  -4.668   2.929
  160   HE21  GLN  22          HE21      GLN  22   3.073  -5.039   4.986
  161   HE22  GLN  22          HE22      GLN  22   3.028  -6.626   5.690
  162    H    CYS  23           H        CYS  23   3.302  -4.801  -0.628
  163    HA   CYS  23           HA       CYS  23   1.441  -3.208   0.776
  164    HB2  CYS  23           HB2      CYS  23   2.797  -2.476  -1.262
  165    HB3  CYS  23           HB3      CYS  23   1.633  -3.366  -2.246
  166    H    TYR  24           H        TYR  24   1.048  -5.794  -1.570
  167    HA   TYR  24           HA       TYR  24  -1.770  -5.741  -1.710
  168    HB2  TYR  24           HB2      TYR  24  -0.218  -6.902  -3.317
  169    HB3  TYR  24           HB3      TYR  24   0.042  -8.143  -2.080
  170    HD1  TYR  24           HD1      TYR  24  -1.705  -9.728  -1.533
  171    HD2  TYR  24           HD2      TYR  24  -2.305  -6.757  -4.509
  172    HE1  TYR  24           HE1      TYR  24  -3.668 -10.950  -2.344
  173    HE2  TYR  24           HE2      TYR  24  -4.275  -7.969  -5.327
  174    HH   TYR  24           HH       TYR  24  -5.134 -10.310  -5.309
  175    H    GLN  25           H        GLN  25   0.413  -7.015   0.694
  176    HA   GLN  25           HA       GLN  25  -1.570  -8.813   1.781
  177    HB2  GLN  25           HB2      GLN  25   1.160  -7.989   2.777
  178    HB3  GLN  25           HB3      GLN  25   0.093  -9.056   3.684
  179    HG2  GLN  25           HG2      GLN  25   1.395  -9.577   1.009
  180    HG3  GLN  25           HG3      GLN  25   1.588 -10.474   2.513
  181   HE21  GLN  25          HE21      GLN  25  -0.073 -11.858   3.191
  182   HE22  GLN  25          HE22      GLN  25  -1.273 -12.438   2.084
  183    H    MET  26           H        MET  26  -0.490  -5.559   2.329
  184    HA   MET  26           HA       MET  26  -1.995  -5.381   4.806
  185    HB2  MET  26           HB2      MET  26   0.112  -4.290   4.874
  186    HB3  MET  26           HB3      MET  26  -0.173  -3.498   3.335
  187    HG2  MET  26           HG2      MET  26  -1.901  -2.102   4.368
  188    HG3  MET  26           HG3      MET  26  -1.608  -2.895   5.917
  189    HE1  MET  26           HE1      MET  26   1.317  -2.051   3.374
  190    HE2  MET  26           HE2      MET  26   1.636  -0.371   3.792
  191    HE3  MET  26           HE3      MET  26   0.105  -0.816   3.038
  192    H    CYS  27           H        CYS  27  -2.035  -3.804   1.593
  193    HA   CYS  27           HA       CYS  27  -4.310  -2.209   2.391
  194    HB2  CYS  27           HB2      CYS  27  -2.995  -2.356  -0.338
  195    HB3  CYS  27           HB3      CYS  27  -4.063  -1.080   0.276
  196    H    SER  28           H        SER  28  -3.839  -5.119   0.475
  197    HA   SER  28           HA       SER  28  -6.251  -4.890  -0.961
  198    HB2  SER  28           HB2      SER  28  -4.709  -7.419  -0.389
  199    HB3  SER  28           HB3      SER  28  -5.933  -7.185  -1.648
  200    HG   SER  28           HG       SER  28  -4.415  -5.299  -2.209
  201    HA   PRO  29           HA       PRO  29  -8.224  -7.769   2.510
  202    HB2  PRO  29           HB2      PRO  29  -6.507  -6.771   4.740
  203    HB3  PRO  29           HB3      PRO  29  -7.277  -8.359   4.534
  204    HG2  PRO  29           HG2      PRO  29  -4.678  -8.118   4.099
  205    HG3  PRO  29           HG3      PRO  29  -5.681  -9.081   2.982
  206    HD2  PRO  29           HD2      PRO  29  -4.593  -6.295   2.632
  207    HD3  PRO  29           HD3      PRO  29  -4.705  -7.622   1.451
  208    H    LEU  30           H        LEU  30  -6.876  -4.589   2.832
  209    HA   LEU  30           HA       LEU  30  -8.926  -3.435   4.460
  210    HB2  LEU  30           HB2      LEU  30  -6.540  -2.568   4.039
  211    HB3  LEU  30           HB3      LEU  30  -7.138  -2.023   2.465
  212    HG   LEU  30           HG       LEU  30  -7.956  -0.997   5.202
  213   HD11  LEU  30          HD11      LEU  30  -5.817  -0.173   4.396
  214   HD12  LEU  30          HD12      LEU  30  -7.026   1.110   4.325
  215   HD13  LEU  30          HD13      LEU  30  -6.544   0.272   2.850
  216   HD21  LEU  30          HD21      LEU  30  -9.402   0.595   4.057
  217   HD22  LEU  30          HD22      LEU  30  -9.922  -1.058   3.711
  218   HD23  LEU  30          HD23      LEU  30  -9.018  -0.145   2.501
  219    H    GLU  31           H        GLU  31  -8.115  -3.175   1.036
  220    HA   GLU  31           HA       GLU  31 -10.421  -1.708   0.314
  221    HB2  GLU  31           HB2      GLU  31  -8.209  -1.772  -0.911
  222    HB3  GLU  31           HB3      GLU  31  -8.666  -3.372  -1.507
  223    HG2  GLU  31           HG2      GLU  31 -10.329  -0.908  -2.029
  224    HG3  GLU  31           HG3      GLU  31  -9.014  -1.427  -3.090
  225    H    ARG  32           H        ARG  32  -9.587  -5.143  -0.093
  226    HA   ARG  32           HA       ARG  32 -12.420  -5.634  -0.721
  227    HB2  ARG  32           HB2      ARG  32 -10.941  -5.701  -2.761
  228    HB3  ARG  32           HB3      ARG  32 -10.059  -7.035  -2.011
  229    HG2  ARG  32           HG2      ARG  32 -11.632  -7.895  -3.652
  230    HG3  ARG  32           HG3      ARG  32 -12.103  -8.402  -2.030
  231    HD2  ARG  32           HD2      ARG  32 -13.825  -7.393  -3.814
  232    HD3  ARG  32           HD3      ARG  32 -14.034  -7.220  -2.077
  233    HE   ARG  32           HE       ARG  32 -12.517  -5.075  -3.249
  234   HH11  ARG  32          HH11      ARG  32 -15.753  -6.277  -2.662
  235   HH12  ARG  32          HH12      ARG  32 -16.477  -4.700  -2.662
  236   HH21  ARG  32          HH21      ARG  32 -13.457  -2.992  -3.232
  237   HH22  ARG  32          HH22      ARG  32 -15.176  -2.832  -2.981
  238    H    SER  33           H        SER  33 -13.094  -6.529   1.133
  239    HA   SER  33           HA       SER  33 -11.498  -8.709   2.300
  240    HB2  SER  33           HB2      SER  33 -13.915  -7.374   3.556
  241    HB3  SER  33           HB3      SER  33 -12.705  -8.378   4.349
  242    HG   SER  33           HG       SER  33 -11.159  -6.699   3.759
  Start of MODEL   46
    1    HA   ALA   1           HA       ALA   1 -17.039   2.387  -0.164
    2    HB1  ALA   1           HB1      ALA   1 -18.650   2.210   1.666
    3    HB2  ALA   1           HB2      ALA   1 -18.516   3.872   1.089
    4    HB3  ALA   1           HB3      ALA   1 -17.730   3.394   2.593
    5    H    SER   2           H        SER   2 -14.448   2.792  -0.253
    6    HA   SER   2           HA       SER   2 -14.091   5.575  -0.550
    7    HB2  SER   2           HB2      SER   2 -14.006   5.381   2.005
    8    HB3  SER   2           HB3      SER   2 -12.523   4.452   1.791
    9    HG   SER   2           HG       SER   2 -12.953   7.150   1.571
   10    HA   PRO   3           HA       PRO   3 -11.200   2.681  -2.872
   11    HB2  PRO   3           HB2      PRO   3 -11.808   4.841  -4.847
   12    HB3  PRO   3           HB3      PRO   3 -11.635   3.090  -5.105
   13    HG2  PRO   3           HG2      PRO   3 -14.042   4.168  -5.091
   14    HG3  PRO   3           HG3      PRO   3 -13.751   2.633  -4.243
   15    HD2  PRO   3           HD2      PRO   3 -14.025   5.400  -3.070
   16    HD3  PRO   3           HD3      PRO   3 -14.668   3.839  -2.471
   17    H    GLN   4           H        GLN   4 -11.387   6.131  -2.318
   18    HA   GLN   4           HA       GLN   4  -8.819   6.842  -3.186
   19    HB2  GLN   4           HB2      GLN   4 -10.498   8.537  -2.834
   20    HB3  GLN   4           HB3      GLN   4 -10.639   8.105  -1.134
   21    HG2  GLN   4           HG2      GLN   4  -9.345  10.021  -1.046
   22    HG3  GLN   4           HG3      GLN   4  -8.129   8.746  -1.017
   23   HE21  GLN   4          HE21      GLN   4  -8.562   8.240  -3.950
   24   HE22  GLN   4          HE22      GLN   4  -7.730   9.531  -4.738
   25    H    GLN   5           H        GLN   5 -10.008   5.850   0.010
   26    HA   GLN   5           HA       GLN   5  -7.543   6.327   1.311
   27    HB2  GLN   5           HB2      GLN   5  -8.451   5.348   3.236
   28    HB3  GLN   5           HB3      GLN   5  -9.820   6.075   2.419
   29    HG2  GLN   5           HG2      GLN   5 -10.452   3.881   1.533
   30    HG3  GLN   5           HG3      GLN   5  -9.078   3.165   2.367
   31   HE21  GLN   5          HE21      GLN   5 -10.986   5.741   3.762
   32   HE22  GLN   5          HE22      GLN   5 -11.732   4.774   4.991
   33    H    ALA   6           H        ALA   6  -8.866   3.549  -0.337
   34    HA   ALA   6           HA       ALA   6  -6.827   1.709   0.344
   35    HB1  ALA   6           HB1      ALA   6  -7.524   0.445  -1.639
   36    HB2  ALA   6           HB2      ALA   6  -8.500   1.813  -2.168
   37    HB3  ALA   6           HB3      ALA   6  -8.915   0.957  -0.684
   38    H    LYS   7           H        LYS   7  -7.156   4.097  -2.218
   39    HA   LYS   7           HA       LYS   7  -4.779   3.445  -3.594
   40    HB2  LYS   7           HB2      LYS   7  -6.522   4.825  -4.613
   41    HB3  LYS   7           HB3      LYS   7  -6.253   6.079  -3.412
   42    HG2  LYS   7           HG2      LYS   7  -5.227   6.674  -5.518
   43    HG3  LYS   7           HG3      LYS   7  -3.993   6.430  -4.256
   44    HD2  LYS   7           HD2      LYS   7  -3.539   4.182  -5.136
   45    HD3  LYS   7           HD3      LYS   7  -4.782   4.398  -6.374
   46    HE2  LYS   7           HE2      LYS   7  -2.253   6.033  -6.084
   47    HE3  LYS   7           HE3      LYS   7  -2.542   4.791  -7.301
   48    HZ1  LYS   7           HZ1      LYS   7  -4.331   6.126  -8.203
   49    HZ2  LYS   7           HZ2      LYS   7  -2.893   7.016  -8.180
   50    HZ3  LYS   7           HZ3      LYS   7  -4.089   7.314  -7.021
   51    H    TYR   8           H        TYR   8  -5.457   5.504  -0.827
   52    HA   TYR   8           HA       TYR   8  -2.942   6.758  -0.634
   53    HB2  TYR   8           HB2      TYR   8  -4.973   7.459   0.632
   54    HB3  TYR   8           HB3      TYR   8  -4.810   6.013   1.630
   55    HD1  TYR   8           HD1      TYR   8  -3.253   5.932   3.435
   56    HD2  TYR   8           HD2      TYR   8  -3.260   9.237   0.762
   57    HE1  TYR   8           HE1      TYR   8  -1.780   7.166   4.967
   58    HE2  TYR   8           HE2      TYR   8  -1.786  10.481   2.284
   59    HH   TYR   8           HH       TYR   8  -0.151   9.019   4.869
   60    H    CYS   9           H        CYS   9  -4.190   3.739   0.719
   61    HA   CYS   9           HA       CYS   9  -1.925   3.015   2.216
   62    HB2  CYS   9           HB2      CYS   9  -4.176   1.928   2.387
   63    HB3  CYS   9           HB3      CYS   9  -3.882   1.142   0.830
   64    H    TYR  10           H        TYR  10  -2.839   2.280  -1.125
   65    HA   TYR  10           HA       TYR  10  -0.498   0.741  -1.668
   66    HB2  TYR  10           HB2      TYR  10  -2.694   1.888  -3.386
   67    HB3  TYR  10           HB3      TYR  10  -1.271   1.131  -4.108
   68    HD1  TYR  10           HD1      TYR  10  -0.749  -1.244  -3.512
   69    HD2  TYR  10           HD2      TYR  10  -4.486   0.557  -2.579
   70    HE1  TYR  10           HE1      TYR  10  -1.749  -3.459  -3.289
   71    HE2  TYR  10           HE2      TYR  10  -5.502  -1.666  -2.349
   72    HH   TYR  10           HH       TYR  10  -3.638  -4.521  -2.181
   73    H    GLU  11           H        GLU  11  -1.274   4.152  -1.963
   74    HA   GLU  11           HA       GLU  11   0.913   4.729  -3.689
   75    HB2  GLU  11           HB2      GLU  11  -1.088   6.222  -3.450
   76    HB3  GLU  11           HB3      GLU  11  -0.513   6.661  -1.826
   77    HG2  GLU  11           HG2      GLU  11   1.597   7.483  -2.890
   78    HG3  GLU  11           HG3      GLU  11   0.829   7.214  -4.471
