NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
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626213 |
5xn4   |
36085 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
# Restraints file 1: a4_noe.tbl ! pck2xplr.awk Table; Input File: AcrIIA4_nnoe_pipp.PCK ! Date: Wed May 3 19:12:45 KST 2017 ! Path: /home/jysuh/NMR_data/AcrIIA4/structure_calc/1.rstrnt/2.noe ! !@ BEGIN_XPLR_PCK_SUM ! LBL File-Name All Intra Seq. Short Long ! A AcrIIA4_cnoe120_pipp.PCK 1019 625 147 105 142 ! B AcrIIA4_arocnoesy_pipp.PCK 73 25 10 10 28 ! C AcrIIA4_nnoe_pipp.PCK 412 91 164 106 51 ! Total 1504 741 321 221 221 !@ END_XPLR_PCK_SUM !@ BEGIN_XPLR_NOE_FILE ! assign (resid 1 and name HA ) (resid 1 and name HB2 ) 2.5 0.7 3.5 ! A.1447 at 4.53e+07 assign (resid 1 and name HA ) (resid 1 and name HG2 ) 2.5 0.7 3.5 ! A.1448 at 2.72e+07 assign (resid 1 and name HB1 ) (resid 1 and name HA ) 2.5 0.7 3.5 ! A.1652 at 1.31e+07 assign (resid 1 and name HG1 ) (resid 1 and name HA ) 2.5 0.7 3.5 ! A.1675 at 1.01e+07 assign (resid 1 and name HG1 ) (resid 1 and name HB2 ) 2.5 0.7 3.5 ! A.1679 at 2.42e+07 assign (resid 1 and name HG2 ) (resid 1 and name HB2 ) 2.5 0.7 3.5 ! A.1680 at 2.47e+07 assign (resid 1 and name HA ) (resid 2 and name HN ) 2.5 0.7 3.5 ! A.12 at 6.99e+07 assign (resid 1 and name HB1 ) (resid 2 and name HN ) 2.5 0.7 3.5 ! A.1654 at 2.86e+06 assign (resid 1 and name HG1 ) (resid 2 and name HN ) 2.5 0.7 3.5 ! A.579 at 3.87e+06 assign (resid 1 and name HB2 ) (resid 2 and name HN ) 2.5 0.7 3.5 ! C.648 at 2.04e+07 assign (resid 1 and name HG2 ) (resid 2 and name HN ) 2.5 0.7 3.5 ! C.649 at 1.68e+07 assign (resid 1 and name HA ) (resid 2 and name HD21 ) 2.5 0.7 3.5 ! C.1092 at 4.34e+06 assign (resid 1 and name HA ) (resid 5 and name HB1 ) 2.5 0.7 3.5 ! A.1449 at 1.60e+07 assign (resid 1 and name HG1 ) (resid 5 and name HB1 ) 2.5 0.7 3.5 ! A.1682 at 1.11e+07 assign (resid 1 and name HG2 ) (resid 6 and name HN ) 2.5 0.7 3.5 ! C.21 at 8.26e+06 assign (resid 1 and name HB2 ) (resid 84 and name HA ) 2.5 0.7 3.5 ! A.1867 at 1.87e+07 assign (resid 1 and name HG1 ) (resid 84 and name HA ) 2.5 0.7 3.5 ! A.1866 at 6.75e+06 assign (resid 1 and name HG2 ) (resid 86 and name HA ) 2.5 0.7 3.5 ! A.1477 at 4.52e+06 assign (resid 1 and name HB1 ) (resid 86 and name HA ) 2.5 0.7 3.5 ! A.1479 at 6.14e+06 assign (resid 2 and name HA ) (resid 2 and name HB2 ) 2.5 0.7 3.5 ! A.1505 at 3.90e+07 assign (resid 2 and name HA ) (resid 2 and name HB1 ) 2.5 0.7 3.5 ! A.1615 at 3.83e+07 assign (resid 2 and name HA ) (resid 2 and name HN ) 2.5 0.7 3.5 ! A.689 at 1.19e+07 assign (resid 2 and name HB1 ) (resid 2 and name HD21 ) 2.5 0.7 3.5 ! A.1983 at 3.08e+06 assign (resid 2 and name HB2 ) (resid 2 and name HB1 ) 2.5 0.7 3.5 ! A.1548 at 9.00e+07 assign (resid 2 and name HB1 ) (resid 2 and name HN ) 2.5 0.7 3.5 ! A.1981 at 5.47e+06 assign (resid 2 and name HB2 ) (resid 2 and name HN ) 2.5 0.7 3.5 ! A.1986 at 6.70e+06 assign (resid 2 and name HA ) (resid 3 and name HA ) 2.5 0.7 3.5 ! A.1616 at 3.78e+06 assign (resid 2 and name HA ) (resid 3 and name HN ) 2.5 0.7 3.5 ! A.690 at 1.49e+07 assign (resid 2 and name HA ) (resid 3 and name HB ) 2.5 0.7 3.5 ! A.1502 at 9.66e+06 assign (resid 2 and name HB1 ) (resid 3 and name HN ) 2.5 0.7 3.5 ! A.1980 at 7.45e+06 assign (resid 2 and name HB1 ) (resid 3 and name HG2# ) 2.5 0.7 4.0 ! A.1261 at 7.11e+06 assign (resid 2 and name HB2 ) (resid 3 and name HN ) 2.5 0.7 3.5 ! A.1985 at 5.21e+06 assign (resid 2 and name HB1 ) (resid 3 and name HB ) 2.5 0.7 3.5 ! A.1266 at 2.40e+06 assign (resid 2 and name HN ) (resid 3 and name HG2# ) 2.5 0.7 4.0 ! C.647 at 7.12e+06 assign (resid 2 and name HN ) (resid 3 and name HA ) 2.5 0.7 3.5 ! C.651 at 2.55e+06 assign (resid 2 and name HB1 ) (resid 4 and name HN ) 2.5 0.7 3.5 ! A.1982 at 3.90e+06 assign (resid 2 and name HB2 ) (resid 4 and name HD21 ) 2.5 0.7 3.5 ! A.1984 at 4.79e+06 assign (resid 2 and name HA ) (resid 4 and name HN ) 2.5 0.7 3.5 ! C.134 at 2.94e+06 assign (resid 2 and name HA ) (resid 5 and name HN ) 2.5 0.7 3.5 ! A.691 at 3.42e+06 assign (resid 2 and name HN ) (resid 5 and name HB2 ) 2.5 0.7 3.5 ! A.1643 at 5.82e+06 assign (resid 2 and name HN ) (resid 5 and name HB1 ) 2.5 0.7 3.5 ! A.1994 at 7.11e+06 assign (resid 2 and name HB1 ) (resid 5 and name HN ) 2.5 0.7 3.5 ! C.144 at 4.61e+06 assign (resid 2 and name HN ) (resid 5 and name HN ) 2.5 0.7 3.5 ! C.849 at 7.85e+06 assign (resid 2 and name HN ) (resid 6 and name HN ) 2.5 0.7 3.5 ! C.65 at 3.39e+06 assign (resid 3 and name HA ) (resid 3 and name HG12 ) 2.5 0.7 3.5 ! A.326 at 2.53e+07 assign (resid 3 and name HA ) (resid 3 and name HB ) 2.5 0.7 3.5 ! A.325 at 5.50e+07 assign (resid 3 and name HA ) (resid 3 and name HG2# ) 2.5 0.7 4.0 ! A.327 at 8.88e+07 assign (resid 3 and name HA ) (resid 3 and name HN ) 2.5 0.7 3.5 ! A.13 at 7.59e+06 assign (resid 3 and name HB ) (resid 3 and name HN ) 2.5 0.7 3.5 ! A.329 at 8.36e+06 assign (resid 3 and name HB ) (resid 3 and name HG2# ) 2.5 0.7 4.0 ! A.332 at 6.03e+07 assign (resid 3 and name HB ) (resid 3 and name HG12 ) 2.5 0.7 3.5 ! A.331 at 2.40e+07 assign (resid 3 and name HG11 ) (resid 3 and name HG2# ) 2.5 0.7 4.0 ! A.584 at 6.49e+07 assign (resid 