NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
22042 | 2j48 | 6438 | cing | 1-original | 4 | XPLOR/CNS | distance | NOE | simple |
! H12 assign (resid 12 and name HA ) (resid 36 and name HB# ) 4.0 2.2 1.5 ! A.524 at -5.04e+05 assign (resid 12 and name HB# ) (resid 55 and name HA ) 4.0 2.2 1.5 ! A.946 at 7.16e+05 ! I13 assign (resid 13 and name HA ) (resid 13 and name HG1# ) 4.0 2.2 2.5 ! A.1031 at 4.06e+05 assign (resid 13 and name HD1# ) (resid 13 and name HB ) 4.0 2.2 1.5 ! A.121 at -6.01e+05 assign (resid 13 and name HG2# ) (resid 13 and name HA ) 2.5 0.7 0.7 ! A.82 at 1.69e+06 assign (resid 13 and name HD1# ) (resid 13 and name HA ) 4.0 2.2 1.5 ! A.2650 at 6.79e+05 assign (resid 13 and name HD1# ) (resid 30 and name HG ) 4.0 2.2 2.0 ! A.3234 at 9.90e+05(wd) assign (resid 13 and name HG2# ) (resid 30 and name HG ) 4.0 2.2 2.5 ! A.3230 at 8.52e+05 assign (resid 13 and name HD1# ) (resid 30 and name HD* ) 4.0 2.2 2.0 ! A.2666 at 5.56e+05 assign (resid 13 and name HD1# ) (resid 35 and name HD1 ) 4.0 2.2 2.5 ! A.2664 at -5.18e+05(wd) assign (resid 13 and name HD1# ) (resid 35 and name HB# ) 4.0 2.2 2.5 ! A.2659 at -3.69e+05 assign (resid 13 and name HB ) (resid 37 and name HA ) 3.0 1.2 0.3 ! A.2953 at -1.43e+06 assign (resid 13 and name HB ) (resid 37 and name HG* ) 4.0 2.2 1.0 ! A.123 at -1.45e+06 assign (resid 13 and name HG2# ) (resid 37 and name HG* ) 4.0 2.2 2.5 ! A.144 at 2.07e+06 assign (resid 13 and name HG2# ) (resid 57 and name HG* ) 4.0 2.2 2.0 ! A.2913 at 9.00e+05 assign (resid 13 and name HD1# ) (resid 57 and name HG* ) 4.0 2.2 1.0 ! A.2909 at 1.33e+06 assign (resid 13 and name HD1# ) (resid 56 and name HD1# ) 4.0 2.2 2.5 ! A.292 at 6.21e+05 (Queen 050606) assign (resid 13 and name HA ) (resid 57 and name HB ) 4.0 2.2 2.0 ! A.1015 at -4.11e+05 assign (resid 13 and name HD1# ) (resid 57 and name HB ) 4.0 2.2 2.5 ! A.156 at -8.35e+05 assign (resid 13 and name HG2# ) (resid 57 and name HB ) 4.0 2.2 1.5 ! A.141 at -9.86e+05(wd) assign (resid 13 and name HG2# ) (resid 59 and name HG ) 4.0 2.2 2.5 ! A.149 at 7.82e+05 assign (resid 13 and name HD1# ) (resid 59 and name HD* ) 4.0 2.2 2.5 ! A.172 at 5.92e+05 (Queen 050606) ! L14 assign (resid 14 and name HG ) (resid 14 and name HA ) 4.0 2.2 1.0 ! A.162 at -5.06e+05 assign (resid 14 and name HD* ) (resid 14 and name HB# ) 2.5 0.7 1.2 ! A.171 at -3.63e+06 assign (resid 14 and name HA ) (resid 38 and name HB ) 4.0 2.2 1.0 ! A.576 at 7.78e+05 assign (resid 14 and name HA ) (resid 38 and name HG2# ) 4.0 2.2 2.5 ! A.159 at -3.59e+05 assign (resid 14 and name HD* ) (resid 38 and name HB ) 4.0 2.2 1.5 ! A.585 at -5.86e+05 assign (resid 14 and name HD* ) (resid 38 and name HG2# ) 4.0 2.2 2.5 ! A.600 at 1.21e+06 assign (resid 14 and name HD* ) (resid 40 and name HG ) 4.0 2.2 1.5 ! A.644 at 7.46e+06(wd,ov) assign (resid 14 and name HD* ) (resid 46 and name HA ) 4.0 2.2 2.5 ! A.749 at 8.98e+05 assign (resid 14 and name HG ) (resid 58 and name HG1# ) 4.0 2.2 1.5 ! A.775 at 2.33e+06 assign (resid 14 and name HD* ) (resid 58 and name HG1# ) 4.0 2.2 2.0 ! A.1053 at 6.95e+05 assign (resid 14 and name HB# ) (resid 58 and name HG1# ) 4.0 2.2 2.5 ! A.1047 at -3.98e+05 assign (resid 14 and name HB# ) (resid 58 and name HG2# ) 4.0 2.2 2.0 ! A.1056 at -4.80e+05 assign (resid 14 and name HB# ) (resid 58 and name HA ) 4.0 2.2 2.5 ! A.1038 at -3.97e+05 ! L15 assign (resid 15 and name HD* ) (resid 15 and name HA ) 4.0 2.2 2.0 ! A.3295 at -9.56e+05 assign (resid 15 and name HD* ) (resid 17 and name HB# ) 4.0 2.2 2.5 ! A.2694 at -3.87e+05 assign (resid 15 and name HB# ) (resid 39 and name HA ) 4.0 2.2 2.5 ! A.612 at -4.38e+05 ! L16 assign (resid 16 and name HA ) (resid 16 and name HG ) 3.0 1.2 0.3 ! A.229 at 1.13e+06 assign (resid 16 and name HA ) (resid 16 and name HD* ) 3.0 1.2 0.8 ! A.3036 at 1.93e+06 assign (resid 16 and name HD* ) (resid 16 and name HB# ) 3.0 1.2 1.3 ! A.3304 at -1.17e+06 assign (resid 16 and name HD* ) (resid 40 and name HA ) 4.0 2.2 2.5 ! A.2624 at -6.31e+05 assign (resid 16 and name HG ) (resid 46 and name HB# ) 4.0 2.2 2.5 ! A.1129 at 5.25e+05 (Queen 050606) assign (resid 16 and name HD* ) (resid 46 and name HB# ) 4.0 2.2 1.0 ! A.756 at 4.40e+06 assign (resid 16 and name HD* ) (resid 58 and name HG2# ) 4.0 2.2 1.5 ! A.1055 at 2.96e+06 assign (resid 16 and name HD* ) (resid 60 and name HG# ) 4.0 2.2 2.0 ! A.1116 at 4.67e+05 assign (resid 16 and name HB# ) (resid 60 and name HG# ) 4.0 2.2 2.5 ! A.1112 at -3.23e+05 assign (resid 16 and name HB# ) (resid 60 and name HA ) 4.0 2.2 1.5 ! A.1107 at -8.19e+05 assign (resid 16 and name HD* ) (resid 60 and name HE# ) 4.0 2.2 1.0 ! A.2828 at 7.99e+06 ! E17 assign (resid 17 and name HA ) (resid 61 and name HB# ) 2.5 0.7 0.7 ! A.274 at 1.48e+06 ! E18 ! E19 assign (resid 19 and name HG# ) (resid 19 and name HA ) 3.0 1.2 0.8 ! A.3025 at -1.13e+06 assign (resid 19 and name HG# ) (resid 21 and name HA ) 4.0 2.2 1.5 ! A.364 at -6.86e+05 ! D20 ! E21 assign (resid 21 and name HA ) (resid 24 and name HB ) 3.0 1.2 0.3 ! A.281 at 1.01e+06 assign (resid 21 and name HA ) (resid 24 and name HG2# ) 4.0 2.2 2.5 ! A.284 at 3.97e+05 ! A22 assign (resid 22 and name HA ) (resid 25 and name HB ) 3.0 1.2 0.3 ! A.14 at 1.27e+06 assign (resid 22 and name HB# ) (resid 25 and name HB ) 4.0 2.2 2.5 ! A.2743 at 3.42e+05 assign (resid 22 and name HA ) (resid 25 and name HG* ) 4.0 2.2 1.5 ! A.17 at 5.64e+05 ! assign (resid 22 and name HA ) (resid 112 and name HG ) 4.0 2.2 1.0 ! A.3327 at 5.85e+05 (Queen 041706) ! A23 assign (resid 23 and name HA ) (resid 26 and name HB ) 4.0 2.2 2.0 ! A.296 at 3.50e+05 ! assign (resid 23 and name HA ) (resid 111 and name HB# ) 4.0 2.2 2.5 ! A.3177 at -8.91e+05 (Queen 042306) ! T24 assign (resid 24 and name HG2# ) (resid 24 and name HA ) 3.0 1.2 0.8 ! A.300 at 1..77e+06 assign (resid 24 and name HA ) (resid 27 and name HB# ) 4.0 2.2 1.5 ! A.301 at 6.83e+05 ! V25 assign (resid 25 and name HG* ) (resid 25 and name HA ) 3.0 1.2 0.8 ! A.6 at 3.80e+06 ! assign (resid 25 and name HG* ) (resid 25 and name HA ) 2.5 0.7 0.7 ! A.7 at 2.79e+06 assign (resid 25 and name HG* ) (resid 26 and name HA ) 4.0 2.2 2.5 ! A.327 at 4.96e+05 assign (resid 25 and name HA ) (resid 28 and name HB# ) 3.0 1.2 0.8 ! A.4 at 9.01e+05 ! V26 assign (resid 26 and name HG* ) (resid 26 and name HA ) 2.5 0.7 0.7 ! A.336 at 2.33e+06 ! C27 assign (resid 27 and name HB# ) (resid 37 and name HG* ) 4.0 2.2 2.5 ! A.2751 at 3.07e+05 assign (resid 27 and name HA ) (resid 37 and name HG* ) 4.0 2.2 1.0 ! A.3376 at 1.64e+06 assign (resid 27 and name HA ) (resid 37 and name HB ) 4.0 2.2 2.0 ! A.551 at -4.07e+05 ! E28 assign (resid 28 and name HG# ) (resid 29 and name HB# ) 4.0 2.2 2.5 ! A.2758 at -8.85e+05 assign (resid 28 and name HA ) (resid 31 and name HB ) 3.0 1.2 0.3 ! A.437 at 1.45e+06 assign (resid 28 and name HA ) (resid 31 and name HG2# ) 4.0 2.2 1.5 ! A.363 at 5.47e+05 ! M29 assign (resid 29 and name HE# ) (resid 29 and name HB# ) 4.0 2.2 1.0 ! A.1201 at -1.08e+07 assign (resid 29 and name HE# ) (resid 29 and name HG# ) 4.0 2.2 2.5 ! A.2771 at 4.26e+05 assign (resid 29 and name HE# ) (resid 30 and name HD* ) 4.0 2.2 2.5 ! A.2814 at 5.42e+05 assign (resid 29 and name HA ) (resid 32 and name HB# ) 3.0 1.2 0.8 ! A.371 at 1.24e+06 ! assign (resid 29 and name HE# ) (resid 114 and name HA ) 4.0 2.2 2.5 ! A.2273 at 4.24e+05 (Queen 042806) ! L30 assign (resid 30 and name HA ) (resid 30 and name HG ) 4.0 2.2 2.0 ! A.401 at 3.76e+05 assign (resid 30 and name HA ) (resid 30 and name HD* ) 2.5 0.7 0.7 ! A.402 at 2.53e+06 ! assign (resid 30 and name HB# ) (resid 30 and name HD* ) 4.0 2.2 2.0 ! A.1693 at -6.00e+05 assign (resid 30 and name HB# ) (resid 30 and name HD* ) 4.0 2.2 2.0 ! A.1692 at -5.64e+05 ! assign (resid 30 and name HD* ) (resid 33 and name HB# ) 4.0 2.2 1.5 ! A.1691 at 9.86e+05 assign (resid 30 and name HD* ) (resid 33 and name HB# ) 4.0 2.2 1.0 ! A.457 at 1.12e+06 assign (resid 30 and name HA ) (resid 33 and name HB# ) 3.0 1.2 0.8 ! A.395 at 1.14e+06 assign (resid 30 and name HA ) (resid 35 and name HD1 ) 4.0 2.2 2.0 ! A.475 at -3.59e+05 assign (resid 30 and name HD* ) (resid 35 and name HD1 ) 4.0 2.2 1.5 ! A.480 at -5.04e+05 ! assign (resid 30 and name HB# ) (resid 37 and name HG* ) 4.0 2.2 2.0 ! A.557 at -8.08e+05 assign (resid 30 and name HB# ) (resid 37 and name HG* ) 4.0 2.2 2.0 ! A.416 at -7.77e+05 assign (resid 30 and name HD* ) (resid 117 and name HG ) 4.0 2.2 2.5 ! A.2436 at 5.30e+05 (Queen 042306 050606) assign (resid 30 and name HD* ) (resid 117 and name HA ) 4.0 2.2 2.5 ! A.2372 at 5.50e+05 (Queen 050606) ! assign (resid 30 and name HD* ) (resid 118 and name HA ) 4.0 2.2 2.5 ! A.2372 at 5.50e+05 (Queen 050606) ! T31 assign (resid 31 and name HG2# ) (resid 31 and name HA ) 2.5 0.7 0.7 ! A.426 at 3.90e+06 assign (resid 31 and name HG2# ) (resid 32 and name HA ) 4.0 2.2 2.5 ! A.439 at 3.76e+05 assign (resid 31 and name HG2# ) (resid 32 and name HB# ) 4.0 2.2 2.5 ! A.447 at 4.62e+05 assign (resid 31 and name HG2# ) (resid 36 and name HA ) 4.0 2.2 2.5 ! A.505 at 3.23e+05 assign (resid 31 and name HG2# ) (resid 37 and name HG* ) 4.0 2.2 2.5 ! A.1278 at 7.44e+05 (Queen 051406) assign (resid 31 and name HA ) (resid 37 and name HG* ) 4.0 2.2 2.5 ! A.343 at 4.21e+05 ! A32 assign (resid 32 and name HB# ) (resid 33 and name HA ) 4.0 2.2 2.5 ! A.445 at -3.23e+05 ! A33 assign (resid 33 and name HB# ) (resid 35 and name HD1 ) 4.0 2.2 1.5 ! A.456 at -1.03e+06 (wd) assign (resid 33 and name HB# ) (resid 35 and name HB# ) 4.0 2.2 2.5 ! A.2947 at -3.70e+05 assign (resid 33 and name HB# ) (resid 35 and name HE1 ) 4.0 2.2 2.0 ! A.455 at -1.02e+06 (wd,ov) assign (resid 33 and name HB# ) (resid 118 and name HD* ) 4.0 2.2 2.5 ! A.3216 at 3.63e+06 ! G34 ! F35 assign (resid 35 and name HB# ) (resid 35 and name HD1 ) 4.0 2.2 1.5 ! A.478 at 6.75e+05 assign (resid 35 and name HA ) (resid 35 and name HD1 ) 4.0 2.2 1.0 ! A.473 at -7.94e+05 ! assign (resid 35 and name HB# ) (resid 37 and name HG* ) 4.0 2.2 2.5 ! A.484 at -3.54e+05 assign (resid 35 and name HB# ) (resid 37 and name HG* ) 4.0 2.2 2.5 ! A.2946 at -5.08e+05 ! K36 assign (resid 36 and name HB# ) (resid 36 and name HD# ) 3.0 1.2 1.3 ! A.534 at -9.33e+05 assign (resid 36 and name HA ) (resid 36 and name HG# ) 4.0 2.2 1.5 ! A.514 at 8.61e+05 assign (resid 36 and name HE# ) (resid 36 and name HG# ) 4.0 2.2 2.0 ! A.178 at -7.66e+05 assign (resid 36 and name HA ) (resid 37 and name HG* ) 4.0 2.2 2.5 ! A.513 at 4.17e+05 assign (resid 36 and name HD# ) (resid 38 and name HD1# ) 4.0 2.2 2.5 ! A.910 at 3.30e+05 assign (resid 36 and name HG# ) (resid 38 and name HD1# ) 4.0 2.2 2.5 ! A.911 at 3.04e+05 assign (resid 36 and name HE# ) (resid 38 and name HD1# ) 4.0 2.2 2.5 ! A.539 at -8.18e+05 ! V37 assign (resid 37 and name HA ) (resid 37 and name HG* ) 3.0 1.2 0.8 ! A.549 at 2.98e+06 assign (resid 37 and name HG* ) (resid 38 and name HA ) 4.0 2.2 2.5 ! A.567 at 4.05e+05 assign (resid 37 and name HG* ) (resid 39 and name HA ) 4.0 2.2 2.5 ! A.618 at 3.42e+05 ! I38 assign (resid 38 and name HA ) (resid 38 and name HG1# ) 3.0 1.2 0.8 ! A.568 at 1.28e+06 assign (resid 38 and name HG2# ) (resid 38 and name HA ) 2.5 0.7 0.7 ! A.563 at 2.62e+06 assign (resid 38 and name HD1# ) (resid 38 and name HA ) 4.0 2.2 1.0 ! A.564 at 1.72e+06 assign (resid 38 and name HD1# ) (resid 38 and name HB ) 4.0 2.2 1.5 ! A.574 at -8.16e+05 assign (resid 38 and name HG2# ) (resid 53 and name HD* ) 4.0 2.2 2.0 ! A.422 at 5.84e+05 assign (resid 38 and name HD1# ) (resid 53 and name HD* ) 4.0 2.2 1.0 ! A.1120 at 8.89e+05 (Queen 050606) ! W39 assign (resid 39 and name HE3 ) (resid 39 and name HB# ) 4.0 2.2 2.5 ! A.621 at -4.30e+05 assign (resid 39 and name HA ) (resid 39 and name HD1 ) 3.0 1.2 0.8 ! A.614 at -9.68e+05 ! L40 assign (resid 40 and name HG ) (resid 40 and name HA ) 4.0 2.2 1.0 ! A.64 at -8.87e+05 assign (resid 40 and name HD* ) (resid 42 and name HA ) 4.0 2.2 2.5 ! A.3037 at -4.22e+05 assign (resid 40 and name HG ) (resid 45 and name HB ) 4.0 2.2 2.0 ! A.3392 at -4.09e+05 assign (resid 40 and name HD* ) (resid 46 and name HB# ) 4.0 2.2 1.0 ! A.647 at 3.49e+06 (wd,ov) ! V41 ! assign (resid 41 and name HA ) (resid 41 and name HG* ) 2.5 0.7 0.7 ! A.666 at 2.20e+06 assign (resid 41 and name HG* ) (resid 41 and name HA ) 4.0 2.2 1.5 ! A.660 at 6.69e+05 assign (resid 41 and name HG* ) (resid 42 and name HB# ) 4.0 2.2 2.0 ! A.683 at -5.32e+05 ! D42 ! G43 assign (resid 43 and name HA# ) (resid 46 and name HB# ) 4.0 2.2 2.0 ! A.703 at -7.58e+05 ! S44 assign (resid 44 and name HA ) (resid 47 and name HD* ) 4.0 2.2 1.5 ! A.716 at 7.02e+05 assign (resid 44 and name HA ) (resid 47 and name HB# ) 4.0 2.2 1.5 ! A.717 at -7.02e+05 assign (resid 44 and name HB# ) (resid 47 and name HB# ) 4.0 2.2 2.0 ! A.724 at -7.71e+05 ! T45 assign (resid 45 and name HG2# ) (resid 45 and name HA ) 2.5 0.7 0.7 ! A.734 at 3.62e+06 assign (resid 45 and name HB ) (resid 48 and name HB# ) 4.0 2.2 2.5 ! A.3090 at -3.18e+05 assign (resid 45 and name HA ) (resid 48 and name HB# ) 4.0 2.2 1.5 ! A.736 at -6.69e+05 assign (resid 45 and name HG2# ) (resid 49 and name HG# ) 4.0 2.2 2.0 ! A.742 at -8.32e+05 ! A46 assign (resid 46 and name HA ) (resid 49 and name HB# ) 4.0 2.2 1.5 ! A.747 at 5.23e+05 ! L47 assign (resid 47 and name HA ) (resid 47 and name HG ) 4.0 2.2 1.0 ! A.767 at 6.62e+05 assign (resid 47 and name HA ) (resid 47 and name HD* ) 2.5 0.7 0.7 ! A.779 at 2.56e+06 assign (resid 47 and name HB# ) (resid 47 and name HD* ) 2.5 0.7 1.2 ! A.781 at -4.68e+06 assign (resid 47 and name HB# ) (resid 48 and name HB# ) 4.0 2.2 1.5 ! A.2360 at -1.12e+06 assign (resid 47 and name HD* ) (resid 71 and name HG ) 4.0 2.2 2.5 ! A.790 at 4.93e+05 assign (resid 47 and name HD* ) (resid 71 and name HB# ) 4.0 2.2 2.0 ! A.789 at -7.73e+05 assign (resid 47 and name HG ) (resid 72 and name HD* ) 4.0 2.2 2.5 ! A.2686 at 6.47e+06 (wd) (Queen 050606) assign (resid 47 and name HD* ) (resid 72 and name HA ) 3.0 1.2 0.8 ! A.780 at 1.53e+06 assign (resid 47 and name HD* ) (resid 75 and name HB# ) 4.0 2.2 2.5 ! A.778 at 7.08e+05 assign (resid 47 and name HD* ) (resid 75 and name HD2 ) 4.0 2.2 2.5 ! A.1177 at 3.75e+05 (Queen 050606) ! D48 ! Q49 assign (resid 49 and name HG# ) (resid 52 and name HD* ) 4.0 2.2 2.5 ! A.922 at -4.91e+05 ! L50 assign (resid 50 and name HB# ) (resid 50 and name HD* ) 2.5 0.7 1.2 ! A.839 at -2.54e+06 assign (resid 50 and name HA ) (resid 50 and name HD* ) 3.0 1.2 1.3 ! A.830 at 1.73e+06 assign (resid 50 and name HG ) (resid 53 and name HB# ) 4.0 2.2 2.0 ! A.847 at -5.45e+05 assign (resid 50 and name HG ) (resid 53 and name HG ) 3.0 1.2 1.0 ! A.895 at 1.98e+06 (wd) assign (resid 50 and name HG ) (resid 54 and name HA ) 4.0 2.2 2.0 ! A.3416 at 6.25e+05 assign (resid 50 and name HD* ) (resid 54 and name HA ) 4.0 2.2 2.5 ! A.913 at 4.29e+05 assign (resid 50 and name HD* ) (resid 55 and name HD# ) 4.0 2.2 2.0 ! A.2244 at -6.04e+05 assign (resid 50 and name HA ) (resid 55 and name HD# ) 4.0 2.2 2.5 ! A.827 at -4.71e+05 (wd) ! Queen 041706 ! assign (resid 50 and name HD* ) (resid 75 and name HD2 ) 4.0 2.2 2.5 ! A.3491 at -1.36e+06 (wd,ov) ! D51 ! L52 assign (resid 52 and name HA ) (resid 52 and name HG ) 3.0 1.2 0.3 ! A.642 at 1.12e+06 ! L53 assign (resid 53 and name HA ) (resid 53 and name HG ) 4.0 2.2 1.0 ! A.884 at 6.79e+05 assign (resid 53 and name HD* ) (resid 53 and name HB# ) 3.0 1.2 1.3 ! A.892 at -1.03e+06 assign (resid 53 and name HA ) (resid 53 and name HD* ) 4.0 2.2 1.0 ! A.883 at 2.91e+06 (wd) assign (resid 53 and name HG ) (resid 54 and name HG# ) 4.0 2.2 2.5 ! A.3424 at -7.34e+05 assign (resid 53 and name HB# ) (resid 55 and name HD# ) 4.0 2.2 2.0 ! A.888 at 4.72e+05 ! Q54 assign (resid 54 and name HG# ) (resid 54 and name HA ) 2.5 0.7 0.7 ! A.20 at -1.57e+06 assign (resid 54 and name HA ) (resid 55 and name HD# ) 3.0 1.2 0.8 ! A.915 at -9.84e+05 ! P55 assign (resid 55 and name HA ) (resid 55 and name HG# ) 4.0 2.2 2.5 ! A.944 at 3.89e+05 assign (resid 55 and name HD# ) (resid 56 and name HA ) 4.0 2.2 2.5 ! A.3275 at -3.76e+05 assign (resid 55 and name HG# ) (resid 58 and name HD1# ) 4.0 2.2 2.5 ! A.953 at 3.11e+05 ! I56 assign (resid 56 and name HA ) (resid 56 and name HG1# ) 4.0 2.2 2.5 ! A.987 at 4.27e+05 assign (resid 56 and name HD1# ) (resid 56 and name HA ) 4.0 2.2 1.5 ! A.974 at 6.21e+05 assign (resid 56 and name HG2# ) (resid 56 and name HA ) 2.5 0.7 0.7 ! A.973 at 2.58e+06 assign (resid 56 and name HD1# ) (resid 56 and name HB ) 2.5 0.7 0.7 ! A.980 at -1.62e+06 assign (resid 56 and name HA ) (resid 57 and name HG* ) 4.0 2.2 2.5 ! A.970 at 4.71e+05 assign (resid 56 and name HB ) (resid 57 and name HG* ) 4.0 2.2 2.5 ! A.979 at -8.39e+05 ! assign (resid 56 and name HA ) (resid 86 and name HB# ) 3.0 1.2 1.0 ! A.969 at 1.47e+06 (Queen 042306) assign (resid 56 and name HB ) (resid 124 and name HD* ) 4.0 2.2 2.0 ! A.2911 at -7.70e+05 assign (resid 56 and name HD1# ) (resid 124 and name HD* ) 4.0 2.2 2.5 ! A.1001 at 1.17e+06 ! Queen add I56 041706 assign (resid 56 and name HA ) (resid 124 and name HD* ) 4.0 2.2 2.5 ! A.413 at 4.71e+05 assign (resid 56 and name HG2# ) (resid 124 and name HD* ) 4.0 2.2 1.5 ! A.433 at -7.70e+05 ! V57 assign (resid 57 and name HG* ) (resid 59 and name HD* ) 3.0 1.2 1.0 ! A.3001 at 2.60e+06 assign (resid 57 and name HA ) (resid 87 and name HB# ) 4.0 2.2 2.5 ! A.1027 at -3.79e+05 assign (resid 57 and name HG* ) (resid 87 and name HA ) 4.0 2.2 2.5 ! A.1702 at 4.08e+05 ! I58 assign (resid 58 and name HA ) (resid 58 and name HG1# ) 4.0 2.2 1.5 ! A.1043 at 5.65e+05 assign (resid 58 and name HG2# ) (resid 58 and name HA ) 3.0 1.2 0.8 ! A.1036 at 1.24e+06 assign (resid 58 and name HD1# ) (resid 58 and name HA ) 4.0 2.2 2.5 ! A.1037 at 3.30e+05 assign (resid 58 and name HG2# ) (resid 60 and name HE# ) 4.0 2.2 1.5 ! A.2888 at 1.05e+06 assign (resid 58 and name HG2# ) (resid 60 and name HB# ) 4.0 2.2 2.0 ! A.1066 at -6.85e+05 assign (resid 58 and name HG2# ) (resid 60 and name HA ) 4.0 2.2 2.5 ! A.1110 at 3.18e+05 assign (resid 58 and name HD1# ) (resid 86 and name HB# ) 4.0 2.2 2.0 ! A.1073 at 8.68e+05 assign (resid 58 and name HD1# ) (resid 86 and name HG# ) 3.0 1.2 1.3 ! A.1074 at 1.32e+06 assign (resid 58 and name HB ) (resid 87 and name HB# ) 4.0 2.2 2.5 ! A.3419 at 9.39e+05(widened) assign (resid 58 and name HB ) (resid 88 and name HG* ) 4.0 2.2 1.5 ! A.1052 at -1.20e+06 assign (resid 58 and name HG2# ) (resid 88 and name HG* ) 4.0 2.2 2.5 ! A.1064 at 4.22e+05 ! assign (resid 58 and name HG2# ) (resid 88 and name HG* ) 4.0 2.2 2.0 ! A.1059 at 6.51e+05 ! assign (resid 58 and name HB ) (resid 88 and name HG* ) 4.0 2.2 1.5 ! A.1720 at -4.71e+05 assign (resid 58 and name HD1# ) (resid 88 and name HG* ) 4.0 2.2 2.5 ! A.1077 at 9.74e+05 ! L59 assign (resid 59 and name HG ) (resid 59 and name HA ) 4.0 2.2 1.0 ! A.1083 at -5.93e+05 ! assign (resid 59 and name HD* ) (resid 59 and name HA ) 3.0 1.2 0.8 ! A.1082 at -1.38e+06 assign (resid 59 and name HB# ) (resid 59 and name HD* ) 4.0 2.2 2.0 ! A.2998 at -7.37e+05 assign (resid 59 and name HA ) (resid 59 and name HD* ) 4.0 2.2 1.0 ! A.1087 at -1.42e+06 ! M60 assign (resid 60 and name HA ) (resid 60 and name HG# ) 4.0 2.2 1.5 ! A.1114 at 7.09e+05 assign (resid 60 and name HE# ) (resid 60 and name HG# ) 4.0 2.2 2.0 ! A.2791 at 6.12e+05 assign (resid 60 and name HA ) (resid 60 and name HE# ) 4.0 2.2 1.5 ! A.2815 at 4.69e+05 assign (resid 60 and name HE# ) (resid 69 and name HB# ) 4.0 2.2 2.0 ! A.1282 at 6.78e+05 assign (resid 60 and name HE# ) (resid 69 and name HA ) 4.0 2.2 1.5 ! A.1274 at 8.32e+05 assign (resid 60 and name HE# ) (resid 72 and name HG ) 4.0 2.2 2.5 ! A.2679 at 3.88e+05 assign (resid 60 and name HE# ) (resid 72 and name HD* ) 4.0 2.2 1.5 ! A.2889 at 5.39e+06 assign (resid 60 and name HE# ) (resid 73 and name HG ) 4.0 2.2 2.5 ! A.2823 at 1.43e+06 (wd) assign (resid 60 and name HE# ) (resid 73 and name HD* ) 4.0 2.2 2.5 ! A.2824 at 2.37e+06 assign (resid 60 and name HB# ) (resid 90 and name HD# ) 4.0 2.2 2.5 ! A.1817 at 3.39e+05 ! A61 assign (resid 61 and name HB# ) (resid 63 and name HD# ) 4.0 2.2 2.0 ! A.3467 at -7.75e+05 assign (resid 61 and name HA ) (resid 91 and name HB# ) 4.0 2.2 1.5 ! A.1095 at 7.99e+05 assign (resid 61 and name HA ) (resid 91 and name HD* ) 4.0 2.2 1.5 ! A.1086 at -5.10e+05 assign (resid 61 and name HB# ) (resid 91 and name HB# ) 4.0 2.2 2.5 ! A.1138 at -3.25e+05 ! W62 assign (resid 62 and name HD1 ) (resid 62 and name HB# ) 4.0 2.2 1.5 ! A.1144 at -4.41e+05 assign (resid 62 and name HZ2 ) (resid 70 and name HD* ) 4.0 2.2 1.5 ! A.1302 at 5.02e+05 assign (resid 62 and name HH2 ) (resid 70 and name HD* ) 4.0 2.2 1.5 ! A.1242 at -4.69e+05 ! assign (resid 62 and name HH2 ) (resid 70 and name HD* ) 2.5 0.7 0.7 ! A.2867 at -1.64e+06 assign (resid 62 and name HZ3 ) (resid 70 and name HD* ) 4.0 2.2 2.5 ! A.3067 at -3.81e+05 assign (resid 62 and name HH2 ) (resid 73 and name HG ) 4.0 2.2 2.0 ! A.1326 at -3.91e+05 assign (resid 62 and name HZ3 ) (resid 73 and name HG ) 4.0 2.2 1.0 ! A.2939 at -6.11e+05 assign (resid 62 and name HD1 ) (resid 93 and name HB# ) 4.0 2.2 1.5 ! A.1149 at -5.21e+05 assign (resid 62 and name HZ2 ) (resid 100 and name HD* ) 4.0 2.2 1.5 ! A.2002 at 7.68e+05 ! P63 assign (resid 63 and name HA ) (resid 64 and name HD# ) 3.0 1.2 0.8 ! A.107 at -2.10e+06 ! P64 assign (resid 64 and name HB# ) (resid 65 and name HD# ) 4.0 2.2 2.5 ! A.1206 at -3.80e+05 assign (resid 64 and name HA ) (resid 65 and name HD# ) 3.0 1.2 0.8 ! A.1173 at -1.14e+06 ! P65 assign (resid 65 and name HA ) (resid 65 and name HD# ) 4.0 2.2 2.5 ! A.1217 at -3.27e+05 assign (resid 65 and name HA ) (resid 65 and name HG# ) 4.0 2.2 1.5 ! A.1210 at 5.30e+05 ! D66 ! Q67 assign (resid 67 and name HG# ) (resid 67 and name HA ) 2.5 0.7 0.7 ! A.1230 at -1.55e+06 assign (resid 67 and name HB# ) (resid 70 and name HD* ) 4.0 2.2 2.5 ! A.1235 at 3.45e+05 assign (resid 67 and name HB# ) (resid 70 and name HB# ) 4.0 2.2 2.5 ! A.1315 at -3.02e+05 assign (resid 67 and name HA ) (resid 70 and name HG ) 4.0 2.2 1.0 ! A.1231 at 8.74e+05 assign (resid 67 and name HA ) (resid 70 and name HD* ) 3.0 1.2 0.8 ! A.1233 at 1.20e+06 assign (resid 67 and name HG# ) (resid 70 and name HD* ) 4.0 2.2 2.0 ! A.1250 at -6.74e+05 ! S68 assign (resid 68 and name HA ) (resid 71 and name HG ) 4.0 2.2 1.0 ! A.1257 at 8.86e+05 assign (resid 68 and name HA ) (resid 71 and name HD* ) 3.0 1.2 0.8 ! A.1259 at 1.43e+06 assign (resid 68 and name HB# ) (resid 71 and name HD* ) 4.0 2.2 2.5 ! A.1266 at 3.20e+05 ! assign (resid 68 and name HA ) (resid 71 and name HD* ) 4.0 2.2 2.5 ! A.1260 at 3.99e+05 assign (resid 68 and name HA ) (resid 71 and name HB# ) 4.0 2.2 1.5 ! A.862 at -4.44e+05 ! C69 assign (resid 69 and name HA ) (resid 72 and name HD* ) 4.0 2.2 2.0 ! A.1279 at 7.92e+05 assign (resid 69 and name HA ) (resid 72 and name HB# ) 4.0 2.2 1.5 ! A.1278 at -4.93e+05 ! L70 assign (resid 70 and name HA ) (resid 70 and name HG ) 3.0 1.2 0.3 ! A.1238 at 9.53e+05 ! assign (resid 70 and name HB# ) (resid 70 and name HD* ) 2.5 0.7 1.2 ! A.1244 at -1.91e+06 assign (resid 70 and name HA ) (resid 70 and name HD* ) 2.5 0.7 0.7 ! A.1297 at 3.41e+06 assign (resid 70 and name HB# ) (resid 70 and name HD* ) 3.0 1.2 1.3 ! A.1298 at -1.13e+06 assign (resid 70 and name HD* ) (resid 73 and name HG ) 4.0 2.2 2.0 ! A.1324 at 1.37e+06 ! assign (resid 70 and name HD* ) (resid 100 and name HD* ) 4.0 2.2 1.0 ! A.1323 at 1.39e+06 (Queen 042306) ! L71 assign (resid 71 and name HA ) (resid 71 and name HG ) 4.0 2.2 1.0 ! A.864 at 7.54e+05 assign (resid 71 and name HA ) (resid 71 and name HD* ) 4.0 2.2 1.0 ! A.1341 at 9.52e+05 ! assign (resid 71 and name HB# ) (resid 71 and name HD* ) 2.5 0.7 1.2 ! A.1342 at -2.07e+06 assign (resid 71 and name HB# ) (resid 71 and name HD* ) 2.5 0.7 1.2 ! A.1337 at -2.72e+06 assign (resid 71 and name HA ) (resid 74 and name HB# ) 3.0 1.2 0.8 ! A.1455 at 1.45e+06 ! L72 assign (resid 72 and name HA ) (resid 72 and name HG ) 4.0 2.2 1.0 ! A.1354 at 7.44e+05 assign (resid 72 and name HA ) (resid 72 and name HD* ) 4.0 2.2 1.5 ! A.1376 at 6.78e+05 ! assign (resid 72 and name HB# ) (resid 72 and name HD* ) 3.0 1.2 1.3 ! A.1375 at -1.19e+06 ! assign (resid 72 and name HA ) (resid 72 and name HD* ) 4.0 2.2 1.0 ! A.2294 at 9.71e+05 assign (resid 72 and name HB# ) (resid 72 and name HD* ) 4.0 2.2 2.0 ! A.1374 at -7.26e+05 assign (resid 72 and name HA ) (resid 75 and name HB# ) 4.0 2.2 1.5 ! A.1368 at 5.08e+05 assign (resid 72 and name HD* ) (resid 75 and name HB# ) 4.0 2.2 2.5 ! A.1383 at 3.32e+05 ! L73 assign (resid 73 and name HA ) (resid 73 and name HG ) 4.0 2.2 1.0 ! A.1397 at 5.15e+05 assign (resid 73 and name HA ) (resid 73 and name HD* ) 2.5 0.7 0.7 ! A.1405 at 2.52e+06 ! assign (resid 73 and name HB# ) (resid 73 and name HD* ) 3.0 1.2 1.3 ! A.1411 at -1.16e+06 assign (resid 73 and name HB# ) (resid 73 and name HD* ) 4.0 2.2 2.0 ! A.1410 at -7.34e+05 ! Queen 041706 Queen 042306 restore assign (resid 73 and name HD* ) (resid 88 and name HG* ) 4.0 2.2 2.5 ! A.1416 at 1.58e+06 assign (resid 73 and name HG ) (resid 88 and name HG* ) 4.0 2.2 2.5 ! A.1717 at 3.14e+05 assign (resid 73 and name HD* ) (resid 90 and name HE# ) 4.0 2.2 2.5 ! A.3488 at -6.13e+05 assign (resid 73 and name HG ) (resid 90 and name HE# ) 4.0 2.2 2.5 ! A.3511 at -1.01e+06 (widened) ! Q74 assign (resid 74 and name HG# ) (resid 74 and name HA ) 2.5 0.7 0.7 ! A.1439 at -2.11e+06 assign (resid 74 and name HA ) (resid 77 and name HB# ) 4.0 2.2 2.5 ! A.1526 at 3.01e+05 ! H75 assign (resid 75 and name HD2 ) (resid 75 and name HB# ) 4.0 2.2 2.5 ! A.1486 at -3.02e+05 assign (resid 75 and name HD2 ) (resid 76 and name HD* ) 4.0 2.2 2.5 ! A.1487 at -8.83e+05 assign (resid 75 and name HD2 ) (resid 76 and name HA ) 4.0 2.2 2.0 ! A.1476 at -3.66e+05 assign (resid 75 and name HA ) (resid 78 and name HB# ) 4.0 2.2 2.5 ! A.1542 at 4.02e+05 assign (resid 75 and name HA ) (resid 79 and name HD2 ) 4.0 2.2 2.5 ! A.1462 at -4.47e+05 ! L76 assign (resid 76 and name HA ) (resid 79 and name HB# ) 4.0 2.2 2.5 ! A.1478 at 3.78e+05 ! Queen 042306 ! assign (resid 76 and name HD* ) (resid 86 and name HD# ) 4.0 2.2 2.5 ! A.1499 at -5.72e+05 ! R77 assign (resid 77 and name HD# ) (resid 77 and name HB# ) 4.0 2.2 2.0 ! A.1524 at -6.23e+05 assign (resid 77 and name HA ) (resid 77 and name HG# ) 4.0 2.2 1.5 ! A.1529 at 6.65e+05 assign (resid 77 and name HA ) (resid 80 and name HB# ) 4.0 2.2 1.5 ! A.1513 at 8.99e+05 ! E78 assign (resid 78 and name HG# ) (resid 78 and name HA ) 2.5 0.7 0.7 ! A.1539 at -1.86e+06 ! H79 ! Q80 assign (resid 80 and name HG# ) (resid 81 and name HB# ) 4.0 2.2 2.5 ! A.1561 at -3.22e+05 ! A81 ! D82 assign (resid 82 and name HA ) (resid 83 and name HG# ) 4.0 2.2 1.5 ! A.1603 at 6.79e+05 assign (resid 82 and name HB# ) (resid 83 and name HD# ) 4.0 2.2 1.0 ! A.1188 at 9.29e+05 ! P83 assign (resid 83 and name HD# ) (resid 83 and name HB# ) 4.0 2.2 2.0 ! A.1582 at -5.09e+05 assign (resid 83 and name HA ) (resid 83 and name HD# ) 4.0 2.2 2.5 ! A.1595 at -3.70e+05 assign (resid 83 and name HA ) (resid 83 and name HG# ) 3.0 1.2 0.8 ! A.1592 at 1.26e+06 assign (resid 83 and name HB# ) (resid 84 and name HD2 ) 4.0 2.2 2.5 ! A.1585 at -3.70e+05 ! assign (resid 83 and name HB# ) (resid 85 and name HD# ) 4.0 2.2 2.5 ! A.3125 at -9.47e+05 (wd) ! H84 assign (resid 84 and name HA ) (resid 85 and name HD# ) 3.0 1.2 0.8 ! A.101 at -3.20e+06 ! P85 assign (resid 85 and name HA ) (resid 85 and name HG# ) 4.0 2.2 1.5 ! A.1630 at 7.04e+05 assign (resid 85 and name HD# ) (resid 85 and name HA ) 2.5 0.7 0.7 ! A.1614 at -3.82e+06 ! P86 assign (resid 86 and name HD# ) (resid 86 and name HA ) 4.0 2.2 1.5 ! A.1635 at -6.06e+05 assign (resid 86 and name HG# ) (resid 87 and name HA ) 4.0 2.2 2.5 ! A.1658 at 6.57e+05 assign (resid 86 and name HB# ) (resid 87 and name HA ) 4.0 2.2 1.5 ! A.2575 at 6.83e+05 ! L87 assign (resid 87 and name HA ) (resid 87 and name HD* ) 3.0 1.2 0.8 ! A.1676 at 4.10e+06 ! (Queen 042306) ! assign (resid 87 and name HG ) (resid 124 and name HA ) 4.0 2.2 1.0 ! A.2398 at 6.15e+05 ! assign (resid 87 and name HG ) (resid 124 and name HB# ) 4.0 2.2 2.0 ! A.3584 at -5.99e+05 ! V88 ! assign (resid 88 and name HA ) (resid 88 and name HG* ) 2.5 0.7 0.7 ! A.1703 at 1.54e+06 assign (resid 88 and name HA ) (resid 88 and name HG* ) 3.0 1.2 0.8 ! A.1429 at 1.26e+06 assign (resid 88 and name HG* ) (resid 90 and name HE# ) 4.0 2.2 2.0 ! A.1713 at -4.63e+05 assign (resid 88 and name HG* ) (resid 103 and name HG# ) 4.0 2.2 2.5 ! A.1430 at -3.81e+05 assign (resid 88 and name HG* ) (resid 104 and name HA ) 4.0 2.2 1.5 ! A.1704 at -4.45e+05 assign (resid 88 and name HG* ) (resid 104 and name HB# ) 4.0 2.2 2.5 ! A.2120 at 1.11e+06 assign (resid 88 and name HB ) (resid 104 and name HB# ) 4.0 2.2 2.5 ! A.1696 at -3.50e+05 ! L89 assign (resid 89 and name HA ) (resid 89 and name HG ) 3.0 1.2 0.3 ! A.1743 at 9.09e+05 ! assign (resid 89 and name HA ) (resid 89 and name HD* ) 4.0 2.2 1.5 ! A.1755 at 5.69e+05 assign (resid 89 and name HB# ) (resid 89 and name HD* ) 2.5 0.7 1.2 ! A.1759 at -1.98e+06 ! assign (resid 89 and name HD* ) (resid 89 and name HB# ) 2.5 0.7 1.2 ! A.183 at -1.54e+06 assign (resid 89 and name HA ) (resid 89 and name HD* ) 4.0 2.2 1.5 ! A.1768 at 6.71e+05 assign (resid 89 and name HA ) (resid 104 and name HB# ) 4.0 2.2 1.5 ! A.1728 at 5.45e+05 assign (resid 89 and name HD* ) (resid 105 and name HB# ) 4.0 2.2 2.5 ! A.1756 at 4.10e+05 assign (resid 89 and name HG ) (resid 106 and name HB# ) 3.0 1.2 1.3 ! A.1744 at 1.47e+06 ! assign (resid 89 and name HD* ) (resid 106 and name HB# ) 4.0 2.2 1.5 ! A.1766 at 3.66e+06 assign (resid 89 and name HD* ) (resid 106 and name HB# ) 4.0 2.2 1.0 ! A.1748 at 1.12e+06 assign (resid 89 and name HA ) (resid 106 and name HB# ) 4.0 2.2 2.5 ! A.1789 at 3.27e+05 ! assign (resid 89 and name HD* ) (resid 120 and name HG2# ) 4.0 2.2 1.0 ! A.1757 at 2.52e+06 ! assign (resid 89 and name HD* ) (resid 120 and name HG2# ) 4.0 2.2 2.5 ! A.1774 at 9.33e+06 (Queen 042806) ! F90 assign (resid 90 and name HB# ) (resid 90 and name HD# ) 4.0 2.2 2.5 ! A.1811 at 4.28e+05 assign (resid 90 and name HA ) (resid 90 and name HD# ) 3.0 1.2 0.8 ! A.1809 at -9.46e+05 assign (resid 90 and name HE# ) (resid 104 and name HB# ) 3.0 1.2 0.8 ! A.1821 at -1.32e+06 assign (resid 90 and name HD# ) (resid 104 and name HB# ) 3.0 1.2 0.8 ! A.1820 at -1.27e+06 assign (resid 90 and name HD# ) (resid 107 and name HG1# ) 4.0 2.2 2.5 ! A.2841 at -3.17e+05 assign (resid 90 and name HB# ) (resid 107 and name HG1# ) 4.0 2.2 2.5 ! A.1802 at -3.30e+05 assign (resid 90 and name HD# ) (resid 107 and name HD1# ) 4.0 2.2 2.0 ! A.1813 at -7.81e+05 assign (resid 90 and name HB# ) (resid 107 and name HG2# ) 4.0 2.2 2.5 ! A.1796 at -4.17e+05 ! L91 assign (resid 91 and name HG ) (resid 91 and name HA ) 4.0 2.2 1.0 ! A.1832 at -4.74e+05 ! assign (resid 91 and name HD* ) (resid 91 and name HA ) 2.5 0.7 1.0 ! A.1833 at -2.89e+06 assign (resid 91 and name HD* ) (resid 91 and name HA ) 4.0 2.2 1.0 ! A.1834 at -1.22e+06 assign (resid 91 and name HB# ) (resid 91 and name HD* ) 3.0 1.2 1.3 ! A.1862 at -1.44e+06 ! assign (resid 91 and name