   79    H    GLN  12           H        GLN  12   0.462   4.967  -0.152
   80    HA   GLN  12           HA       GLN  12   3.065   6.161   0.136
   81    HB2  GLN  12           HB2      GLN  12   1.127   5.232   2.267
   82    HB3  GLN  12           HB3      GLN  12   2.553   6.214   2.527
   83    HG2  GLN  12           HG2      GLN  12   0.466   7.133   0.623
   84    HG3  GLN  12           HG3      GLN  12   0.221   7.315   2.352
   85   HE21  GLN  12          HE21      GLN  12   3.413   7.505   1.018
   86   HE22  GLN  12          HE22      GLN  12   3.610   9.216   1.202
   87    H    CYS  13           H        CYS  13   1.869   2.946   0.094
   88    HA   CYS  13           HA       CYS  13   3.634   1.762   1.950
   89    HB2  CYS  13           HB2      CYS  13   3.036  -0.367   0.920
   90    HB3  CYS  13           HB3      CYS  13   1.588   0.642   1.016
   91    H    ASN  14           H        ASN  14   3.879   1.895  -1.619
   92    HA   ASN  14           HA       ASN  14   6.573   0.955  -1.566
   93    HB2  ASN  14           HB2      ASN  14   6.578   1.559  -4.015
   94    HB3  ASN  14           HB3      ASN  14   5.338   0.423  -3.515
   95   HD21  ASN  14          HD21      ASN  14   5.306   3.980  -3.214
   96   HD22  ASN  14          HD22      ASN  14   3.922   4.196  -4.231
   97    H    VAL  15           H        VAL  15   5.141   4.107  -1.390
   98    HA   VAL  15           HA       VAL  15   7.377   5.643  -2.129
   99    HB   VAL  15           HB       VAL  15   5.098   6.264  -0.246
  100   HG11  VAL  15          HG11      VAL  15   7.001   7.559   0.518
  101   HG12  VAL  15          HG12      VAL  15   5.868   8.621  -0.320
  102   HG13  VAL  15          HG13      VAL  15   7.340   8.088  -1.130
  103   HG21  VAL  15          HG21      VAL  15   4.410   7.785  -2.054
  104   HG22  VAL  15          HG22      VAL  15   4.509   6.114  -2.608
  105   HG23  VAL  15          HG23      VAL  15   5.789   7.255  -3.017
  106    H    ASN  16           H        ASN  16   6.372   4.321   1.032
  107    HA   ASN  16           HA       ASN  16   8.628   5.405   2.408
  108    HB2  ASN  16           HB2      ASN  16   6.883   3.026   3.143
  109    HB3  ASN  16           HB3      ASN  16   8.027   3.834   4.220
  110   HD21  ASN  16          HD21      ASN  16   7.352   6.495   3.241
  111   HD22  ASN  16          HD22      ASN  16   5.799   6.861   3.918
  112    H    LYS  17           H        LYS  17   7.971   1.937   2.183
  113    HA   LYS  17           HA       LYS  17   9.759   1.229   0.238
  114    HB2  LYS  17           HB2      LYS  17  11.632   0.220   1.541
  115    HB3  LYS  17           HB3      LYS  17  11.620   1.987   1.531
  116    HG2  LYS  17           HG2      LYS  17  10.682   2.002   3.785
  117    HG3  LYS  17           HG3      LYS  17  10.657   0.232   3.793
  118    HD2  LYS  17           HD2      LYS  17  13.058   0.132   3.574
  119    HD3  LYS  17           HD3      LYS  17  13.168   1.896   3.404
  120    HE2  LYS  17           HE2      LYS  17  12.218   0.381   5.846
  121    HE3  LYS  17           HE3      LYS  17  13.786   1.161   5.659
  122    HZ1  LYS  17           HZ1      LYS  17  11.141   2.505   5.720
  123    HZ2  LYS  17           HZ2      LYS  17  12.604   3.288   5.402
  124    HZ3  LYS  17           HZ3      LYS  17  12.339   2.573   6.908
  125    H    VAL  18           H        VAL  18   7.857  -0.145  -0.080
  126    HA   VAL  18           HA       VAL  18   8.285  -2.642   1.384
  127    HB   VAL  18           HB       VAL  18   6.101  -3.065   1.990
  128   HG11  VAL  18          HG11      VAL  18   6.870  -1.192   3.325
  129   HG12  VAL  18          HG12      VAL  18   5.122  -1.123   3.088
  130   HG13  VAL  18          HG13      VAL  18   6.182  -0.054   2.165
  131   HG21  VAL  18          HG21      VAL  18   5.105  -1.021   0.014
  132   HG22  VAL  18          HG22      VAL  18   4.113  -2.086   1.017
  133   HG23  VAL  18          HG23      VAL  18   5.162  -2.769  -0.231
  134    HA   PRO  19           HA       PRO  19   8.015  -4.348  -2.743
  135    HB2  PRO  19           HB2      PRO  19   7.153  -6.826  -1.403
  136    HB3  PRO  19           HB3      PRO  19   8.573  -6.544  -2.424
  137    HG2  PRO  19           HG2      PRO  19   8.808  -6.913   0.222
  138    HG3  PRO  19           HG3      PRO  19   9.866  -5.804  -0.671
  139    HD2  PRO  19           HD2      PRO  19   7.498  -5.165   1.060
  140    HD3  PRO  19           HD3      PRO  19   9.063  -4.327   0.905
  141    H    PHE  20           H        PHE  20   6.350  -5.066  -4.199
  142    HA   PHE  20           HA       PHE  20   3.817  -4.045  -3.751
  143    HB2  PHE  20           HB2      PHE  20   4.703  -4.602  -5.997
  144    HB3  PHE  20           HB3      PHE  20   4.504  -6.312  -5.638
  145    HD1  PHE  20           HD1      PHE  20   2.742  -3.157  -6.275
  146    HD2  PHE  20           HD2      PHE  20   2.363  -7.361  -5.735
  147    HE1  PHE  20           HE1      PHE  20   0.427  -3.051  -7.104
  148    HE2  PHE  20           HE2      PHE  20   0.048  -7.264  -6.568
  149    HZ   PHE  20           HZ       PHE  20  -0.923  -5.107  -7.251
  150    H    ASP  21           H        ASP  21   4.959  -7.357  -3.247
  151    HA   ASP  21           HA       ASP  21   2.515  -8.565  -2.685
  152    HB2  ASP  21           HB2      ASP  21   3.900 -10.183  -1.303
  153    HB3  ASP  21           HB3      ASP  21   4.379  -9.994  -2.987
  154    H    GLN  22           H        GLN  22   4.814  -7.048  -0.395
  155    HA   GLN  22           HA       GLN  22   3.224  -7.413   1.881
  156    HB2  GLN  22           HB2      GLN  22   5.566  -6.754   2.073
  157    HB3  GLN  22           HB3      GLN  22   5.220  -5.210   1.300
  158    HG2  GLN  22           HG2      GLN  22   3.668  -4.703   3.188
  159    HG3  GLN  22           HG3      GLN  22   4.251  -6.170   3.980
  160   HE21  GLN  22          HE21      GLN  22   6.978  -5.820   3.018
  161   HE22  GLN  22          HE22      GLN  22   7.658  -4.535   3.958
  162    H    CYS  23           H        CYS  23   3.330  -4.794  -0.499
  163    HA   CYS  23           HA       CYS  23   1.508  -3.087   0.827
  164    HB2  CYS  23           HB2      CYS  23   2.962  -2.440  -1.178
  165    HB3  CYS  23           HB3      CYS  23   1.770  -3.269  -2.183
  166    H    TYR  24           H        TYR  24   1.033  -5.650  -1.556
  167    HA   TYR  24           HA       TYR  24  -1.764  -5.359  -1.751
  168    HB2  TYR  24           HB2      TYR  24  -0.231  -6.700  -3.306
  169    HB3  TYR  24           HB3      TYR  24  -0.285  -7.977  -2.081
  170    HD1  TYR  24           HD1      TYR  24  -2.378  -9.174  -1.632
  171    HD2  TYR  24           HD2      TYR  24  -2.127  -6.232  -4.690
  172    HE1  TYR  24           HE1      TYR  24  -4.476 -10.006  -2.596
  173    HE2  TYR  24           HE2      TYR  24  -4.224  -7.055  -5.664
  174    HH   TYR  24           HH       TYR  24  -6.311  -9.162  -4.037
  175    H    GLN  25           H        GLN  25   0.292  -7.094   0.527
  176    HA   GLN  25           HA       GLN  25  -1.881  -8.677   1.546
  177    HB2  GLN  25           HB2      GLN  25   0.954  -8.236   2.476
  178    HB3  GLN  25           HB3      GLN  25  -0.193  -9.187   3.411
  179    HG2  GLN  25           HG2      GLN  25   0.666  -9.781   0.567
  180    HG3  GLN  25           HG3      GLN  25   1.212 -10.624   2.014
  181   HE21  GLN  25          HE21      GLN  25  -0.205 -11.995   3.096
  182   HE22  GLN  25          HE22      GLN  25  -1.661 -12.577   2.360
  183    H    MET  26           H        MET  26  -0.395  -5.630   2.411
  184    HA   MET  26           HA       MET  26  -1.781  -5.480   4.928
  185    HB2  MET  26           HB2      MET  26   0.326  -4.373   4.836
  186    HB3  MET  26           HB3      MET  26  -0.105  -3.536   3.356
  187    HG2  MET  26           HG2      MET  26  -1.752  -2.198   4.589
  188    HG3  MET  26           HG3      MET  26  -1.304  -3.032   6.077
  189    HE1  MET  26           HE1      MET  26   1.655  -0.352   3.741
  190    HE2  MET  26           HE2      MET  26   0.082  -0.855   3.118
  191    HE3  MET  26           HE3      MET  26   1.376  -2.037   3.312
  192    H    CYS  27           H        CYS  27  -2.156  -3.989   1.719
  193    HA   CYS  27           HA       CYS  27  -4.406  -2.430   2.672
  194    HB2  CYS  27           HB2      CYS  27  -3.408  -2.637  -0.181
  195    HB3  CYS  27           HB3      CYS  27  -4.384  -1.345   0.542
  196    H    SER  28           H        SER  28  -4.083  -5.565   1.358
  197    HA   SER  28           HA       SER  28  -6.327  -5.673  -0.297
  198    HB2  SER  28           HB2      SER  28  -6.309  -8.192   0.289
  199    HB3  SER  28           HB3      SER  28  -4.924  -7.496  -0.561
  200    HG   SER  28           HG       SER  28  -3.706  -7.768   1.155
  201    HA   PRO  29           HA       PRO  29  -8.964  -7.206   3.564
  202    HB2  PRO  29           HB2      PRO  29  -7.568  -5.544   5.611
  203    HB3  PRO  29           HB3      PRO  29  -8.361  -7.123   5.792
  204    HG2  PRO  29           HG2      PRO  29  -5.716  -6.999   5.729
  205    HG3  PRO  29           HG3      PRO  29  -6.572  -8.284   4.837
  206    HD2  PRO  29           HD2      PRO  29  -5.326  -5.752   3.786
  207    HD3  PRO  29           HD3      PRO  29  -5.318  -7.392   3.089
  208    H    LEU  30           H        LEU  30  -7.509  -4.096   3.112
  209    HA   LEU  30           HA       LEU  30  -9.770  -2.555   3.995
  210    HB2  LEU  30           HB2      LEU  30  -7.305  -1.845   4.019
  211    HB3  LEU  30           HB3      LEU  30  -7.458  -1.645   2.265
  212    HG   LEU  30           HG       LEU  30  -9.002  -0.083   4.366
  213   HD11  LEU  30          HD11      LEU  30  -7.598   1.803   3.552
  214   HD12  LEU  30          HD12      LEU  30  -6.656   0.645   2.609
  215   HD13  LEU  30          HD13      LEU  30  -6.674   0.540   4.370
  216   HD21  LEU  30          HD21      LEU  30  -9.795   1.286   2.545
  217   HD22  LEU  30          HD22      LEU  30 -10.219  -0.395   2.214
  218   HD23  LEU  30          HD23      LEU  30  -8.859   0.355   1.377
  219    H    GLU  31           H        GLU  31  -8.195  -3.121   0.871
  220    HA   GLU  31           HA       GLU  31 -10.155  -1.780  -0.654
  221    HB2  GLU  31           HB2      GLU  31  -7.828  -2.167  -1.431
  222    HB3  GLU  31           HB3      GLU  31  -8.182  -3.895  -1.566
  223    HG2  GLU  31           HG2      GLU  31  -9.924  -3.351  -3.250
  224    HG3  GLU  31           HG3      GLU  31  -9.419  -1.658  -3.176
  225    H    ARG  32           H        ARG  32  -9.703  -5.209   0.088
  226    HA   ARG  32           HA       ARG  32 -12.516  -5.667  -0.424
  227    HB2  ARG  32           HB2      ARG  32 -11.528  -6.032  -2.660
  228    HB3  ARG  32           HB3      ARG  32 -10.371  -7.168  -1.962
  229    HG2  ARG  32           HG2      ARG  32 -11.898  -8.667  -2.767
  230    HG3  ARG  32           HG3      ARG  32 -12.574  -8.405  -1.162
  231    HD2  ARG  32           HD2      ARG  32 -13.519  -7.282  -3.796
  232    HD3  ARG  32           HD3      ARG  32 -14.384  -8.315  -2.668
  233    HE   ARG  32           HE       ARG  32 -13.653  -5.579  -1.887
  234   HH11  ARG  32          HH11      ARG  32 -16.072  -8.040  -2.481
  235   HH12  ARG  32          HH12      ARG  32 -17.382  -7.075  -1.888
  236   HH21  ARG  32          HH21      ARG  32 -15.393  -4.302  -1.110
  237   HH22  ARG  32          HH22      ARG  32 -17.000  -4.954  -1.119
  238    H    SER  33           H        SER  33  -9.945  -8.049  -0.452
  239    HA   SER  33           HA       SER  33  -9.823  -8.688   2.262
  240    HB2  SER  33           HB2      SER  33 -12.298  -9.230   1.781