3 and name HG12 ) (resid 3 and name HG2# ) 2.5 0.7 4.0 ! A.367 at 6.77e+07 assign (resid 3 and name HG11 ) (resid 3 and name HA ) 2.5 0.7 3.5 ! A.868 at 8.00e+06 assign (resid 3 and name HG11 ) (resid 3 and name HB ) 2.5 0.7 3.5 ! A.389 at 1.71e+07 assign (resid 3 and name HG2# ) (resid 3 and name HN ) 2.5 0.7 4.0 ! A.333 at 1.61e+07 assign (resid 3 and name HD1# ) (resid 3 and name HA ) 2.5 0.7 4.0 ! A.182 at 3.62e+07 assign (resid 3 and name HG12 ) (resid 3 and name HN ) 2.5 0.7 3.5 ! C.429 at 5.26e+06 assign (resid 3 and name HA ) (resid 4 and name HN ) 2.5 0.7 3.5 ! A.14 at 1.67e+07 assign (resid 3 and name HB ) (resid 4 and name HN ) 2.5 0.7 3.5 ! A.583 at 3.40e+06 assign (resid 3 and name HG2# ) (resid 4 and name HN ) 2.5 0.7 4.0 ! A.334 at 3.30e+07 assign (resid 3 and name HN ) (resid 4 and name HN ) 2.5 0.7 3.5 ! C.9 at 6.71e+06 assign (resid 3 and name HG11 ) (resid 4 and name HN ) 2.5 0.7 3.5 ! C.138 at 6.27e+06 assign (resid 3 and name HN ) (resid 5 and name HN ) 2.5 0.7 3.5 ! C.847 at 2.08e+06 assign (resid 3 and name HA ) (resid 6 and name HD1# ) 2.5 0.7 4.0 ! A.328 at 8.93e+06 assign (resid 3 and name HG11 ) (resid 6 and name HD1# ) 2.5 0.7 4.0 ! A.2037 at 2.21e+06 assign (resid 3 and name HG12 ) (resid 6 and name HD1# ) 2.5 0.7 4.0 ! A.391 at 2.58e+06 assign (resid 3 and name HG2# ) (resid 6 and name HN ) 2.5 0.7 4.0 ! C.161 at 2.60e+07 assign (resid 3 and name HG12 ) (resid 19 and name HD* ) 2.5 0.7 4.0 ! A.368 at 7.30e+07 assign (resid 3 and name HD1# ) (resid 24 and name HB# ) 2.5 0.7 4.5 ! A.1455 at 2.88e+07 assign (resid 3 and name HG11 ) (resid 24 and name HB# ) 2.5 0.7 4.0 ! A.1456 at 1.24e+07 assign (resid 4 and name HB1 ) (resid 4 and name HN ) 2.5 0.7 3.5 ! A.1567 at 2.55e+07 assign (resid 4 and name HB1 ) (resid 4 and name HA ) 2.5 0.7 3.5 ! A.1564 at 1.79e+07 assign (resid 4 and name HB2 ) (resid 4 and name HN ) 2.5 0.7 3.5 ! A.1577 at 1.76e+07 assign (resid 4 and name HB2 ) (resid 4 and name HA ) 2.5 0.7 3.5 ! A.2064 at 2.24e+07 assign (resid 4 and name HA ) (resid 4 and name HN ) 2.5 0.7 3.5 ! C.12 at 3.13e+07 assign (resid 4 and name HB1 ) (resid 4 and name HD21 ) 2.5 0.7 3.5 ! C.1109 at 8.99e+06 assign (resid 4 and name HB1 ) (resid 5 and name HN ) 2.5 0.7 3.5 ! C.142 at 5.88e+07 assign (resid 4 and name HA ) (resid 7 and name HN ) 2.5 0.7 3.5 ! A.26 at 7.05e+06 assign (resid 4 and name HA ) (resid 7 and name HB ) 2.5 0.7 3.5 ! A.1451 at 2.96e+07 assign (resid 4 and name HB1 ) (resid 7 and name HB ) 2.5 0.7 3.5 ! A.1566 at 2.92e+06 assign (resid 4 and name HB2 ) (resid 7 and name HB ) 2.5 0.7 3.5 ! A.991 at 4.35e+06 assign (resid 4 and name HA ) (resid 8 and name HN ) 2.5 0.7 3.5 ! A.781 at 3.32e+06 assign (resid 4 and name HB2 ) (resid 8 and name HN ) 2.5 0.7 3.5 ! C.70 at 4.63e+06 assign (resid 4 and name HB1 ) (resid 19 and name HD* ) 2.5 0.7 4.0 ! A.1565 at 5.32e+06 assign (resid 4 and name HD21 ) (resid 19 and name HD1# ) 2.5 0.7 4.0 ! C.1104 at 3.94e+06 assign (resid 5 and name HA ) (resid 5 and name HB2 ) 2.5 0.7 3.5 ! A.576 at 3.18e+07 assign (resid 5 and name HB1 ) (resid 5 and name HA ) 2.5 0.7 3.5 ! A.173 at 1.05e+07 assign (resid 5 and name HA ) (resid 5 and name HN ) 2.5 0.7 3.5 ! C.16 at 3.67e+07 assign (resid 5 and name HB2 ) (resid 6 and name HN ) 2.5 0.7 3.5 ! A.174 at 1.38e+07 assign (resid 5 and name HB1 ) (resid 6 and name HN ) 2.5 0.7 3.5 ! A.175 at 1.63e+07 assign (resid 5 and name HN ) (resid 6 and name HB2 ) 2.5 0.7 3.5 ! C.147 at 4.34e+06 assign (resid 5 and name HN ) (resid 6 and name HA ) 2.5 0.7 3.5 ! C.143 at 5.93e+06 assign (resid 5 and name HN ) (resid 6 and name HB1 ) 2.5 0.7 3.5 ! C.859 at 1.06e+07 assign (resid 5 and name HA ) (resid 6 and name HN ) 2.5 0.7 3.5 ! C.20 at 9.79e+06 assign (resid 5 and name HA ) (resid 8 and name HN ) 2.5 0.7 3.5 ! C.68 at 1.76e+07 assign (resid 5 and name HB1 ) (resid 8 and name HN ) 2.5 0.7 3.5 ! C.71 at 4.14e+06 assign (resid 5 and name HB1 ) (resid 9 and name HN ) 2.5 0.7 3.5 ! C.81 at 4.34e+06 assign (resid 6 and name HA ) (resid 6 and name HD1# ) 2.5 0.7 4.0 ! A.687 at 3.56e+06 assign (resid 6 and name HA ) (resid 6 and name HN ) 2.5 0.7 3.5 ! A.567 at 1.51e+07 assign (resid 6 and name HA ) (resid 6 and name HB1 ) 2.5 0.7 3.5 ! A.682 at 2.44e+07 assign (resid 6 and name HA ) (resid 6 and name HD2# ) 2.5 0.7 4.0 ! A.688 at 3.80e+07 assign (resid 6 and name HA ) (resid 6 and name HG ) 2.5 0.7 3.5 ! A.684 at 1.12e+07 assign (resid 6 and name HA ) (resid 6 and name HB2 ) 2.5 0.7 3.5 ! A.683 at 2.10e+07 assign (resid 6 and name HB2 ) (resid 6 and name HD2# ) 2.5 0.7 4.0 ! A.705 at 1.27e+07 assign (resid 6 and name HB1 ) (resid 6 and name HN ) 2.5 0.7 3.5 ! A.222 at 1.34e+07 assign (resid 6 and name HB1 ) (resid 6 and name HD2# ) 2.5 0.7 4.0 ! A.706 at 5.70e+06 assign (resid 6 and name HB2 ) (resid 6 and name HG ) 2.5 0.7 3.5 ! A.701 at 2.13e+07 assign (resid 6 and name HB2 ) (resid 6 and name HD1# ) 2.5 0.7 4.0 ! A.704 at 1.51e+07 assign (resid 6 and name HB1 ) (resid 6 and name HD1# ) 2.5 0.7 4.0 ! A.703 at 1.31e+07 assign (resid 6 and name HB2 ) (resid 6 and name HB1 ) 2.5 0.7 3.5 ! A.699 at 4.46e+07 assign (resid 6 and name HB2 ) (resid 6 and name HN ) 2.5 0.7 3.5 ! A.696 at 1.41e+07 