HB# ) (resid 91 and name HD* ) 2.5 0.7 1.2 ! A.1101 at -1.57e+06 assign (resid 91 and name HA ) (resid 108 and name HB# ) 4.0 2.2 2.5 ! A.2168 at 4.37e+05 ! G92 assign (resid 92 and name HA# ) (resid 109 and name HA ) 4.0 2.2 2.5 ! A.1872 at -3.93e+05 ! E93 assign (resid 93 and name HG# ) (resid 94 and name HD# ) 4.0 2.2 2.5 ! A.249 at 3.32e+05 assign (resid 93 and name HA ) (resid 94 and name HG# ) 4.0 2.2 2.5 ! A.1878 at 4.21e+05 ! P94 assign (resid 94 and name HD# ) (resid 94 and name HB# ) 4.0 2.2 2.0 ! A.1884 at -7.93e+05 assign (resid 94 and name HA ) (resid 94 and name HG# ) 4.0 2.2 2.5 ! A.1930 at 4.10e+05 assign (resid 94 and name HA ) (resid 95 and name HD# ) 3.0 1.2 0.8 ! A.1906 at -1.29e+06 assign (resid 94 and name HB# ) (resid 107 and name HG2# ) 4.0 2.2 2.5 ! A.2158 at 4.27e+05 assign (resid 94 and name HB# ) (resid 107 and name HD1# ) 4.0 2.2 2.0 ! A.1940 at 7.51e+05 assign (resid 94 and name HG# ) (resid 107 and name HG2# ) 4.0 2.2 2.5 ! A.3204 at 3.81e+05 assign (resid 94 and name HA ) (resid 107 and name HD1# ) 3.0 1.2 0.8 ! A.1899 at 1.22e+06 assign (resid 94 and name HA ) (resid 107 and name HG2# ) 3.0 1.2 0.8 ! A.1918 at 1.27e+06 assign (resid 94 and name HD# ) (resid 107 and name HG2# ) 4.0 2.2 2.0 ! A.2150 at -5.38e+05 ! P95 assign (resid 95 and name HB# ) (resid 100 and name HD* ) 4.0 2.2 2.0 ! A.1966 at 4.56e+05 assign (resid 95 and name HB# ) (resid 100 and name HB# ) 4.0 2.2 2.5 ! A.1953 at -3.25e+05 assign (resid 95 and name HD# ) (resid 101 and name HG2# ) 4.0 2.2 2.5 ! A.1924 at -6.56e+05 assign (resid 95 and name HD# ) (resid 107 and name HD1# ) 4.0 2.2 2.0 ! A.1909 at -5.68e+05 ! V96 assign (resid 96 and name HG* ) (resid 96 and name HA ) 2.5 0.7 0.7 ! A.1982 at 4.83e+06 ! assign (resid 96 and name HA ) (resid 96 and name HG* ) 2.5 0.7 0.7 ! A.1985 at 2.17e+06 ! assign (resid 96 and name HG* ) (resid 97 and name HA ) 4.0 2.2 2.5 ! A.1990 at -3.37e+05 assign (resid 96 and name HG* ) (resid 97 and name HA ) 4.0 2.2 2.5 ! A.1994 at -3.00e+05 assign (resid 96 and name HB ) (resid 100 and name HD* ) 4.0 2.2 2.5 ! A.3105 at 4.38e+05 ! D97 assign (resid 97 and name HA ) (resid 98 and name HD# ) 2.5 0.7 0.7 ! A.1993 at 2.88e+06 assign (resid 97 and name HA ) (resid 98 and name HG# ) 4.0 2.2 1.5 ! A.1995 at -9.83e+05 (wd) assign (resid 97 and name HB# ) (resid 100 and name HG ) 4.0 2.2 1.5 ! A.1998 at -6.57e+05 assign (resid 97 and name HB# ) (resid 100 and name HD* ) 3.0 1.2 1.3 ! A.1999 at -1.18e+06 assign (resid 97 and name HA ) (resid 100 and name HB# ) 4.0 2.2 2.5 ! A.2061 at -3.17e+05 ! P98 assign (resid 98 and name HD# ) (resid 98 and name HB# ) 4.0 2.2 2.0 ! A.936 at -5.48e+05 assign (resid 98 and name HA ) (resid 98 and name HD# ) 4.0 2.2 2.5 ! A.3520 at -2.90e+05 assign (resid 98 and name HA ) (resid 98 and name HG# ) 3.0 1.2 0.8 ! A.2015 at 1.17e+06 assign (resid 98 and name HB# ) (resid 101 and name HB ) 4.0 2.2 2.5 ! A.3527 at 3.52e+05 assign (resid 98 and name HA ) (resid 101 and name HB ) 2.5 0.7 0.7 ! A.2004 at 2.23e+06 (wd) assign (resid 98 and name HA ) (resid 101 and name HG2# ) 4.0 2.2 1.5 ! A.2080 at 7.81e+05 ! L99 assign (resid 99 and name HA ) (resid 99 and name HG ) 4.0 2.2 1.0 ! A.2041 at 7.63e+05 assign (resid 99 and name HA ) (resid 99 and name HD* ) 4.0 2.2 1.0 ! A.2043 at 3.31e+06 assign (resid 99 and name HD* ) (resid 99 and name HB# ) 2.5 0.7 1.2 ! A.2036 at -2.13e+06 assign (resid 99 and name HA ) (resid 102 and name HB# ) 3.0 1.2 1.0 ! A.1480 at 1.82e+06 (wd) ! L100 assign (resid 100 and name HA ) (resid 100 and name HG ) 4.0 2.2 1.0 ! A.2001 at 7.30e+05 assign (resid 100 and name HA ) (resid 100 and name HD* ) 4.0 2.2 1.5 ! A.1960 at 6.85e+05 ! assign (resid 100 and name HA ) (resid 100 and name HD* ) 2.5 0.7 1.0 ! A.2068 at 2.85e+06 assign (resid 100 and name HA ) (resid 103 and name HG# ) 4.0 2.2 1.5 ! A.2072 at -6.98e+05 ! T101 assign (resid 101 and name HG2# ) (resid 101 and name HA ) 2.5 0.7 0.7 ! A.1827 at 2.42e+06 assign (resid 101 and name HG2# ) (resid 102 and name HB# ) 4.0 2.2 2.5 ! A.2032 at 3.94e+05 assign (resid 101 and name HA ) (resid 104 and name HB# ) 4.0 2.2 1.5 ! A.2074 at 7.38e+05 assign (resid 101 and name HG2# ) (resid 104 and name HB# ) 4.0 2.2 2.5 ! A.2082 at 4.06e+05 assign (resid 101 and name HA ) (resid 107 and name HD1# ) 4.0 2.2 2.5 ! A.1915 at 7.68e+05 ! A102 assign (resid 102 and name HB# ) (resid 103 and name HA ) 4.0 2.2 2.5 ! A.2096 at 3.59e+05 ! Q103 assign (resid 103 and name HG# ) (resid 103 and name HA ) 2.5 0.7 0.7 ! A.2098 at -1.85e+06 ! A104 assign (resid 104 and name HB# ) (resid 107 and name HG1# ) 4.0 2.2 2.0 ! A.2117 at 7.21e+05 assign (resid 104 and name HB# ) (resid 107 and name HD1# ) 4.0 2.2 1.0 ! A.1917 at 2.20e+06 (wd) ! S105 ! A106 ! assign (resid 106 and name HB# ) (resid 108 and name HD* ) 4.0 2.2 2.0 ! A.3569 at 2.00e+06 assign (resid 106 and name HB# ) (resid 108 and name HD* ) 4.0 2.2 2.5 ! A.1749 at 1.42e+06 ! I107 assign (resid 107 and name HA ) (resid 107 and name HG1# ) 4.0 2.2 1.5 ! A.2126 at 8.00e+05 assign (resid 107 and name HD1# ) (resid 107 and name HA ) 4.0 2.2 1.5 ! A.547 at 7.13e+05 assign (resid 107 and name HG2# ) (resid 107 and name HA ) 2.5 0.7 0.7 ! A.546 at 2.09e+06 assign (resid 107 and name HD1# ) (resid 107 and name HB ) 2.5 0.7 0.7 ! A.1062 at -1.89e+06 ! L108 assign (resid 108 and name HD* ) (resid 108 and name HA ) 4.0 2.2 1.0 ! A.2166 at -1.14e+06 ! assign (resid 108 and name HD* ) (resid 108 and name HA ) 2.5 0.7 0.7 ! A.2165 at -3.64e+06 assign (resid 108 and name HG ) (resid 108 and name HA ) 4.0 2.2 2.0 ! A.2164 at -1.42e+06 (wd) assign (resid 108 and name HB# ) (resid 108 and name HD* ) 2.5 0.7 1.2 ! A.2175 at -3.31e+06 assign (resid 108 and name HD* ) (resid 120 and name HG2# ) 4.0 2.2 2.5 ! A.1763 at 1.45e+06 assign (resid 108 and name HD* ) (resid 120 and name HB ) 4.0 2.2 1.5 ! A.2176 at 8.90e+05 ! S109 ! K110 assign (resid 110 and name HA ) (resid 110 and name HG# ) 4.0 2.2 1.5 ! A.2202 at 7.31e+05 assign (resid 110 and name HG# ) (resid 111 and name HA ) 4.0 2.2 1.5 ! A.1637 at 7.26e+05 assign (resid 110 and name HB# ) (resid 111 and name HA ) 4.0 2.2 1.5 ! A.2197 at -5.53e+05 assign (resid 110 and name HA ) (resid 112 and name HD* ) 4.0 2.2 2.5 ! A.3544 at 5.95e+05 ! assign (resid 110 and name HB# ) (resid 117 and name HG ) 2.5 0.7 0.7 ! A.3371 at -2.31e+06(ov) ! P111 assign (resid 111 and name HB# ) (resid 111 and name HD# ) 4.0 2.2 2.0 ! A.2223 at 6.50e+05 assign (resid 111 and name HA ) (resid 111 and name HG# ) 4.0 2.2 1.5 ! A.2218 at 4.84e+05 ! L112 assign (resid 112 and name HA ) (resid 112 and name HD* ) 3.0 1.2 1.0 ! A.2242 at 2.77e+06(WD) ! D113 assign (resid 113 and name HA ) (resid 114 and name HD# ) 2.5 0.7 0.7 ! A.2250 at 2.30e+06 assign (resid 113 and name HA ) (resid 114 and name HG# ) 4.0 2.2 2.5 ! A.2263 at -3.83e+05 assign (resid 113 and name HB# ) (resid 116 and name HD* ) 4.0 2.2 2.5 ! A.2261 at -3.64e+05 ! P114 assign (resid 114 and name HA ) (resid 114 and name HG# ) 4.0 2.2 1.5 ! A.2276 at 6.15e+05 assign (resid 114 and name HA ) (resid 117 and name HB# ) 4.0 2.2 1.5 ! A.2275 at -5.16e+05 ! Q115 assign (resid 115 and name HG# ) (resid 115 and name HA ) 2.5 0.7 0.7 ! A.2292 at -1.88e+06 assign (resid 115 and name HA ) (resid 118 and name HB# ) 4.0 2.2 1.5 ! A.2282 at -7.84e+05 ! L116 assign (resid 116 and name HA ) (resid 116 and name HG ) 4.0 2.2 1.0 ! A.2314 at 7.64e+05 ! assign (resid 116 and name HB# ) (resid 116 and name HD* ) 2.5 0.7 1.2 ! A.2255 at -1.83e+06 assign (resid 116 and name HB# ) (resid 116 and name HD* ) 3.0 1.2 1.3 ! A.2309 at -1.25e+06 assign (resid 116 and name HG ) (resid 117 and name HA ) 4.0 2.2 1.5 ! A.2330 at 8.98e+05 assign (resid 116 and name HG ) (resid 117 and name HB# ) 4.0 2.2 1.0 ! A.3566 at -1.41e+06 assign (resid 116 and name HA ) (resid 119 and name HB ) 3.0 1.2 0.3 ! A.2296 at 1.36e+06 assign (resid 116 and name HA ) (resid 119 and name HG2# ) 4.0 2.2 1.5 ! A.2302 at 5.42e+05 ! L117 assign (resid 117 and name HA ) (resid 117 and name HD* ) 2.5 0.7 0.7 ! A.206 at 3.08e+06 ! assign (resid 117 and name HB# ) (resid 117 and name HD* ) 3.0 1.2 1.3 ! A.2339 at -9.64e+05 assign (resid 117 and name HB# ) (resid 117 and name HD* ) 3.0 1.2 1.3 ! A.2340 at -1.43e+06 assign (resid 117 and name HD* ) (resid 120 and name HB ) 4.0 2.2 1.5 ! A.2341 at 5.80e+05 assign (resid 117 and name HA ) (resid 120 and name HB ) 3.0 1.2 0.3 ! A.2324 at 1.33e+06 ! L118 assign (resid 118 and name HA ) (resid 118 and name HG ) 4.0 2.2 1.0 ! A.641 at 1.31e+06 assign (resid 118 and name HB# ) (resid 118 and name HD* ) 2.5 0.7 1.2 ! A.2366 at -2.29e+06 assign (resid 118 and name HA ) (resid 118 and name HD* ) 3.0 1.2 1.3 ! A.2368 at 3.75e+06 (wd) assign (resid 118 and name HG ) (resid 122 and name HG# ) 4.0 2.2 2.5 ! A.2445 at -3.95e+05 assign (resid 118 and name HD* ) (resid 122 and name HG# ) 4.0 2.2 2.5 ! A.2112 at -4.82e+05 ! T119 assign (resid 119 and name HG2# ) (resid 119 and name HA ) 3.0 1.2 0.8 ! A.76 at 3.50e+06 assign (resid 119 and name HA ) (resid 122 and name HB# ) 4.0 2.2 1.5 ! A.99 at 7.10e+05 ! T120 assign (resid 120 and name HG2# ) (resid 120 and name HA ) 3.0 1.2 0.8 ! A.2388 at 3.89e+06 assign (resid 120 and name HG2# ) (resid 121 and name HA ) 4.0 2.2 1.5 ! A.2395 at 5.11e+05 ! L121 assign (resid 121 and name HA ) (resid 121 and name HD* ) 3.0 1.2 0.8 ! A.2418 at 9.96e+05 ! assign (resid 121 and name HB# ) (resid 121 and name HD* ) 3.0 1.2 1.3 ! A.2421 at -1.14e+06 assign (resid 121 and name HB# ) (resid 121 and name HD* ) 4.0 2.2 2.0 ! A.2426 at -7.11e+05 assign (resid 121 and name HG ) (resid 121 and name HA ) 3.0 1.2 0.3 ! A.2345 at 1.43e+06 assign (resid 121 and name HA ) (resid 124 and name HB# ) 4.0 2.2 2.5 ! A.2464 at -3.08e+05 ! Q122 assign (resid 122 and name HG# ) (resid 122 and name HA ) 3.0 1.2 0.8 ! A.1346 at -9.36e+05 assign (resid 122 and name HA ) (resid 125 and name HB# ) 4.0 2.2 2.5 ! A.3144 at 2.95e+05 ! G123 ! L124 assign (resid 124 and name HA ) (resid 124 and name HD* ) 3.0 1.2 1.3 ! A.1340 at 4.85e+06 (wd) assign (resid 124 and name HG ) (resid 124 and name HA ) 4.0 2.2 1.0 ! A.2453 at 7.06e+05 ! Queen 042307 ! assign (resid 124 and name HD* ) (resid 126 and name HD# ) 4.0 2.2 2.0 ! A.1190 at -8.12e+05 ! assign (resid 124 and name HD* ) (resid 126 and name HA ) 4.0 2.2 2.5 ! A.1500 at 3.92e+05 ! C125 assign (resid 125 and name HA ) (resid 126 and name HD# ) 3.0 1.2 1.0 ! A.2476 at -4.20e+06 (wd) assign (resid 125 and name HB# ) (resid 126 and name HD# ) 4.0 2.2 2.0 ! A.2479 at -4.87e+05 assign (resid 125 and name HA ) (resid 126 and name HG# ) 4.0 2.2 2.5 ! A.2475 at 4.28e+05 assign (resid 125 and name HA ) (resid 127 and name HB# ) 4.0 2.2 2.0 ! A.671 at 7.27e+05 ! P126 assign (resid 126 and name HD# ) (resid 126 and name HB# ) 3.0 1.2 1.3 ! A.2490 at -1.40e+06 assign (resid 126 and name HA ) (resid 127 and name HD# ) 2.5 0.7 0.7 ! A.1613 at -4.20e+06 assign (resid 126 and name HB# ) (resid 127 and name HD# ) 3.0 1.2 1.3 ! A.2486 at -9.22e+05 ! P127 assign (resid 127 and name HA ) (resid 127 and name HG# ) 3.0 1.2 0.8 ! A.1591 at 1.18e+06 assign (resid 127 and name HG# ) (resid 128 and name HA ) 4.0 2.2 1.5 ! A.2507 at -8.93e+05 ! N128 ! S137 assign (resid 13 and name HG2# ) (resid 59 and name HD* ) 4.0 2.2 2.0 ! A.145 at 2.31e+06 assign (resid 13 and name HG2# ) (resid 121 and name HD* ) 4.0 2.2 2.5 ! A.2950 at 3.02e+05 ! Queen add I13 041706 assign (resid 13 and name HD1# ) (resid 121 and name HD* ) 4.0 2.2 1.0 ! A.171 at 9.35e+05 assign (resid 13 and name HD1# ) (resid 121 and name HG ) 4.0 2.2 1.0 ! A.347 at 3.95e+05 assign (resid 16 and name HA ) (resid 40 and name HD* ) 4.0 2.2 2.5 ! A.213 at 1.68e+06 assign (resid 16 and name HD* ) (resid 42 and name HA ) 4.0 2.2 2.5 ! A.3037 at -4.22e+05 ! assign (resid 17 and name HB# ) (resid 20 and name HA ) 4.0 2.2 2.5 ! A.2713 at -8.00e+05 (Queen 050606) ! E18 assign (resid 18 and name HA ) (resid 41 and name HG* ) 4.0 2.2 1.5 ! A.679 at 5.75e+05 ! assign (resid 18 and name HG# ) (resid 63 and name HD# ) 4.0 2.2 2.0 ! A.248 at 5.89e+05 (Queen 051406) ! Queen 041706 ! assign (resid 18 and name HA ) (resid 64 and name HB# ) 4.0 2.2 2.5 ! A.671 at 7.27e+05 assign (resid 93 and name HG# ) (resid 93 and name HB# ) 2.5 0.7 1.2 ! A.250 at -2.00e+06 ! adjust assign (resid 19 and name HB# ) (resid 22 and name HB# ) 4.0 2.2 2.5 ! A.2738 at 3.03e+05 assign (resid 19 and name HG# ) (resid 22 and name HB# ) 4.0 2.2 2.5 ! A.2736 at -3.61e+05 assign (resid 78 and name HA ) (resid 78 and name HB# ) 3.0 1.2 0.8 ! A.1538 at 1.31e+06 ! adjust assign (resid 21 and name HA ) (resid 21 and name HG# ) 2.5 0.7 0.7 ! A.283 at -1.69e+06 ! V26 ! assign (resid 26 and name HA ) (resid 26 and name HG* ) 2.5 0.7 0.7 ! A.350 at 1.54e+06 assign (resid 26 and name HA ) (resid 29 and name HB# ) 4.0 2.2 2.5 ! A.2747 at 3.22e+05 assign (resid 26 and name HG* ) (resid 30 and name HB# ) 4.0 2.2 1.0 ! A.410 at -1.06e+06 assign (resid 29 and name HA ) (resid 29 and name HG# ) 4.0 2.2 1.5 ! A.388 at 6.15e+05 ! assign (resid 30 and name HD* ) (resid 30 and name HA ) 2.5 0.7 0.7 ! A.402 at 2.53e+06 ! adjust assign (resid 30 and name HG ) (resid 117 and name HD* ) 4.0 2.2 1.0 ! A.2901 at 3.21e+06 ! assign (resid 30 and name HD* ) (resid 118 and name HA ) 4.0 2.2 2.5 ! A.2372 at 5.50e+05 assign (resid 35 and name HE1 ) (resid 118 and name HD* ) 4.0 2.2 2.5 ! A.501 at -5.05e+05 ! adjust ! assign (resid 42 and name HA ) (resid 65 and name HG# ) 4.0 2.2 1.5 ! A.690 at -5.30e+05 (Queen 041706) assign (resid 59 and name HB# ) (resid 59 and name HA ) 4.0 2.2 1.5 ! A.1089 at 7.65e+05 ! adjust assign (resid 47 and name HA ) (resid 50 and name HB# ) 2.5 0.7 0.7 ! A.760 at -1.55e+06 ! D48 assign (resid 48 and name HB# ) (resid 49 and name HG# ) 4.0 2.2 2.5 ! A.3091 at 3.28e+05 assign (resid 48 and name HA ) (resid 51 and name HB# ) 4.0 2.2 1.0 ! A.3092 at -2.23e+06 ! Q49 assign (resid 49 and name HG# ) (resid 49 and name HA ) 2.5 0.7 0.7 ! A.803 at -2.11e+06 assign (resid 49 and name HA ) (resid 52 and name HD* ) 4.0 2.2 1.0 ! A.802 at 9.36e+05 assign (resid 49 and name HA ) (resid 52 and name HG ) 4.0 2.2 2.0 ! A.800 at 4.26e+05 assign (resid 49 and name HA ) (resid 52 and name HB# ) 4.0 2.2 1.5 ! A.801 at -8.28e+05 assign (resid 49 and name HB# ) (resid 53 and name HG ) 4.0 2.2 1.5 ! A.815 at 5.46e+05 ! L50 ! assign (resid 50 and name HD* ) (resid 50 and name HA ) 3.0 1.2 1.3 ! A.824 at 2.66e+06 assign (resid 50 and name HG ) (resid 53 and name HD* ) 4.0 2.2 1.0 ! A.846 at 1.75e+06 assign (resid 50 and name HA ) (resid 53 and name HB# ) 4.0 2.2 2.5 ! A.3139 at -3.72e+05 ! assign (resid 50 and name HA ) (resid 14 and name HD* ) 4.0 2.2 2.5 ! A.830 at 1.73e+06 ! adjust (Queen 042806) ! D51 assign (resid 51 and name HA ) (resid 54 and name HB# ) 4.0 2.2 2.5 ! A.3140 at 1.46e+05 ! assign (resid 103 and name HA ) (resid 99 and name HG ) 4.0 2.2 1.0 ! A.2301 at 1.18e+06 ! adjust (Queen 050606) ! P55 assign (resid 57 and name HA ) (resid 57 and name HG* ) 3.0 1.2 0.8 ! A.2910 at 1.81e+06 assign (resid 58 and name HB ) (resid 58 and name HD1# ) 3.0 1.2 0.8 ! A.1069 at -1.33e+06 ! Queen 041706 ! assign (resid 58 and name HD1# ) (resid 76 and name HD* ) 4.0 2.2 1.0 ! A.1078 at 1.37e+06 (notsure) ! assign (resid 59 and name HA ) (resid 91 and name HB# ) 4.0 2.2 2.5 ! A.1095 at 7.99e+05 ! assign (resid 59 and name HG ) (resid 91 and name HA ) 4.0 2.2 2.0 ! A.1848 at -4.10e+05 ! assign (resid 59 and name HD* ) (resid 117 and name HD* ) 4.0 2.2 1.0 ! A.3000 at 2.41e+06 (Queen 041706) ! Queen 041706 L59 add ! assign (resid 59 and name HG ) (resid 91 and name HB# ) 4.0 2.2 2.5 ! A.313 at 9.26e+05 ! assign (resid 59 and name HG ) (resid 91 and name HD* ) 4.0 2.2 1.0 ! A.315 at 2.53e+06 ! assign (resid 59 and name HB# ) (resid 91 and name HB# ) 4.0 2.2 2.5 ! A.1095 at 7.99e+05 ! assign (resid 59 and name HA ) (resid 91 and name HD* ) 4.0 2.2 2.5 ! A.352 at 5.05e+05 ! assign (resid 59 and name HA ) (resid 91 and name HG ) 4.0 2.2 2.5 ! A.354 at 5.93e+05 assign (resid 62 and name HH2 ) (resid 62 and name HZ2 ) 2.5 0.7 0.2 ! A.1309 at -2.04e+06 assign (resid 62 and name HZ3 ) (resid 62 and name HH2 ) 4.0 2.2 1.0 ! A.2864 at 8.10e+05 assign (resid 62 and name HD1 ) (resid 95 and name HA ) 4.0 2.2 2.5 ! A.722 at -3.96e+05 assign (resid 62 and name HH2 ) (resid 100 and name HD* ) 4.0 2.2 2.5 ! A.2869 at -9.95e+05 assign (resid 64 and name HA ) (resid 65 and name HG# ) 4.0 2.2 1.5 ! A.1170 at 4.62e+05 assign (resid 65 and name HD# ) (resid 65 and name HB# ) 4.0 2.2 2.0 ! A.1195 at -5.82e+05 assign (resid 65 and name HB# ) (resid 66 and name HA ) 4.0 2.2 1.5 ! A.1221 at -4.56e+05 ! (Queen 041706) ! assign (resid 65 and name HG# ) (resid 95 and name HA ) 4.0 2.2 2.5 ! A.723 at 4.07e+05 assign (resid 70 and name HA ) (resid 73 and name HG ) 4.0 2.2 2.5 ! A.373 at 1.32e+06 assign (resid 58 and name HB ) (resid 55 and name HG# ) 4.0 2.2 2.5 ! A.867 at -3.52e+06 ! adjust ! Queen 041706 ! assign (resid 73 and name HG ) (resid 100 and name HD* ) 4.0 2.2 2.5 ! A.1401 at 2.26e+06 ! adjust assign (resid 75 and name HD2 ) (resid 78 and name HA ) 4.0 2.2 2.5 ! A.1475 at -4.35e+05 assign (resid 76 and name HA ) (resid 76 and name HD* ) 4.0 2.2 1.0 ! A.1498 at 3.20e+06 assign (resid 77 and name HD# ) (resid 77 and name HA ) 4.0 2.2 2.5 ! A.1510 at -4.33e+05 assign (resid 80 and name HG# ) (resid 80 and name HA ) 2.5 0.7 0.7 ! A.1556 at -1.60e+06 assign (resid 83 and name HB# ) (resid 85 and name HD# ) 3.0 1.2 1.3 ! A.3125 at -9.47e+05 assign (resid 88 and name HG* ) (resid 89 and name HA ) 4.0 2.2 2.5 ! A.1729 at 3.29e+05 assign (resid 88 and name HB ) (resid 104 and name HA ) 4.0 2.2 1.0 ! A.1694 at 1.45e+06 ! assign (resid 88 and name HG* ) (resid 104 and name HA ) 4.0 2.2 1.0 ! A.1711 at -1.01e+06 assign (resid 90 and name HE# ) (resid 101 and name HA ) 4.0 2.2 2.0 ! A.1823 at -3.35e+05 ! assign (resid 91 and name HD* ) (resid 59 and name HB# ) 4.0 2.2 1.5 ! A.1101 at -1.57e+06 ! adjust assign (resid 59 and name HB# ) (resid 15 and name HD* ) 4.0 2.2 1.5 ! A.1101 at -1.57e+06 ! adjust sure assign (resid 93 and name HG# ) (resid 93 and name HA ) 2.5 0.7 0.7 ! A.1874 at -1.49e+06 assign (resid 94 and name HB# ) (resid 101 and name HG2# ) 4.0 2.2 2.0 ! A.1923 at 4.48e+05 assign (resid 95 and name HB# ) (resid 95 and name HD# ) 4.0 2.2 2.5 ! A.1980 at -3.29e+05 assign (resid 95 and name HG# ) (resid 95 and name HA ) 4.0 2.2 2.5 ! A.726 at 3.39e+05 ! assign (resid 99 and name HA ) (resid 99 and name HD* ) 3.0 1.2 0.8 ! A.1492 at 2.11e+06 assign (resid 100 and name HB# ) (resid 101 and name HG2# ) 4.0 2.2 2.5 ! A.2079 at -5.80e+06 assign (resid 100 and name HA ) (resid 103 and name HB# ) 4.0 2.2 1.5 ! A.2052 at 4.42e+05 assign (resid 101 and name HB ) (resid 102 and name HB# ) 4.0 2.2 2.5 ! A.2088 at 3.29e+05 assign (resid 101 and name HG2# ) (resid 102 and name HA ) 4.0 2.2 1.5 ! A.2093 at 5.58e+05 assign (resid 101 and name HG2# ) (resid 107 and name HD1# ) 2.5 0.7 1.2 ! A.1946 at 3.19e+06 ! S105 assign (resid 105 and name HA ) (resid 87 and name HD* ) 4.0 2.2 2.5 ! A.3014 at 3.35e+05 ! adjust ! assign (resid 106 and name HB# ) (resid 120 and name HG2# ) 4.0 2.2 2.5 ! A.2394 at 4.09e+06 (Queen 042806) assign (resid 113 and name HA ) (resid 116 and name HB# ) 4.0 2.2 2.5 ! A.3143 at 1.16e+05 ! H12 assign (resid 12 and name HB# ) (resid 12 and name HN ) 3.0 1.2 1.0 ! A.69 at 9.97e+07 assign (resid 12 and name HA ) (resid 13 and name HN ) 2.5 0.7 0.4 ! A.75 at 2.68e+08 assign (resid 12 and name HB# ) (resid 13 and name HN ) 4.0 2.2 2.5 ! A.85 at 2.69e+07 assign (resid 12 and name HA ) (resid 36 and name HN ) 4.0 2.2 2.0 ! A.252 at 2.91e+07 assign (resid 12 and name HN ) (resid 55 and name HA ) 4.0 2.2 1.0 ! A.66 at 5.82e+07 assign (resid 12 and name HN ) (resid 55 and name HB# ) 4.0 2.2 2.5 ! A.1116 at 1.39e+07 assign (resid 12 and name HN ) (resid 56 and name HG2# ) 4.0 2.2 2.5 ! A.68 at 4.75e+07 assign (resid 12 and name HN ) (resid 56 and name HG1# ) 4.0 2.2 2.5 ! A.70 at 1.66e+07 assign (resid 12 and name HN ) (resid 56 and name HD1# ) 4.0 2.2 2.5 ! A.74 at 2.99e+07 assign (resid 12 and name HB# ) (resid 56 and name HN ) 4.0 2.2 2.5 ! A.227 at 2.12e+07 ! I13 assign (resid 13 and name HD1# ) (resid 13 and name HN ) 4.0 2.2 2.5 ! A.80 at 3.70e+07 assign (resid 13 and name HG1# ) (resid 13 and name HN ) 4.0 2.2 1.5 ! A.83 at 5.12e+07 assign (resid 13 and name HG2# ) (resid 13 and name HN ) 4.0 2.2 1.5 ! A.79 at 6.15e+07 assign (resid 13 and name HB ) (resid 13 and name HN ) 3.0 1.2 0.5 ! A.78 at -9.54e+07 assign (resid 13 and name HG2# ) (resid 14 and name HN ) 2.5 0.7 0.9 ! A.94 at 1.69e+08 assign (resid 13 and name HA ) (resid 14 and name HN ) 2.5 0.7 0.4 ! A.89 at 3.17e+08 assign (resid 13 and name HG1# ) (resid 14 and name HN ) 4.0 2.2 2.5 ! A.98 at 1.67e+07 assign (resid 13 and name HD1# ) (resid 14 and name HN ) 4.0 2.2 2.5 ! A.95 at 2.78e+07 assign (resid 13 and name HB ) (resid 14 and name HN ) 4.0 2.2 2.0 ! A.93 at -1.99e+07 assign (resid 13 and name HG2# ) (resid 15 and name HN ) 4.0 2.2 2.5 ! A.105 at 1.73e+07 assign (resid 13 and name HN ) (resid 36 and name HB# ) 4.0 2.2 2.5 ! A.1120 at -3.16e+07 assign (resid 13 and name HN ) (resid 37 and name HA ) 4.0 2.2 1.0 ! A.77 at 6.74e+07 assign (resid 13 and name HN ) (resid 37 and name HG* ) 4.0 2.2 1.5 ! A.82 at 4.79e+07 assign (resid 13 and name HG2# ) (resid 38 and name HN ) 4.0 2.2 2.5 ! A.121 at 3.14e+07 assign (resid 13 and name HN ) (resid 38 and name HD1# ) 4.0 2.2 2.5 ! A.81 at 2.79e+07 ! Queen 041706 ! assign (resid 13 and name HN ) (resid 53 and name HD* ) 4.0 2.2 2.5 ! A.1118 at 8.96e+06 assign (resid 13 and name HD1# ) (resid 56 and name HN ) 4.0 2.2 2.5 ! A.230 at 1.60e+07 assign (resid 13 and name HA ) (resid 56 and name HN ) 4.0 2.2 2.0 ! A.229 at 2.60e+07 assign (resid 13 and name HD1# ) (resid 57 and name HN ) 4.0 2.2 2.5 ! A.238 at 4.94e+07 assign (resid 13 and name HG2# ) (resid 57 and name HN ) 4.0 2.2 1.5 ! A.239 at 5.08e+07 assign (resid 13 and name HA ) (resid 57 and name HN ) 3.0 1.2 0.5 ! A.235 at 8.82e+07 assign (resid 13 and name HG1# ) (resid 57 and name HN ) 4.0 2.2 2.5 ! A.247 at 2.67e+07 assign (resid 13 and name HG2# ) (resid 59 and name HN ) 4.0 2.2 1.5 ! A.172 at 6.77e+07 ! L14 assign (resid 14 and name HD* ) (resid 14 and name HN ) 4.0 2.2 1.5 ! A.92 at 5.16e+07 assign (resid 14 and name HB# ) (resid 14 and name HN ) 3.0 1.2 1.0 ! A.90 at -9.16e+07 assign (resid 14 and name HG ) (resid 15 and name HN ) 4.0 2.2 2.0 ! A.110 at 4.03e+07 assign (resid 14 and name HD* ) (resid 15 and name HN ) 3.0 1.2 1.0 ! A.108 at 1.32e+08 assign (resid 14 and name HB# ) (resid 15 and name HN ) 4.0 2.2 2.5 ! A.1127 at -2.84e+07 assign (resid 14 and name HA ) (resid 15 and name HN ) 2.5 0.7 0.4 ! A.102 at -3.79e+08 assign (resid 14 and name HN ) (resid 57 and name HG* ) 4.0 2.2 2.5 ! A.100 at 2.41e+07 assign (resid 14 and name HN ) (resid 58 and name HG1# ) 4.0 2.2 2.5 ! A.97 at 2.44e+07 ! L15 assign (resid 15 and name HD* ) (resid 15 and name HN ) 4.0 2.2 2.5 ! A.1126 at 1.30e+07 assign (resid 15 and name HB# ) (resid 15 and name HN ) 4.0 2.2 1.5 ! A.104 at -7.93e+07 assign (resid 15 and name HA ) (resid 16 and name HN ) 2.5 0.7 0.4 ! A.123 at 2.77e+08 assign (resid 15 and name HD* ) (resid 16 and name HN ) 4.0 2.2 2.5 ! A.1134 at 1.30e+07 assign (resid 15 and name HN ) (resid 37 and name HG* ) 4.0 2.2 2.5 ! A.107 at 7.53e+07 assign (resid 15 and name HN ) (resid 38 and name HG2# ) 4.0 2.2 2.5 ! A.106 at 3.15e+07 assign (resid 15 and name HN ) (resid 38 and name HB ) 4.0 2.2 1.0 ! A.103 at -4.51e+07 assign (resid 15 and name HN ) (resid 39 and name HA ) 4.0 2.2 1.0 ! A.115 at 6.66e+07 ! L16 assign (resid 16 and name HG ) (resid 16 and name HN ) 4.0 2.2 1.0 ! A.127 at 4.73e+07 ! assign (resid 16 and name HD* ) (resid 16 and name HN ) 4.0 2.2 1.5 ! A.128 at 6.49e+07 assign (resid 16 and name HD* ) (resid 16 and name HN ) 4.0 2.2 1.5 ! A.129 at 5.38e+07 assign (resid 16 and name HB# ) (resid 16 and name HN ) 4.0 2.2 1.5 ! A.125 at -5.82e+07 assign (resid 16 and name HG ) (resid 17 and name HN ) 4.0 2.2 2.0 ! A.140 at 2.92e+07 assign (resid 16 and name HA ) (resid 17 and name HN ) 2.5 0.7 0.4 ! A.132 at 3.84e+08 assign (resid 16 and name HD* ) (resid 17 and name HN ) 4.0 2.2 1.5 ! A.138 at 7.77e+07 assign (resid 16 and name HB# ) (resid 17 and name HN ) 4.0 2.2 2.5 ! A.137 at -2.11e+07 assign (resid 16 and name HD* ) (resid 40 and name HN ) 4.0 2.2 2.0 ! A.278 at 6.34e+07 assign (resid 16 and name HN ) (resid 60 and name HE# ) 4.0 2.2 2.5 ! A.1132 at 1.31e+07 assign (resid 16 and name HN ) (resid 60 and name HG# ) 4.0 2.2 2.5 ! A.1128 at 1.08e+07 assign (resid 16 and name HB# ) (resid 61 and name HN ) 4.0 2.2 2.5 ! A.196 at -2.78e+07 ! E17 assign (resid 17 and name HB# ) (resid 17 and name HN ) 4.0 2.2 2.5 ! A.142 at -4.19e+07 assign (resid 17 and name HN ) (resid 39 and name HD1 ) 4.0 2.2 1.0 ! A.131 at -6.96e+07 assign (resid 17 and name HN ) (resid 39 and name HZ2 ) 4.0 2.2 2.5 ! A.1505 at 9.51e+06 (Queen 050606) assign (resid 17 and name HN ) (resid 41 and name HA ) 4.0 2.2 1.0 ! A.133 at 6.69e+07 assign (resid 17 and name HN ) (resid 41 and name HG* ) 4.0 2.2 2.5 ! A.134 at 3.13e+07 (Queen 050606) assign (resid 17 and name HA ) (resid 61 and name HN ) 4.0 2.2 2.0 ! A.191 at 2.45e+07 ! E18 ! E19 ! D20 assign (resid 20 and name HA ) (resid 21 and name HN ) 4.0 2.2 2.0 ! A.283 at 2.96e+07 assign (resid 20 and name HB# ) (resid 21 and name HN ) 3.0 1.2 1.0 ! A.282 at -9.27e+07 assign (resid 20 and name HA ) (resid 23 and name HN ) 4.0 2.2 2.5 ! A.295 at 2.95e+07 ! E21 assign (resid 21 and name HB# ) (resid 21 and name HN ) 2.5 0.7 0.9 ! A.281 at 1.80e+08 assign (resid 21 and name HG# ) (resid 21 and name HN ) 3.0 1.2 1.0 ! A.285 at -8.41e+07 assign (resid 21 and name HN ) (resid 22 and name HB# ) 4.0 2.2 2.5 ! A.1138 at 1.54e+07 assign (resid 21 and name HA ) (resid 24 and name HN ) 4.0 2.2 2.0 ! A.299 at 3.59e+07 ! A22 assign (resid 22 and name HA ) (resid 23 and name HN ) 4.0 2.2 2.0 ! A.1143 at 4.35e+07 assign (resid 22 and name HB# ) (resid 23 and name HN ) 2.5 0.7 0.9 ! A.296 at 1.70e+08 assign (resid 22 and name HB# ) (resid 24 and name HN ) 4.0 2.2 2.5 ! A.300 at 1.98e+07 assign (resid 22 and name HA ) (resid 24 and name HN ) 4.0 2.2 2.0 ! A.1149 at 1.75e+07 assign (resid 22 and name HN ) (resid 25 and name HB ) 4.0 2.2 2.0 ! A.1140 at 3.11e+07 assign (resid 22 and name HA ) (resid 25 and name HN ) 4.0 2.2 1.0 ! A.315 at 7.98e+07 ! A23 assign (resid 23 and name HN ) (resid 24 and name HB ) 4.0 2.2 2.0 ! A.297 at 2.20e+07 assign (resid 23 and name HA ) (resid 24 and name HN ) 4.0 2.2 2.0 ! A.306 at 2.27e+07 assign (resid 23 and name HA ) (resid 26 and name HN ) 4.0 2.2 2.0 ! A.324 at 3.48e+07 ! T24 assign (resid 24 and name HG2# ) (resid 24 and name HN ) 4.0 2.2 1.0 ! A.304 at 9.11e+07 assign (resid 24 and name HB ) (resid 24 and name HN ) 2.5 0.7 0.4 ! A.302 at 1.49e+08 assign (resid 24 and name HA ) (resid 25 and name HN ) 4.0 2.2 1.0 ! A.309 at 7.64e+07 assign (resid 24 and name HB ) (resid 25 and name HN ) 3.0 1.2 0.5 ! A.319 at 8.59e+07 assign (resid 24 and name HN ) (resid 25 and name HB ) 4.0 2.2 2.0 ! A.1151 at 1.19e+07 assign (resid 24 and name HB ) (resid 26 and name HN ) 4.0 2.2 2.0 ! A.337 at 1.74e+07 ! V25 assign (resid 25 and name HB ) (resid 25 and name HN ) 2.5 0.7 0.4 ! A.314 at 1.62e+08 ! assign (resid 25 and name HG* ) (resid 25 and name HN ) 4.0 2.2 1.5 ! A.318 at 2.22e+08 (wd,ov) assign (resid 25 and name HG* ) (resid 25 and name HN ) 4.0 2.2 1.5 ! A.317 at 6.32e+07 assign (resid 25 and name HB ) (resid 26 and name HN ) 3.0 1.2 1.0 ! A.335 at 1.80e+08 assign (resid 25 and name HA ) (resid 26 and name HN ) 4.0 2.2 1.0 ! A.322 at 7.61e+07 assign (resid 25 and name HG* ) (resid 26 and name HN ) 4.0 2.2 1.0 ! A.329 at 9.29e+07 ! assign (resid 25 and name HG* ) (resid 26 and name HN ) 3.0 1.2 1.0 ! A.330 at 8.09e+07 assign (resid 25 and name HA ) (resid 28 and name HN ) 4.0 2.2 1.0 ! A.370 at 6.60e+07 ! V26 assign (resid 26 and name HB ) (resid 26 and name HN ) 2.5 0.7 0.4 ! A.334 at 2.05e+08 assign (resid 26 and name HN ) (resid 27 and name HB# ) 4.0 2.2 2.5 ! A.336 at 1.65e+07 assign (resid 26 and name HB ) (resid 27 and name HN ) 4.0 2.2 1.0 ! A.341 at 4.85e+07 assign (resid 26 and name HG* ) (resid 27 and name HN ) 4.0 2.2 2.5 ! A.339 at 2.76e+07 assign (resid 26 and name HA ) (resid 28 and name HN ) 4.0 2.2 2.0 ! A.1160 at 1.58e+07 assign (resid 26 and name HG* ) (resid 30 and name HN ) 4.0 2.2 1.5 ! A.390 at 7.69e+07 assign (resid 26 and name HA ) (resid 30 and name HN ) 4.0 2.2 2.0 ! A.395 at 2.47e+07 ! C27 assign (resid 27 and name HB# ) (resid 27 and name HN ) 4.0 2.2 1.5 ! A.340 at 4.52e+07 assign (resid 27 and name HB# ) (resid 28 and name HN ) 3.0 1.2 1.0 ! A.357 at 1.13e+08 assign (resid 27 and name HA ) (resid 28 and name HN ) 4.0 2.2 1.0 ! A.371 at 4.92e+07 assign (resid 27 and name HA ) (resid 31 and name HN ) 2.5 0.7 0.9 ! A.841 at 2.78e+08 ! E28 assign (resid 28 and name HB# ) (resid 28 and name HN ) 2.5 0.7 0.9 ! A.361 at 2.39e+08 assign (resid 28 and name HG# ) (resid 28 and name HN ) 4.0 2.2 1.0 ! A.356 at -1.21e+08 assign (resid 28 and name HN ) (resid 29 and name HB# ) 4.0 2.2 2.5 ! A.362 at 3.69e+07 assign (resid 28 and name HA ) (resid 30 and name HN ) 4.0 2.2 2.0 ! A.1167 at 2.00e+07 assign (resid 28 and name HA ) (resid 31 and name HN ) 4.0 2.2 2.0 ! A.399 at 3.67e+07 ! M29 assign (resid 29 and name HB# ) (resid 30 and name HN ) 4.0 2.2 1.5 ! A.393 at 7.50e+07 assign (resid 29 and name HG# ) (resid 30 and name HN ) 4.0 2.2 2.5 ! A.1169 at 1.87e+07 ! L30 assign (resid 30 and name HD* ) (resid 30 and name HN ) 3.0 1.2 1.0 ! A.389 at 9.79e+07 assign (resid 30 and name HG ) (resid 30 and name HN ) 3.0 1.2 1.0 ! A.388 at 8.89e+07 (wd) assign (resid 30 and name HB# ) (resid 30 and name HN ) 4.0 2.2 1.5 ! A.391 at -7.04e+07 assign (resid 30 and name HN ) (resid 31 and name HA ) 4.0 2.2 2.0 ! A.1168 at 1.45e+07 assign (resid 30 and name HA ) (resid 33 and name HN ) 4.0 2.2 1.0 ! A.414 at 7.90e+07 assign (resid 30 and name HB# ) (resid 33 and name HN ) 4.0 2.2 2.5 ! A.1184 at -1.37e+07 assign (resid 30 and name HN ) (resid 33 and name HB# ) 4.0 2.2 2.5 ! A.1170 at 2.56e+07 assign (resid 30 and name HA ) (resid 34 and name HN ) 4.0 2.2 2.0 ! A.427 at -2.23e+07 assign (resid 30 and name HA ) (resid 35 and name HN ) 4.0 2.2 2.0 ! A.434 at 2.78e+07 assign (resid 30 and name HD* ) (resid 35 and name HN ) 4.0 2.2 2.5 ! A.1197 at 1.77e+07 ! T31 assign (resid 31 and name HB ) (resid 31 and name HN ) 2.5 0.7 0.4 ! A.398 at 1.51e+08 assign (resid 31 and name HA ) (resid 32 and name HN ) 4.0 2.2 2.0 ! A.1177 at 8.60e+06 assign (resid 31 and name HG2# ) (resid 32 and name HN ) 4.0 2.2 2.5 ! A.409 at 1.30e+07 assign (resid 31 and name HA ) (resid 33 and name HN ) 4.0 2.2 2.0 ! A.417 at 3.07e+07 assign (resid 31 and name HB ) (resid 33 and name HN ) 4.0 2.2 2.0 ! A.1181 at 1.46e+07 assign (resid 31 and name HA ) (resid 34 and name HN ) 4.0 2.2 1.0 ! A.424 at -8.02e+07 (wd) assign (resid 31 and name HA ) (resid 35 and name HN ) 4.0 2.2 1.0 ! A.436 at 1.07e+08 (wd) ! A32 assign (resid 32 and name HB# ) (resid 32 and name HN ) 4.0 2.2 1.5 ! A.411 at 6.92e+07 assign (resid 32 and name HA ) (resid 33 and name HN ) 3.0 1.2 0.5 ! A.413 at 8.66e+07 assign (resid 32 and name HB# ) (resid 33 and name HN ) 3.0 1.2 0.8 ! A.420 at 1.91e+08 assign (resid 32 and name HA ) (resid 34 and name HN ) 4.0 2.2 1.0 ! A.426 at -5.33e+07 ! A33 assign (resid 33 and name HB# ) (resid 33 and name HN ) 2.5 0.7 0.9 ! A.419 at 4.60e+08 assign (resid 33 and name HA ) (resid 34 and name HN ) 3.0 1.2 0.5 ! A.1187 at 1.22e+08 assign (resid 33 and name HB# ) (resid 34 and name HN ) 3.0 1.2 1.0 ! A.430 at -1.47e+08 assign (resid 33 and name HN ) (resid 34 and name HA# ) 4.0 2.2 2.5 ! A.416 at -1.95e+07 assign (resid 33 and name HB# ) (resid 35 and name HN ) 4.0 2.2 2.5 ! A.442 at 8.06e+07 (wd,ov) assign (resid 33 and name HA ) (resid 35 and name HN ) 4.0 2.2 2.0 ! A.439 at -2.59e+07 assign (resid 33 and name HN ) (resid 35 and name HD1 ) 4.0 2.2 2.0 ! A.1180 at -1.47e+07 ! G34 assign (resid 34 and name HN ) (resid 35 and name HD1 ) 4.0 2.2 2.0 ! A.423 at 2.25e+07 assign (resid 34 and name HN ) (resid 35 and name HB# ) 4.0 2.2 2.5 ! A.1189 at 1.65e+07 assign (resid 34 and name HN ) (resid 35 and name HA ) 4.0 2.2 2.0 ! A.428 at -2.24e+07 assign (resid 34 and name HA# ) (resid 35 and name HN ) 4.0 2.2 1.5 ! A.438 at -6.45e+07 ! F35 assign (resid 35 and name HB# ) (resid 35 and name HN ) 4.0 2.2 1.5 ! A.441 at -7.03e+07 assign (resid 35 and name HD1 ) (resid 35 and name HN ) 3.0 1.2 0.5 ! A.443 at -9.96e+07 assign (resid 35 and name HA ) (resid 36 and name HN ) 2.5 0.7 0.4 ! A.250 at 1.86e+08 assign (resid 35 and name HB# ) (resid 36 and name HN ) 4.0 2.2 1.5 ! A.254 at -5.11e+07 ! K36 assign (resid 36 and name HD# ) (resid 36 and name HN ) 4.0 2.2 2.5 ! A.257 at 2.60e+07 assign (resid 36 and name HG# ) (resid 36 and name HN ) 4.0 2.2 1.5 ! A.256 at 4.73e+07 assign (resid 36 and name HB# ) (resid 36 and name HN ) 4.0 2.2 1.5 ! A.258 at -5.94e+07 assign (resid 36 and name HG# ) (resid 37 and name HN ) 4.0 2.2 1.5 ! A.447 at 5.07e+07 assign (resid 36 and name HA ) (resid 37 and name HN ) 2.5 0.7 0.4 ! A.445 at 4.21e+08 assign (resid 36 and name HB# ) (resid 37 and name HN ) 4.0 2.2 2.5 ! A.450 at -4.14e+07 ! V37 assign (resid 37 and name HB ) (resid 37 and name HN ) 3.0 1.2 0.8 ! A.451 at -1.39e+08 assign (resid 37 and name HG* ) (resid 37 and name HN ) 4.0 2.2 1.0 ! A.446 at 2.17e+08 assign (resid 37 and name HG* ) (resid 38 and name HN ) 4.0 2.2 1.0 ! A.119 at 2.40e+08 (wd) assign (resid 37 and name HA ) (resid 38 and name HN ) 2.5 0.7 0.4 ! A.117 at 3.31e+08 assign (resid 37 and name HN ) (resid 38 and name HA ) 4.0 2.2 2.0 ! A.1206 at 8.13e+06 ! I38 assign (resid 38 and name HG1# ) (resid 38 and name HN ) 3.0 1.2 1.0 ! A.118 at 1.07e+08 assign (resid 38 and name HG1# ) (resid 39 and name HN ) 4.0 2.2 1.5 ! A.458 at 5.72e+07 assign (resid 38 and name HA ) (resid 39 and name HN ) 2.5 0.7 0.4 ! A.453 at 5.22e+08 assign (resid 38 and name HB ) (resid 39 and name HN ) 4.0 2.2 2.0 ! A.455 at -3.40e+07 assign (resid 38 and name HD1# ) (resid 39 and name HN ) 4.0 2.2 2.0 ! A.1212 at 5.15e+07 ! W39 assign (resid 39 and name HB# ) (resid 39 and name HN ) 3.0 1.2 1.0 ! A.459 at 1.06e+08 assign (resid 39 and name HE3 ) (resid 39 and name HN ) 4.0 2.2 2.0 ! A.1214 at -1.92e+07 assign (resid 39 and name HA ) (resid 40 and name HN ) 2.5 0.7 0.4 ! A.114 at 2.23e+08 assign (resid 39 and name HB# ) (resid 40 and name HN ) 4.0 2.2 2.5 ! A.276 at 2.35e+07 assign (resid 39 and name HD1 ) (resid 40 and name HN ) 3.0 1.2 0.5 ! A.113 at -1.35e+08 ! L40 assign (resid 40 and name HB# ) (resid 40 and name HN ) 4.0 2.2 1.5 ! A.280 at -7.50e+07 assign (resid 40 and name HA ) (resid 41 and name HN ) 2.5 0.7 0.4 ! A.462 at -3.12e+08 assign (resid 40 and name HB# ) (resid 41 and name HN ) 3.0 1.2 1.0 ! A.463 at -9.34e+07 assign (resid 40 and name HD* ) (resid 42 and name HN ) 3.0 1.2 1.0 ! A.270 at 1.14e+08 assign (resid 40 and name HB# ) (resid 42 and name HN ) 3.0 1.2 1.0 ! A.266 at -1.41e+08 assign (resid 40 and name HD* ) (resid 46 and name HN ) 3.0 1.2 1.0 ! A.492 at 1.18e+08 ! assign (resid 40 and name HG ) (resid 47 and name HN ) 4.0 2.2 1.5 ! A.528 at 8.33e+07 (wd) (Queen 050606) ! V41 ! assign (resid 41 and name HG* ) (resid 41 and name HN ) 2.5 0.7 0.9 ! A.466 at 3.12e+08 assign (resid 41 and name HG* ) (resid 41 and name HN ) 2.5 0.7 0.9 ! A.467 at 1.59e+08 assign (resid 41 and name HB ) (resid 41 and name HN ) 4.0 2.2 1.0 ! A.469 at 6.08e+07 assign (resid 41 and name HB ) (resid 42 and name HN ) 4.0 2.2 1.0 ! A.269 at 4.83e+07 ! assign (resid 41 and name HG* ) (resid 42 and name HN ) 4.0 2.2 1.5 ! A.273 at 6.76e+07 assign (resid 41 and name HG* ) (resid 42 and name HN ) 4.0 2.2 1.0 ! A.274 at 1.55e+08 (wd,ov) assign (resid 41 and name HA ) (resid 42 and name HN ) 3.0 1.2 0.5 ! A.264 at 1.08e+08 ! D42 assign (resid 42 and name HB# ) (resid 42 and name HN ) 3.0 1.2 1.0 ! A.267 at -8.10e+07 assign (resid 42 and name HN ) (resid 43 and name HA# ) 4.0 2.2 2.5 ! A.275 at -1.25e+07 assign (resid 42 and name HA ) (resid 43 and name HN ) 2.5 0.7 0.4 ! A.470 at -2.09e+08 assign (resid 42 and name HB# ) (resid 43 and name HN ) 4.0 2.2 1.5 ! A.472 at -7.57e+07 assign (resid 42 and name HA ) (resid 44 and name HN ) 4.0 2.2 2.5 ! A.1233 at -5.19e+07 assign (resid 42 and name HN ) (resid 45 and name HB ) 4.0 2.2 2.0 ! A.265 at 2.34e+07 ! G43 assign (resid 43 and name HA# ) (resid 44 and name HN ) 4.0 2.2 1.5 ! A.1234 at -6.12e+07 assign (resid 43 and name HA# ) (resid 46 and name HN ) 4.0 2.2 2.5 ! A.1242 at -3.59e+07 assign (resid 43 and name HA# ) (resid 69 and name HN ) 4.0 2.2 2.5 ! A.1306 at -2.83e+07 assign (resid 43 and name HN ) (resid 69 and name HA ) 4.0 2.2 2.0 ! A.1226 at 1.34e+07 ! S44 assign (resid 44 and name HB# ) (resid 44 and name HN ) 2.5 0.7 0.9 ! A.1239 at 3.16e+08 assign (resid 44 and name HN ) (resid 45 and name HB ) 4.0 2.2 2.0 ! A.1232 at 1.97e+07 assign (resid 44 and name HB# ) (resid 45 and name HN ) 3.0 1.2 1.0 ! A.484 at 1.18e+08 assign (resid 44 and name HA ) (resid 47 and name HN ) 4.0 2.2 1.0 ! A.404 at 6.26e+07 assign (resid 44 and name HA ) (resid 48 and name HN ) 4.0 2.2 2.0 ! A.1251 at 3.25e+07 ! T45 assign (resid 45 and name HG2# ) (resid 45 and name HN ) 4.0 2.2 1.0 ! A.486 at 1.55e+08 (wd) assign (resid 45 and name HB ) (resid 45 and name HN ) 3.0 1.2 0.5 ! A.483 at 1.45e+08 assign (resid 45 and name HG2# ) (resid 46 and name HN ) 4.0 2.2 1.0 ! A.490 at 8.43e+07 assign (resid 45 and name HA ) (resid 46 and name HN ) 3.0 1.2 0.5 ! A.488 at 8.71e+07 assign (resid 45 and name HB ) (resid 46 and name HN ) 3.0 1.2 0.5 ! A.736 at 1.10e+08 assign (resid 45 and name HA ) (resid 47 and name HN ) 4.0 2.2 2.0 ! A.1245 at 2.42e+07 assign (resid 45 and name HA ) (resid 48 and name HN ) 4.0 2.2 1.0 ! A.497 at 7.42e+07 assign (resid 45 and name HA ) (resid 49 and name HN ) 4.0 2.2 2.0 ! A.1258 at 1.59e+07 assign (resid 45 and name HG2# ) (resid 49 and name HN ) 4.0 2.2 2.5 ! A.1253 at 2.32e+07 assign (resid 45 and name HG2# ) (resid 49 and name HE21 ) 4.0 2.2 1.0 ! A.549 at 1.02e+08 ! A46 assign (resid 46 and name HB# ) (resid 46 and name HN ) 2.5 0.7 0.9 ! A.489 at 5.02e+08 assign (resid 46 and name HB# ) (resid 47 and name HN ) 2.5 0.7 0.9 ! A.405 at 2.96e+08 assign (resid 46 and name HA ) (resid 47 and name HN ) 3.0 1.2 0.5 ! A.403 at 8.07e+07 assign (resid 46 and name HA ) (resid 48 and name HN ) 4.0 2.2 2.0 ! A.1247 at 2.26e+07 assign (resid 46 and name HA ) (resid 49 and name HN ) 4.0 2.2 1.0 ! A.505 at 6.56e+07 assign (resid 46 and name HB# ) (resid 50 and name HN ) 4.0 2.2 2.5 ! A.1261 at 2.37e+07 ! L47 assign (resid 47 and name HG ) (resid 47 and name HN ) 2.5 0.7 0.9 ! A.408 at 1.93e+08 (wd,ov) assign (resid 47 and name HB# ) (resid 47 and name HN ) 2.5 0.7 0.9 ! A.406 at -6.27e+08 assign (resid 47 and name HA ) (resid 48 and name HN ) 4.0 2.2 1.0 ! A.494 at 7.81e+07 assign (resid 47 and name HG ) (resid 48 and name HN ) 4.0 2.2 1.0 ! A.501 at 4.78e+07 assign (resid 47 and name HB# ) (resid 48 and name HN ) 2.5 0.7 0.9 ! A.498 at -3.08e+08 assign (resid 47 and name HA ) (resid 49 and name HN ) 4.0 2.2 2.0 ! A.1254 at 2.17e+07 assign (resid 47 and name HA ) (resid 50 and name HN ) 4.0 2.2 1.0 ! A.513 at 6.82e+07 assign (resid 47 and name HD* ) (resid 72 and name HN ) 4.0 2.2 1.5 ! A.592 at 7.84e+07 assign (resid 47 and name HN ) (resid 72 and name HD* ) 4.0 2.2 1.5 ! A.407 at 1.43e+08 assign (resid 47 and name HD* ) (resid 75 and name HN ) 4.0 2.2 2.5 ! A.17 at 7.24e+07 ! D48 assign (resid 48 and name HB# ) (resid 48 and name HN ) 2.5 0.7 0.9 ! A.496 at -3.68e+08 assign (resid 48 and name HB# ) (resid 49 and name HN ) 3.0 1.2 1.0 ! A.506 at -1.09e+08 ! Q49 assign (resid 49 and name HB# ) (resid 49 and name HN ) 3.0 1.2 1.0 ! A.1252 at 9.53e+07 assign (resid 49 and name HG# ) (resid 49 and name HN ) 2.5 0.7 0.9 ! A.504 at -2.69e+08 assign (resid 49 and name HG# ) (resid 49 and name HE21 ) 2.5 0.7 0.7 ! A.548 at -1.55e+08 assign (resid 49 and name HB# ) (resid 50 and name HN ) 4.0 2.2 2.5 ! A.517 at 3.89e+07 assign (resid 49 and name HG# ) (resid 50 and name HN ) 4.0 2.2 1.5 ! A.514 at -4.56e+07 assign (resid 49 and name HN ) (resid 50 and name HA ) 4.0 2.2 2.0 ! A.1255 at 2.36e+07 assign (resid 49 and name HB# ) (resid 52 and name HN ) 4.0 2.2 2.5 ! A.1157 at 9.74e+06 assign (resid 49 and name HB# ) (resid 53 and name HN ) 4.0 2.2 2.5 ! A.1275 at 1.69e+07 ! L50 assign (resid 50 and name HB# ) (resid 50 and name HN ) 2.5 0.7 0.9 ! A.515 at -4.45e+08 assign (resid 50 and name HA ) (resid 52 and name HN ) 4.0 2.2 2.0 ! A.323 at 3.43e+07 assign (resid 50 and name HG ) (resid 53 and name HN ) 4.0 2.2 1.0 ! A.1274 at 1.69e+08 (wd) assign (resid 50 and name HA ) (resid 53 and name HN ) 4.0 2.2 1.0 ! A.527 at 6.29e+07 assign (resid 50 and name HD* ) (resid 54 and name HN ) 4.0 2.2 2.5 ! A.535 at 3.66e+07 assign (resid 50 and name HA ) (resid 54 and name HN ) 4.0 2.2 1.0 ! A.536 at 4.85e+07 assign (resid 50 and name HG ) (resid 54 and name HN ) 4.0 2.2 2.0 ! A.1278 at 2.66e+07 ! D51 assign (resid 51 and name HB# ) (resid 51 and name HN ) 2.5 0.7 0.9 ! A.519 at -4.21e+08 assign (resid 51 and name HB# ) (resid 52 and name HN ) 2.5 0.7 0.9 ! A.328 at -2.12e+08 assign (resid 51 and name HA ) (resid 54 and name HE21 ) 3.0 1.2 0.3 ! A.1037 at 1.04e+08 assign (resid 51 and name HB# ) (resid 54 and name HE21 ) 4.0 2.2 2.5 ! A.1038 at -2.85e+07 ! L52 assign (resid 52 and name HG ) (resid 52 and name HN ) 2.5 0.7 0.4 ! A.333 at 1.98e+08 assign (resid 52 and name HB# ) (resid 52 and name HN ) 2.5 0.7 0.9 ! A.331 at -3.08e+08 assign (resid 52 and name HB# ) (resid 53 and name HN ) 3.0 1.2 1.0 ! A.526 at -1.45e+08 assign (resid 52 and name HN ) (resid 54 and name HG# ) 4.0 2.2 2.5 ! A.325 at -3.29e+07 ! L53 assign (resid 53 and name HD* ) (resid 53 and name HN ) 4.0 2.2 1.0 ! A.524 at 9.05e+07 assign (resid 53 and name HB# ) (resid 53 and name HN ) 3.0 1.2 1.0 ! A.525 at -9.10e+07 assign (resid 53 and name HG ) (resid 53 and name HN ) 3.0 1.2 0.5 ! A.520 at 1.09e+08 assign (resid 53 and name HN ) (resid 54 and name HG# ) 4.0 2.2 2.5 ! A.1271 at -4.00e+07 assign (resid 53 and name HB# ) (resid 54 and name HN ) 4.0 2.2 2.5 ! A.1056 at -3.54e+07 assign (resid 53 and name HD* ) (resid 54 and name HN ) 4.0 2.2 2.5 ! A.1277 at 2.16e+07 assign (resid 53 and name HN ) (resid 55 and name HD# ) 4.0 2.2 2.5 ! A.1272 at -3.72e+07 ! Q54 assign (resid 54 and name HB# ) (resid 54 and name HN ) 3.0 1.2 1.0 ! A.532 at 1.19e+08 assign (resid 54 and name HG# ) (resid 54 and name HN ) 2.5 0.7 0.9 ! A.531 at -1.98e+08 assign (resid 54 and name HB# ) (resid 54 and name HE21 ) 4.0 2.2 2.5 ! A.1036 at 2.99e+07 assign (resid 54 and name HG# ) (resid 54 and name HE21 ) 3.0 1.2 0.8 ! A.1035 at -1.35e+08 assign (resid 54 and name HN ) (resid 55 and name HD# ) 3.0 1.2 1.0 ! A.534 at -1.10e+08 ! P55 assign (resid 55 and name HA ) (resid 56 and name HN ) 2.5 0.7 0.9 ! A.219 at 2.40e+08 assign (resid 55 and name HB# ) (resid 56 and name HN ) 4.0 2.2 2.5 ! A.225 at 3.34e+07 assign (resid 55 and name HG# ) (resid 57 and name HN ) 4.0 2.2 2.5 ! A.244 at 1.82e+07 assign (resid 55 and name HB# ) (resid 57 and name HN ) 4.0 2.2 1.5 ! A.248 at 5.81e+07 ! I56 assign (resid 56 and name HG1# ) (resid 56 and name HN ) 4.0 2.2 1.5 ! A.224 at 7.16e+07 assign (resid 56 and name HG2# ) (resid 56 and name HN ) 3.0 1.2 1.0 ! A.220 at 1.27e+08 assign (resid 56 and name HD1# ) (resid 56 and name HN ) 4.0 2.2 1.5 ! A.223 at 6.29e+07 assign (resid 56 and name HB ) (resid 56 and name HN ) 4.0 2.2 1.0 ! A.221 at -6.84e+07 assign (resid 56 and name HD1# ) (resid 57 and name HN ) 4.0 2.2 1.5 ! A.249 at 4.73e+07 assign (resid 56 and name HG1# ) (resid 57 and name HN ) 4.0 2.2 1.5 ! A.245 at 7.45e+07 assign (resid 56 and name HA ) (resid 57 and name HN ) 3.0 1.2 0.5 ! A.1283 at 9.99e+07 assign (resid 56 and name HG2# ) (resid 57 and name HN ) 4.0 2.2 1.0 ! A.241 at 8.29e+07 assign (resid 56 and name HB ) (resid 57 and name HN ) 4.0 2.2 1.0 ! A.242 at -5.94e+07 assign (resid 56 and name HN ) (resid 57 and name HB ) 4.0 2.2 2.0 ! A.222 at -1.67e+07 ! V57 assign (resid 57 and name HG* ) (resid 57 and name HN ) 3.0 1.2 1.0 ! A.243 at 1.09e+08 assign (resid 57 and name HB ) (resid 57 and name HN ) 3.0 1.2 0.5 ! A.240 at -8.58e+07 assign (resid 57 and name HG* ) (resid 58 and name HN ) 2.5 0.7 0.9 ! A.159 at 3.22e+08 assign (resid 57 and name HB ) (resid 58 and name HN ) 4.0 2.2 2.0 ! A.152 at -3.26e+07 assign (resid 57 and name HA ) (resid 87 and name HN ) 3.0 1.2 0.5 ! A.595 at 1.22e+08 assign (resid 57 and name HG* ) (resid 87 and name HN ) 4.0 2.2 1.0 ! A.679 at 8.03e+07 ! I58 assign (resid 58 and name HG1# ) (resid 58 and name HN ) 3.0 1.2 1.0 ! A.162 at 8.43e+07 assign (resid 58 and name HD1# ) (resid 58 and name HN ) 4.0 2.2 1.5 ! A.155 at 4.66e+07 assign (resid 58 and name HB ) (resid 58 and name HN ) 2.5 0.7 0.4 ! A.153 at -1.55e+08 assign (resid 58 and name HG2# ) (resid 59 and name HN ) 2.5 0.7 0.9 ! A.173 at 1.61e+08 assign (resid 58 and name HG2# ) (resid 60 and name HN ) 4.0 2.2 1.5 ! A.184 at 4.82e+07 assign (resid 58 and name HN ) (resid 86 and name HB# ) 4.0 2.2 2.5 ! A.164 at 1.78e+07 assign (resid 58 and name HD1# ) (resid 87 and name HN ) 4.0 2.2 2.5 ! A.1264 at 1.27e+07 assign (resid 58 and name HN ) (resid 88 and name HG* ) 4.0 2.2 2.5 ! A.154 at 2.84e+07 assign (resid 58 and name HN ) (resid 88 and name HA ) 3.0 1.2 0.5 ! A.151 at 9.57e+07 assign (resid 58 and name HG2# ) (resid 89 and name HN ) 4.0 2.2 2.5 ! A.691 at 2.88e+07 assign (resid 58 and name HB ) (resid 89 and name HN ) 4.0 2.2 2.0 ! A.686 at -3.18e+07 ! L59 assign (resid 59 and name HD* ) (resid 59 and name HN ) 4.0 2.2 1.5 ! A.170 at 6.18e+07 assign (resid 59 and name HB# ) (resid 59 and name HN ) 4.0 2.2 1.5 ! A.167 at -6.48e+07 assign (resid 59 and name HD* ) (resid 60 and name HN ) 4.0 2.2 1.5 ! A.186 at 7.65e+07 assign (resid 59 and name HG ) (resid 60 and name HN ) 4.0 2.2 1.0 ! A.181 at 4.64e+07 assign (resid 59 and name HB# ) (resid 60 and name HN ) 4.0 2.2 1.5 ! A.189 at -4.58e+07 assign (resid 59 and name HA ) (resid 60 and name HN ) 2.5 0.7 0.4 ! A.176 at -3.95e+08 assign (resid 59 and name HA ) (resid 89 and name HN ) 3.0 1.2 0.5 ! A.684 at -8.25e+07 ! M60 assign (resid 60 and name HG# ) (resid 60 and name HN ) 4.0 2.2 2.5 ! A.1287 at 1.57e+07 assign (resid 60 and name HB# ) (resid 60 and name HN ) 4.0 2.2 1.5 ! A.183 at -5.87e+07 assign (resid 60 and name HA ) (resid 61 and name HN ) 2.5 0.7 