  241    HB3  SER  33           HB3      SER  33 -11.699 -10.572   0.807
  242    HG   SER  33           HG       SER  33 -11.795 -11.555   2.678
  Start of MODEL   47
    1    HA   ALA   1           HA       ALA   1 -16.405   1.946  -0.106
    2    HB1  ALA   1           HB1      ALA   1 -17.350   4.783   0.292
    3    HB2  ALA   1           HB2      ALA   1 -18.045   3.616  -0.833
    4    HB3  ALA   1           HB3      ALA   1 -16.392   4.182  -1.062
    5    H    SER   2           H        SER   2 -14.245   2.610  -0.279
    6    HA   SER   2           HA       SER   2 -13.062   4.378   1.657
    7    HB2  SER   2           HB2      SER   2 -12.497   1.396   1.801
    8    HB3  SER   2           HB3      SER   2 -11.444   2.609   2.523
    9    HG   SER   2           HG       SER   2 -14.158   2.777   3.135
   10    HA   PRO   3           HA       PRO   3 -11.113   3.391  -2.575
   11    HB2  PRO   3           HB2      PRO   3 -11.509   5.810  -3.782
   12    HB3  PRO   3           HB3      PRO   3 -12.657   4.457  -3.895
   13    HG2  PRO   3           HG2      PRO   3 -12.735   6.896  -2.180
   14    HG3  PRO   3           HG3      PRO   3 -14.063   6.054  -3.001
   15    HD2  PRO   3           HD2      PRO   3 -13.526   5.805  -0.311
   16    HD3  PRO   3           HD3      PRO   3 -14.297   4.509  -1.268
   17    H    GLN   4           H        GLN   4 -10.954   6.546  -0.925
   18    HA   GLN   4           HA       GLN   4  -8.427   7.225  -1.991
   19    HB2  GLN   4           HB2      GLN   4  -9.913   8.279   0.411
   20    HB3  GLN   4           HB3      GLN   4  -8.365   8.923  -0.113
   21    HG2  GLN   4           HG2      GLN   4  -9.357   9.547  -2.277
   22    HG3  GLN   4           HG3      GLN   4 -10.911   8.911  -1.740
   23   HE21  GLN   4          HE21      GLN   4 -10.488   9.868   1.006
   24   HE22  GLN   4          HE22      GLN   4 -10.759  11.577   0.948
   25    H    GLN   5           H        GLN   5  -9.393   5.699   1.038
   26    HA   GLN   5           HA       GLN   5  -6.819   5.694   2.191
   27    HB2  GLN   5           HB2      GLN   5  -9.196   3.909   2.659
   28    HB3  GLN   5           HB3      GLN   5  -7.691   3.717   3.540
   29    HG2  GLN   5           HG2      GLN   5  -7.929   6.097   4.295
   30    HG3  GLN   5           HG3      GLN   5  -9.541   6.095   3.582
   31   HE21  GLN   5          HE21      GLN   5  -9.967   3.264   4.313
   32   HE22  GLN   5          HE22      GLN   5 -10.291   3.273   6.014
   33    H    ALA   6           H        ALA   6  -8.488   3.382   0.135
   34    HA   ALA   6           HA       ALA   6  -6.465   1.414   0.172
   35    HB1  ALA   6           HB1      ALA   6  -8.701   0.883  -0.600
   36    HB2  ALA   6           HB2      ALA   6  -7.520   0.553  -1.869
   37    HB3  ALA   6           HB3      ALA   6  -8.521   2.000  -1.954
   38    H    LYS   7           H        LYS   7  -7.113   4.131  -2.012
   39    HA   LYS   7           HA       LYS   7  -4.958   3.539  -3.762
   40    HB2  LYS   7           HB2      LYS   7  -6.906   4.978  -4.384
   41    HB3  LYS   7           HB3      LYS   7  -6.293   6.218  -3.302
   42    HG2  LYS   7           HG2      LYS   7  -5.712   6.732  -5.593
   43    HG3  LYS   7           HG3      LYS   7  -4.247   6.393  -4.635
   44    HD2  LYS   7           HD2      LYS   7  -4.186   4.108  -5.547
   45    HD3  LYS   7           HD3      LYS   7  -5.650   4.427  -6.483
   46    HE2  LYS   7           HE2      LYS   7  -3.003   5.853  -6.796
   47    HE3  LYS   7           HE3      LYS   7  -3.633   4.617  -7.882
   48    HZ1  LYS   7           HZ1      LYS   7  -4.909   7.250  -7.360
   49    HZ2  LYS   7           HZ2      LYS   7  -5.465   6.072  -8.434
   50    HZ3  LYS   7           HZ3      LYS   7  -3.998   6.858  -8.728
   51    H    TYR   8           H        TYR   8  -5.295   5.585  -0.904
   52    HA   TYR   8           HA       TYR   8  -2.764   6.807  -1.015
   53    HB2  TYR   8           HB2      TYR   8  -4.665   7.518   0.474
   54    HB3  TYR   8           HB3      TYR   8  -4.322   6.110   1.480
   55    HD1  TYR   8           HD1      TYR   8  -3.055   9.375   0.370
   56    HD2  TYR   8           HD2      TYR   8  -2.468   6.077   2.984
   57    HE1  TYR   8           HE1      TYR   8  -1.402  10.680   1.633
   58    HE2  TYR   8           HE2      TYR   8  -0.814   7.368   4.256
   59    HH   TYR   8           HH       TYR   8   0.686   9.270   3.929
   60    H    CYS   9           H        CYS   9  -3.878   3.795   0.488
   61    HA   CYS   9           HA       CYS   9  -1.455   3.102   1.720
   62    HB2  CYS   9           HB2      CYS   9  -3.429   1.853   2.306
   63    HB3  CYS   9           HB3      CYS   9  -3.661   1.322   0.632
   64    H    TYR  10           H        TYR  10  -2.726   2.075  -1.446
   65    HA   TYR  10           HA       TYR  10  -0.387   0.593  -2.078
   66    HB2  TYR  10           HB2      TYR  10  -2.743   1.520  -3.729
   67    HB3  TYR  10           HB3      TYR  10  -1.395   0.614  -4.430
   68    HD1  TYR  10           HD1      TYR  10  -4.462   0.386  -2.528
   69    HD2  TYR  10           HD2      TYR  10  -0.866  -1.651  -3.522
   70    HE1  TYR  10           HE1      TYR  10  -5.467  -1.729  -1.808
   71    HE2  TYR  10           HE2      TYR  10  -1.862  -3.762  -2.811
   72    HH   TYR  10           HH       TYR  10  -5.113  -4.217  -2.329
   73    H    GLU  11           H        GLU  11  -1.186   3.920  -2.374
   74    HA   GLU  11           HA       GLU  11   0.886   4.516  -4.265
   75    HB2  GLU  11           HB2      GLU  11  -1.064   5.978  -4.081
   76    HB3  GLU  11           HB3      GLU  11  -0.683   6.312  -2.381
   77    HG2  GLU  11           HG2      GLU  11   1.442   7.358  -3.127
   78    HG3  GLU  11           HG3      GLU  11   0.900   7.140  -4.809
   79    H    GLN  12           H        GLN  12   0.518   5.006  -0.726
   80    HA   GLN  12           HA       GLN  12   3.182   6.076  -0.576
   81    HB2  GLN  12           HB2      GLN  12   1.121   5.546   1.566
   82    HB3  GLN  12           HB3      GLN  12   2.648   6.371   1.829
   83    HG2  GLN  12           HG2      GLN  12   0.809   7.370  -0.279
   84    HG3  GLN  12           HG3      GLN  12   0.448   7.708   1.406
   85   HE21  GLN  12          HE21      GLN  12   3.717   7.419   0.277
   86   HE22  GLN  12          HE22      GLN  12   4.121   9.094   0.419
   87    H    CYS  13           H        CYS  13   1.811   2.950  -0.258
   88    HA   CYS  13           HA       CYS  13   3.299   1.840   1.812
   89    HB2  CYS  13           HB2      CYS  13   2.870  -0.353   0.765
   90    HB3  CYS  13           HB3      CYS  13   1.422   0.660   0.710
   91    H    ASN  14           H        ASN  14   4.140   1.804  -1.664
   92    HA   ASN  14           HA       ASN  14   6.760   0.773  -1.148
   93    HB2  ASN  14           HB2      ASN  14   5.678   0.429  -3.334
   94    HB3  ASN  14           HB3      ASN  14   5.727   2.161  -3.637
   95   HD21  ASN  14          HD21      ASN  14   7.769  -0.693  -3.165
   96   HD22  ASN  14          HD22      ASN  14   9.131  -0.050  -4.022
   97    H    VAL  15           H        VAL  15   5.414   3.977  -1.280
   98    HA   VAL  15           HA       VAL  15   7.839   5.378  -1.676
   99    HB   VAL  15           HB       VAL  15   5.261   6.303  -0.395
  100   HG11  VAL  15          HG11      VAL  15   7.665   7.903  -1.275
  101   HG12  VAL  15          HG12      VAL  15   7.087   7.699   0.378
  102   HG13  VAL  15          HG13      VAL  15   6.116   8.590  -0.794
  103   HG21  VAL  15          HG21      VAL  15   6.377   6.700  -3.176
  104   HG22  VAL  15          HG22      VAL  15   4.906   7.448  -2.556
  105   HG23  VAL  15          HG23      VAL  15   4.996   5.697  -2.740
  106    H    ASN  16           H        ASN  16   6.102   4.254   1.191
  107    HA   ASN  16           HA       ASN  16   7.953   5.376   3.059
  108    HB2  ASN  16           HB2      ASN  16   6.096   2.986   3.373
  109    HB3  ASN  16           HB3      ASN  16   6.935   3.818   4.686
  110   HD21  ASN  16          HD21      ASN  16   6.517   6.468   3.594
  111   HD22  ASN  16          HD22      ASN  16   4.838   6.828   3.828
  112    H    LYS  17           H        LYS  17   7.410   1.890   2.623
  113    HA   LYS  17           HA       LYS  17   9.672   1.298   1.148
  114    HB2  LYS  17           HB2      LYS  17  10.976   2.001   3.113
  115    HB3  LYS  17           HB3      LYS  17  10.115   0.810   4.100
  116    HG2  LYS  17           HG2      LYS  17  10.992  -0.969   2.575
  117    HG3  LYS  17           HG3      LYS  17  12.006   0.259   1.806
  118    HD2  LYS  17           HD2      LYS  17  13.348  -0.855   3.440
  119    HD3  LYS  17           HD3      LYS  17  12.968   0.744   4.114
  120    HE2  LYS  17           HE2      LYS  17  12.731  -0.991   5.810
  121    HE3  LYS  17           HE3      LYS  17  11.167  -0.263   5.446
  122    HZ1  LYS  17           HZ1      LYS  17  10.609  -2.167   4.097
  123    HZ2  LYS  17           HZ2      LYS  17  11.066  -2.689   5.639
  124    HZ3  LYS  17           HZ3      LYS  17  12.139  -2.844   4.343
  125    H    VAL  18           H        VAL  18   7.817  -0.003   0.314
  126    HA   VAL  18           HA       VAL  18   8.058  -2.671   1.396
  127    HB   VAL  18           HB       VAL  18   5.917  -3.152   2.033
  128   HG11  VAL  18          HG11      VAL  18   5.757  -0.172   2.468
  129   HG12  VAL  18          HG12      VAL  18   6.602  -1.317   3.508
  130   HG13  VAL  18          HG13      VAL  18   4.852  -1.423   3.326
  131   HG21  VAL  18          HG21      VAL  18   4.840  -0.994   0.238
  132   HG22  VAL  18          HG22      VAL  18   3.886  -2.166   1.153
  133   HG23  VAL  18          HG23      VAL  18   4.956  -2.712  -0.142
  134    HA   PRO  19           HA       PRO  19   7.602  -3.582  -3.009
  135    HB2  PRO  19           HB2      PRO  19   6.900  -6.289  -2.075
  136    HB3  PRO  19           HB3      PRO  19   8.231  -5.778  -3.128
  137    HG2  PRO  19           HG2      PRO  19   8.676  -6.609  -0.612
  138    HG3  PRO  19           HG3      PRO  19   9.643  -5.329  -1.371
  139    HD2  PRO  19           HD2      PRO  19   7.410  -5.075   0.621
  140    HD3  PRO  19           HD3      PRO  19   8.942  -4.175   0.499
  141    H    PHE  20           H        PHE  20   5.819  -4.099  -4.433
  142    HA   PHE  20           HA       PHE  20   3.326  -3.221  -3.528
  143    HB2  PHE  20           HB2      PHE  20   4.080  -3.249  -5.925
  144    HB3  PHE  20           HB3      PHE  20   3.762  -4.981  -5.948
  145    HD1  PHE  20           HD1      PHE  20   2.258  -1.652  -5.763
  146    HD2  PHE  20           HD2      PHE  20   1.513  -5.836  -5.976
  147    HE1  PHE  20           HE1      PHE  20  -0.094  -1.200  -6.315
  148    HE2  PHE  20           HE2      PHE  20  -0.841  -5.390  -6.535
  149    HZ   PHE  20           HZ       PHE  20  -1.648  -3.070  -6.704
  150    H    ASP  21           H        ASP  21   4.539  -6.533  -3.887
  151    HA   ASP  21           HA       ASP  21   2.145  -7.883  -3.352
  152    HB2  ASP  21           HB2      ASP  21   3.565  -9.773  -2.600
  153    HB3  ASP  21           HB3      ASP  21   4.088  -9.109  -4.144
  154    H    GLN  22           H        GLN  22   4.539  -6.476  -1.172
  155    HA   GLN  22           HA       GLN  22   3.243  -7.352   1.197
  156    HB2  GLN  22           HB2      GLN  22   5.621  -6.742   1.184
  157    HB3  GLN  22           HB3      GLN  22   5.195  -5.075   0.813
  158    HG2  GLN  22           HG2      GLN  22   4.042  -4.876   2.944
  159    HG3  GLN  22           HG3      GLN  22   4.415  -6.564   3.310
  160   HE21  GLN  22          HE21      GLN  22   5.530  -6.003   5.171