assign (resid 6 and name HG ) (resid 6 and name HB1 ) 2.5 0.7 3.5 ! A.610 at 1.27e+07 assign (resid 6 and name HG ) (resid 6 and name HN ) 2.5 0.7 3.5 ! A.815 at 2.11e+06 assign (resid 6 and name HG ) (resid 6 and name HD2# ) 2.5 0.7 4.0 ! A.607 at 1.37e+07 assign (resid 6 and name HG ) (resid 6 and name HD1# ) 2.5 0.7 4.0 ! A.608 at 1.53e+07 assign (resid 6 and name HD1# ) (resid 6 and name HN ) 2.5 0.7 4.0 ! A.478 at 2.89e+06 assign (resid 6 and name HD1# ) (resid 6 and name HD2# ) 2.5 0.7 4.5 ! A.96 at 4.14e+07 assign (resid 6 and name HD2# ) (resid 6 and name HN ) 2.5 0.7 4.0 ! A.480 at 3.37e+06 assign (resid 6 and name HB2 ) (resid 7 and name HA ) 2.5 0.7 3.5 ! A.358 at 3.51e+06 assign (resid 6 and name HA ) (resid 7 and name HN ) 2.5 0.7 3.5 ! A.568 at 8.53e+06 assign (resid 6 and name HB2 ) (resid 7 and name HN ) 2.5 0.7 3.5 ! A.697 at 4.57e+06 assign (resid 6 and name HB1 ) (resid 7 and name HN ) 2.5 0.7 3.5 ! A.223 at 6.69e+06 assign (resid 6 and name HN ) (resid 7 and name HN ) 2.5 0.7 3.5 ! C.1 at 2.52e+07 assign (resid 6 and name HD1# ) (resid 7 and name HN ) 2.5 0.7 4.0 ! C.611 at 4.91e+06 assign (resid 6 and name HD2# ) (resid 7 and name HN ) 2.5 0.7 4.0 ! C.851 at 2.60e+06 assign (resid 6 and name HD2# ) (resid 9 and name HN ) 2.5 0.7 4.0 ! C.869 at 2.73e+06 assign (resid 6 and name HA ) (resid 9 and name HN ) 2.5 0.7 3.5 ! C.76 at 1.34e+07 assign (resid 6 and name HD2# ) (resid 10 and name HG12 ) 2.5 0.7 4.0 ! A.1918 at 3.68e+06 assign (resid 6 and name HB2 ) (resid 10 and name HG2# ) 2.5 0.7 4.0 ! A.2014 at 3.30e+07 assign (resid 6 and name HG ) (resid 10 and name HG2# ) 2.5 0.7 4.0 ! A.2015 at 3.86e+07 assign (resid 6 and name HD2# ) (resid 10 and name HD1# ) 2.5 0.7 4.5 ! A.246 at 1.83e+07 assign (resid 6 and name HA ) (resid 10 and name HD1# ) 2.5 0.7 4.0 ! A.1757 at 3.12e+06 assign (resid 6 and name HD2# ) (resid 10 and name HN ) 2.5 0.7 4.0 ! C.863 at 5.21e+06 assign (resid 6 and name HA ) (resid 10 and name HN ) 2.5 0.7 3.5 ! C.151 at 3.76e+06 assign (resid 6 and name HB2 ) (resid 19 and name HB2 ) 2.5 0.7 3.5 ! A.1624 at 3.31e+06 assign (resid 6 and name HB2 ) (resid 19 and name HB1 ) 2.5 0.7 3.5 ! A.1623 at 6.83e+06 assign (resid 6 and name HA ) (resid 80 and name HG2# ) 2.5 0.7 4.0 ! A.685 at 4.30e+06 assign (resid 6 and name HD2# ) (resid 80 and name HG2# ) 2.5 0.7 4.5 ! A.247 at 5.21e+07 assign (resid 6 and name HB2 ) (resid 80 and name HD1# ) 2.5 0.7 4.0 ! A.2071 at 6.62e+07 assign (resid 6 and name HD1# ) (resid 83 and name HG1 ) 2.5 0.7 4.0 ! A.742 at 2.44e+06 assign (resid 6 and name HD1# ) (resid 83 and name HE# ) 2.5 0.7 4.5 ! A.93 at 9.82e+06 assign (resid 7 and name HA ) (resid 7 and name HG12 ) 2.5 0.7 3.5 ! A.357 at 8.70e+07 assign (resid 7 and name HA ) (resid 7 and name HG11 ) 2.5 0.7 3.5 ! A.359 at 4.97e+07 assign (resid 7 and name HA ) (resid 7 and name HN ) 2.5 0.7 3.5 ! A.21 at 1.50e+07 assign (resid 7 and name HB ) (resid 7 and name HN ) 2.5 0.7 3.5 ! A.179 at 2.53e+07 assign (resid 7 and name HB ) (resid 7 and name HG2# ) 2.5 0.7 4.0 ! A.1815 at 1.04e+08 assign (resid 7 and name HB ) (resid 7 and name HA ) 2.5 0.7 3.5 ! A.180 at 8.01e+06 assign (resid 7 and name HG11 ) (resid 7 and name HN ) 2.5 0.7 3.5 ! A.340 at 1.45e+07 assign (resid 7 and name HG11 ) (resid 7 and name HG12 ) 2.5 0.7 3.5 ! A.738 at 1.14e+08 assign (resid 7 and name HG2# ) (resid 7 and name HN ) 2.5 0.7 4.0 ! A.736 at 9.23e+06 assign (resid 7 and name HG2# ) (resid 7 and name HA ) 2.5 0.7 4.0 ! A.734 at 3.78e+07 assign (resid 7 and name HD1# ) (resid 7 and name HG11 ) 2.5 0.7 4.0 ! A.1814 at 1.09e+08 assign (resid 7 and name HA ) (resid 8 and name HN ) 2.5 0.7 3.5 ! A.29 at 4.16e+06 assign (resid 7 and name HB ) (resid 8 and name HN ) 2.5 0.7 3.5 ! A.295 at 8.53e+06 assign (resid 7 and name HG2# ) (resid 8 and name HN ) 2.5 0.7 4.0 ! C.72 at 3.54e+07 assign (resid 7 and name HN ) (resid 8 and name HN ) 2.5 0.7 3.5 ! C.26 at 2.36e+07 assign (resid 7 and name HA ) (resid 10 and name HN ) 2.5 0.7 3.5 ! A.825 at 6.42e+06 assign (resid 7 and name HA ) (resid 10 and name HD1# ) 2.5 0.7 4.0 ! A.356 at 1.91e+07 assign (resid 7 and name HG12 ) (resid 18 and name HA ) 2.5 0.7 3.5 ! A.355 at 1.60e+07 assign (resid 8 and name HA ) (resid 8 and name HN ) 2.5 0.7 3.5 ! A.1022 at 1.80e+07 assign (resid 8 and name HA ) (resid 8 and name HB2 ) 2.5 0.7 3.5 ! A.1024 at 5.47e+07 assign (resid 8 and name HA ) (resid 8 and name HG1 ) 2.5 0.7 3.5 ! A.1037 at 3.12e+07 assign (resid 8 and name HA ) (resid 8 and name HD2 ) 2.5 0.7 3.5 ! A.1023 at 5.82e+06 assign (resid 8 and name HA ) (resid 8 and name HG2 ) 2.5 0.7 3.5 ! A.1032 at 2.58e+07 assign (resid 8 and name HD2 ) (resid 8 and name HB1 ) 2.5 0.7 3.5 ! A.1513 at 7.44e+06 assign (resid 8 and name HD1 ) (resid 8 and name HB2 ) 2.5 0.7 3.5 ! A.1514 at 9.85e+06 assign (resid 8 and name HD2 ) (resid 8 and name HG1 ) 2.5 0.7 3.5 ! A.1511 at 2.39e+07 assign (resid 8 and name HD1 ) (resid 8 and name HB1 ) 2.5 0.7 3.5 ! A.1512 at 8.59e+06 assign (resid 8 and name HD1 ) (resid 8 and name HG2 ) 2.5 0.7 3.5 ! A.1508 at 2.36e+07 assign (resid 8 and name HD1 ) (resid 8 and name HG1 ) 2.5 0.7 3.5 ! A.1510 at 2.76e+07 assign (resid 8 and name HD2 ) (resid 8 and name HG2 ) 2.5 0.7 3.5 ! A.1509 at 2.00e+07 assign (resid 8 and name HD1 ) (resid 8 and name HA ) 2.5 0.7 3.5 ! A.1515 at 3.91e+06 assign (resid 8 and name HB2 ) (resid 8 and name HD2 ) 2.5 0.7 3.5 ! A.1040 at 1.13e+07 assign (resid 8 and name HB1 ) (resid 8 and name HN ) 2.5 0.7 3.5 ! A.1038 at 1.42e+07 assign (resid 8 and name HB2 ) (resid 8 and name HN ) 2.5 0.7 3.5 ! A.1039 at 1.67e+07 assign (resid 8 and name HG1 ) (resid 8 and name HG2 ) 2.5 0.7 3.5 ! A.1657 at 7.64e+07 assign (resid 8 and name HG1 ) (resid 8 and name HN ) 2.5 0.7 3.5 ! A.1267 at 3.99e+06 assign (resid 8 and name HG2 ) (resid 8 and name HN ) 2.5 0.7 3.5 ! C.627 at 8.85e+06 assign (resid 8 and name HG1 ) (resid 9 and name HA ) 2.5 0.7 3.5 ! A.2057 at 4.78e+06 assign (resid 8 and name HB2 ) (resid 9 and name HN ) 2.5 0.7 3.5 ! A.932 at 5.02e+06 assign (resid 8 and name HB1 ) (resid 9 and name HN ) 2.5 0.7 3.5 ! A.650 at 8.87e+06 assign (resid 8 and name HN ) (resid 9 and name HN ) 2.5 0.7 3.5 ! C.66 at 5.69e+07 assign (resid 8 and name HG2 ) (resid 9 and name HN ) 2.5 0.7 3.5 ! C.80 at 5.50e+06 assign (resid 8 and name HN ) (resid 10 and name HN ) 2.5 0.7 3.5 ! C.868 at 6.33e+06 assign (resid 8 and name HA ) (resid 11 and name HB# ) 2.5 0.7 4.0 ! A.933 at 1.27e+07 assign (resid 8 and name HA ) (resid 11 and name HD1 ) 2.5 0.7 3.5 ! A.1950 at 2.37e+06 assign (resid 8 and name HA ) (resid 11 and name HN ) 2.5 0.7 3.5 ! C.86 at 6.06e+06 assign (resid 8 and name HG2 ) (resid 12 and name HD21 ) 2.5 0.7 3.5 ! A.1658 at 2.77e+06 assign (resid 8 and name HG2 ) (resid 12 and name HD22 ) 2.5 0.7 3.5 ! A.1659 at 2.39e+06 assign (resid 8 and name HG1 ) (resid 12 and name HD21 ) 2.5 0.7 3.5 ! C.1132 at 5.62e+06 assign (resid 8 and name HG1 ) (resid 12 and name HD22 ) 2.5 0.7 3.5 ! C.1032 at 4.46e+06 assign (resid 8 and name HD2 ) (resid 12 and name HD21 ) 2.5 0.7 3.5 ! C.1026 at 3.65e+06 assign (resid 9 and name HA ) (resid 9 and name HB2 ) 2.5 0.7 3.5 ! A.482 at 5.42e+07 assign (resid 9 and name HA ) (resid 9 and name HN ) 2.5 0.7 3.5 ! A.485 at 1.34e+07 assign (resid 9 and name HA ) (resid 9 and name HG1 ) 2.5 0.7 3.5 ! A.2108 at 1.06e+07 assign (resid 9 and name HG1 ) (resid 9 and name HG2 ) 2.5 0.7 3.5 ! A.1963 at 6.04e+07 assign (resid 9 and name HG1 ) (resid 9 and name HN ) 2.5 0.7 3.5 ! A.946 at 1.29e+07 assign (resid 9 and name HG2 ) (resid 9 and name HA ) 2.5 0.7 3.5 ! A.1178 at 5.01e+06 assign (resid 9 and name HG2 ) (resid 9 and name HN ) 2.5 0.7 3.5 ! A.947 at 8.68e+06 assign (resid 9 and name HB2 ) (resid 9 and name HN ) 2.5 0.7 3.5 ! A.1004 at 8.19e+06 assign (resid 9 and name HB2 ) (resid 9 and name HG1 ) 2.5 0.7 3.5 ! A.1006 at 1.26e+07 assign (resid 9 and name HB2 ) (resid 10 and name HA ) 2.5 0.7 3.5 ! A.1000 at 8.81e+06 assign (resid 9 and name HA ) (resid 10 and name HN ) 2.5 0.7 3.5 ! A.486 at 1.24e+07 assign (resid 9 and name HB1 ) (resid 10 and name HB ) 2.5 0.7 3.5 ! A.995 at 4.11e+06 assign (resid 9 and name HG1 ) (resid 10 and name HN ) 2.5 0.7 3.5 ! C.153 at 3.79e+06 assign (resid 9 and name HB2 ) (resid 10 and name HN ) 2.5 0.7 3.5 ! C.53 at 2.90e+07 assign (resid 9 and name HN ) (resid 11 and name HN ) 2.5 0.7 3.5 ! C.467 at 3.90e+06 assign (resid 9 and name HA ) (resid 12 and name HB# ) 2.5 0.7 4.0 ! A.1417 at 3.53e+07 assign (resid 9 and name HA ) (resid 12 and name HD21 ) 2.5 0.7 3.5 ! A.487 at 6.02e+06 assign (resid 9 and name HN ) (resid 12 and name HN ) 2.5 0.7 3.5 ! C.31 at 1.92e+07 assign (resid 9 and name HB1 ) (resid 12 and name HD21 ) 2.5 0.7 3.5 ! C.1137 at 4.57e+06 assign (resid 9 and name HG1 ) (resid 80 and name HG2# ) 2.5 0.7 4.0 ! A.1179 at 4.00e+06 assign (resid 9 and name HG2 ) (resid 80 and name HG2# ) 2.5 0.7 4.0 ! A.1960 at 7.80e+06 assign (resid 9 and name HG1 ) (resid 83 and name HG1 ) 2.5 0.7 3.5 ! A.1953 at 3.77e+06 assign (resid 10 and name HA ) (resid 10 and name HN ) 2.5 0.7 3.5 ! A.22 at 1.44e+07 assign (resid 10 and name HA ) (resid 10 and name HG2# ) 2.5 0.7 4.0 ! A.998 at 5.65e+07 assign (resid 10 and name HA ) (resid 10 and name HG12 ) 2.5 0.7 3.5 ! A.997 at 2.54e+07 assign (resid 10 and name HA ) (resid 10 and name HG11 ) 2.5 0.7 3.5 ! A.996 at 2.83e+07 assign (resid 10 and name HB ) (resid 10 and name HG2# ) 2.5 0.7 4.0 ! A.383 at 3.01e+07 assign (resid 10 and name HB ) (resid 10 and name HN ) 2.5 0.7 3.5 ! A.381 at 1.82e+07 assign (resid 10 and name HB ) (resid 10 and name HA ) 2.5 0.7 3.5 ! A.382 at 1.26e+07 assign (resid 10 and name HB ) (resid 10 and name HD1# ) 2.5 0.7 4.0 ! A.384 at 2.16e+07 assign (resid 10 and name HG11 ) (resid 10 and name HN ) 2.5 0.7 3.5 ! A.1976 at 1.24e+07 assign (resid 10 and name HG12 ) (resid 10 and name HN ) 2.5 0.7 3.5 ! A.1920 at 5.36e+06 assign (resid 10 and name HG12 ) (resid 10 and name HG11 ) 2.5 0.7 3.5 ! A.1916 at 3.30e+07 assign (resid 10 and name HG11 ) (resid 10 and name HD1# ) 2.5 0.7 4.0 ! A.1882 at 5.71e+07 assign (resid 10 and name HG12 ) (resid 10 and name HG2# ) 2.5 0.7 4.0 ! A.1917 at 1.80e+07 assign (resid 10 and name HG2# ) (resid 10 and name HN ) 2.5 0.7 4.0 ! A.1257 at 1.08e+07 assign (resid 10 and name HG2# ) (resid 10 and name HD1# ) 2.5 0.7 4.5 ! A.2016 at 8.16e+07 assign (resid 10 and name