0.4 ! A.202 at 3.60e+08 assign (resid 60 and name HG# ) (resid 61 and name HN ) 4.0 2.2 1.5 ! A.192 at 5.48e+07 assign (resid 60 and name HB# ) (resid 61 and name HN ) 4.0 2.2 2.5 ! A.197 at -3.16e+07 assign (resid 60 and name HE# ) (resid 73 and name HN ) 4.0 2.2 1.5 ! A.600 at 6.71e+07 assign (resid 60 and name HN ) (resid 89 and name HB# ) 4.0 2.2 2.5 ! A.188 at -2.91e+07 assign (resid 60 and name HN ) (resid 90 and name HA ) 4.0 2.2 1.0 ! A.179 at 7.66e+07 assign (resid 60 and name HN ) (resid 90 and name HD# ) 4.0 2.2 2.0 ! A.177 at -2.14e+07 assign (resid 60 and name HN ) (resid 91 and name HD* ) 4.0 2.2 2.5 ! A.187 at 3.82e+07 ! A61 assign (resid 61 and name HB# ) (resid 61 and name HN ) 2.5 0.7 0.9 ! A.190 at 3.14e+08 assign (resid 61 and name HB# ) (resid 62 and name HN ) 3.0 1.2 0.5 ! A.206 at 1.94e+08 assign (resid 61 and name HA ) (resid 62 and name HN ) 2.5 0.7 0.4 ! A.217 at -4.71e+08 assign (resid 61 and name HN ) (resid 63 and name HD# ) 4.0 2.2 2.5 ! A.194 at -2.26e+07 assign (resid 61 and name HA ) (resid 91 and name HN ) 3.0 1.2 0.5 ! A.260 at -1.24e+08 assign (resid 61 and name HB# ) (resid 91 and name HN ) 4.0 2.2 2.5 ! A.360 at 4.13e+07 ! W62 assign (resid 62 and name HB# ) (resid 62 and name HN ) 4.0 2.2 1.5 ! A.208 at 7.78e+07 assign (resid 62 and name HN ) (resid 90 and name HA ) 4.0 2.2 2.0 ! A.214 at 2.44e+07 assign (resid 62 and name HB# ) (resid 91 and name HN ) 4.0 2.2 2.5 ! A.363 at 2.39e+07 assign (resid 62 and name HN ) (resid 91 and name HB# ) 4.0 2.2 2.5 ! A.218 at -2.78e+07 assign (resid 62 and name HN ) (resid 92 and name HA# ) 4.0 2.2 2.5 ! A.216 at -3.45e+07 assign (resid 62 and name HB# ) (resid 93 and name HN ) 4.0 2.2 2.5 ! A.1343 at 2.59e+07 assign (resid 62 and name HD1 ) (resid 93 and name HN ) 4.0 2.2 2.0 ! A.719 at -3.42e+07 assign (resid 62 and name HE1 ) (resid 95 and name HA ) 3.0 1.2 1.0 ! A.998 at 2.89e+08 (wd) assign (resid 62 and name HE1 ) (resid 95 and name HB# ) 4.0 2.2 1.5 ! A.1004 at 6.45e+07 assign (resid 62 and name HE1 ) (resid 95 and name HG# ) 4.0 2.2 2.5 ! A.1003 at 1.58e+07 assign (RESid 62 and name HE1 ) (resid 96 and name HG* ) 4.0 2.2 2.5 ! A.1000 at 2.90e+07 ! (Queen 050606) assign (resid 62 and name HE1 ) (resid 70 and name HD* ) 4.0 2.2 2.5 ! A.1513 at 1.07e+07 assign (resid 62 and name HE1 ) (resid 100 and name HD* ) 4.0 2.2 2.5 ! A.1512 at 1.66e+07 assign (resid 62 and name HE1 ) (resid 62 and name HA ) 4.0 2.2 2.5 ! A.1515 at 1.01e+07 assign (resid 62 and name HE1 ) (resid 95 and name HD#) 4.0 2.2 2.5 ! A.1519 at 1.06e+07 ! P63 ! P64 assign (resid 64 and name HG# ) (resid 66 and name HN ) 4.0 2.2 2.5 ! A.544 at 4.19e+07 assign (resid 64 and name HB# ) (resid 66 and name HN ) 3.0 1.2 1.0 ! A.546 at 1.30e+08 assign (resid 64 and name HA ) (resid 66 and name HN ) 4.0 2.2 2.0 ! A.540 at 4.18e+07 ! P65 assign (resid 65 and name HG# ) (resid 66 and name HN ) 3.0 1.2 1.0 ! A.545 at 1.27e+08 assign (resid 65 and name HA ) (resid 66 and name HN ) 3.0 1.2 0.5 ! A.538 at 1.01e+08 assign (resid 65 and name HB# ) (resid 66 and name HN ) 4.0 2.2 1.5 ! A.547 at 6.29e+07 assign (resid 65 and name HD# ) (resid 66 and name HN ) 4.0 2.2 1.5 ! A.542 at -5.20e+07 ! D66 assign (resid 66 and name HB# ) (resid 66 and name HN ) 3.0 1.2 1.0 ! A.539 at -8.21e+07 assign (resid 66 and name HB# ) (resid 67 and name HN ) 4.0 2.2 2.5 ! A.552 at -2.90e+07 assign (resid 66 and name HA ) (resid 67 and name HN ) 4.0 2.2 2.0 ! A.551 at -3.79e+07 assign (resid 66 and name HN ) (resid 67 and name HA ) 4.0 2.2 2.0 ! A.1291 at 2.55e+07 assign (resid 66 and name HB# ) (resid 68 and name HN ) 4.0 2.2 2.5 ! A.559 at -1.94e+07 assign (resid 66 and name HA ) (resid 68 and name HN ) 4.0 2.2 2.0 ! A.1297 at -1.28e+07 ! Q67 assign (resid 67 and name HG# ) (resid 67 and name HN ) 4.0 2.2 2.5 ! A.1295 at -2.62e+07 assign (resid 67 and name HB# ) (resid 67 and name HN ) 4.0 2.2 2.5 ! A.554 at 3.84e+07 assign (resid 67 and name HB# ) (resid 67 and name HE21 ) 4.0 2.2 2.5 ! A.1046 at 2.43e+07 assign (resid 67 and name HG# ) (resid 67 and name HE22 ) 4.0 2.2 2.5 ! A.1047 at -4.20e+07 assign (resid 67 and name HB# ) (resid 68 and name HN ) 4.0 2.2 2.5 ! A.561 at 2.42e+07 assign (resid 67 and name HA ) (resid 68 and name HN ) 4.0 2.2 2.0 ! A.558 at 2.23e+07 assign (resid 67 and name HG# ) (resid 68 and name HN ) 4.0 2.2 2.5 ! A.560 at -2.01e+07 assign (resid 67 and name HA ) (resid 69 and name HN ) 4.0 2.2 1.0 ! A.564 at 5.38e+07 assign (resid 67 and name HG# ) (resid 69 and name HN ) 4.0 2.2 2.5 ! A.1304 at -1.44e+07 ! S68 assign (resid 68 and name HB# ) (resid 68 and name HN ) 4.0 2.2 2.5 ! A.557 at 2.81e+07 assign (resid 68 and name HA ) (resid 69 and name HN ) 4.0 2.2 2.0 ! A.563 at 4.39e+07 assign (resid 68 and name HB# ) (resid 69 and name HN ) 4.0 2.2 2.5 ! A.566 at 2.15e+07 assign (resid 68 and name HA ) (resid 70 and name HN ) 4.0 2.2 2.0 ! A.1309 at 2.54e+07 assign (resid 68 and name HA ) (resid 71 and name HN ) 3.0 1.2 0.5 ! A.580 at 9.13e+07 ! C69 assign (resid 69 and name HB# ) (resid 69 and name HN ) 3.0 1.2 1.0 ! A.567 at 1.17e+08 assign (resid 69 and name HB# ) (resid 70 and name HN ) 4.0 2.2 2.5 ! A.574 at 3.73e+07 assign (resid 69 and name HA ) (resid 71 and name HN ) 4.0 2.2 2.0 ! A.1313 at 2.40e+07 assign (resid 69 and name HA ) (resid 72 and name HN ) 4.0 2.2 1.0 ! A.588 at 5.61e+07 assign (resid 69 and name HA ) (resid 73 and name HN ) 4.0 2.2 2.0 ! A.1315 at 2.02e+07 ! Queen 050606 assign (resid 69 and name HN ) (resid 70 and name HG ) 4.0 2.2 2.0 ! A.1540 at 1.87e+07 assign (resid 69 and name HN ) (resid 71 and name HG ) 4.0 2.2 2.0 ! A.1541 at 2.09e+07 assign (resid 69 and name HN ) (resid 70 and name HB# ) 4.0 2.2 2.0 ! A.1538 at -2.60 e+07 assign (resid 69 and name HN ) (resid 70 and name HD* ) 4.0 2.2 2.5 ! A.1552 at 1.66e+07 assign (resid 69 and name HN ) (resid 67 and name HB# ) 4.0 2.2 2.5 ! A.1554 at 1.45e+07 ! L70 assign (resid 70 and name HD* ) (resid 70 and name HN ) 4.0 2.2 1.0 ! A.576 at 9.16e+07 ! assign (resid 70 and name HD* ) (resid 70 and name HN ) 3.0 1.2 1.0 ! A.575 at 9.10e+07 assign (resid 70 and name HG ) (resid 70 and name HN ) 2.5 0.7 0.4 ! A.573 at 1.65e+08 assign (resid 70 and name HB# ) (resid 70 and name HN ) 2.5 0.7 0.9 ! A.571 at -1.60e+08 assign (resid 70 and name HG ) (resid 71 and name HN ) 4.0 2.2 2.0 ! A.581 at 3.81e+07 assign (resid 70 and name HB# ) (resid 71 and name HN ) 3.0 1.2 1.0 ! A.584 at -9.23e+07 assign (resid 70 and name HA ) (resid 73 and name HN ) 4.0 2.2 1.0 ! A.597 at 6.87e+07 ! L71 assign (resid 71 and name HD* ) (resid 71 and name HN ) 3.0 1.2 1.0 ! A.582 at 8.78e+07 assign (resid 71 and name HB# ) (resid 71 and name HN ) 2.5 0.7 0.9 ! A.583 at -1.65e+08 ! assign (resid 71 and name HD* ) (resid 71 and name HN ) 4.0 2.2 1.0 ! A.578 at 8.10e+07 (wd) assign (resid 71 and name HG ) (resid 71 and name HN ) 2.5 0.7 0.4 ! A.579 at 1.91e+08 assign (resid 71 and name HA ) (resid 72 and name HN ) 4.0 2.2 1.0 ! A.587 at 6.67e+07 assign (resid 71 and name HB# ) (resid 72 and name HN ) 3.0 1.2 1.0 ! A.591 at -8.07e+07 assign (resid 71 and name HA ) (resid 74 and name HN ) 3.0 1.2 0.5 ! A.607 at 1.33e+08 ! L72 ! assign (resid 72 and name HD* ) (resid 72 and name HN ) 4.0 2.2 1.0 ! A.511 at 1.15e+08 assign (resid 72 and name HD* ) (resid 72 and name HN ) 4.0 2.2 1.5 ! A.593 at 7.52e+07 assign (resid 72 and name HB# ) (resid 72 and name HN ) 3.0 1.2 1.0 ! A.590 at -9.85e+07 assign (resid 72 and name HD* ) (resid 73 and name HN ) 4.0 2.2 2.5 ! A.602 at 4.02e+07 assign (resid 72 and name HG ) (resid 73 and name HN ) 4.0 2.2 1.0 ! A.605 at 4.51e+07 ! assign (resid 72 and name HD* ) (resid 73 and name HN ) 4.0 2.2 1.5 ! A.603 at 5.62e+07 assign (resid 72 and name HA ) (resid 75 and name HN ) 4.0 2.2 1.0 ! A.615 at 7.51e+07 assign (resid 72 and name HB# ) (resid 75 and name HN ) 4.0 2.2 2.5 ! A.12 at -2.46e+07 ! L73 assign (resid 73 and name HD* ) (resid 73 and name HN ) 4.0 2.2 1.0 ! A.601 at 8.64e+07 assign (resid 73 and name HB# ) (resid 73 and name HN ) 4.0 2.2 1.5 ! A.598 at -6.38e+07 assign (resid 73 and name HG ) (resid 74 and name HN ) 4.0 2.2 2.0 ! A.614 at 3.45e+07 assign (resid 73 and name HA ) (resid 74 and name HN ) 4.0 2.2 1.0 ! A.608 at 5.58e+07 assign (resid 73 and name HB# ) (resid 74 and name HN ) 4.0 2.2 1.5 ! A.610 at -5.51e+07 ! assign (resid 73 and name HG ) (resid 77 and name HN ) 4.0 2.2 2.0 ! A.909 at 3.90e+07 (Queen 041706) ! Q74 assign (resid 74 and name HB# ) (resid 74 and name HN ) 2.5 0.7 0.9 ! A.613 at 2.63e+08 assign (resid 74 and name HG# ) (resid 74 and name HN ) 4.0 2.2 1.0 ! A.609 at -1.66e+08 (wd) assign (resid 74 and name HG# ) (resid 74 and name HE22 ) 3.0 1.2 0.8 ! A.1052 at -9.82e+07 assign (resid 74 and name HB# ) (resid 74 and name HE21 ) 4.0 2.2 2.5 ! A.1054 at 4.46e+07 assign (resid 74 and name HG# ) (resid 74 and name HE21 ) 2.5 0.7 0.7 ! A.1053 at -1.74e+08 assign (resid 74 and name HB# ) (resid 74 and name HE22 ) 4.0 2.2 2.5 ! A.1050 at 2.56e+07 assign (resid 74 and name HB# ) (resid 75 and name HN ) 3.0 1.2 1.0 ! A.15 at 1.27e+08 assign (resid 74 and name HA ) (resid 75 and name HN ) 4.0 2.2 1.0 ! A.616 at 5.55e+07 assign (resid 74 and name HG# ) (resid 75 and name HN ) 4.0 2.2 1.0 ! A.11 at -8.72e+07 assign (resid 74 and name HN ) (resid 75 and name HB# ) 4.0 2.2 2.5 ! A.1318 at 1.66e+07 assign (resid 74 and name HA ) (resid 77 and name HN ) 4.0 2.2 1.0 ! A.627 at 7.62e+07 assign (resid 74 and name HA ) (resid 78 and name HN ) 4.0 2.2 2.0 ! A.376 at 2.42e+07 ! H75 assign (resid 75 and name HB# ) (resid 75 and name HN ) 2.5 0.7 0.9 ! A.14 at 1.66e+08 assign (resid 75 and name HD2 ) (resid 75 and name HN ) 4.0 2.2 2.0 ! A.18 at -2.13e+07 assign (resid 75 and name HN ) (resid 76 and name HG ) 4.0 2.2 2.0 ! A.16 at 1.21e+07 assign (resid 75 and name HA ) (resid 76 and name HN ) 4.0 2.2 2.0 ! A.620 at 4.40e+07 assign (resid 75 and name HB# ) (resid 76 and name HN ) 4.0 2.2 1.5 ! A.622 at 7.76e+07 assign (resid 75 and name HD2 ) (resid 76 and name HN ) 4.0 2.2 2.0 ! A.625 at -3.36e+07 assign (resid 75 and name HA ) (resid 78 and name HN ) 4.0 2.2 1.0 ! A.377 at 4.72e+07 assign (resid 75 and name HA ) (resid 79 and name HN ) 4.0 2.2 2.0 ! A.643 at 1.89e+07 ! L76 assign (resid 76 and name HG ) (resid 76 and name HN ) 3.0 1.2 0.5 ! A.623 at 1.25e+08 assign (resid 76 and name HD* ) (resid 77 and name HN ) 4.0 2.2 2.5 ! A.636 at 3.20e+07 assign (resid 76 and name HA ) (resid 77 and name HN ) 4.0 2.2 1.0 ! A.628 at 7.84e+07 assign (resid 76 and name HB# ) (resid 77 and name HN ) 4.0 2.2 1.5 ! A.630 at -6.37e+07 assign (resid 76 and name HN ) (resid 77 and name HB# ) 4.0 2.2 2.5 ! A.1265 at -1.40e+07 ! R77 assign (resid 77 and name HB# ) (resid 77 and name HE ) 4.0 2.2 2.5 ! A.1015 at 1.41e+07 assign (resid 77 and name HG# ) (resid 77 and name HN ) 4.0 2.2 1.5 ! A.633 at 6.63e+07 assign (resid 77 and name HB# ) (resid 77 and name HN ) 3.0 1.2 1.0 ! A.635 at 1.24e+08 assign (resid 77 and name HD# ) (resid 77 and name HN ) 4.0 2.2 2.5 ! A.631 at -3.47e+07 assign (resid 77 and name HA ) (resid 78 and name HN ) 4.0 2.2 1.0 ! A.375 at 5.30e+07 assign (resid 77 and name HA ) (resid 79 and name HN ) 4.0 2.2 2.0 ! A.1324 at 3.04e+07 assign (resid 77 and name HA ) (resid 80 and name HN ) 4.0 2.2 2.0 ! A.291 at 2.09e+07 ! E78 assign (resid 78 and name HB# ) (resid 78 and name HN ) 2.5 0.7 0.9 ! A.379 at 2.20e+08 assign (resid 78 and name HG# ) (resid 78 and name HN ) 4.0 2.2 1.0 ! A.381 at -1.43e+08 (wd) assign (resid 78 and name HN ) (resid 79 and name HB# ) 4.0 2.2 2.5 ! A.1163 at 1.41e+07 assign (resid 78 and name HN ) (resid 79 and name HA ) 4.0 2.2 2.0 ! A.384 at 1.39e+07 assign (resid 78 and name HN ) (resid 79 and name HD2 ) 4.0 2.2 2.0 ! A.382 at -2.09e+07 assign (resid 78 and name HB# ) (resid 79 and name HN ) 4.0 2.2 1.5 ! A.646 at 5.87e+07 assign (resid 78 and name HA ) (resid 79 and name HN ) 3.0 1.2 1.0 ! A.1326 at 1.39e+08 (wd) assign (resid 78 and name HG# ) (resid 79 and name HN ) 4.0 2.2 2.5 ! A.642 at -2.51e+07 ! H79 assign (resid 79 and name HB# ) (resid 79 and name HN ) 3.0 1.2 1.0 ! A.645 at 1.23e+08 assign (resid 79 and name HD2 ) (resid 79 and name HN ) 4.0 2.2 1.0 ! A.638 at -5.08e+07 assign (resid 79 and name HA ) (resid 80 and name HN ) 4.0 2.2 1.0 ! A.288 at 7.24e+07 assign (resid 79 and name HB# ) (resid 80 and name HN ) 4.0 2.2 2.5 ! A.293 at 1.26e+07 assign (resid 79 and name HA ) (resid 81 and name HN ) 4.0 2.2 2.0 ! A.650 at 3.60e+07 ! Q80 assign (resid 80 and name HB# ) (resid 80 and name HN ) 2.5 0.7 0.9 ! A.292 at 2.51e+08 assign (resid 80 and name HG# ) (resid 80 and name HN ) 4.0 2.2 1.0 ! A.289 at -1.23e+08 assign (resid 80 and name HN ) (resid 81 and name HB# ) 4.0 2.2 2.5 ! A.290 at 2.67e+07 assign (resid 80 and name HB# ) (resid 81 and name HN ) 4.0 2.2 1.5 ! A.654 at 5.54e+07 assign (resid 80 and name HA ) (resid 81 and name HN ) 4.0 2.2 1.0 ! A.649 at 7.23e+07 assign (resid 80 and name HG# ) (resid 81 and name HN ) 4.0 2.2 2.5 ! A.651 at -4.44e+07 assign (resid 80 and name HA ) (resid 82 and name HN ) 4.0 2.2 2.5 ! A.656 at 8.92e+07 (wd) ! A81 assign (resid 81 and name HB# ) (resid 81 and name HN ) 2.5 0.7 0.9 ! A.653 at 3.26e+08 assign (resid 81 and name HB# ) (resid 82 and name HN ) 3.0 1.2 1.0 ! A.663 at 1.34e+08 assign (resid 81 and name HA ) (resid 82 and name HN ) 3.0 1.2 0.5 ! A.658 at -1.38e+08 assign (resid 81 and name HN ) (resid 82 and name HB# ) 4.0 2.2 2.5 ! A.652 at -1.86e+07 ! D82 assign (resid 82 and name HB# ) (resid 82 and name HN ) 2.5 0.7 0.9 ! A.664 at -2.95e+08 assign (resid 82 and name HN ) (resid 85 and name HG# ) 4.0 2.2 2.5 ! A.662 at 3.11e+07 assign (resid 82 and name HN ) (resid 85 and name HD# ) 4.0 2.2 1.5 ! A.661 at -5.66e+07 ! P83 assign (resid 83 and name HB# ) (resid 84 and name HN ) 4.0 2.2 1.5 ! A.670 at 7.06e+07 assign (resid 83 and name HA ) (resid 84 and name HN ) 3.0 1.2 1.0 ! A.1331 at 3.47e+08 assign (resid 83 and name HG# ) (resid 84 and name HN ) 4.0 2.2 1.5 ! A.668 at 7.86e+07 ! H84 assign (resid 84 and name HD2 ) (resid 84 and name HN ) 4.0 2.2 2.0 ! A.1332 at -1.92e+07 assign (resid 84 and name HB# ) (resid 84 and name HN ) 3.0 1.2 1.0 ! A.671 at 1.40e+08 assign (resid 84 and name HN ) (resid 85 and name HD# ) 3.0 1.2 1.0 ! A.672 at -1.27e+08 ! P85 ! P86 assign (resid 86 and name HB# ) (resid 87 and name HN ) 4.0 2.2 1.5 ! A.677 at 4.73e+07 assign (resid 86 and name HA ) (resid 87 and name HN ) 3.0 1.2 1.0 ! A.675 at 3.96e+08 ! L87 assign (resid 87 and name HD* ) (resid 87 and name HN ) 3.0 1.2 1.0 ! A.680 at 9.42e+07 assign (resid 87 and name HG ) (resid 87 and name HN ) 4.0 2.2 1.5 ! A.678 at 1.38e+08 assign (resid 87 and name HB# ) (resid 87 and name HN ) 4.0 2.2 1.5 ! A.681 at -7.36e+07 assign (resid 87 and name HD* ) (resid 88 and name HN ) 4.0 2.2 1.5 ! A.1083 at 1.12e+08 (wd,ov) assign (resid 87 and name HA ) (resid 88 and name HN ) 2.5 0.7 0.4 ! A.1071 at 3.48e+08 assign (resid 87 and name HG ) (resid 88 and name HN ) 4.0 2.2 2.0 ! A.1075 at 2.37e+07 assign (resid 87 and name HB# ) (resid 88 and name HN ) 3.0 1.2 1.0 ! A.1080 at -8.14e+07 assign (resid 87 and name HA ) (resid 105 and name HN ) 4.0 2.2 2.0 ! A.1363 at 2.18e+07 ! assign (resid 87 and name HD* ) (resid 124 and name HN ) 4.0 2.2 2.5 ! A.942 at 9.76e+07 (wd)(Queen 041706) ! V88 assign (resid 88 and name HG* ) (resid 88 and name HN ) 3.0 1.2 1.0 ! A.1076 at 8.60e+07 assign (resid 88 and name HB ) (resid 88 and name HN ) 2.5 0.7 0.9 ! A.1072 at -1.89e+08 assign (resid 88 and name HG* ) (resid 89 and name HN ) 4.0 2.2 1.0 ! A.688 at 1.50e+08 (wd) assign (resid 88 and name HA ) (resid 89 and name HN ) 2.5 0.7 0.4 ! A.683 at 4.15e+08 assign (resid 88 and name HB ) (resid 89 and name HN ) 4.0 2.2 2.0 ! A.685 at -2.32e+07 assign (resid 88 and name HN ) (resid 104 and name HA ) 4.0 2.2 2.0 ! A.1070 at -4.26e+07 assign (resid 88 and name HN ) (resid 105 and name HB# ) 4.0 2.2 2.5 ! A.1074 at 1.76e+07 ! assign (resid 88 and name HG* ) (resid 105 and name HN ) 4.0 2.2 2.5 ! A.1365 at 2.19e+07 assign (resid 88 and name HG* ) (resid 105 and name HN ) 4.0 2.2 2.5 ! A.808 at 4.14e+07 assign (resid 88 and name HB ) (resid 105 and name HN ) 4.0 2.2 2.5 ! A.806 at -5.35e+07 ! L89 assign (resid 89 and name HG ) (resid 89 and name HN ) 4.0 2.2 2.0 ! A.692 at 3.62e+07 ! assign (resid 89 and name HD* ) (resid 89 and name HN ) 4.0 2.2 1.5 ! A.689 at 9.62e+07 assign (resid 89 and name HD* ) (resid 89 and name HN ) 4.0 2.2 2.5 ! A.694 at 3.27e+07 assign (resid 89 and name HB# ) (resid 89 and name HN ) 3.0 1.2 1.0 ! A.690 at -1.11e+08 assign (resid 89 and name HA ) (resid 90 and name HN ) 2.5 0.7 0.4 ! A.697 at 3.27e+08 assign (resid 89 and name HB# ) (resid 90 and name HN ) 3.0 1.2 1.0 ! A.702 at -8.27e+07 assign (resid 89 and name HG ) (resid 90 and name HN ) 4.0 2.2 2.0 ! A.1336 at 4.36e+07 assign (resid 89 and name HA ) (resid 105 and name HN ) 4.0 2.2 1.0 ! A.1064 at 4.79e+07 assign (resid 89 and name HG ) (resid 105 and name HN ) 4.0 2.2 2.5 ! A.1362 at 1.95e+07 (wd) assign (resid 89 and name HG ) (resid 106 and name HN ) 4.0 2.2 2.5 ! A.820 at 1.22e+08 (wd,ov) assign (resid 89 and name HA ) (resid 106 and name HN ) 3.0 1.2 1.0 ! A.812 at 1.69e+08 (wd) assign (resid 89 and name HD* ) (resid 106 and name HN ) 4.0 2.2 1.5 ! A.818 at 5.92e+07 ! F90 assign (resid 90 and name HB# ) (resid 90 and name HN ) 4.0 2.2 2.5 ! A.698 at -4.45e+07 assign (resid 90 and name HD# ) (resid 90 and name HN ) 4.0 2.2 2.0 ! A.1338 at -2.89e+07 assign (resid 90 and name HA ) (resid 91 and name HN ) 2.5 0.7 0.4 ! A.364 at 3.15e+08 ! assign (resid 90 and name HD# ) (resid 91 and name HN ) 4.0 2.2 2.0 ! A.1162 at -4.29e+07 assign (resid 90 and name HB# ) (resid 91 and name HN ) 4.0 2.2 1.5 ! A.359 at -4.84e+07 assign (resid 90 and name HE# ) (resid 104 and name HN ) 4.0 2.2 2.0 ! A.311 at -2.76e+07 assign (resid 90 and name HN ) (resid 104 and name HB# ) 4.0 2.2 1.5 ! A.700 at 7.91e+07 assign (resid 90 and name HN ) (resid 107 and name HA ) 3.0 1.2 0.5 ! A.696 at 1.10e+08 assign (resid 90 and name HN ) (resid 107 and name HG2# ) 4.0 2.2 1.5 ! A.699 at 5.21e+07 assign (resid 90 and name HN ) (resid 107 and name HG1# ) 4.0 2.2 2.5 ! A.703 at 2.99e+07 assign (resid 90 and name HN ) (resid 107 and name HD1# ) 4.0 2.2 2.5 ! A.705 at 3.62e+07 assign (resid 90 and name HB# ) (resid 108 and name HN ) 4.0 2.2 2.5 ! A.1369 at -1.54e+07 ! L91 assign (resid 91 and name HD* ) (resid 91 and name HN ) 4.0 2.2 1.5 ! A.368 at 6.77e+07 assign (resid 91 and name HG ) (resid 91 and name HN ) 3.0 1.2 0.5 ! A.369 at 1.02e+08 ! assign (resid 91 and name HD* ) (resid 91 and name HN ) 4.0 2.2 1.5 ! A.367 at 6.12e+07 assign (resid 91 and name HB# ) (resid 91 and name HN ) 4.0 2.2 1.5 ! A.365 at -7.00e+07 assign (resid 91 and name HD* ) (resid 92 and name HN ) 4.0 2.2 1.0 ! A.712 at 1.01e+08 (wd) assign (resid 91 and name HG ) (resid 92 and name HN ) 4.0 2.2 2.0 ! A.1340 at 1.69e+07 assign (resid 91 and name HA ) (resid 92 and name HN ) 2.5 0.7 0.4 ! A.714 at -4.15e+08 assign (resid 91 and name HB# ) (resid 92 and name HN ) 4.0 2.2 2.5 ! A.711 at -3.91e+07 assign (resid 91 and name HA ) (resid 108 and name HN ) 4.0 2.2 1.0 ! A.832 at -8.00e+07 ! Queen 041706 ! assign (resid 91 and name HA ) (resid 110 and name HN ) 4.0 2.2 2.0 ! A.1375 at -1.43e+07 ! G92 assign (resid 92 and name HA# ) (resid 93 and name HN ) 2.5 0.7 0.9 ! A.717 at -2.66e+08 assign (resid 92 and name HN ) (resid 109 and name HB# ) 4.0 2.2 2.5 ! A.710 at 2.72e+07 assign (resid 92 and name HN ) (resid 109 and name HA ) 3.0 1.2 0.5 ! A.706 at 1.14e+08 ! E93 assign (resid 93 and name HB# ) (resid 93 and name HN ) 2.5 0.7 0.9 ! A.722 at 2.32e+08 assign (resid 93 and name HG# ) (resid 93 and name HN ) 2.5 0.7 0.9 ! A.716 at -2.77e+08 ! P94 ! P95 assign (resid 95 and name HA ) (resid 96 and name HN ) 2.5 0.7 0.9 ! A.724 at 4.57e+08 assign (resid 95 and name HB# ) (resid 96 and name HN ) 3.0 1.2 1.0 ! A.727 at 1.03e+08 assign (resid 95 and name HD# ) (resid 96 and name HN ) 4.0 2.2 2.5 ! A.1165 at -1.04e+07 assign (resid 95 and name HB# ) (resid 97 and name HN ) 4.0 2.2 2.0 ! A.491 at 1.34e+08 (wd) assign (resid 95 and name HB# ) (resid 100 and name HN ) 4.0 2.2 2.5 ! A.763 at 2.84e+07 assign (resid 95 and name HB# ) (resid 101 and name HN ) 4.0 2.2 1.5 ! A.770 at 5.96e+07 assign (resid 95 and name HG# ) (resid 101 and name HN ) 4.0 2.2 2.5 ! A.1354 at 2.32e+07 ! V96 assign (resid 96 and name HB ) (resid 96 and name HN ) 2.5 0.7 0.9 ! A.728 at 1.88e+08 (wd) assign (resid 96 and name HG* ) (resid 96 and name HN ) 3.0 1.2 1.0 ! A.726 at 3.75e+08 (ov,wd) assign (resid 96 and name HG* ) (resid 97 and name HN ) 3.0 1.2 1.0 ! A.731 at 2.09e+08 (ov,wd) assign (resid 96 and name HB ) (resid 97 and name HN ) 3.0 1.2 1.0 ! A.733 at 1.41e+08 assign (resid 96 and name HA ) (resid 97 and name HN ) 3.0 1.2 1.0 ! A.1347 at 2.21e+08 (wd) assign (resid 96 and name HN ) (resid 97 and name HB# ) 4.0 2.2 2.5 ! A.725 at -3.16e+07 ! D97 assign (resid 97 and name HB# ) (resid 97 and name HN ) 2.5 0.7 0.9 ! A.730 at -3.90e+08 assign (resid 97 and name HN ) (resid 98 and name HD# ) 4.0 2.2 1.5 ! A.734 at -5.30e+07 assign (resid 97 and name HB# ) (resid 99 and name HN ) 4.0 2.2 2.5 ! A.740 at -3.31e+07 assign (resid 97 and name HA ) (resid 99 and name HN ) 4.0 2.2 1.0 ! A.750 at -4.91e+07 assign (resid 97 and name HN ) (resid 100 and name HG ) 4.0 2.2 2.0 ! A.732 at 4.35e+07 assign (resid 97 and name HB# ) (resid 100 and name HN ) 4.0 2.2 1.5 ! A.756 at -6.41e+07 assign (resid 97 and name HA ) (resid 100 and name HN ) 4.0 2.2 2.0 ! A.1352 at -2.11e+07 ! P98 assign (resid 98 and name HB# ) (resid 99 and name HN ) 3.0 1.2 1.0 ! A.747 at 9.80e+07 assign (resid 98 and name HA ) (resid 99 and name HN ) 3.0 1.2 0.8 ! A.739 at 8.30e+07 assign (resid 98 and name HG# ) (resid 99 and name HN ) 2.5 0.7 0.9 ! A.746 at 1.81e+08 assign (resid 98 and name HD# ) (resid 99 and name HN ) 3.0 1.2 1.0 ! A.749 at -1.09e+08 assign (resid 98 and name HA ) (resid 100 and name HN ) 4.0 2.2 2.0 ! A.754 at 4.02e+07 assign (resid 98 and name HA ) (resid 101 and name HN ) 3.0 1.2 0.8 ! A.768 at 1.50e+08 (wd) assign (resid 98 and name HA ) (resid 102 and name HN ) 4.0 2.2 1.0 ! A.782 at 7.90e+07 ! L99 assign (resid 99 and name HG ) (resid 99 and name HN ) 4.0 2.2 1.0 ! A.745 at 1.78e+08 (wd) assign (resid 99 and name HB# ) (resid 99 and name HN ) 2.5 0.7 0.9 ! A.743 at -2.12e+08 assign (resid 99 and name HD* ) (resid 100 and name HN ) 4.0 2.2 2.5 ! A.418 at 3.53e+07 assign (resid 99 and name HA ) (resid 100 and name HN ) 4.0 2.2 1.0 ! A.753 at 7.33e+07 assign (resid 99 and name HB# ) (resid 100 and name HN ) 4.0 2.2 1.5 ! A.758 at -6.72e+07 assign (resid 99 and name HA ) (resid 101 and name HN ) 4.0 2.2 2.0 ! A.777 at 2.60e+07 assign (resid 99 and name HA ) (resid 102 and name HN ) 3.0 1.2 0.5 ! A.779 at 9.21e+07 ! L100 ! assign (resid 100 and name HD* ) (resid 100 and name HN ) 3.0 1.2 1.0 ! A.760 at 9.65e+07 assign (resid 100 and name HG ) (resid 100 and name HN ) 4.0 2.2 2.0 ! A.762 at 1.65e+08 (wd,ov) assign (resid 100 and name HD* ) (resid 100 and name HN ) 4.0 2.2 2.0 ! A.761 at 9.24e+07 (wd,ov) assign (resid 100 and name HB# ) (resid 100 and name HN ) 4.0 2.2 1.5 ! A.757 at -7.75e+07 assign (resid 100 and name HN ) (resid 101 and name HB ) 4.0 2.2 2.0 ! A.755 at 3.16e+07 assign (resid 100 and name HN ) (resid 101 and name HA ) 4.0 2.2 2.0 ! A.1350 at 1.69e+07 assign (resid 100 and name HG ) (resid 101 and name HN ) 4.0 2.2 1.0 ! A.769 at 5.09e+07 assign (resid 100 and name HD* ) (resid 101 and name HN ) 4.0 2.2 2.5 ! A.772 at 3.50e+07 assign (resid 100 and name HA ) (resid 101 and name HN ) 3.0 1.2 1.0 ! A.776 at 8.50e+07 assign (resid 100 and name HB# ) (resid 101 and name HN ) 3.0 1.2 1.0 ! A.774 at -9.06e+07 assign (resid 100 and name HA ) (resid 102 and name HN ) 4.0 2.2 2.0 ! A.780 at 2.93e+07 assign (resid 100 and name HA ) (resid 103 and name HN ) 3.0 1.2 0.5 ! A.789 at 8.93e+07 assign (resid 100 and name HA ) (resid 104 and name HN ) 4.0 2.2 2.0 ! A.1068 at 2.01e+07 ! T101 assign (resid 101 and name HG2# ) (resid 101 and name HN ) 4.0 2.2 1.0 ! A.771 at 1.94e+08 (wd) assign (resid 101 and name HB ) (resid 101 and name HN ) 2.5 0.7 0.4 ! A.766 at 2.37e+08 assign (resid 101 and name HA ) (resid 102 and name HN ) 4.0 2.2 1.0 ! A.783 at 7.22e+07 assign (resid 101 and name HG2# ) (resid 102 and name HN ) 4.0 2.2 1.0 ! A.1067 at 1.10e+08 assign (resid 101 and name HB ) (resid 102 and name HN ) 2.5 0.7 0.4 ! A.784 at 2.19e+08 assign (resid 101 and name HB ) (resid 103 and name HN ) 4.0 2.2 2.0 ! A.793 at 1.96e+07 assign (resid 101 and name HA ) (resid 103 and name HN ) 4.0 2.2 2.0 ! A.792 at 3.60e+07 ! A102 assign (resid 102 and name HB# ) (resid 102 and name HN ) 2.5 0.7 0.9 ! A.786 at 8.83e+08 assign (resid 102 and name HB# ) (resid 103 and name HN ) 3.0 1.2 1.0 ! A.794 at 2.29e+08 ! Q103 assign (resid 103 and name HB# ) (resid 103 and name HN ) 2.5 0.7 0.9 ! A.798 at 2.01e+08 assign (resid 103 and name HG# ) (resid 103 and name HN ) 4.0 2.2 1.0 ! A.788 at -1.83e+08 (wd) assign (resid 103 and name HG# ) (resid 103 and name HE21 ) 3.0 1.2 0.8 ! A.1021 at -1.40e+08 assign (resid 103 and name HG# ) (resid 103 and name HE22 ) 4.0 2.2 1.5 ! A.1028 at -6.40e+07 assign (resid 103 and name HB# ) (resid 104 and name HN ) 4.0 2.2 1.5 ! A.312 at 6.88e+07 assign (resid 103 and name HG# ) (resid 104 and name HN ) 4.0 2.2 1.5 ! A.307 at -6.48e+07 assign (resid 103 and name HN ) (resid 104 and name HB# ) 4.0 2.2 1.5 ! A.795 at 7.41e+07 assign (resid 103 and name HN ) (resid 104 and name HA ) 4.0 2.2 2.0 ! A.800 at -2.15e+07 ! A104 assign (resid 104 and name HB# ) (resid 104 and name HN ) 2.5 0.7 0.9 ! A.316 at 6.28e+08 assign (resid 104 and name HB# ) (resid 105 and name HN ) 2.5 0.7 0.9 ! A.807 at 1.94e+08 assign (resid 104 and name HA ) (resid 105 and name HN ) 2.5 0.7 0.4 ! A.803 at -4.22e+08 assign (resid 104 and name HB# ) (resid 106 and name HN ) 3.0 1.2 1.0 ! A.816 at 2.96e+08 assign (resid 104 and name HA ) (resid 106 and name HN ) 4.0 2.2 2.0 ! A.1065 at -1.38e+08 (wd,ov) ! S105 assign (resid 105 and name HB# ) (resid 105 and name HN ) 3.0 1.2 1.0 ! A.802 at 9.97e+07 assign (resid 105 and name HB# ) (resid 106 and name HN ) 3.0 1.2 1.0 ! A.814 at 9.45e+07 assign (resid 105 and name HA ) (resid 106 and name HN ) 3.0 1.2 0.5 ! A.813 at 8.27e+07 ! A106 assign (resid 106 and name HB# ) (resid 106 and name HN ) 3.0 1.2 1.0 ! A.817 at 2.55e+08 assign (resid 106 and name HB# ) (resid 107 and name HN ) 3.0 1.2 1.0 ! A.827 at 5.38e+08 (wd,ov) assign (resid 106 and name HA ) (resid 107 and name HN ) 2.5 0.7 0.4 ! A.751 at -7.91e+08 assign (resid 106 and name HN ) (resid 107 and name HD1# ) 4.0 2.2 2.5 ! A.1086 at 2.87e+07 ! I107 assign (resid 107 and name HG2# ) (resid 107 and name HN ) 4.0 2.2 1.0 ! A.826 at 9.90e+07 assign (resid 107 and name HG1# ) (resid 107 and name HN ) 4.0 2.2 1.5 ! A.829 at 4.91e+07 assign (resid 107 and name HD1# ) (resid 107 and name HN ) 4.0 2.2 1.5 ! A.825 at 1.02e+08 (wd,ov) assign (resid 107 and name HB ) (resid 107 and name HN ) 2.5 0.7 0.4 ! A.824 at -2.47e+08 assign (resid 107 and name HG2# ) (resid 108 and name HN ) 3.0 1.2 1.0 ! A.834 at 1.73e+08 assign (resid 107 and name HG1# ) (resid 108 and name HN ) 4.0 2.2 2.5 ! A.1370 at 2.72e+07 assign (resid 107 and name HA ) (resid 108 and name HN ) 2.5 0.7 0.4 ! A.831 at 3.24e+08 assign (resid 107 and name HD1# ) (resid 108 and name HN ) 4.0 2.2 2.5 ! A.833 at 3.31e+07 assign (resid 107 and name HB ) (resid 108 and name HN ) 4.0 2.2 2.0 ! A.1368 at -2.41e+07 assign (resid 107 and name HN ) (resid 108 and name HD* ) 4.0 2.2 1.0 ! A.744 at 1.13e+08 ! L108 assign (resid 108 and name HD* ) (resid 108 and name HN ) 4.0 2.2 1.0 ! A.839 at 8.89e+07 assign (resid 108 and name HG ) (resid 108 and name HN ) 3.0 1.2 1.0 ! A.837 at 9.00e+07(wd) ! assign (resid 108 and name HD* ) (resid 108 and name HN ) 4.0 2.2 1.0 ! A.836 at 1.14e+08(wd,ov) assign (resid 108 and name HB# ) (resid 108 and name HN ) 3.0 1.2 1.0 ! A.835 at -1.45e+08 assign (resid 108 and name HG ) (resid 109 and name HN ) 4.0 2.2 1.5 ! A.1372 at 6.17e+07 assign (resid 108 and name HD* ) (resid 109 and name HN ) 4.0 2.2 2.5 ! A.1373 at 8.52e+07(wd,ov) ! assign (resid 108 and name HD* ) (resid 109 and name HN ) 4.0 2.2 2.0 ! A.479 at 1.47e+08(wd,ov) assign (resid 108 and name HA ) (resid 109 and name HN ) 2.5 0.7 0.4 ! A.1371 at 4.99e+08 assign (resid 108 and name HB# ) (resid 109 and name HN ) 3.0 1.2 1.0 ! A.477 at -1.43e+08 ! S109 assign (resid 109 and name HB# ) (resid 109 and name HN ) 2.5 0.7 0.9 ! A.474 at 4.47e+08 assign (resid 109 and name HA ) (resid 110 and name HN ) 3.0 1.2 1.0 ! A.840 at 4.61e+08(wd,ov) ! K110 assign (resid 110 and name HG# ) (resid 110 and name HN ) 4.0 2.2 1.5 ! A.843 at 7.35e+07 assign (resid 110 and name HB# ) (resid 110 and name HN ) 3.0 1.2 1.0 ! A.845 at -1.14e+08 assign (resid 110 and name HN ) (resid 111 and name HA ) 4.0 2.2 2.0 ! A.1377 at 2.90e+07 assign (resid 110 and name HG# ) (resid 112 and name HN ) 4.0 2.2 2.5 ! A.858 at 3.41e+07 ! P111 assign (resid 111 and name HA ) (resid 112 and name HN ) 2.5 0.7 0.4 ! A.849 at 2.63e+08 assign (resid 111 and name HB# ) (resid 112 and name HN ) 4.0 2.2 1.5 ! A.853 at -6.07e+07 ! L112 assign (resid 112 and name HD* ) (resid 112 and name HN ) 4.0 2.2 1.5 ! A.857 at 5.39e+07 assign (resid 112 and name HB# ) (resid 112 and name HN ) 3.0 1.2 1.0 ! A.856 at -1.42e+08 assign (resid 112 and name HN ) (resid 113 and name HB# ) 4.0 2.2 2.5 ! A.1378 at -1.70e+07 assign (resid 112 and name HB# ) (resid 113 and name HN ) 3.0 1.2 1.0 ! A.863 at -8.21e+07 assign (resid 112 and name HD* ) (resid 113 and name HN ) 3.0 1.2 1.0 ! A.864 at 1.07e+08 assign (resid 112 and name HA ) (resid 113 and name HN ) 3.0 1.2 1.0 ! A.861 at 7.06e+08(wd) ! (Queen 041706) ! assign (resid 112 and name HN ) (resid 117 and name HG ) 4.0 2.2 1.5 ! A.860 at 8.46e+07 ! D113 assign (resid 113 and name HB# ) (resid 113 and name HN ) 2.5 0.7 0.9 ! A.867 at -1.59e+08 assign (resid 113 and name HN ) (resid 114 and name HD# ) 4.0 2.2 2.5 ! A.868 at -3.03e+07 assign (resid 113 and name HN ) (resid 114 and name HA ) 4.0 2.2 2.0 ! A.1384 at 1.45e+07 assign (resid 113 and name HA ) (resid 115 and name HN ) 4.0 2.2 2.0 ! A.871 at -4.34e+07 assign (resid 113 and name HA ) (resid 116 and name HN ) 4.0 2.2 2.0 ! A.885 at -2.14e+07 assign (resid 113 and name HB# ) (resid 116 and name HN ) 4.0 2.2 1.5 ! A.1400 at -5.34e+07 ! P114 assign (resid 114 and name HB# ) (resid 115 and name HN ) 4.0 2.2 1.5 ! A.878 at 1.51e+08(wd,ov) assign (resid 114 and name HA ) (resid 115 and name HN ) 4.0 2.2 1.0 ! A.870 at 6.59e+07 assign (resid 114 and name HD# ) (resid 115 and name HN ) 3.0 1.2 1.0 ! A.872 at -1.24e+08 assign (resid 114 and name HA ) (resid 116 and name HN ) 4.0 2.2 2.0 ! A.884 at 3.32e+07 assign (resid 114 and name HA ) (resid 117 and name HN ) 3.0 1.2 0.5 ! A.896 at 8.25e+07 assign (resid 114 and name HB# ) (resid 118 and name HN ) 4.0 2.2 2.5 ! A.1414 at 1.29e+07 assign (resid 114 and name HA ) (resid 118 and name HN ) 4.0 2.2 2.0 ! A.1412 at 3.44e+07 ! Q115 assign (resid 115 