  161   HE22  GLN  22          HE22      GLN  22   7.106  -5.289   5.117
  162    H    CYS  23           H        CYS  23   3.034  -4.437  -0.819
  163    HA   CYS  23           HA       CYS  23   1.314  -2.920   0.772
  164    HB2  CYS  23           HB2      CYS  23   1.062  -3.218  -2.245
  165    HB3  CYS  23           HB3      CYS  23   0.474  -1.880  -1.271
  166    H    TYR  24           H        TYR  24   0.611  -5.534  -1.500
  167    HA   TYR  24           HA       TYR  24  -2.185  -5.525  -1.167
  168    HB2  TYR  24           HB2      TYR  24  -0.961  -6.663  -3.055
  169    HB3  TYR  24           HB3      TYR  24  -0.463  -7.913  -1.903
  170    HD1  TYR  24           HD1      TYR  24  -3.357  -6.398  -3.613
  171    HD2  TYR  24           HD2      TYR  24  -1.973  -9.622  -1.217
  172    HE1  TYR  24           HE1      TYR  24  -5.464  -7.590  -4.009
  173    HE2  TYR  24           HE2      TYR  24  -4.075 -10.824  -1.609
  174    HH   TYR  24           HH       TYR  24  -6.271  -9.969  -3.996
  175    H    GLN  25           H        GLN  25   0.390  -7.181   0.609
  176    HA   GLN  25           HA       GLN  25  -1.344  -9.035   1.884
  177    HB2  GLN  25           HB2      GLN  25   1.422  -8.059   2.611
  178    HB3  GLN  25           HB3      GLN  25   0.556  -9.245   3.579
  179    HG2  GLN  25           HG2      GLN  25   1.462  -9.564   0.707
  180    HG3  GLN  25           HG3      GLN  25   2.050 -10.428   2.123
  181   HE21  GLN  25          HE21      GLN  25  -0.489 -10.142  -0.201
  182   HE22  GLN  25          HE22      GLN  25  -1.315 -11.606   0.214
  183    H    MET  26           H        MET  26  -0.290  -5.795   2.682
  184    HA   MET  26           HA       MET  26  -1.452  -5.902   5.318
  185    HB2  MET  26           HB2      MET  26   0.527  -4.604   5.108
  186    HB3  MET  26           HB3      MET  26  -0.095  -3.765   3.697
  187    HG2  MET  26           HG2      MET  26  -1.736  -2.606   5.101
  188    HG3  MET  26           HG3      MET  26  -1.104  -3.445   6.520
  189    HE1  MET  26           HE1      MET  26   1.347  -2.267   3.645
  190    HE2  MET  26           HE2      MET  26   1.541  -0.564   4.051
  191    HE3  MET  26           HE3      MET  26  -0.021  -1.163   3.494
  192    H    CYS  27           H        CYS  27  -2.282  -4.410   2.201
  193    HA   CYS  27           HA       CYS  27  -4.671  -3.302   3.493
  194    HB2  CYS  27           HB2      CYS  27  -3.195  -2.436   1.001
  195    HB3  CYS  27           HB3      CYS  27  -4.802  -1.814   1.440
  196    H    SER  28           H        SER  28  -4.053  -6.044   1.847
  197    HA   SER  28           HA       SER  28  -6.138  -6.207   0.028
  198    HB2  SER  28           HB2      SER  28  -6.207  -8.709   0.762
  199    HB3  SER  28           HB3      SER  28  -4.769  -8.069  -0.043
  200    HG   SER  28           HG       SER  28  -3.703  -8.034   1.870
  201    HA   PRO  29           HA       PRO  29  -9.191  -7.315   3.695
  202    HB2  PRO  29           HB2      PRO  29  -7.830  -5.819   5.875
  203    HB3  PRO  29           HB3      PRO  29  -8.734  -7.344   5.949
  204    HG2  PRO  29           HG2      PRO  29  -6.089  -7.390   6.114
  205    HG3  PRO  29           HG3      PRO  29  -6.943  -8.603   5.125
  206    HD2  PRO  29           HD2      PRO  29  -5.503  -6.106   4.232
  207    HD3  PRO  29           HD3      PRO  29  -5.457  -7.746   3.534
  208    H    LEU  30           H        LEU  30  -7.521  -4.479   2.908
  209    HA   LEU  30           HA       LEU  30  -9.567  -2.642   3.872
  210    HB2  LEU  30           HB2      LEU  30  -6.993  -2.251   3.876
  211    HB3  LEU  30           HB3      LEU  30  -7.190  -1.951   2.142
  212    HG   LEU  30           HG       LEU  30  -8.420  -0.337   4.403
  213   HD11  LEU  30          HD11      LEU  30  -6.211   0.262   2.434
  214   HD12  LEU  30          HD12      LEU  30  -6.048   0.054   4.178
  215   HD13  LEU  30          HD13      LEU  30  -6.929   1.440   3.533
  216   HD21  LEU  30          HD21      LEU  30  -8.545   0.188   1.429
  217   HD22  LEU  30          HD22      LEU  30  -9.240   1.182   2.710
  218   HD23  LEU  30          HD23      LEU  30  -9.881  -0.433   2.399
  219    H    GLU  31           H        GLU  31  -7.970  -3.384   0.793
  220    HA   GLU  31           HA       GLU  31 -10.010  -2.002  -0.700
  221    HB2  GLU  31           HB2      GLU  31  -7.467  -2.121  -1.201
  222    HB3  GLU  31           HB3      GLU  31  -7.832  -3.707  -1.892
  223    HG2  GLU  31           HG2      GLU  31  -9.205  -1.182  -2.813
  224    HG3  GLU  31           HG3      GLU  31  -7.690  -1.764  -3.513
  225    H    ARG  32           H        ARG  32  -9.111  -5.370  -0.125
  226    HA   ARG  32           HA       ARG  32 -11.226  -6.234  -1.967
  227    HB2  ARG  32           HB2      ARG  32  -9.017  -7.798  -0.592
  228    HB3  ARG  32           HB3      ARG  32 -10.305  -8.568  -1.512
  229    HG2  ARG  32           HG2      ARG  32  -8.281  -6.599  -2.637
  230    HG3  ARG  32           HG3      ARG  32  -8.184  -8.351  -2.794
  231    HD2  ARG  32           HD2      ARG  32  -9.044  -7.558  -4.836
  232    HD3  ARG  32           HD3      ARG  32 -10.434  -8.222  -3.993
  233    HE   ARG  32           HE       ARG  32  -9.820  -5.328  -4.069
  234   HH11  ARG  32          HH11      ARG  32 -12.122  -7.974  -4.303
  235   HH12  ARG  32          HH12      ARG  32 -13.470  -6.924  -4.602
  236   HH21  ARG  32          HH21      ARG  32 -11.589  -3.967  -4.453
  237   HH22  ARG  32          HH22      ARG  32 -13.176  -4.653  -4.667
  238    H    SER  33           H        SER  33 -12.664  -7.996  -1.258
  239    HA   SER  33           HA       SER  33 -13.110  -8.138   1.620
  240    HB2  SER  33           HB2      SER  33 -15.623  -7.694   1.124
  241    HB3  SER  33           HB3      SER  33 -14.536  -6.305   1.189
  242    HG   SER  33           HG       SER  33 -15.338  -7.655  -1.185
  Start of MODEL   48
    1    HA   ALA   1           HA       ALA   1 -16.310   1.921  -0.369
    2    HB1  ALA   1           HB1      ALA   1 -17.307   2.598  -2.496
    3    HB2  ALA   1           HB2      ALA   1 -18.474   3.597  -1.633
    4    HB3  ALA   1           HB3      ALA   1 -18.500   1.845  -1.441
    5    H    SER   2           H        SER   2 -14.437   2.806  -1.011
    6    HA   SER   2           HA       SER   2 -14.110   5.559  -1.673
    7    HB2  SER   2           HB2      SER   2 -14.354   5.689   0.860
    8    HB3  SER   2           HB3      SER   2 -12.872   4.740   0.975
    9    HG   SER   2           HG       SER   2 -13.109   7.235  -0.365
   10    HA   PRO   3           HA       PRO   3 -10.927   2.551  -3.298
   11    HB2  PRO   3           HB2      PRO   3 -11.133   4.461  -5.568
   12    HB3  PRO   3           HB3      PRO   3 -11.098   2.682  -5.580
   13    HG2  PRO   3           HG2      PRO   3 -13.367   4.000  -6.033
   14    HG3  PRO   3           HG3      PRO   3 -13.348   2.501  -5.081
   15    HD2  PRO   3           HD2      PRO   3 -13.584   5.343  -4.108
   16    HD3  PRO   3           HD3      PRO   3 -14.391   3.859  -3.511
   17    H    GLN   4           H        GLN   4 -11.088   5.963  -2.799
   18    HA   GLN   4           HA       GLN   4  -8.394   6.579  -3.476
   19    HB2  GLN   4           HB2      GLN   4 -10.416   8.022  -1.763
   20    HB3  GLN   4           HB3      GLN   4  -8.805   8.651  -2.080
   21    HG2  GLN   4           HG2      GLN   4  -9.270   8.781  -4.456
   22    HG3  GLN   4           HG3      GLN   4 -10.839   8.016  -4.222
   23   HE21  GLN   4          HE21      GLN   4  -9.557  10.362  -1.994
   24   HE22  GLN   4          HE22      GLN   4 -10.661  11.635  -2.389
   25    H    GLN   5           H        GLN   5  -9.985   5.477  -0.568
   26    HA   GLN   5           HA       GLN   5  -7.848   5.920   1.228
   27    HB2  GLN   5           HB2      GLN   5 -10.069   3.871   1.289
   28    HB3  GLN   5           HB3      GLN   5  -8.912   4.077   2.591
   29    HG2  GLN   5           HG2      GLN   5  -9.687   6.386   2.908
   30    HG3  GLN   5           HG3      GLN   5 -10.865   6.162   1.617
   31   HE21  GLN   5          HE21      GLN   5 -10.040   3.660   3.919
   32   HE22  GLN   5          HE22      GLN   5 -11.561   3.654   4.745
   33    H    ALA   6           H        ALA   6  -8.709   3.194  -0.812
   34    HA   ALA   6           HA       ALA   6  -6.576   1.506  -0.027
   35    HB1  ALA   6           HB1      ALA   6  -8.581   0.669  -1.187
   36    HB2  ALA   6           HB2      ALA   6  -7.093   0.211  -2.017
   37    HB3  ALA   6           HB3      ALA   6  -8.081   1.528  -2.645
   38    H    LYS   7           H        LYS   7  -6.964   3.909  -2.571
   39    HA   LYS   7           HA       LYS   7  -4.502   3.467  -3.859
   40    HB2  LYS   7           HB2      LYS   7  -6.282   4.743  -4.925
   41    HB3  LYS   7           HB3      LYS   7  -6.184   5.978  -3.679
   42    HG2  LYS   7           HG2      LYS   7  -5.113   6.730  -5.708
   43    HG3  LYS   7           HG3      LYS   7  -3.916   6.538  -4.400
   44    HD2  LYS   7           HD2      LYS   7  -3.376   4.268  -5.350
   45    HD3  LYS   7           HD3      LYS   7  -4.416   4.652  -6.729
   46    HE2  LYS   7           HE2      LYS   7  -2.052   5.108  -7.242
   47    HE3  LYS   7           HE3      LYS   7  -3.009   6.590  -7.248
   48    HZ1  LYS   7           HZ1      LYS   7  -1.250   5.650  -5.052
   49    HZ2  LYS   7           HZ2      LYS   7  -2.216   7.037  -4.985
   50    HZ3  LYS   7           HZ3      LYS   7  -0.946   6.945  -6.097
   51    H    TYR   8           H        TYR   8  -5.403   5.458  -1.092
   52    HA   TYR   8           HA       TYR   8  -2.949   6.787  -0.745
   53    HB2  TYR   8           HB2      TYR   8  -4.995   7.454   0.455
   54    HB3  TYR   8           HB3      TYR   8  -4.962   5.937   1.355
   55    HD1  TYR   8           HD1      TYR   8  -3.598   5.674   3.279
   56    HD2  TYR   8           HD2      TYR   8  -3.192   9.141   0.851
   57    HE1  TYR   8           HE1      TYR   8  -2.192   6.708   5.007
   58    HE2  TYR   8           HE2      TYR   8  -1.787  10.190   2.576
   59    HH   TYR   8           HH       TYR   8  -0.419   8.468   5.120
   60    H    CYS   9           H        CYS   9  -4.127   3.676   0.439
   61    HA   CYS   9           HA       CYS   9  -1.921   3.074   2.096
   62    HB2  CYS   9           HB2      CYS   9  -4.117   1.902   2.216
   63    HB3  CYS   9           HB3      CYS   9  -3.767   1.122   0.668
   64    H    TYR  10           H        TYR  10  -2.667   2.136  -1.249
   65    HA   TYR  10           HA       TYR  10  -0.248   0.721  -1.661
   66    HB2  TYR  10           HB2      TYR  10  -2.322   1.861  -3.540
   67    HB3  TYR  10           HB3      TYR  10  -0.849   1.094  -4.143
   68    HD1  TYR  10           HD1      TYR  10  -4.160   0.544  -2.807
   69    HD2  TYR  10           HD2      TYR  10  -0.392  -1.285  -3.540
   70    HE1  TYR  10           HE1      TYR  10  -5.198  -1.671  -2.605
   71    HE2  TYR  10           HE2      TYR  10  -1.417  -3.495  -3.339
   72    HH   TYR  10           HH       TYR  10  -3.391  -4.521  -2.283
   73    H    GLU  11           H        GLU  11  -1.092   4.103  -1.936
   74    HA   GLU  11           HA       GLU  11   1.221   4.817  -3.411
   75    HB2  GLU  11           HB2      GLU  11  -0.750   6.293  -3.331
   76    HB3  GLU  11           HB3      GLU  11  -0.488   6.551  -1.595
   77    HG2  GLU  11           HG2      GLU  11   1.626   7.646  -2.052
   78    HG3  GLU  11           HG3      GLU  11   1.431   7.334  -3.791
   79    H    GLN  12           H        GLN  12   0.446   4.985   0.084