HD1# ) (resid 10 and name HN ) 2.5 0.7 4.0 ! A.127 at 9.43e+06 assign (resid 10 and name HA ) (resid 11 and name HN ) 2.5 0.7 3.5 ! C.87 at 7.79e+06 assign (resid 10 and name HG12 ) (resid 11 and name HN ) 2.5 0.7 3.5 ! C.466 at 5.03e+06 assign (resid 10 and name HB ) (resid 11 and name HN ) 2.5 0.7 3.5 ! C.463 at 5.90e+07 assign (resid 10 and name HA ) (resid 13 and name HN ) 2.5 0.7 3.5 ! A.149 at 3.58e+06 assign (resid 10 and name HA ) (resid 13 and name HG# ) 2.5 0.7 4.0 ! A.1952 at 2.98e+06 assign (resid 10 and name HN ) (resid 13 and name HN ) 2.5 0.7 3.5 ! C.866 at 3.73e+06 assign (resid 10 and name HG2# ) (resid 13 and name HN ) 2.5 0.7 4.0 ! C.560 at 5.81e+06 assign (resid 10 and name HG2# ) (resid 14 and name HN ) 2.5 0.7 4.0 ! C.764 at 3.25e+06 assign (resid 10 and name HA ) (resid 15 and name HD# ) 2.5 0.7 3.5 ! A.150 at 2.83e+06 assign (resid 10 and name HG2# ) (resid 15 and name HB2 ) 2.5 0.7 4.0 ! A.308 at 2.59e+07 assign (resid 10 and name HG2# ) (resid 15 and name HB1 ) 2.5 0.7 4.0 ! A.309 at 2.60e+07 assign (resid 10 and name HG2# ) (resid 15 and name HD# ) 2.5 0.7 4.0 ! A.1256 at 9.91e+06 assign (resid 10 and name HD1# ) (resid 15 and name HE# ) 2.5 0.7 4.0 ! A.126 at 1.42e+07 assign (resid 10 and name HG12 ) (resid 15 and name HE# ) 2.5 0.7 3.5 ! B.183 at 1.51e+06 assign (resid 10 and name HG2# ) (resid 15 and name HE# ) 2.5 0.7 4.0 ! B.182 at 1.88e+06 assign (resid 10 and name HA ) (resid 15 and name HN ) 2.5 0.7 3.5 ! C.666 at 1.70e+06 assign (resid 10 and name HG2# ) (resid 15 and name HN ) 2.5 0.7 4.0 ! C.661 at 1.65e+07 assign (resid 10 and name HG2# ) (resid 17 and name HB ) 2.5 0.7 4.0 ! A.2013 at 3.51e+07 assign (resid 10 and name HD1# ) (resid 32 and name HD1# ) 2.5 0.7 4.5 ! A.1248 at 3.46e+07 assign (resid 10 and name HD1# ) (resid 80 and name HB ) 2.5 0.7 4.0 ! A.1756 at 2.82e+06 assign (resid 10 and name HA ) (resid 80 and name HD1# ) 2.5 0.7 4.0 ! A.924 at 3.25e+07 assign (resid 10 and name HN ) (resid 80 and name HD1# ) 2.5 0.7 4.0 ! C.862 at 3.29e+07 assign (resid 11 and name HA ) (resid 11 and name HD# ) 2.5 0.7 4.0 ! A.315 at 3.99e+07 assign (resid 11 and name HB# ) (resid 11 and name HA ) 2.5 0.7 4.0 ! A.312 at 2.14e+07 assign (resid 11 and name HB# ) (resid 11 and name HN ) 2.5 0.7 4.0 ! A.311 at 2.09e+07 assign (resid 11 and name HD1 ) (resid 11 and name HN ) 2.5 0.7 3.5 ! A.1946 at 1.03e+07 assign (resid 11 and name HD1 ) (resid 11 and name HE# ) 2.5 0.7 4.0 ! A.1948 at 5.04e+06 assign (resid 11 and name HD1 ) (resid 11 and name HA ) 2.5 0.7 3.5 ! A.1857 at 8.70e+06 assign (resid 11 and name HD2 ) (resid 11 and name HA ) 2.5 0.7 3.5 ! A.1274 at 1.60e+07 assign (resid 11 and name HD2 ) (resid 11 and name HE# ) 2.5 0.7 4.0 ! A.1275 at 6.53e+06 assign (resid 11 and name HD# ) (resid 11 and name HN ) 2.5 0.7 4.0 ! C.979 at 1.39e+07 assign (resid 11 and name HA ) (resid 11 and name HN ) 2.5 0.7 3.5 ! C.85 at 2.07e+07 assign (resid 11 and name HD2 ) (resid 12 and name HN ) 2.5 0.7 3.5 ! A.1276 at 4.49e+06 assign (resid 11 and name HA ) (resid 12 and name HN ) 2.5 0.7 3.5 ! C.533 at 1.84e+07 assign (resid 11 and name HB# ) (resid 12 and name HN ) 2.5 0.7 4.0 ! C.1050 at 4.38e+07 assign (resid 11 and name HN ) (resid 13 and name HN ) 2.5 0.7 3.5 ! C.83 at 3.56e+06 assign (resid 11 and name HA ) (resid 14 and name HN ) 2.5 0.7 3.5 ! A.1228 at 2.98e+06 assign (resid 11 and name HD# ) (resid 14 and name HN ) 2.5 0.7 4.0 ! C.763 at 5.95e+06 assign (resid 11 and name HA ) (resid 15 and name HN ) 2.5 0.7 3.5 ! A.319 at 1.55e+07 assign (resid 11 and name HD# ) (resid 15 and name HN ) 2.5 0.7 4.0 ! C.766 at 3.87e+06 assign (resid 11 and name HA ) (resid 17 and name HG2# ) 2.5 0.7 4.0 ! A.316 at 1.21e+07 assign (resid 11 and name HD1 ) (resid 17 and name HG2# ) 2.5 0.7 4.0 ! A.1949 at 1.88e+07 assign (resid 11 and name HN ) (resid 17 and name HG2# ) 2.5 0.7 4.0 ! C.465 at 1.81e+07 assign (resid 12 and name HA ) (resid 12 and name HB# ) 2.5 0.7 4.0 ! A.352 at 6.51e+07 assign (resid 12 and name HA ) (resid 12 and name HD21 ) 2.5 0.7 3.5 ! A.351 at 7.00e+06 assign (resid 12 and name HB# ) (resid 12 and name HN ) 2.5 0.7 4.0 ! A.956 at 3.34e+07 assign (resid 12 and name HB# ) (resid 12 and name HD21 ) 2.5 0.7 4.0 ! A.957 at 1.56e+07 assign (resid 12 and name HA ) (resid 12 and name HN ) 2.5 0.7 3.5 ! C.530 at 3.56e+07 assign (resid 12 and name HD22 ) (resid 12 and name HD21 ) 2.5 0.7 3.5 ! C.1130 at 1.55e+08 assign (resid 12 and name HB# ) (resid 12 and name HD22 ) 2.5 0.7 4.0 ! C.1031 at 1.42e+07 assign (resid 12 and name HB# ) (resid 13 and name HD# ) 2.5 0.7 4.5 ! A.1270 at 1.12e+07 assign (resid 12 and name HN ) (resid 13 and name HN ) 2.5 0.7 3.5 ! C.33 at 3.91e+07 assign (resid 12 and name HB# ) (resid 13 and name HN ) 2.5 0.7 4.0 ! C.559 at 2.18e+07 assign (resid 12 and name HA ) (resid 14 and name HN ) 2.5 0.7 3.5 ! C.757 at 7.87e+06 assign (resid 13 and name HA ) (resid 13 and name HB2 ) 2.5 0.7 3.5 ! A.393 at 1.63e+07 assign (resid 13 and name HA ) (resid 13 and name HB1 ) 2.5 0.7 3.5 ! A.394 at 2.62e+07 assign (resid 13 and name HA ) (resid 13 and name HG# ) 2.5 0.7 4.0 ! A.392 at 4.09e+07 assign (resid 13 and name HA ) (resid 13 and name HN ) 2.5 