and name HB# ) (resid 115 and name HN ) 2.5 0.7 0.9 ! A.877 at 5.48e+08 assign (resid 115 and name HG# ) (resid 115 and name HN ) 2.5 0.7 0.9 ! A.875 at -2.16e+08 assign (resid 115 and name HG# ) (resid 115 and name HE21 ) 2.5 0.7 0.7 ! A.1042 at -1.92e+08 assign (resid 115 and name HB# ) (resid 116 and name HN ) 2.5 0.7 0.9 ! A.892 at 2.74e+08 assign (resid 115 and name HA ) (resid 116 and name HN ) 3.0 1.2 0.5 ! A.881 at 9.15e+07 assign (resid 115 and name HG# ) (resid 116 and name HN ) 4.0 2.2 1.0 ! A.883 at -8.79e+07 assign (resid 115 and name HN ) (resid 116 and name HB# ) 4.0 2.2 2.5 ! A.876 at -2.75e+07 assign (resid 115 and name HB# ) (resid 117 and name HN ) 4.0 2.2 2.5 ! A.1109 at 2.40e+07 assign (resid 115 and name HN ) (resid 118 and name HB# ) 4.0 2.2 2.5 ! A.1396 at -2.64e+07 assign (resid 115 and name HA ) (resid 119 and name HN ) 4.0 2.2 2.0 ! A.922 at 3.22e+07 ! L116 assign (resid 116 and name HD* ) (resid 116 and name HN ) 4.0 2.2 1.0 ! A.890 at 9.21e+07 assign (resid 116 and name HG ) (resid 116 and name HN ) 4.0 2.2 1.0 ! A.891 at 6.70e+07 assign (resid 116 and name HB# ) (resid 116 and name HN ) 2.5 0.7 0.9 ! A.886 at -2.27e+08 assign (resid 116 and name HA ) (resid 117 and name HN ) 4.0 2.2 2.0 ! A.895 at 4.45e+07 assign (resid 116 and name HB# ) (resid 117 and name HN ) 3.0 1.2 1.0 ! A.904 at -1.17e+08 assign (resid 116 and name HN ) (resid 119 and name HB ) 4.0 2.2 2.0 ! A.1399 at 1.41e+07 assign (resid 116 and name HA ) (resid 119 and name HN ) 4.0 2.2 1.0 ! A.921 at 7.53e+07 assign (resid 116 and name HA ) (resid 120 and name HN ) 4.0 2.2 1.0 ! A.617 at 5.31e+07 assign (resid 116 and name HG ) (resid 120 and name HN ) 4.0 2.2 2.0 ! A.930 at 3.46e+07 ! L117 assign (resid 117 and name HG ) (resid 117 and name HN ) 4.0 2.2 1.0 ! A.934 at 9.46e+07(wd) assign (resid 117 and name HD* ) (resid 117 and name HN ) 4.0 2.2 1.5 ! A.905 at 7.34e+07 assign (resid 117 and name HB# ) (resid 117 and name HN ) 3.0 1.2 1.0 ! A.902 at -1.34e+08 assign (resid 117 and name HB# ) (resid 118 and name HN ) 4.0 2.2 2.5 ! A.913 at -4.09e+07 assign (resid 117 and name HA ) (resid 120 and name HN ) 4.0 2.2 1.0 ! A.927 at 7.43e+07 ! L118 assign (resid 118 and name HD* ) (resid 118 and name HN ) 4.0 2.2 1.5 ! A.912 at 6.56e+07 assign (resid 118 and name HG ) (resid 118 and name HN ) 4.0 2.2 1.5 ! A.908 at 8.85e+07 assign (resid 118 and name HB# ) (resid 118 and name HN ) 2.5 0.7 0.9 ! A.911 at -1.53e+08 assign (resid 118 and name HN ) (resid 119 and name HB ) 4.0 2.2 2.0 ! A.502 at 2.11e+07 assign (resid 118 and name HB# ) (resid 119 and name HN ) 4.0 2.2 1.5 ! A.919 at -7.54e+07 assign (resid 118 and name HA ) (resid 119 and name HN ) 4.0 2.2 1.0 ! A.924 at 6.90e+07 assign (resid 118 and name HG ) (resid 119 and name HN ) 4.0 2.2 1.0 ! A.923 at 5.12e+07 assign (resid 118 and name HD* ) (resid 122 and name HN ) 4.0 2.2 2.5 ! A.1423 at 2.75e+07 ! T119 assign (resid 119 and name HG2# ) (resid 119 and name HN ) 4.0 2.2 1.0 ! A.918 at 2.08e+08(wd) assign (resid 119 and name HB ) (resid 119 and name HN ) 2.5 0.7 0.4 ! A.917 at 2.27e+08 assign (resid 119 and name HG2# ) (resid 120 and name HN ) 4.0 2.2 1.5 ! A.928 at 7.88e+07 assign (resid 119 and name HA ) (resid 122 and name HN ) 4.0 2.2 1.0 ! A.348 at 6.61e+07 ! T120 assign (resid 120 and name HG2# ) (resid 120 and name HN ) 4.0 2.2 1.0 ! A.618 at 1.09e+08 assign (resid 120 and name HB ) (resid 120 and name HN ) 2.5 0.7 0.4 ! A.925 at 2.67e+08 assign (resid 120 and name HG2# ) (resid 121 and name HN ) 4.0 2.2 1.5 ! A.937 at 7.13e+07 assign (resid 120 and name HB ) (resid 121 and name HN ) 3.0 1.2 0.5 ! A.932 at 9.56e+07 assign (resid 120 and name HA ) (resid 121 and name HN ) 4.0 2.2 2.0 ! A.933 at 3.36e+07 assign (resid 120 and name HB ) (resid 122 and name HN ) 4.0 2.2 2.0 ! A.349 at 2.43e+07 ! assign (resid 120 and name HG2# ) (resid 124 and name HN ) 4.0 2.2 2.5 ! A.1066 at 1.98e+07 (Queen 042806) ! L121 assign (resid 121 and name HD* ) (resid 121 and name HN ) 4.0 2.2 2.5 ! A.1092 at 9.39e+06 ! assign (resid 121 and name HD* ) (resid 121 and name HN ) 4.0 2.2 1.5 ! A.936 at 5.31e+07 assign (resid 121 and name HB# ) (resid 121 and name HN ) 2.5 0.7 0.9 ! A.938 at -1.49e+08 assign (resid 121 and name HN ) (resid 122 and name HG# ) 4.0 2.2 2.5 ! A.1407 at -1.27e+07 assign (resid 121 and name HA ) (resid 122 and name HN ) 4.0 2.2 1.0 ! A.344 at 7.72e+07 assign (resid 121 and name HG ) (resid 122 and name HN ) 4.0 2.2 2.0 ! A.350 at 3.01e+07 assign (resid 121 and name HB# ) (resid 122 and name HN ) 4.0 2.2 1.5 ! A.346 at -7.71e+07 assign (resid 121 and name HA ) (resid 123 and name HN ) 4.0 2.2 2.0 ! A.1426 at -3.77e+07 assign (resid 121 and name HA ) (resid 124 and name HN ) 4.0 2.2 1.0 ! A.941 at 7.49e+07 ! Q122 assign (resid 122 and name HB# ) (resid 122 and name HN ) 3.0 1.2 1.0 ! A.351 at 1.29e+08 assign (resid 122 and name HG# ) (resid 122 and name HN ) 3.0 1.2 1.0 ! A.342 at -1.02e+08 assign (resid 122 and name HG# ) (resid 123 and name HN ) 4.0 2.2 2.5 ! A.1190 at 2.13e+07 assign (resid 122 and name HA ) (resid 123 and name HN ) 4.0 2.2 1.0 ! A.939 at -5.95e+07 assign (resid 122 and name HB# ) (resid 123 and name HN ) 4.0 2.2 1.5 ! A.433 at -4.67e+07 assign (resid 122 and name HA ) (resid 124 and name HN ) 4.0 2.2 2.0 ! A.1429 at 2.54e+07 assign (resid 122 and name HA ) (resid 125 and name HN ) 4.0 2.2 1.0 ! A.952 at 5.44e+07 ! G123 assign (resid 123 and name HA# ) (resid 124 and name HN ) 4.0 2.2 1.5 ! A.948 at -4.91e+07 ! L124 assign (resid 124 and name HG ) (resid 124 and name HN ) 4.0 2.2 1.5 ! A.946 at 1.09e+08 assign (resid 124 and name HB# ) (resid 124 and name HN ) 3.0 1.2 1.0 ! A.943 at -9.07e+07 assign (resid 124 and name HN ) (resid 125 and name HA ) 4.0 2.2 2.5 ! A.940 at 2.33e+07 assign (resid 124 and name HN ) (resid 125 and name HB# ) 4.0 2.2 2.5 ! A.1430 at 2.10e+07 assign (resid 124 and name HD* ) (resid 125 and name HN ) 4.0 2.2 2.5 ! A.953 at 5.37e+07 assign (resid 124 and name HA ) (resid 125 and name HN ) 3.0 1.2 0.5 ! A.951 at 1.00e+08 assign (resid 124 and name HB# ) (resid 125 and name HN ) 4.0 2.2 1.5 ! A.955 at -7.25e+07 ! C125 assign (resid 125 and name HB# ) (resid 125 and name HN ) 2.5 0.7 0.9 ! A.956 at 1.98e+08 assign (resid 125 and name HN ) (resid 126 and name HA ) 4.0 2.2 2.0 ! A.1145 at 1.03e+07 assign (resid 125 and name HN ) (resid 126 and name HD# ) 4.0 2.2 1.5 ! A.957 at -7.97e+07 ! H12 ! Queen 041706 ! assign (resid 12 and name HN ) (resid 57 and name HN ) 4.0 2.2 2.0 ! A.221 at 3.36e+06 ! I13 assign (resid 13 and name HN ) (resid 14 and name HN ) 4.0 2.2 1.0 ! A.25 at 4.91e+06 ! assign (resid 13 and name HN ) (resid 37 and name HG* ) 4.0 2.2 2.0 ! A.24 at 1.13e+07 assign (resid 13 and name HN ) (resid 38 and name HN ) 4.0 2.2 1.0 ! A.201 at 6.19e+06 ! L14 assign (resid 14 and name HG ) (resid 14 and name HN ) 4.0 2.2 1.0 ! A.209 at 8.22e+06 assign (resid 14 and name HN ) (resid 57 and name HN ) 4.0 2.2 1.0 ! A.257 at 6.79e+06 assign (resid 14 and name HN ) (resid 58 and name HA ) 3.0 1.2 0.5 ! A.207 at 2.45e+07 assign (resid 14 and name HN ) (resid 59 and name HN ) 4.0 2.2 1.0 ! A.229 at 9.26e+06 ! L15 ! L16 assign (resid 16 and name HN ) (resid 60 and name HA ) 2.5 0.7 0.4 ! A.212 at 9.33e+07 assign (resid 16 and name HN ) (resid 61 and name HN ) 4.0 2.2 1.0 ! A.213 at 9.39e+06 ! E17 ! E18 ! E19 ! D20 ! E21 ! A22 assign (resid 22 and name HA ) (resid 26 and name HN ) 4.0 2.2 1.0 ! A.165 at 1.23e+07 ! A23 assign (resid 23 and name HN ) (resid 24 and name HN ) 3.0 1.2 0.5 ! A.147 at 2.34e+07 assign (resid 23 and name HN ) (resid 25 and name HN ) 4.0 2.2 1.0 ! A.394 at 8.80e+06 ! T24 assign (resid 24 and name HN ) (resid 25 and name HN ) 4.0 2.2 1.0 ! A.148 at 1.71e+07 ! V25 assign (resid 25 and name HN ) (resid 26 and name HN ) 3.0 1.2 0.5 ! A.52 at 3.14e+07 ! V26 assign (resid 26 and name HN ) (resid 27 and name HN ) 3.0 1.2 0.5 ! A.51 at 2.59e+07 ! C27 ! E28 assign (resid 28 and name HN ) (resid 29 and name HN ) 3.0 1.2 0.5 ! A.175 at 2.57e+07 ! M29 assign (resid 29 and name HB# ) (resid 29 and name HN ) 3.0 1.2 1.0 ! A.187 at 6.96e+07 assign (resid 29 and name HN ) (resid 30 and name HN ) 4.0 2.2 1.0 ! A.190 at 1.73e+07 ! L30 assign (resid 30 and name HN ) (resid 31 and name HN ) 3.0 1.2 0.5 ! A.189 at 2.06e+07 ! T31 ! A32 ! A33 assign (resid 33 and name HN ) (resid 34 and name HN ) 3.0 1.2 0.5 ! A.273 at 6.48e+07 assign (resid 33 and name HN ) (resid 35 and name HN ) 4.0 2.2 1.0 ! A.274 at 7.96e+06 ! G34 ! assign (resid 34 and name HN ) (resid 35 and name HN ) 3.0 1.2 0.5 ! A.279 at 6.58e+07 ! F35 ! K36 ! V37 assign (resid 37 and name HN ) (resid 38 and name HN ) 4.0 2.2 1.0 ! A.484 at 5.66e+06 ! I38 assign (resid 38 and name HN ) (resid 39 and name HN ) 4.0 2.2 1.0 ! A.286 at 1.18e+07 ! W39 ! L40 assign (resid 40 and name HN ) (resid 41 and name HN ) 4.0 2.2 1.0 ! A.266 at 6.54e+06 ! V41 assign (resid 41 and name HN ) (resid 42 and name HN ) 3.0 1.2 1.0 ! A.289 at 7.79e+07(wd) ! D42 ! G43 assign (resid 43 and name HN ) (resid 44 and name HN ) 4.0 2.2 1.0 ! A.290 at 1.32e+07 ! S44 assign (resid 44 and name HN ) (resid 45 and name HN ) 3.0 1.2 0.5 ! A.291 at 3.39e+07 assign (resid 44 and name HN ) (resid 46 and name HN ) 4.0 2.2 1.0 ! A.297 at 1.09e+07 ! T45 assign (resid 45 and name HN ) (resid 46 and name HN ) 3.0 1.2 0.5 ! A.292 at 4.63e+07 ! A46 assign (resid 46 and name HN ) (resid 47 and name HN ) 3.0 1.2 0.5 ! A.301 at 4.59e+07 ! L47 assign (resid 47 and name HN ) (resid 48 and name HN ) 3.0 1.2 0.5 ! A.300 at 5.91e+07 ! D48 ! Q49 assign (resid 49 and name HA ) (resid 50 and name HN ) 3.0 1.2 0.5 ! A.457 at 2.22e+07 assign (resid 49 and name HN ) (resid 51 and name HN ) 4.0 2.2 1.0 ! A.302 at 1.12e+07 ! L50 assign (resid 50 and name HN ) (resid 51 and name HN ) 3.0 1.2 0.5 ! A.303 at 2.93e+07 ! D51 assign (resid 51 and name HA ) (resid 52 and name HN ) 3.0 1.2 0.5 ! A.53 at 2.17e+07 ! L52 assign (resid 52 and name HN ) (resid 53 and name HN ) 2.5 0.7 0.4 ! A.309 at 7.21e+07 assign (resid 52 and name HA ) (resid 53 and name HN ) 4.0 2.2 1.0 ! A.459 at 1.78e+07 ! L53 assign (resid 53 and name HN ) (resid 54 and name HN ) 3.0 1.2 0.5 ! A.310 at 4.86e+07 ! Q54 ! P55 assign (resid 55 and name HA ) (resid 57 and name HN ) 4.0 2.2 1.5 ! A.510 at 1.78e+07(wd) ! I56 assign (resid 56 and name HN ) (resid 57 and name HN ) 3.0 1.2 0.5 ! A.253 at 3.66e+07 ! V57 ! I58 assign (resid 58 and name HN ) (resid 89 and name HN ) 4.0 2.2 1.0 ! A.222 at 1.47e+07 ! L59 assign (resid 59 and name HN ) (resid 60 and name HN ) 4.0 2.2 1.0 ! A.230 at 7.63e+06 ! M60 assign (resid 60 and name HN ) (resid 91 and name HN ) 4.0 2.2 1.0 ! A.369 at 1.32e+07 ! A61 ! W62 assign (resid 62 and name HN ) (resid 91 and name HN ) 4.0 2.2 1.0 ! A.26 at 2.48e+07 assign (resid 62 and name HN ) (resid 93 and name HN ) 4.0 2.2 1.0 ! A.27 at 7.42e+06 ! P63 ! P64 ! P65 ! D66 ! Q67 assign (resid 67 and name HN ) (resid 68 and name HN ) 4.0 2.2 1.0 ! A.317 at 1.10e+07 ! S68 assign (resid 68 and name HN ) (resid 69 and name HN ) 3.0 1.2 0.5 ! A.316 at 2.13e+07 ! C69 assign (resid 69 and name HN ) (resid 70 and name HN ) 3.0 1.2 0.5 ! A.324 at 5.44e+07 ! L70 assign (resid 70 and name HN ) (resid 71 and name HN ) 3.0 1.2 0.5 ! A.322 at 5.93e+07 assign (resid 70 and name HN ) (resid 72 and name HN ) 4.0 2.2 1.0 ! A.323 at 1.44e+07 ! L71 assign (resid 71 and name HN ) (resid 72 and name HN ) 2.5 0.7 0.4 ! A.325 at 7.18e+07 assign (resid 71 and name HN ) (resid 74 and name HN ) 4.0 2.2 1.0 ! A.347 at 6.71e+06 ! L72 ! assign (resid 72 and name HG ) (resid 72 and name HN ) 3.0 1.2 0.5 ! A.5 at 4.81e+07 assign (resid 72 and name HN ) (resid 73 and name HN ) 3.0 1.2 0.5 ! A.330 at 3.14e+07 ! L73 assign (resid 73 and name HN ) (resid 74 and name HN ) 3.0 1.2 0.5 ! A.329 at 3.38e+07 assign (resid 73 and name HN ) (resid 75 and name HN ) 4.0 2.2 1.0 ! A.331 at 8.78e+06 ! Q74 assign (resid 74 and name HN ) (resid 75 and name HN ) 3.0 1.2 0.5 ! A.348 at 3.79e+07 assign (resid 74 and name HN ) (resid 76 and name HN ) 4.0 2.2 1.0 ! A.343 at 1.81e+07 ! H75 assign (resid 75 and name HN ) (resid 76 and name HN ) 3.0 1.2 0.5 ! A.481 at 3.67e+07 assign (resid 75 and name HN ) (resid 77 and name HN ) 4.0 2.2 1.0 ! A.512 at 8.47e+06 ! L76 assign (resid 76 and name HN ) (resid 77 and name HN ) 3.0 1.2 0.5 ! A.357 at 3.21e+07 ! R77 assign (resid 77 and name HN ) (resid 78 and name HN ) 3.0 1.2 0.5 ! A.355 at 4.57e+07 ! E78 assign (resid 78 and name HN ) (resid 79 and name HN ) 3.0 1.2 0.5 ! A.334 at 5.93e+07 ! H79 assign (resid 79 and name HN ) (resid 80 and name HN ) 3.0 1.2 0.5 ! A.332 at 3.14e+07 ! Q80 ! A81 ! assign (resid 81 and name HN ) (resid 82 and name HN ) 3.0 1.2 1.0 ! A.359 at 6.08e+07(wd) ! D82 ! P83 ! assign (resid 83 and name HA ) (resid 84 and name HN ) 2.5 0.7 0.4 ! A.542 at 8.30e+07 ! H84 ! P85 ! P86 ! L87 assign (resid 87 and name HN ) (resid 88 and name HN ) 4.0 2.2 1.0 ! A.495 at 5.08e+06 ! V88 assign (resid 88 and name HN ) (resid 106 and name HN ) 4.0 2.2 1.0 ! A.399 at 8.36e+06 ! L89 assign (resid 89 and name HN ) (resid 90 and name HN ) 4.0 2.2 1.0 ! A.364 at 1.11e+07 ! F90 assign (resid 90 and name HN ) (resid 91 and name HN ) 4.0 2.2 1.0 ! A.363 at 9.04e+06 assign (resid 90 and name HN ) (resid 108 and name HN ) 4.0 2.2 1.0 ! A.365 at 1.00e+07 ! V96 assign (resid 96 and name HN ) (resid 97 and name HN ) 3.0 1.2 1.0 ! A.335 at 6.88e+07(wd) ! D97 ! P98 ! L99 assign (resid 99 and name HN ) (resid 100 and name HN ) 2.5 0.7 0.4 ! A.338 at 8.09e+07 assign (resid 99 and name HN ) (resid 101 and name HN ) 4.0 2.2 1.0 ! A.387 at 1.83e+07 ! L100 assign (resid 100 and name HN ) (resid 101 and name HN ) 2.5 0.7 0.4 ! A.389 at 9.97e+07 ! T101 assign (resid 101 and name HN ) (resid 102 and name HN ) 3.0 1.2 0.5 ! A.388 at 6.58e+07 assign (resid 101 and name HN ) (resid 103 and name HN ) 3.0 1.2 1.0 ! A.390 at 1.96e+07(wd) ! A102 assign (resid 102 and name HN ) (resid 103 and name HN ) 3.0 1.2 0.5 ! A.392 at 5.63e+07 ! Q103 ! A104 ! S105 assign (resid 105 and name HN ) (resid 106 and name HN ) 3.0 1.2 0.5 ! A.397 at 6.63e+07 ! A106 assign (resid 106 and name HN ) (resid 107 and name HN ) 4.0 2.2 1.0 ! A.398 at 1.25e+07 ! I107 assign (resid 107 and name HN ) (resid 108 and name HN ) 4.0 2.2 1.0 ! A.402 at 8.39e+06 ! L108 assign (resid 108 and name HN ) (resid 109 and name HN ) 4.0 2.2 1.0 ! A.403 at 8.70e+06 assign (resid 115 and name HN ) (resid 116 and name HN ) 2.5 0.7 0.4 ! A.409 at 8.19e+07 assign (resid 115 and name HN ) (resid 117 and name HN ) 4.0 2.2 1.0 ! A.410 at 1.56e+07 ! L116 assign (resid 116 and name HN ) (resid 117 and name HN ) 3.0 1.2 0.5 ! A.381 at 5.68e+07 ! L117 assign (resid 117 and name HN ) (resid 118 and name HN ) 3.0 1.2 0.5 ! A.421 at 2.83e+07 ! L118 assign (resid 118 and name HN ) (resid 119 and name HN ) 3.0 1.2 0.5 ! A.424 at 2.65e+07 ! T119 assign (resid 119 and name HN ) (resid 120 and name HN ) 3.0 1.2 0.5 ! A.422 at 4.02e+07 assign (resid 119 and name HN ) (resid 121 and name HN ) 4.0 2.2 1.0 ! A.423 at 7.68e+06 ! T120 assign (resid 120 and name HN ) (resid 121 and name HN ) 3.0 1.2 0.5 ! A.427 at 3.05e+07 ! L121 assign (resid 121 and name HN ) (resid 122 and name HN ) 3.0 1.2 0.5 ! A.340 at 2.97e+07 ! Q122 assign (resid 122 and name HN ) (resid 123 and name HN ) 3.0 1.2 0.5 ! A.339 at 2.76e+07 ! G123 assign (resid 123 and name HN ) (resid 124 and name HN ) 3.0 1.2 0.5 ! A.428 at 4.20e+07 ! L124 assign (resid 124 and name HN ) (resid 125 and name HN ) 4.0 2.2 2.5 ! A.430 at 5.52e+07 ! C125
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