   80    HA   GLN  12           HA       GLN  12   2.970   6.151   0.687
   81    HB2  GLN  12           HB2      GLN  12   0.879   4.948   2.510
   82    HB3  GLN  12           HB3      GLN  12   2.306   5.802   3.055
   83    HG2  GLN  12           HG2      GLN  12   0.460   7.120   1.140
   84    HG3  GLN  12           HG3      GLN  12   0.041   7.029   2.842
   85   HE21  GLN  12          HE21      GLN  12   3.349   7.282   1.810
   86   HE22  GLN  12          HE22      GLN  12   3.597   8.916   2.334
   87    H    CYS  13           H        CYS  13   1.832   2.859   0.493
   88    HA   CYS  13           HA       CYS  13   3.801   1.685   2.146
   89    HB2  CYS  13           HB2      CYS  13   3.197  -0.423   1.105
   90    HB3  CYS  13           HB3      CYS  13   1.718   0.519   1.336
   91    H    ASN  14           H        ASN  14   3.694   2.133  -1.386
   92    HA   ASN  14           HA       ASN  14   6.403   1.274  -1.746
   93    HB2  ASN  14           HB2      ASN  14   4.731   1.117  -3.563
   94    HB3  ASN  14           HB3      ASN  14   4.641   2.872  -3.634
   95   HD21  ASN  14          HD21      ASN  14   7.626   1.032  -3.188
   96   HD22  ASN  14          HD22      ASN  14   8.313   1.476  -4.715
   97    H    VAL  15           H        VAL  15   4.889   4.383  -1.117
   98    HA   VAL  15           HA       VAL  15   7.088   6.011  -1.789
   99    HB   VAL  15           HB       VAL  15   4.847   6.447   0.190
  100   HG11  VAL  15          HG11      VAL  15   6.759   7.700   1.003
  101   HG12  VAL  15          HG12      VAL  15   5.587   8.810   0.288
  102   HG13  VAL  15          HG13      VAL  15   7.040   8.365  -0.606
  103   HG21  VAL  15          HG21      VAL  15   4.073   8.077  -1.469
  104   HG22  VAL  15          HG22      VAL  15   4.220   6.471  -2.180
  105   HG23  VAL  15          HG23      VAL  15   5.451   7.691  -2.499
  106    H    ASN  16           H        ASN  16   6.225   4.296   1.203
  107    HA   ASN  16           HA       ASN  16   8.489   5.366   2.624
  108    HB2  ASN  16           HB2      ASN  16   6.589   3.076   3.215
  109    HB3  ASN  16           HB3      ASN  16   7.979   3.441   4.234
  110   HD21  ASN  16          HD21      ASN  16   6.193   5.958   2.650
  111   HD22  ASN  16          HD22      ASN  16   5.457   6.597   4.079
  112    H    LYS  17           H        LYS  17   7.862   1.902   2.175
  113    HA   LYS  17           HA       LYS  17   9.656   1.339   0.195
  114    HB2  LYS  17           HB2      LYS  17  11.514   0.232   1.563
  115    HB3  LYS  17           HB3      LYS  17  11.562   1.988   1.372
  116    HG2  LYS  17           HG2      LYS  17  10.544   2.199   3.628
  117    HG3  LYS  17           HG3      LYS  17  10.660   0.441   3.808
  118    HD2  LYS  17           HD2      LYS  17  13.120   0.587   3.466
  119    HD3  LYS  17           HD3      LYS  17  12.963   2.347   3.302
  120    HE2  LYS  17           HE2      LYS  17  12.152   0.806   5.767
  121    HE3  LYS  17           HE3      LYS  17  13.714   1.596   5.561
  122    HZ1  LYS  17           HZ1      LYS  17  12.546   3.710   5.282
  123    HZ2  LYS  17           HZ2      LYS  17  12.211   3.007   6.782
  124    HZ3  LYS  17           HZ3      LYS  17  11.065   2.935   5.543
  125    H    VAL  18           H        VAL  18   7.790  -0.097  -0.176
  126    HA   VAL  18           HA       VAL  18   8.343  -2.669   1.091
  127    HB   VAL  18           HB       VAL  18   6.257  -3.177   1.896
  128   HG11  VAL  18          HG11      VAL  18   5.277  -1.354   3.140
  129   HG12  VAL  18          HG12      VAL  18   6.112  -0.174   2.131
  130   HG13  VAL  18          HG13      VAL  18   7.037  -1.246   3.180
  131   HG21  VAL  18          HG21      VAL  18   5.025  -1.183   0.005
  132   HG22  VAL  18          HG22      VAL  18   4.141  -2.243   1.111
  133   HG23  VAL  18          HG23      VAL  18   5.102  -2.935  -0.203
  134    HA   PRO  19           HA       PRO  19   7.732  -4.092  -3.132
  135    HB2  PRO  19           HB2      PRO  19   7.043  -6.689  -1.926
  136    HB3  PRO  19           HB3      PRO  19   8.378  -6.281  -3.019
  137    HG2  PRO  19           HG2      PRO  19   8.810  -6.852  -0.430
  138    HG3  PRO  19           HG3      PRO  19   9.775  -5.649  -1.307
  139    HD2  PRO  19           HD2      PRO  19   7.520  -5.206   0.628
  140    HD3  PRO  19           HD3      PRO  19   9.056  -4.326   0.440
  141    H    PHE  20           H        PHE  20   5.960  -4.809  -4.499
  142    HA   PHE  20           HA       PHE  20   3.492  -3.790  -3.725
  143    HB2  PHE  20           HB2      PHE  20   4.096  -4.086  -6.093
  144    HB3  PHE  20           HB3      PHE  20   3.974  -5.834  -5.907
  145    HD1  PHE  20           HD1      PHE  20   1.862  -6.938  -5.912
  146    HD2  PHE  20           HD2      PHE  20   2.069  -2.687  -5.907
  147    HE1  PHE  20           HE1      PHE  20  -0.547  -6.822  -6.402
  148    HE2  PHE  20           HE2      PHE  20  -0.338  -2.566  -6.399
  149    HZ   PHE  20           HZ       PHE  20  -1.648  -4.635  -6.646
  150    H    ASP  21           H        ASP  21   4.575  -7.169  -3.729
  151    HA   ASP  21           HA       ASP  21   2.129  -8.357  -3.093
  152    HB2  ASP  21           HB2      ASP  21   3.497 -10.245  -2.201
  153    HB3  ASP  21           HB3      ASP  21   3.980  -9.727  -3.814
  154    H    GLN  22           H        GLN  22   4.642  -7.052  -0.945
  155    HA   GLN  22           HA       GLN  22   3.283  -7.727   1.458
  156    HB2  GLN  22           HB2      GLN  22   5.666  -7.237   1.474
  157    HB3  GLN  22           HB3      GLN  22   5.358  -5.592   0.920
  158    HG2  GLN  22           HG2      GLN  22   5.813  -5.662   3.307
  159    HG3  GLN  22           HG3      GLN  22   4.171  -5.094   2.973
  160   HE21  GLN  22          HE21      GLN  22   5.095  -8.464   2.777
  161   HE22  GLN  22          HE22      GLN  22   4.175  -8.987   4.146
  162    H    CYS  23           H        CYS  23   3.291  -4.881  -0.640
  163    HA   CYS  23           HA       CYS  23   1.669  -3.249   0.998
  164    HB2  CYS  23           HB2      CYS  23   2.911  -2.469  -1.086
  165    HB3  CYS  23           HB3      CYS  23   1.629  -3.231  -2.031
  166    H    TYR  24           H        TYR  24   0.890  -5.610  -1.505
  167    HA   TYR  24           HA       TYR  24  -1.890  -5.351  -1.461
  168    HB2  TYR  24           HB2      TYR  24  -0.470  -6.721  -3.094
  169    HB3  TYR  24           HB3      TYR  24  -0.428  -7.975  -1.846
  170    HD1  TYR  24           HD1      TYR  24  -2.495  -9.150  -1.202
  171    HD2  TYR  24           HD2      TYR  24  -2.432  -6.333  -4.385
  172    HE1  TYR  24           HE1      TYR  24  -4.632 -10.034  -2.017
  173    HE2  TYR  24           HE2      TYR  24  -4.572  -7.207  -5.210
  174    HH   TYR  24           HH       TYR  24  -5.885  -9.287  -5.083
  175    H    GLN  25           H        GLN  25   0.308  -7.158   0.638
  176    HA   GLN  25           HA       GLN  25  -1.644  -8.729   1.920
  177    HB2  GLN  25           HB2      GLN  25   0.750  -9.264   2.081
  178    HB3  GLN  25           HB3      GLN  25   1.051  -7.747   2.923
  179    HG2  GLN  25           HG2      GLN  25  -0.388  -8.535   4.783
  180    HG3  GLN  25           HG3      GLN  25  -0.556 -10.081   3.955
  181   HE21  GLN  25          HE21      GLN  25   0.592  -9.412   6.568
  182   HE22  GLN  25          HE22      GLN  25   2.217 -10.019   6.539
  183    H    MET  26           H        MET  26  -0.353  -5.519   2.610
  184    HA   MET  26           HA       MET  26  -1.799  -5.322   5.091
  185    HB2  MET  26           HB2      MET  26   0.329  -4.249   5.024
  186    HB3  MET  26           HB3      MET  26  -0.069  -3.420   3.530
  187    HG2  MET  26           HG2      MET  26  -1.717  -2.051   4.728
  188    HG3  MET  26           HG3      MET  26  -1.299  -2.876   6.230
  189    HE1  MET  26           HE1      MET  26   1.719  -0.247   3.906
  190    HE2  MET  26           HE2      MET  26   0.136  -0.706   3.279
  191    HE3  MET  26           HE3      MET  26   1.401  -1.921   3.462
  192    H    CYS  27           H        CYS  27  -2.084  -3.920   1.844
  193    HA   CYS  27           HA       CYS  27  -4.250  -2.209   2.669
  194    HB2  CYS  27           HB2      CYS  27  -3.281  -2.775  -0.151
  195    HB3  CYS  27           HB3      CYS  27  -4.272  -1.406   0.391
  196    H    SER  28           H        SER  28  -4.086  -5.441   1.383
  197    HA   SER  28           HA       SER  28  -6.502  -5.452  -0.015
  198    HB2  SER  28           HB2      SER  28  -6.497  -7.961   0.382
  199    HB3  SER  28           HB3      SER  28  -5.087  -7.279  -0.437
  200    HG   SER  28           HG       SER  28  -3.871  -7.676   1.276
  201    HA   PRO  29           HA       PRO  29  -8.704  -6.989   4.123
  202    HB2  PRO  29           HB2      PRO  29  -7.059  -5.351   5.992
  203    HB3  PRO  29           HB3      PRO  29  -7.841  -6.920   6.261
  204    HG2  PRO  29           HG2      PRO  29  -5.222  -6.827   5.884
  205    HG3  PRO  29           HG3      PRO  29  -6.191  -8.095   5.086
  206    HD2  PRO  29           HD2      PRO  29  -5.061  -5.557   3.927
  207    HD3  PRO  29           HD3      PRO  29  -5.134  -7.191   3.219
  208    H    LEU  30           H        LEU  30  -7.374  -3.896   3.381
  209    HA   LEU  30           HA       LEU  30  -9.499  -2.343   4.561
  210    HB2  LEU  30           HB2      LEU  30  -7.058  -1.610   4.127
  211    HB3  LEU  30           HB3      LEU  30  -7.542  -1.457   2.430
  212    HG   LEU  30           HG       LEU  30  -8.625   0.151   4.768
  213   HD11  LEU  30          HD11      LEU  30  -7.518   2.023   3.615
  214   HD12  LEU  30          HD12      LEU  30  -6.863   0.890   2.431
  215   HD13  LEU  30          HD13      LEU  30  -6.371   0.781   4.121
  216   HD21  LEU  30          HD21      LEU  30 -10.361  -0.240   3.052
  217   HD22  LEU  30          HD22      LEU  30  -9.273   0.412   1.825
  218   HD23  LEU  30          HD23      LEU  30  -9.858   1.452   3.125
  219    H    GLU  31           H        GLU  31  -8.390  -2.997   1.274
  220    HA   GLU  31           HA       GLU  31 -10.631  -1.796   0.026
  221    HB2  GLU  31           HB2      GLU  31  -8.367  -2.010  -1.000
  222    HB3  GLU  31           HB3      GLU  31  -8.640  -3.750  -1.153
  223    HG2  GLU  31           HG2      GLU  31 -10.552  -1.823  -2.430
  224    HG3  GLU  31           HG3      GLU  31  -9.005  -2.192  -3.203
  225    H    ARG  32           H        ARG  32  -9.916  -5.094   0.997
  226    HA   ARG  32           HA       ARG  32 -12.633  -5.845   0.203
  227    HB2  ARG  32           HB2      ARG  32 -11.016  -6.500  -1.629
  228    HB3  ARG  32           HB3      ARG  32 -10.185  -7.519  -0.452
  229    HG2  ARG  32           HG2      ARG  32 -11.609  -8.922  -1.793
  230    HG3  ARG  32           HG3      ARG  32 -12.281  -8.832  -0.164
  231    HD2  ARG  32           HD2      ARG  32 -13.807  -8.586  -2.294
  232    HD3  ARG  32           HD3      ARG  32 -14.124  -7.644  -0.842
  233    HE   ARG  32           HE       ARG  32 -12.399  -6.167  -2.481
  234   HH11  ARG  32          HH11      ARG  32 -15.683  -7.386  -2.585
  235   HH12  ARG  32          HH12      ARG  32 -16.273  -6.055  -3.528
  236   HH21  ARG  32          HH21      ARG  32 -13.156  -4.420  -3.693
  237   HH22  ARG  32          HH22      ARG  32 -14.832  -4.365  -4.172
  238    H    SER  33           H        SER  33 -13.585  -7.357   1.545
  239    HA   SER  33           HA       SER  33 -12.059  -8.067   3.934
  240    HB2  SER  33           HB2      SER  33 -14.481  -8.926   4.585
  241    HB3  SER  33           HB3      SER  33 -14.102  -7.202   4.644