0.7 3.5 ! A.395 at 1.21e+07 assign (resid 13 and name HB1 ) (resid 13 and name HN ) 2.5 0.7 3.5 ! A.151 at 6.31e+06 assign (resid 13 and name HB2 ) (resid 13 and name HN ) 2.5 0.7 3.5 ! A.156 at 1.15e+07 assign (resid 13 and name HD# ) (resid 13 and name HB1 ) 2.5 0.7 4.0 ! A.1881 at 9.61e+06 assign (resid 13 and name HD# ) (resid 13 and name HA ) 2.5 0.7 4.0 ! A.1271 at 1.50e+07 assign (resid 13 and name HG# ) (resid 13 and name HB1 ) 2.5 0.7 4.0 ! A.1290 at 1.34e+07 assign (resid 13 and name HG# ) (resid 13 and name HN ) 2.5 0.7 4.0 ! C.557 at 2.58e+07 assign (resid 13 and name HA ) (resid 14 and name HN ) 2.5 0.7 3.5 ! A.1287 at 5.03e+06 assign (resid 13 and name HN ) (resid 14 and name HA ) 2.5 0.7 3.5 ! C.561 at 6.02e+06 assign (resid 13 and name HN ) (resid 14 and name HN ) 2.5 0.7 3.5 ! C.474 at 3.78e+07 assign (resid 13 and name HB2 ) (resid 14 and name HN ) 2.5 0.7 3.5 ! C.762 at 7.13e+06 assign (resid 13 and name HB1 ) (resid 14 and name HN ) 2.5 0.7 3.5 ! C.761 at 4.64e+06 assign (resid 13 and name HB2 ) (resid 15 and name HE# ) 2.5 0.7 3.5 ! A.154 at 4.21e+06 assign (resid 13 and name HB2 ) (resid 15 and name HD# ) 2.5 0.7 3.5 ! A.155 at 8.43e+06 assign (resid 13 and name HB1 ) (resid 15 and name HD# ) 2.5 0.7 3.5 ! A.152 at 7.29e+06 assign (resid 13 and name HB1 ) (resid 15 and name HE# ) 2.5 0.7 3.5 ! A.153 at 8.46e+06 assign (resid 13 and name HG# ) (resid 15 and name HD# ) 2.5 0.7 4.0 ! B.158 at 1.65e+06 assign (resid 13 and name HG# ) (resid 15 and name HE# ) 2.5 0.7 4.0 ! B.24 at 3.86e+06 assign (resid 13 and name HN ) (resid 15 and name HN ) 2.5 0.7 3.5 ! C.886 at 8.36e+06 assign (resid 13 and name HN ) (resid 15 and name HD# ) 2.5 0.7 3.5 ! C.885 at 1.04e+07 assign (resid 13 and name HB1 ) (resid 15 and name HN ) 2.5 0.7 3.5 ! C.667 at 3.22e+06 assign (resid 13 and name HB2 ) (resid 15 and name HN ) 2.5 0.7 3.5 ! C.659 at 5.08e+06 assign (resid 13 and name HG# ) (resid 76 and name HB2 ) 2.5 0.7 4.0 ! A.1191 at 4.14e+06 assign (resid 14 and name HA ) (resid 14 and name HN ) 2.5 0.7 3.5 ! A.1284 at 5.85e+07 assign (resid 14 and name HA ) (resid 14 and name HB1 ) 2.5 0.7 3.5 ! A.1285 at 4.26e+07 assign (resid 14 and name HA ) (resid 14 and name HB2 ) 2.5 0.7 3.5 ! A.1286 at 2.91e+07 assign (resid 14 and name HB2 ) (resid 14 and name HN ) 2.5 0.7 3.5 ! A.968 at 5.75e+06 assign (resid 14 and name HB1 ) (resid 14 and name HN ) 2.5 0.7 3.5 ! A.967 at 3.40e+06 assign (resid 14 and name HA ) (resid 15 and name HN ) 2.5 0.7 3.5 ! A.1283 at 1.51e+07 assign (resid 14 and name HN ) (resid 15 and name HN ) 2.5 0.7 3.5 ! C.653 at 3.38e+07 assign (resid 15 and name HA ) (resid 15 and name HN ) 2.5 0.7 3.5 ! A.262 at 8.42e+06 assign (resid 15 and name HA ) (resid 15 and name HB1 ) 2.5 0.7 3.5 ! A.148 at 2.08e+07 assign (resid 15 and name HA ) (resid 15 and name HB2 ) 2.5 0.7 3.5 ! A.86 at 1.58e+07 assign (resid 15 and name HB2 ) (resid 15 and name HD# ) 2.5 0.7 3.5 ! A.303 at 1.63e+07 assign (resid 15 and name HB2 ) (resid 15 and name HN ) 2.5 0.7 3.5 ! A.302 at 8.69e+06 assign (resid 15 and name HB1 ) (resid 15 and name HD# ) 2.5 0.7 3.5 ! A.430 at 1.79e+07 assign (resid 15 and name HD# ) (resid 15 and name HE# ) 2.5 0.7 3.5 ! B.191 at 2.18e+07 assign (resid 15 and name HD# ) (resid 15 and name HA ) 2.5 0.7 3.5 ! B.6 at 4.22e+06 assign (resid 15 and name HE# ) (resid 15 and name HB1 ) 2.5 0.7 3.5 ! B.212 at 1.75e+06 assign (resid 15 and name HE# ) (resid 15 and name HB2 ) 2.5 0.7 3.5 ! B.205 at 1.25e+06 assign (resid 15 and name HE# ) (resid 15 and name HA ) 2.5 0.7 3.5 ! B.164 at 6.90e+06 assign (resid 15 and name HD# ) (resid 15 and name HN ) 2.5 0.7 3.5 ! C.662 at 2.66e+07 assign (resid 15 and name HB1 ) (resid 15 and name HN ) 2.5 0.7 3.5 ! C.657 at 2.25e+07 assign (resid 15 and name HA ) (resid 16 and name HG2# ) 2.5 0.7 4.0 ! A.929 at 3.17e+06 assign (resid 15 and name HB1 ) (resid 16 and name HN ) 2.5 0.7 3.5 ! A.429 at 7.71e+06 assign (resid 15 and name HB2 ) (resid 16 and name HN ) 2.5 0.7 3.5 ! A.310 at 2.96e+06 assign (resid 15 and name HD# ) (resid 16 and name HG2# ) 2.5 0.7 4.0 ! B.159 at 3.14e+06 assign (resid 15 and name HD# ) (resid 16 and name HN ) 2.5 0.7 3.5 ! B.160 at 1.89e+06 assign (resid 15 and name HN ) (resid 16 and name HN ) 2.5 0.7 3.5 ! C.117 at 2.26e+06 assign (resid 15 and name HA ) (resid 16 and name HN ) 2.5 0.7 3.5 ! C.113 at 5.15e+07 assign (resid 15 and name HA ) (resid 17 and name HN ) 2.5 0.7 3.5 ! C.158 at 5.04e+06 assign (resid 15 and name HB2 ) (resid 32 and name HD1# ) 2.5 0.7 4.0 ! A.1714 at 6.72e+06 assign (resid 15 and name HB1 ) (resid 33 and name HN ) 2.5 0.7 3.5 ! C.856 at 2.24e+06 assign (resid 15 and name HD# ) (resid 34 and name HA ) 2.5 0.7 3.5 ! A.4 at 9.65e+06 assign (resid 15 and name HE# ) (resid 34 and name HA ) 2.5 0.7 3.5 ! A.5 at 6.63e+06 assign (resid 15 and name HD# ) (resid 73 and name HD# ) 2.5 0.7 3.5 ! B.35 at 1.73e+06 assign (resid 15 and name HE# ) (resid 76 and name HB1 ) 2.5 0.7 3.5 ! A.1644 at 5.49e+06 assign (resid 15 and name HE# ) (resid 76 and name HB2 ) 2.5 0.7 3.5 ! A.1134 at 7.35e+06 assign (resid 15 and name HE# ) (resid 76 and name HN ) 2.5 0.7 3.5 ! C.891 at 1.85e+06 assign (resid 15 and name HD# ) (resid 