  242    HG   SER  33           HG       SER  33 -15.662  -8.635   2.812
  Start of MODEL   49
    1    HA   ALA   1           HA       ALA   1 -16.041   1.141   3.263
    2    HB1  ALA   1           HB1      ALA   1 -13.182   0.335   2.740
    3    HB2  ALA   1           HB2      ALA   1 -14.416  -0.688   3.474
    4    HB3  ALA   1           HB3      ALA   1 -13.875   0.772   4.300
    5    H    SER   2           H        SER   2 -13.221   1.926   1.233
    6    HA   SER   2           HA       SER   2 -13.861   4.689   1.029
    7    HB2  SER   2           HB2      SER   2 -13.148   4.645   3.431
    8    HB3  SER   2           HB3      SER   2 -11.591   3.993   2.927
    9    HG   SER   2           HG       SER   2 -11.724   6.346   3.248
   10    HA   PRO   3           HA       PRO   3 -11.160   2.759  -2.221
   11    HB2  PRO   3           HB2      PRO   3 -12.339   5.075  -3.683
   12    HB3  PRO   3           HB3      PRO   3 -12.116   3.393  -4.214
   13    HG2  PRO   3           HG2      PRO   3 -14.522   4.263  -3.519
   14    HG3  PRO   3           HG3      PRO   3 -13.971   2.640  -3.052
   15    HD2  PRO   3           HD2      PRO   3 -14.191   5.112  -1.349
   16    HD3  PRO   3           HD3      PRO   3 -14.506   3.399  -0.929
   17    H    GLN   4           H        GLN   4 -11.437   6.094  -1.149
   18    HA   GLN   4           HA       GLN   4  -9.102   7.043  -2.460
   19    HB2  GLN   4           HB2      GLN   4 -10.615   8.098  -0.075
   20    HB3  GLN   4           HB3      GLN   4  -9.200   8.898  -0.736
   21    HG2  GLN   4           HG2      GLN   4 -10.353   9.227  -2.865
   22    HG3  GLN   4           HG3      GLN   4 -11.766   8.379  -2.238
   23   HE21  GLN   4          HE21      GLN   4  -9.856  10.503  -0.247
   24   HE22  GLN   4          HE22      GLN   4 -11.038  11.761  -0.117
   25    H    GLN   5           H        GLN   5  -9.683   5.967   0.885
   26    HA   GLN   5           HA       GLN   5  -7.024   6.419   1.716
   27    HB2  GLN   5           HB2      GLN   5  -7.557   5.393   3.744
   28    HB3  GLN   5           HB3      GLN   5  -9.090   6.057   3.205
   29    HG2  GLN   5           HG2      GLN   5  -9.766   3.854   2.401
   30    HG3  GLN   5           HG3      GLN   5  -8.221   3.190   2.915
   31   HE21  GLN   5          HE21      GLN   5  -8.150   4.807   5.354
   32   HE22  GLN   5          HE22      GLN   5  -9.293   4.083   6.433
   33    H    ALA   6           H        ALA   6  -8.637   3.668   0.300
   34    HA   ALA   6           HA       ALA   6  -6.499   1.837   0.581
   35    HB1  ALA   6           HB1      ALA   6  -7.608   0.531  -1.163
   36    HB2  ALA   6           HB2      ALA   6  -8.686   1.886  -1.489
   37    HB3  ALA   6           HB3      ALA   6  -8.749   1.066   0.073
   38    H    LYS   7           H        LYS   7  -7.412   4.114  -1.953
   39    HA   LYS   7           HA       LYS   7  -5.423   3.399  -3.813
   40    HB2  LYS   7           HB2      LYS   7  -7.446   4.842  -4.250
   41    HB3  LYS   7           HB3      LYS   7  -6.630   6.145  -3.402
   42    HG2  LYS   7           HG2      LYS   7  -6.387   6.466  -5.761
   43    HG3  LYS   7           HG3      LYS   7  -4.801   6.044  -5.066
   44    HD2  LYS   7           HD2      LYS   7  -5.008   3.765  -5.859
   45    HD3  LYS   7           HD3      LYS   7  -6.670   4.049  -6.389
   46    HE2  LYS   7           HE2      LYS   7  -4.173   5.320  -7.528
   47    HE3  LYS   7           HE3      LYS   7  -5.173   4.096  -8.312
   48    HZ1  LYS   7           HZ1      LYS   7  -7.020   5.699  -8.280
   49    HZ2  LYS   7           HZ2      LYS   7  -5.700   6.254  -9.178
   50    HZ3  LYS   7           HZ3      LYS   7  -5.986   6.871  -7.633
   51    H    TYR   8           H        TYR   8  -5.472   5.657  -1.109
   52    HA   TYR   8           HA       TYR   8  -2.874   6.702  -1.532
   53    HB2  TYR   8           HB2      TYR   8  -4.604   7.826  -0.137
   54    HB3  TYR   8           HB3      TYR   8  -4.407   6.547   1.066
   55    HD1  TYR   8           HD1      TYR   8  -2.546   9.226  -0.705
   56    HD2  TYR   8           HD2      TYR   8  -2.757   6.704   2.709
   57    HE1  TYR   8           HE1      TYR   8  -0.696  10.476   0.324
   58    HE2  TYR   8           HE2      TYR   8  -0.907   7.944   3.747
   59    HH   TYR   8           HH       TYR   8   0.219  10.932   2.527
   60    H    CYS   9           H        CYS   9  -4.130   3.995   0.355
   61    HA   CYS   9           HA       CYS   9  -1.799   3.288   1.729
   62    HB2  CYS   9           HB2      CYS   9  -4.085   2.276   2.084
   63    HB3  CYS   9           HB3      CYS   9  -3.836   1.333   0.608
   64    H    TYR  10           H        TYR  10  -2.949   2.260  -1.466
   65    HA   TYR  10           HA       TYR  10  -0.688   0.635  -2.043
   66    HB2  TYR  10           HB2      TYR  10  -2.889   1.819  -3.739
   67    HB3  TYR  10           HB3      TYR  10  -1.540   0.940  -4.466
   68    HD1  TYR  10           HD1      TYR  10  -4.681   0.647  -2.674
   69    HD2  TYR  10           HD2      TYR  10  -1.166  -1.433  -3.867
   70    HE1  TYR  10           HE1      TYR  10  -5.807  -1.489  -2.254
   71    HE2  TYR  10           HE2      TYR  10  -2.284  -3.567  -3.455
   72    HH   TYR  10           HH       TYR  10  -4.137  -4.448  -2.110
   73    H    GLU  11           H        GLU  11  -1.235   4.027  -2.210
   74    HA   GLU  11           HA       GLU  11   0.953   4.519  -4.004
   75    HB2  GLU  11           HB2      GLU  11  -0.922   6.089  -3.942
   76    HB3  GLU  11           HB3      GLU  11  -0.606   6.423  -2.228
   77    HG2  GLU  11           HG2      GLU  11   1.593   7.343  -2.848
   78    HG3  GLU  11           HG3      GLU  11   1.188   7.083  -4.560
   79    H    GLN  12           H        GLN  12   0.419   4.891  -0.480
   80    HA   GLN  12           HA       GLN  12   3.058   5.952  -0.172
   81    HB2  GLN  12           HB2      GLN  12   2.546   6.230   2.163
   82    HB3  GLN  12           HB3      GLN  12   1.198   6.796   1.195
   83    HG2  GLN  12           HG2      GLN  12  -0.167   5.066   1.851
   84    HG3  GLN  12           HG3      GLN  12   1.188   4.025   2.270
   85   HE21  GLN  12          HE21      GLN  12   2.568   6.093   3.775
   86   HE22  GLN  12          HE22      GLN  12   1.683   6.290   5.251
   87    H    CYS  13           H        CYS  13   1.763   2.802  -0.164
   88    HA   CYS  13           HA       CYS  13   3.239   1.588   1.879
   89    HB2  CYS  13           HB2      CYS  13   2.834  -0.530   0.648
   90    HB3  CYS  13           HB3      CYS  13   1.369   0.455   0.759
   91    H    ASN  14           H        ASN  14   4.034   1.665  -1.618
   92    HA   ASN  14           HA       ASN  14   6.690   0.744  -1.145
   93    HB2  ASN  14           HB2      ASN  14   7.094   1.396  -3.545
   94    HB3  ASN  14           HB3      ASN  14   5.776   0.268  -3.287
   95   HD21  ASN  14          HD21      ASN  14   5.736   3.820  -2.907
   96   HD22  ASN  14          HD22      ASN  14   4.542   4.083  -4.133
   97    H    VAL  15           H        VAL  15   5.220   3.873  -1.173
   98    HA   VAL  15           HA       VAL  15   7.512   5.470  -1.518
   99    HB   VAL  15           HB       VAL  15   4.913   5.996  -0.081
  100   HG11  VAL  15          HG11      VAL  15   6.641   7.360   0.976
  101   HG12  VAL  15          HG12      VAL  15   5.536   8.357   0.031
  102   HG13  VAL  15          HG13      VAL  15   7.134   7.968  -0.604
  103   HG21  VAL  15          HG21      VAL  15   4.768   5.806  -2.512
  104   HG22  VAL  15          HG22      VAL  15   6.026   7.028  -2.690
  105   HG23  VAL  15          HG23      VAL  15   4.467   7.464  -1.993
  106    H    ASN  16           H        ASN  16   5.988   4.091   1.374
  107    HA   ASN  16           HA       ASN  16   7.879   5.208   3.195
  108    HB2  ASN  16           HB2      ASN  16   6.105   2.757   3.505
  109    HB3  ASN  16           HB3      ASN  16   6.986   3.562   4.809
  110   HD21  ASN  16          HD21      ASN  16   6.468   6.228   3.758
  111   HD22  ASN  16          HD22      ASN  16   4.807   6.555   4.111
  112    H    LYS  17           H        LYS  17   7.439   1.720   2.640
  113    HA   LYS  17           HA       LYS  17   9.708   1.254   1.151
  114    HB2  LYS  17           HB2      LYS  17  10.901   2.032   3.226
  115    HB3  LYS  17           HB3      LYS  17  10.233   0.619   4.057
  116    HG2  LYS  17           HG2      LYS  17  11.414  -0.870   2.539
  117    HG3  LYS  17           HG3      LYS  17  12.042   0.516   1.639
  118    HD2  LYS  17           HD2      LYS  17  13.260   1.298   3.568
  119    HD3  LYS  17           HD3      LYS  17  12.573   0.014   4.586
  120    HE2  LYS  17           HE2      LYS  17  13.673  -1.657   3.126
  121    HE3  LYS  17           HE3      LYS  17  14.395  -0.347   2.196
  122    HZ1  LYS  17           HZ1      LYS  17  14.854  -0.893   5.077
  123    HZ2  LYS  17           HZ2      LYS  17  15.528   0.390   4.205
  124    HZ3  LYS  17           HZ3      LYS  17  15.942  -1.202   3.820
  125    H    VAL  18           H        VAL  18   7.968  -0.152   0.274
  126    HA   VAL  18           HA       VAL  18   8.221  -2.792   1.469
  127    HB   VAL  18           HB       VAL  18   5.998  -3.335   1.775
  128   HG11  VAL  18          HG11      VAL  18   6.566  -1.637   3.427
  129   HG12  VAL  18          HG12      VAL  18   4.847  -1.613   3.031
  130   HG13  VAL  18          HG13      VAL  18   5.922  -0.380   2.368
  131   HG21  VAL  18          HG21      VAL  18   5.262  -2.761  -0.455
  132   HG22  VAL  18          HG22      VAL  18   5.168  -1.055  -0.009
  133   HG23  VAL  18          HG23      VAL  18   4.088  -2.229   0.752
  134    HA   PRO  19           HA       PRO  19   8.130  -3.918  -2.905
  135    HB2  PRO  19           HB2      PRO  19   7.435  -6.611  -1.987
  136    HB3  PRO  19           HB3      PRO  19   8.889  -6.069  -2.845
  137    HG2  PRO  19           HG2      PRO  19   8.960  -6.852  -0.264
  138    HG3  PRO  19           HG3      PRO  19  10.021  -5.584  -0.911
  139    HD2  PRO  19           HD2      PRO  19   7.506  -5.291   0.709
  140    HD3  PRO  19           HD3      PRO  19   9.045  -4.400   0.816
  141    H    PHE  20           H        PHE  20   6.480  -4.624  -4.450
  142    HA   PHE  20           HA       PHE  20   3.961  -3.630  -3.867
  143    HB2  PHE  20           HB2      PHE  20   4.846  -4.006  -6.174
  144    HB3  PHE  20           HB3      PHE  20   4.514  -5.724  -5.976
  145    HD1  PHE  20           HD1      PHE  20   2.268  -6.579  -6.073
  146    HD2  PHE  20           HD2      PHE  20   3.022  -2.397  -6.308
  147    HE1  PHE  20           HE1      PHE  20  -0.047  -6.208  -6.818
  148    HE2  PHE  20           HE2      PHE  20   0.708  -2.018  -7.050
  149    HZ   PHE  20           HZ       PHE  20  -0.831  -3.924  -7.305
  150    H    ASP  21           H        ASP  21   5.061  -6.985  -3.690
  151    HA   ASP  21           HA       ASP  21   2.572  -8.200  -3.295
  152    HB2  ASP  21           HB2      ASP  21   3.843 -10.064  -2.271
  153    HB3  ASP  21           HB3      ASP  21   4.518  -9.543  -3.811
  154    H    GLN  22           H        GLN  22   4.857  -6.846  -0.923
  155    HA   GLN  22           HA       GLN  22   3.273  -7.483   1.337
  156    HB2  GLN  22           HB2      GLN  22   5.637  -6.890   1.578
  157    HB3  GLN  22           HB3      GLN  22   5.305  -5.264   0.988
  158    HG2  GLN  22           HG2      GLN  22   3.803  -4.918   2.926
  159    HG3  GLN  22           HG3      GLN  22   4.287  -6.505   3.534
  160   HE21  GLN  22          HE21      GLN  22   7.042  -6.214   2.648
  161   HE22  GLN  22          HE22      GLN  22   7.784  -5.100   3.748
  162    H    CYS  23           H        CYS  23   3.385  -4.739  -0.858
  163    HA   CYS  23           HA       CYS  23   1.658  -3.007   0.524
  164    HB2  CYS  23           HB2      CYS  23   2.967  -2.372  -1.540
  165    HB3  CYS  23           HB3      CYS  23   1.810  -3.305  -2.492
  166    H    TYR  24           H        TYR  24   0.972  -5.577  -1.806
  167    HA   TYR  24           HA       TYR  24  -1.819  -5.285  -1.802
  168    HB2  TYR  24           HB2      TYR  24  -0.619  -6.658  -3.478
  169    HB3  TYR  24           HB3      TYR  24  -0.207  -7.828  -2.212
  170    HD1  TYR  24           HD1      TYR  24  -1.801  -9.426  -1.447
  171    HD2  TYR  24           HD2      TYR  24  -2.971  -6.401  -4.194
  172    HE1  TYR  24           HE1      TYR  24  -3.923 -10.598  -1.824
  173    HE2  TYR  24           HE2      TYR  24  -5.094  -7.567  -4.584
  174    HH   TYR  24           HH       TYR  24  -6.225 -10.046  -2.588
  175    H    GLN  25           H        GLN  25   0.341  -7.066   0.362
  176    HA   GLN  25           HA       GLN  25  -1.847  -8.538   1.509
  177    HB2  GLN  25           HB2      GLN  25   1.076  -8.340   2.228
  178    HB3  GLN  25           HB3      GLN  25  -0.068  -9.253   3.205
  179    HG2  GLN  25           HG2      GLN  25   0.566  -9.763   0.286
  180    HG3  GLN  25           HG3      GLN  25   1.105 -10.727   1.657
  181   HE21  GLN  25          HE21      GLN  25  -1.421 -10.532   3.072
  182   HE22  GLN  25          HE22      GLN  25  -2.534 -11.552   2.227
  183    H    MET  26           H        MET  26  -0.316  -5.511   2.188
  184    HA   MET  26           HA       MET  26  -1.538  -5.387   4.818
  185    HB2  MET  26           HB2      MET  26   0.642  -4.383   4.620
  186    HB3  MET  26           HB3      MET  26   0.121  -3.419   3.250
  187    HG2  MET  26           HG2      MET  26  -1.420  -2.182   4.731
  188    HG3  MET  26           HG3      MET  26  -0.814  -3.115   6.100
  189    HE1  MET  26           HE1      MET  26   0.203  -0.672   3.201
  190    HE2  MET  26           HE2      MET  26   1.492  -1.872   3.107
  191    HE3  MET  26           HE3      MET  26   1.850  -0.236   3.653
  192    H    CYS  27           H        CYS  27  -1.920  -3.805   1.648
  193    HA   CYS  27           HA       CYS  27  -4.066  -2.161   2.666
  194    HB2  CYS  27           HB2      CYS  27  -3.118  -2.464  -0.203
  195    HB3  CYS  27           HB3      CYS  27  -4.163  -1.185   0.445
  196    H    SER  28           H        SER  28  -3.885  -5.221   0.951
  197    HA   SER  28           HA       SER  28  -6.428  -5.090  -0.244
  198    HB2  SER  28           HB2      SER  28  -4.761  -6.776  -0.931
  199    HB3  SER  28           HB3      SER  28  -5.027  -7.632   0.597
  200    HG   SER  28           HG       SER  28  -7.059  -8.151  -0.035
  201    HA   PRO  29           HA       PRO  29  -8.154  -7.417   3.767
  202    HB2  PRO  29           HB2      PRO  29  -6.244  -6.093   5.647
  203    HB3  PRO  29           HB3      PRO  29  -7.052  -7.669   5.789
  204    HG2  PRO  29           HG2      PRO  29  -4.509  -7.593   5.086
  205    HG3  PRO  29           HG3      PRO  29  -5.628  -8.688   4.234
  206    HD2  PRO  29           HD2      PRO  29  -4.508  -6.046   3.335
  207    HD3  PRO  29           HD3      PRO  29  -4.787  -7.534   2.400
  208    H    LEU  30           H        LEU  30  -6.690  -4.234   3.803
  209    HA   LEU  30           HA       LEU  30  -8.671  -2.879   5.294
  210    HB2  LEU  30           HB2      LEU  30  -6.578  -1.788   5.062
  211    HB3  LEU  30           HB3      LEU  30  -6.579  -2.012   3.303
  212    HG   LEU  30           HG       LEU  30  -8.432  -0.383   3.118
  213   HD11  LEU  30          HD11      LEU  30  -9.391  -0.642   5.346
  214   HD12  LEU  30          HD12      LEU  30  -8.999   1.041   5.005
  215   HD13  LEU  30          HD13      LEU  30  -7.954   0.092   6.059
  216   HD21  LEU  30          HD21      LEU  30  -6.148   0.346   2.777
  217   HD22  LEU  30          HD22      LEU  30  -5.939   0.597   4.511
  218   HD23  LEU  30          HD23      LEU  30  -7.061   1.611   3.603
  219    H    GLU  31           H        GLU  31  -8.134  -3.242   1.837
  220    HA   GLU  31           HA       GLU  31 -10.411  -1.657   1.126
  221    HB2  GLU  31           HB2      GLU  31  -8.256  -1.849  -0.178
  222    HB3  GLU  31           HB3      GLU  31  -8.777  -3.470  -0.659
  223    HG2  GLU  31           HG2      GLU  31 -10.408  -0.999  -1.245
  224    HG3  GLU  31           HG3      GLU  31  -9.160  -1.613  -2.336
  225    H    ARG  32           H        ARG  32  -9.661  -5.125   1.004
  226    HA   ARG  32           HA       ARG  32 -12.289  -5.731  -0.047
  227    HB2  ARG  32           HB2      ARG  32  -9.993  -7.509   0.814
  228    HB3  ARG  32           HB3      ARG  32 -11.562  -8.165   0.356
  229    HG2  ARG  32           HG2      ARG  32  -9.752  -6.505  -1.440
  230    HG3  ARG  32           HG3      ARG  32  -9.916  -8.258  -1.499
  231    HD2  ARG  32           HD2      ARG  32 -11.221  -7.311  -3.266
  232    HD3  ARG  32           HD3      ARG  32 -12.340  -7.941  -2.064
  233    HE   ARG  32           HE       ARG  32 -11.633  -5.073  -2.234
  234   HH11  ARG  32          HH11      ARG  32 -14.041  -7.623  -1.985
  235   HH12  ARG  32          HH12      ARG  32 -15.368  -6.517  -1.845
  236   HH21  ARG  32          HH21      ARG  32 -13.362  -3.631  -2.012
  237   HH22  ARG  32          HH22      ARG  32 -14.984  -4.244  -1.847
  238    H    SER  33           H        SER  33 -13.829  -5.210   1.364
  239    HA   SER  33           HA       SER  33 -13.743  -6.550   3.991
  240    HB2  SER  33           HB2      SER  33 -15.245  -3.993   3.336
  241    HB3  SER  33           HB3      SER  33 -15.038  -4.729   4.925
  242    HG   SER  33           HG       SER  33 -13.053  -3.534   3.286
  Start of MODEL   50
    1    HA   ALA   1           HA       ALA   1 -16.165   3.006   0.974
    2    HB1  ALA   1           HB1      ALA   1 -18.331   4.614  -0.372
    3    HB2  ALA   1           HB2      ALA   1 -18.404   2.890  -0.003
    4    HB3  ALA   1           HB3      ALA   1 -17.223   3.496  -1.164
    5    H    SER   2           H        SER   2 -14.346   3.771   0.109
    6    HA   SER   2           HA       SER   2 -14.012   6.415  -0.890
    7    HB2  SER   2           HB2      SER   2 -14.002   6.843   1.621
    8    HB3  SER   2           HB3      SER   2 -12.548   5.852   1.708
    9    HG   SER   2           HG       SER   2 -12.884   8.247   0.215
   10    HA   PRO   3           HA       PRO   3 -11.133   3.077  -2.529
   11    HB2  PRO   3           HB2      PRO   3 -11.573   4.978  -4.802
   12    HB3  PRO   3           HB3      PRO   3 -11.414   3.206  -4.830
   13    HG2  PRO   3           HG2      PRO   3 -13.803   4.284  -5.066
   14    HG3  PRO   3           HG3      PRO   3 -13.573   2.882  -4.000
   15    HD2  PRO   3           HD2      PRO   3 -13.892   5.782  -3.242
   16    HD3  PRO   3           HD3      PRO   3 -14.536   4.314  -2.443
   17    H    GLN   4           H        GLN   4 -11.159   6.574  -2.531
   18    HA   GLN   4           HA       GLN   4  -8.533   7.117  -3.266
   19    HB2  GLN   4           HB2      GLN   4 -10.191   8.862  -3.106
   20    HB3  GLN   4           HB3      GLN   4 -10.408   8.559  -1.389
   21    HG2  GLN   4           HG2      GLN   4  -8.167   9.363  -0.934
   22    HG3  GLN   4           HG3      GLN   4  -7.879   9.610  -2.657
   23   HE21  GLN   4          HE21      GLN   4  -7.812  11.565  -0.487
   24   HE22  GLN   4          HE22      GLN   4  -8.967  12.781  -0.911
   25    H    GLN   5           H        GLN   5  -9.887   6.139  -0.179
   26    HA   GLN   5           HA       GLN   5  -7.532   6.649   1.337
   27    HB2  GLN   5           HB2      GLN   5  -9.944   4.934   1.903
   28    HB3  GLN   5           HB3      GLN   5  -8.609   5.101   3.032
   29    HG2  GLN   5           HG2      GLN   5  -9.002   7.532   3.116
   30    HG3  GLN   5           HG3      GLN   5 -10.381   7.333   2.037
   31   HE21  GLN   5          HE21      GLN   5 -11.190   4.805   3.269
   32   HE22  GLN   5          HE22      GLN   5 -11.900   5.227   4.790
   33    H    ALA   6           H        ALA   6  -8.853   3.786  -0.226
   34    HA   ALA   6           HA       ALA   6  -6.823   2.004   0.597
   35    HB1  ALA   6           HB1      ALA   6  -7.542   0.606  -1.305
   36    HB2  ALA   6           HB2      ALA   6  -8.566   1.923  -1.866
   37    HB3  ALA   6           HB3      ALA   6  -8.898   1.146  -0.318
   38    H    LYS   7           H        LYS   7  -7.167   4.150  -2.173
   39    HA   LYS   7           HA       LYS   7  -4.824   3.341  -3.516
   40    HB2  LYS   7           HB2      LYS   7  -6.639   4.698  -4.547
   41    HB3  LYS   7           HB3      LYS   7  -6.151   6.062  -3.550
   42    HG2  LYS   7           HG2      LYS   7  -5.288   6.271  -5.813
   43    HG3  LYS   7           HG3      LYS   7  -3.966   6.103  -4.628
   44    HD2  LYS   7           HD2      LYS   7  -3.705   3.752  -5.207
   45    HD3  LYS   7           HD3      LYS   7  -5.102   3.824  -6.287
   46    HE2  LYS   7           HE2      LYS   7  -2.461   5.253  -6.626
   47    HE3  LYS   7           HE3      LYS   7  -3.082   3.934  -7.619
   48    HZ1  LYS   7           HZ1      LYS   7  -4.937   5.423  -8.252
   49    HZ2  LYS   7           HZ2      LYS   7  -3.425   5.979  -8.762
   50    HZ3  LYS   7           HZ3      LYS   7  -4.174   6.688  -7.424
   51    H    TYR   8           H        TYR   8  -5.409   5.569  -0.876
   52    HA   TYR   8           HA       TYR   8  -2.913   6.861  -0.871
   53    HB2  TYR   8           HB2      TYR   8  -4.895   7.627   0.437
   54    HB3  TYR   8           HB3      TYR   8  -4.662   6.256   1.526
   55    HD1  TYR   8           HD1      TYR   8  -3.207   9.430   0.356
   56    HD2  TYR   8           HD2      TYR   8  -3.001   6.315   3.242
   57    HE1  TYR   8           HE1      TYR   8  -1.669  10.792   1.703
   58    HE2  TYR   8           HE2      TYR   8  -1.459   7.667   4.600
   59    HH   TYR   8           HH       TYR   8  -0.956  10.967   4.070
   60    H    CYS   9           H        CYS   9  -4.033   3.907   0.753
   61    HA   CYS   9           HA       CYS   9  -1.652   3.350   2.136
   62    HB2  CYS   9           HB2      CYS   9  -3.634   2.081   2.703
   63    HB3  CYS   9           HB3      CYS   9  -3.759   1.435   1.057
   64    H    TYR  10           H        TYR  10  -2.753   2.242  -1.047
   65    HA   TYR  10           HA       TYR  10  -0.420   0.716  -1.566
   66    HB2  TYR  10           HB2      TYR  10  -2.685   1.685  -3.318
   67    HB3  TYR  10           HB3      TYR  10  -1.314   0.783  -3.974
   68    HD1  TYR  10           HD1      TYR  10  -4.382   0.573  -1.992
   69    HD2  TYR  10           HD2      TYR  10  -0.929  -1.536  -3.308
   70    HE1  TYR  10           HE1      TYR  10  -5.442  -1.543  -1.370
   71    HE2  TYR  10           HE2      TYR  10  -1.986  -3.653  -2.691
   72    HH   TYR  10           HH       TYR  10  -5.284  -3.928  -1.952
   73    H    GLU  11           H        GLU  11  -1.280   4.059  -2.191
   74    HA   GLU  11           HA       GLU  11   0.878   4.587  -3.949
   75    HB2  GLU  11           HB2      GLU  11  -1.056   6.095  -3.818
   76    HB3  GLU  11           HB3      GLU  11  -0.658   6.478  -2.130
   77    HG2  GLU  11           HG2      GLU  11   1.483   7.447  -2.902
   78    HG3  GLU  11           HG3      GLU  11   0.970   7.150  -4.580
   79    H    GLN  12           H        GLN  12   0.481   5.018  -0.426
   80    HA   GLN  12           HA       GLN  12   3.097   6.204  -0.241
   81    HB2  GLN  12           HB2      GLN  12   1.139   5.501   1.955
   82    HB3  GLN  12           HB3      GLN  12   2.578   6.485   2.128
   83    HG2  GLN  12           HG2      GLN  12   0.519   7.256   0.133
   84    HG3  GLN  12           HG3      GLN  12   0.251   7.586   1.835
   85   HE21  GLN  12          HE21      GLN  12   3.448   7.629   0.500
   86   HE22  GLN  12          HE22      GLN  12   3.671   9.345   0.564
   87    H    CYS  13           H        CYS  13   1.837   3.003   0.059
   88    HA   CYS  13           HA       CYS  13   3.552   2.018   2.060
   89    HB2  CYS  13           HB2      CYS  13   3.003  -0.229   1.207
   90    HB3  CYS  13           HB3      CYS  13   1.552   0.775   1.307
   91    H    ASN  14           H        ASN  14   3.926   1.913  -1.492
   92    HA   ASN  14           HA       ASN  14   6.567   0.836  -1.314
   93    HB2  ASN  14           HB2      ASN  14   6.745   1.322  -3.711
   94    HB3  ASN  14           HB3      ASN  14   5.233   0.511  -3.344
   95   HD21  ASN  14          HD21      ASN  14   3.255   1.714  -3.564
   96   HD22  ASN  14          HD22      ASN  14   3.226   3.228  -4.400
   97    H    VAL  15           H        VAL  15   5.256   4.055  -1.298
   98    HA   VAL  15           HA       VAL  15   7.634   5.443  -1.927
   99    HB   VAL  15           HB       VAL  15   5.203   6.351  -0.370
  100   HG11  VAL  15          HG11      VAL  15   7.104   7.717   0.279
  101   HG12  VAL  15          HG12      VAL  15   6.028   8.647  -0.764
  102   HG13  VAL  15          HG13      VAL  15   7.524   7.980  -1.412
  103   HG21  VAL  15          HG21      VAL  15   4.744   5.822  -2.709
  104   HG22  VAL  15          HG22      VAL  15   6.074   6.860  -3.218
  105   HG23  VAL  15          HG23      VAL  15   4.656   7.564  -2.442
  106    H    ASN  16           H        ASN  16   6.247   4.260   1.110
  107    HA   ASN  16           HA       ASN  16   8.336   5.376   2.734
  108    HB2  ASN  16           HB2      ASN  16   6.456   3.056   3.303
  109    HB3  ASN  16           HB3      ASN  16   7.500   3.842   4.490
  110   HD21  ASN  16          HD21      ASN  16   7.020   6.505   3.408
  111   HD22  ASN  16          HD22      ASN  16   5.416   6.930   3.901
  112    H    LYS  17           H        LYS  17   7.629   1.900   2.435
  113    HA   LYS  17           HA       LYS  17   9.716   1.209   0.774
  114    HB2  LYS  17           HB2      LYS  17  11.359   0.161   2.270
  115    HB3  LYS  17           HB3      LYS  17  11.268   1.907   2.521
  116    HG2  LYS  17           HG2      LYS  17   9.779  -0.029   4.284
  117    HG3  LYS  17           HG3      LYS  17  11.472   0.374   4.573
  118    HD2  LYS  17           HD2      LYS  17  10.909   2.735   4.798
  119    HD3  LYS  17           HD3      LYS  17   9.201   2.396   4.440
  120    HE2  LYS  17           HE2      LYS  17  10.734   1.239   6.777
  121    HE3  LYS  17           HE3      LYS  17   9.717   2.672   6.871
  122    HZ1  LYS  17           HZ1      LYS  17   8.563   0.667   7.602
  123    HZ2  LYS  17           HZ2      LYS  17   8.784  -0.033   6.080
  124    HZ3  LYS  17           HZ3      LYS  17   7.818   1.344   6.244
  125    H    VAL  18           H        VAL  18   7.794  -0.064   0.100
  126    HA   VAL  18           HA       VAL  18   8.076  -2.709   1.276
  127    HB   VAL  18           HB       VAL  18   5.892  -3.190   1.808
  128   HG11  VAL  18          HG11      VAL  18   5.864  -0.216   2.305
  129   HG12  VAL  18          HG12      VAL  18   6.616  -1.431   3.341
  130   HG13  VAL  18          HG13      VAL  18   4.866  -1.432   3.109
  131   HG21  VAL  18          HG21      VAL  18   3.911  -2.084   0.916
  132   HG22  VAL  18          HG22      VAL  18   4.970  -2.697  -0.361
  133   HG23  VAL  18          HG23      VAL  18   4.943  -0.970   0.011
  134    HA   PRO  19           HA       PRO  19   7.712  -3.844  -3.074
  135    HB2  PRO  19           HB2      PRO  19   7.102  -6.520  -2.022
  136    HB3  PRO  19           HB3      PRO  19   8.444  -6.007  -3.058
  137    HG2  PRO  19           HG2      PRO  19   8.828  -6.707  -0.487
  138    HG3  PRO  19           HG3      PRO  19   9.788  -5.444  -1.282
  139    HD2  PRO  19           HD2      PRO  19   7.490  -5.143   0.628
  140    HD3  PRO  19           HD3      PRO  19   9.003  -4.212   0.501
  141    H    PHE  20           H        PHE  20   5.967  -4.549  -4.488
  142    HA   PHE  20           HA       PHE  20   3.434  -3.704  -3.731
  143    HB2  PHE  20           HB2      PHE  20   4.182  -4.003  -6.093
  144    HB3  PHE  20           HB3      PHE  20   4.016  -5.743  -5.894
  145    HD1  PHE  20           HD1      PHE  20   1.842  -6.788  -5.830
  146    HD2  PHE  20           HD2      PHE  20   2.234  -2.566  -6.171
  147    HE1  PHE  20           HE1      PHE  20  -0.525  -6.626  -6.477
  148    HE2  PHE  20           HE2      PHE  20  -0.133  -2.397  -6.814
  149    HZ   PHE  20           HZ       PHE  20  -1.517  -4.427  -6.969
  150    H    ASP  21           H        ASP  21   4.713  -7.019  -3.772
  151    HA   ASP  21           HA       ASP  21   2.358  -8.352  -3.107
  152    HB2  ASP  21           HB2      ASP  21   3.786 -10.175  -2.273
  153    HB3  ASP  21           HB3      ASP  21   4.341  -9.571  -3.830
  154    H    GLN  22           H        GLN  22   4.782  -6.866  -1.004
  155    HA   GLN  22           HA       GLN  22   3.601  -7.601   1.453
  156    HB2  GLN  22           HB2      GLN  22   5.904  -6.832   1.319
  157    HB3  GLN  22           HB3      GLN  22   5.368  -5.252   0.753
  158    HG2  GLN  22           HG2      GLN  22   5.950  -5.121   3.070
  159    HG3  GLN  22           HG3      GLN  22   4.202  -4.912   2.889
  160   HE21  GLN  22          HE21      GLN  22   3.805  -5.500   5.003
  161   HE22  GLN  22          HE22      GLN  22   3.946  -7.136   5.555
  162    H    CYS  23           H        CYS  23   3.205  -4.810  -0.676
  163    HA   CYS  23           HA       CYS  23   1.555  -3.298   1.059
  164    HB2  CYS  23           HB2      CYS  23   2.713  -2.482  -1.103
  165    HB3  CYS  23           HB3      CYS  23   1.346  -3.203  -1.958
  166    H    TYR  24           H        TYR  24   0.849  -5.711  -1.412
  167    HA   TYR  24           HA       TYR  24  -1.957  -5.620  -1.215
  168    HB2  TYR  24           HB2      TYR  24  -0.762  -6.759  -3.071
  169    HB3  TYR  24           HB3      TYR  24  -0.196  -7.989  -1.930
  170    HD1  TYR  24           HD1      TYR  24  -1.541  -9.836  -1.380
  171    HD2  TYR  24           HD2      TYR  24  -3.238  -6.564  -3.500
  172    HE1  TYR  24           HE1      TYR  24  -3.570 -11.156  -1.779
  173    HE2  TYR  24           HE2      TYR  24  -5.273  -7.874  -3.902
  174    HH   TYR  24           HH       TYR  24  -5.974 -10.744  -2.258
  175    H    GLN  25           H        GLN  25   0.474  -7.302   0.716
  176    HA   GLN  25           HA       GLN  25  -1.434  -9.114   1.854
  177    HB2  GLN  25           HB2      GLN  25   1.403  -8.423   2.647
  178    HB3  GLN  25           HB3      GLN  25   0.424  -9.603   3.513
  179    HG2  GLN  25           HG2      GLN  25   1.258  -9.775   0.605
  180    HG3  GLN  25           HG3      GLN  25   1.896 -10.725   1.940
  181   HE21  GLN  25          HE21      GLN  25  -0.690 -11.109   3.199
  182   HE22  GLN  25          HE22      GLN  25  -1.542 -12.248   2.214
  183    H    MET  26           H        MET  26  -0.443  -5.898   2.555
  184    HA   MET  26           HA       MET  26  -1.530  -5.998   5.241
  185    HB2  MET  26           HB2      MET  26   0.453  -4.696   5.045
  186    HB3  MET  26           HB3      MET  26  -0.168  -3.847   3.639
  187    HG2  MET  26           HG2      MET  26  -1.829  -2.720   5.044
  188    HG3  MET  26           HG3      MET  26  -1.206  -3.571   6.458
  189    HE1  MET  26           HE1      MET  26   1.356  -0.538   4.075
  190    HE2  MET  26           HE2      MET  26  -0.212  -1.132   3.526
  191    HE3  MET  26           HE3      MET  26   1.176  -2.217   3.577
  192    H    CYS  27           H        CYS  27  -2.279  -4.263   2.187
  193    HA   CYS  27           HA       CYS  27  -4.719  -3.329   3.523
  194    HB2  CYS  27           HB2      CYS  27  -3.121  -2.148   1.258
  195    HB3  CYS  27           HB3      CYS  27  -4.801  -1.656   1.569
  196    H    SER  28           H        SER  28  -4.068  -5.861   1.528
  197    HA   SER  28           HA       SER  28  -6.141  -5.660  -0.325
  198    HB2  SER  28           HB2      SER  28  -6.232  -8.176  -0.288
  199    HB3  SER  28           HB3      SER  28  -4.643  -7.476  -0.617
  200    HG   SER  28           HG       SER  28  -3.919  -8.172   1.265
  201    HA   PRO  29           HA       PRO  29  -9.139  -7.462   3.176
  202    HB2  PRO  29           HB2      PRO  29  -7.841  -5.951   5.402
  203    HB3  PRO  29           HB3      PRO  29  -8.719  -7.496   5.450
  204    HG2  PRO  29           HG2      PRO  29  -6.075  -7.509   5.588
  205    HG3  PRO  29           HG3      PRO  29  -6.917  -8.700   4.563
  206    HD2  PRO  29           HD2      PRO  29  -5.474  -6.184   3.757
  207    HD3  PRO  29           HD3      PRO  29  -5.490  -7.783   2.969
  208    H    LEU  30           H        LEU  30  -7.579  -4.397   2.905
  209    HA   LEU  30           HA       LEU  30  -9.872  -2.816   3.650
  210    HB2  LEU  30           HB2      LEU  30  -7.328  -2.220   3.833
  211    HB3  LEU  30           HB3      LEU  30  -7.472  -1.831   2.113
  212    HG   LEU  30           HG       LEU  30  -8.913  -0.472   4.415
  213   HD11  LEU  30          HD11      LEU  30  -6.596   0.172   4.256
  214   HD12  LEU  30          HD12      LEU  30  -7.597   1.488   3.645
  215   HD13  LEU  30          HD13      LEU  30  -6.744   0.433   2.517
  216   HD21  LEU  30          HD21      LEU  30 -10.356  -0.591   2.416
  217   HD22  LEU  30          HD22      LEU  30  -9.072   0.149   1.460
  218   HD23  LEU  30          HD23      LEU  30  -9.835   1.058   2.764
  219    H    GLU  31           H        GLU  31  -7.992  -3.285   0.669
  220    HA   GLU  31           HA       GLU  31 -10.015  -1.955  -0.895
  221    HB2  GLU  31           HB2      GLU  31  -7.561  -1.705  -1.338
  222    HB3  GLU  31           HB3      GLU  31  -7.527  -3.394  -1.848
  223    HG2  GLU  31           HG2      GLU  31  -9.093  -2.880  -3.656
  224    HG3  GLU  31           HG3      GLU  31  -9.113  -1.183  -3.160
  225    H    ARG  32           H        ARG  32  -8.429  -5.086  -1.473
  226    HA   ARG  32           HA       ARG  32 -11.013  -6.361  -1.839
  227    HB2  ARG  32           HB2      ARG  32  -8.973  -6.074  -4.055
  228    HB3  ARG  32           HB3      ARG  32 -10.166  -7.373  -4.051
  229    HG2  ARG  32           HG2      ARG  32 -10.810  -4.409  -4.066
  230    HG3  ARG  32           HG3      ARG  32 -10.817  -5.454  -5.488
  231    HD2  ARG  32           HD2      ARG  32 -12.753  -5.295  -3.223
  232    HD3  ARG  32           HD3      ARG  32 -13.039  -5.465  -4.950
  233    HE   ARG  32           HE       ARG  32 -11.994  -7.833  -4.466
  234   HH11  ARG  32          HH11      ARG  32 -14.325  -6.045  -2.552
  235   HH12  ARG  32          HH12      ARG  32 -15.078  -7.465  -1.907
  236   HH21  ARG  32          HH21      ARG  32 -12.966  -9.704  -3.598
  237   HH22  ARG  32          HH22      ARG  32 -14.298  -9.554  -2.496
  238    H    SER  33           H        SER  33 -10.939  -8.165  -0.750
  239    HA   SER  33           HA       SER  33  -8.544  -9.844  -0.880
  240    HB2  SER  33           HB2      SER  33  -8.465  -8.414   1.232
  241    HB3  SER  33           HB3      SER  33  -9.921  -9.258   1.760
  242    HG   SER  33           HG       SER  33  -7.307 -10.228   1.439