80 and name HD1# ) 2.5 0.7 4.0 ! A.740 at 7.41e+06 assign (resid 16 and name HB ) (resid 16 and name HN ) 2.5 0.7 3.5 ! A.904 at 2.61e+07 assign (resid 16 and name HB ) (resid 16 and name HA ) 2.5 0.7 3.5 ! A.921 at 2.45e+07 assign (resid 16 and name HB ) (resid 16 and name HG2# ) 2.5 0.7 4.0 ! A.908 at 5.58e+07 assign (resid 16 and name HA ) (resid 16 and name HN ) 2.5 0.7 3.5 ! A.1087 at 1.37e+07 assign (resid 16 and name HA ) (resid 16 and name HG2# ) 2.5 0.7 4.0 ! A.1176 at 4.01e+07 assign (resid 16 and name HG2# ) (resid 16 and name HN ) 2.5 0.7 4.0 ! A.227 at 9.57e+06 assign (resid 16 and name HB ) (resid 17 and name HN ) 2.5 0.7 3.5 ! A.905 at 9.22e+06 assign (resid 16 and name HA ) (resid 17 and name HA ) 2.5 0.7 3.5 ! A.1175 at 2.41e+06 assign (resid 16 and name HA ) (resid 17 and name HN ) 2.5 0.7 3.5 ! A.1088 at 7.53e+07 assign (resid 16 and name HG2# ) (resid 17 and name HN ) 2.5 0.7 4.0 ! C.385 at 1.97e+07 assign (resid 16 and name HN ) (resid 17 and name HG2# ) 2.5 0.7 4.0 ! C.636 at 7.52e+06 assign (resid 16 and name HB ) (resid 33 and name HB2 ) 2.5 0.7 3.5 ! A.910 at 1.44e+07 assign (resid 16 and name HB ) (resid 33 and name HB1 ) 2.5 0.7 3.5 ! A.911 at 2.05e+07 assign (resid 16 and name HB ) (resid 33 and name HD2 ) 2.5 0.7 3.5 ! A.918 at 9.35e+06 assign (resid 16 and name HB ) (resid 33 and name HG2 ) 2.5 0.7 3.5 ! A.909 at 6.11e+06 assign (resid 16 and name HG2# ) (resid 33 and name HD1 ) 2.5 0.7 4.0 ! A.1635 at 9.47e+06 assign (resid 16 and name HG2# ) (resid 33 and name HD2 ) 2.5 0.7 4.0 ! A.1636 at 9.26e+06 assign (resid 16 and name HB ) (resid 33 and name HD1 ) 2.5 0.7 3.5 ! A.920 at 6.41e+06 assign (resid 16 and name HB ) (resid 33 and name HN ) 2.5 0.7 3.5 ! C.119 at 4.81e+06 assign (resid 16 and name HN ) (resid 33 and name HD2 ) 2.5 0.7 3.5 ! C.637 at 2.57e+06 assign (resid 16 and name HN ) (resid 33 and name HB2 ) 2.5 0.7 3.5 ! C.633 at 6.65e+06 assign (resid 16 and name HN ) (resid 33 and name HG2 ) 2.5 0.7 3.5 ! C.634 at 3.32e+06 assign (resid 16 and name HN ) (resid 33 and name HB1 ) 2.5 0.7 3.5 ! C.632 at 9.06e+06 assign (resid 17 and name HA ) (resid 17 and name HN ) 2.5 0.7 3.5 ! A.44 at 9.51e+06 assign (resid 17 and name HA ) (resid 17 and name HG2# ) 2.5 0.7 4.0 ! A.47 at 4.39e+07 assign (resid 17 and name HA ) (resid 17 and name HB ) 2.5 0.7 3.5 ! A.46 at 3.12e+07 assign (resid 17 and name HB ) (resid 17 and name HG2# ) 2.5 0.7 4.0 ! A.281 at 6.22e+07 assign (resid 17 and name HB ) (resid 17 and name HN ) 2.5 0.7 3.5 ! A.280 at 3.83e+06 assign (resid 17 and name HG1# ) (resid 17 and name HA ) 2.5 0.7 4.0 ! A.184 at 1.28e+07 assign (resid 17 and name HG1# ) (resid 17 and name HN ) 2.5 0.7 4.0 ! A.282 at 1.55e+07 assign (resid 17 and name HA ) (resid 18 and name HN ) 2.5 0.7 3.5 ! A.43 at 5.28e+07 assign (resid 17 and name HB ) (resid 18 and name HN ) 2.5 0.7 3.5 ! A.187 at 7.36e+06 assign (resid 17 and name HG2# ) (resid 18 and name HN ) 2.5 0.7 4.0 ! C.172 at 9.96e+06 assign (resid 17 and name HA ) (resid 32 and name HA ) 2.5 0.7 3.5 ! A.131 at 2.24e+07 assign (resid 17 and name HG1# ) (resid 32 and name HA ) 2.5 0.7 4.0 ! A.186 at 1.95e+07 assign (resid 17 and name HA ) (resid 33 and name HN ) 2.5 0.7 3.5 ! A.48 at 9.00e+06 assign (resid 18 and name HA ) (resid 18 and name HG1 ) 2.5 0.7 3.5 ! A.354 at 1.98e+07 assign (resid 18 and name HB1 ) (resid 18 and name HE# ) 2.5 0.7 4.0 ! A.2069 at 3.45e+06 assign (resid 18 and name HB2 ) (resid 18 and name HN ) 2.5 0.7 3.5 ! A.713 at 7.88e+06 assign (resid 18 and name HB1 ) (resid 18 and name HN ) 2.5 0.7 3.5 ! A.712 at 5.73e+06 assign (resid 18 and name HB1 ) (resid 18 and name HA ) 2.5 0.7 3.5 ! A.873 at 1.59e+07 assign (resid 18 and name HB2 ) (resid 18 and name HA ) 2.5 0.7 3.5 ! A.874 at 1.31e+07 assign (resid 18 and name HB1 ) (resid 18 and name HG1 ) 2.5 0.7 3.5 ! A.876 at 2.29e+07 assign (resid 18 and name HB2 ) (resid 18 and name HE# ) 2.5 0.7 4.0 ! A.1691 at 3.58e+06 assign (resid 18 and name HD# ) (resid 18 and name HE# ) 2.5 0.7 4.5 ! A.804 at 5.08e+07 assign (resid 18 and name HG2 ) (resid 18 and name HA ) 2.5 0.7 3.5 ! A.346 at 6.24e+06 assign (resid 18 and name HG1 ) (resid 18 and name HE# ) 2.5 0.7 4.0 ! A.348 at 9.46e+06 assign (resid 18 and name HG2 ) (resid 18 and name HE# ) 2.5 0.7 4.0 ! A.349 at 9.56e+06 assign (resid 18 and name HG2 ) (resid 18 and name HN ) 2.5 0.7 3.5 ! A.1238 at 2.20e+06 assign (resid 18 and name HD# ) (resid 18 and name HN ) 2.5 0.7 4.0 ! C.644 at 8.38e+06 assign (resid 18 and name HA ) (resid 18 and name HN ) 2.5 0.7 3.5 ! C.167 at 5.54e+06 assign (resid 18 and name HA ) (resid 19 and name HN ) 2.5 0.7 3.5 ! A.350 at 5.45e+07 assign (resid 18 and name HA ) (resid 19 and name HA ) 2.5 0.7 3.5 ! A.1485 at 3.73e+06 assign (resid 18 and name HA ) (resid 19 and name HB1 ) 2.5 0.7 3.5 ! A.1642 at 2.10e+06 assign (resid 18 and name HB2 ) (resid 19 and name HN ) 2.5 0.7 3.5 ! A.714 at 3.57e+06 assign (resid 18 and name HB1 ) (resid 19 and name HN ) 2.5 0.7 3.5 ! A.875 at 3.43e+06 assign (resid 18 and name HG1 ) (resid 19 and name HN ) 2.5 0.7 3.5 ! C.960 at 1.26e+07 assign (resid 18 and name HB2 ) (resid 31 and name HD1# ) 2.5 0.7 4.0 ! A.871 at 7.41e+06 assign (resid 18 and name HB1 ) (resid 31 and name HD1# ) 2.5 0.7 4.0 ! A.872 at 1.10e+07 assign (resid 18 and name HN ) (resid 32 and name HA ) 2.5 0.7 3.5 ! A.85 at 5.00e+06 assign (resid 18 and name HN ) (resid 33 and name HN ) 2.5 0.7 3.5 ! C.956 at 4.19e+06 assign (resid 19 and name HA ) (resid 19 and name HN ) 2.5 0.7 3.5 ! A.83 at 7.83e+06 assign (resid 19 and name HA ) (resid 19 and name HD1# ) 2.5 0.7 4.0 ! A.81 at 4.64e+07 assign (resid 19 and name HA ) (resid 19 and name HG ) 2.5 0.7 3.5 ! A.1482 at 2.89e+07 assign (resid 19 and name HB1 ) (resid 19 and name HN ) 2.5 0.7 3.5 ! A.1347 at 6.74e+06 assign (resid 19 and name HB1 ) (resid 19 and name HD1# ) 2.5 0.7 4.0 ! A.1349 at 4.18e+07 assign (resid 19 and name HB2 ) (resid 19 and name HA ) 2.5 0.7 3.5 ! A.1346 at 5.06e+06 assign (resid 19 and name HB2 ) (resid 19 and name HD1# ) 2.5 0.7 4.0 ! A.1350 at 1.87e+07 assign (resid 19 and name HB1 ) (resid 19 and name HA ) 2.5 0.7 3.5 ! A.1345 at 1.31e+07 assign (resid 19 and name HB2 ) (resid 19 and name HN ) 2.5 0.7 3.5 ! A.1348 at 3.41e+06 assign (resid 19 and name HG ) (resid 19 and name HN ) 2.5 0.7 3.5 ! A.399 at 2.74e+06 assign (resid 19 and name HD* ) (resid 19 and name HA ) 2.5 0.7 4.0 ! A.188 at 4.49e+07 assign (resid 19 and name HD* ) (resid 19 and name HB2 ) 2.5 0.7 4.0 ! A.782 at 1.68e+08 assign (resid 19 and name HD1# ) (resid 19 and name HN ) 2.5 0.7 4.0 ! C.179 at 2.13e+07 assign (resid 19 and name HA ) (resid 20 and name HN ) 2.5 0.7 3.5 ! A.82 at 1.83e+07 assign (resid 19 and name HA ) (resid 20 and name HB2 ) 2.5 0.7 3.5 ! A.1483 at 3.36e+06 assign (resid 19 and name HN ) (resid 20 and name HA ) 2.5 0.7 3.5 ! C.177 at 5.20e+06 assign (resid 19 and name HA ) (resid 30 and name HA ) 2.5 0.7 3.5 ! A.136 at 1.66e+07 assign (resid 19 and name HA ) (resid 30 and name HD1# ) 2.5 0.7 4.0 ! A.221 at 1.22e+07 assign (resid 19 and name HD* ) (resid 30 and name HA ) 2.5 0.7 4.0 ! A.1893 at 2.34e+07 assign (resid 19 and name HA ) (resid 31 and name HN ) 2.5 0.7 3.5 ! C.244 at 9.25e+06 assign (resid 20 and name HB2 ) (resid 20 and name HA ) 2.5 0.7 3.5 ! A.885 at 2.64e+07 assign (resid 20 and name HB1 ) (resid 20 and name HA ) 2.5 0.7 3.5 ! A.884 at 2.85e+07 assign (resid 20 and name HA ) (resid 21 and name HA1 ) 2.5 0.7 3.5 ! A.540 at 5.84e+06 assign (resid 20 and name HA ) (resid 21 and name HN ) 2.5 0.7 3.5 ! C.183 at 1.11e+07 assign (resid 20 and name HB1 ) (resid 21 and name HN ) 2.5 0.7 3.5 ! C.186 at 2.32e+06 assign (resid 20 and name HA ) (resid 22 and name HG2# ) 2.5 0.7 4.0 ! A.881 at 1.57e+07 assign (resid 20 and name HB2 ) (resid 29 and name HG2 ) 2.5 0.7 3.5 ! A.1969 at 4.86e+06 assign (resid 20 and name HB2 ) (resid 29 and name HG1 ) 2.5 0.7 3.5 ! A.1968 at 3.87e+06 assign (resid 20 and name HB2 ) (resid 29 and name HB2 ) 2.5 0.7 3.5 ! A.1661 at 5.65e+06 assign (resid 20 and name HA ) (resid 29 and name HE22 ) 2.5 0.7 3.5 ! C.794 at 7.00e+06 assign (resid 20 and name HA ) (resid 29 and name HE21 ) 2.5 0.7 3.5 ! C.785 at 7.19e+06 assign (resid 21 and name HA2 ) (resid 21 and name HN ) 2.5 0.7 3.5 ! C.184 at 3.35e+06 assign (resid 21 and name HA1 ) (resid 22 and name HG2# ) 2.5 0.7 4.0 ! A.544 at 5.11e+06 assign (resid 21 and name HA2 ) (resid 22 and name HG2# ) 2.5 0.7 4.0 ! A.543 at 3.54e+06 assign (resid 22 and name HB ) (resid 22 and name HG2# ) 2.5 0.7 4.0 ! A.163 at 5.34e+07 assign (resid 22 and name HA ) (resid 22 and name HG2# ) 2.5 0.7 4.0 ! A.161 at 5.07e+07 assign (resid 22 and name HG2# ) (resid 22 and name HN ) 2.5 0.7 4.0 ! C.642 at 1.93e+06 assign (resid 22 and name HA ) (resid 22 and name HN ) 2.5 0.7 3.5 ! C.641 at 2.15e+06 assign (resid 22 and name HG2# ) (resid 23 and name HN ) 2.5 0.7 4.0 ! C.445 at 3.06e+06 assign (resid 22 and name HA ) (resid 23 and name HN ) 2.5 0.7 3.5 ! C.444 at 4.51e+06 assign (resid 23 and name HA ) (resid 23 and name HB2 ) 2.5 0.7 3.5 ! A.138 at 1.17e+08 assign (resid 23 and name HB1 ) (resid 23 and name HN ) 2.5 0.7 3.5 ! C.439 at 6.34e+06 assign (resid 24 and name HB# ) (resid 24 and name HA ) 2.5 0.7 4.0 ! A.1459 at 7.92e+07 assign (resid 24 and name HB# ) (resid 25 and name HA ) 2.5 0.7 4.0 ! A.1460 at 2.19e+07 assign (resid 24 and name HB# ) (resid 25 and name HB1 ) 2.5 0.7 4.0 ! A.1395 at 9.18e+06 assign (resid 25 and name HA ) (resid 25 and name HB1 ) 2.5 0.7 3.5 ! A.590 at 6.37e+07 assign (resid 25 and name HB2 ) (resid 25 and name HA ) 2.5 0.7 3.5 ! A.1992 at 2.05e+07 assign (resid 25 and name HA ) (resid 25 and name HN ) 2.5 0.7 3.5 ! C.582 at 9.68e+06 assign (resid 25 and name HB2 ) (resid 25 and name HN ) 2.5 0.7 3.5 ! C.643 at 2.35e+06 assign (resid 25 and name HA ) (resid 26 and name HN ) 2.5 0.7 3.5 ! C.639 at 2.84e+07 assign (resid 25 and name HB2 ) (resid 26 and name HN ) 2.5 0.7 3.5 ! C.1064 at 3.16e+06 assign (resid 25 and name HB1 ) (resid 27 and name HD1# ) 2.5 0.7 4.0 ! A.2103 at 4.95e+06 assign (resid 26 and name HB1 ) (resid 26 and name HA ) 2.5 0.7 3.5 ! A.570 at 2.48e+07 assign (resid 26 and name HB2 ) (resid 26 and name HA ) 2.5 0.7 3.5 ! A.571 at 1.79e+07 assign (resid 26 and name HA ) (resid 26 and name HN ) 2.5 0.7 3.5 ! A.569 at 2.88e+06 assign (resid 26 and name HB2 ) (resid 26 and name HN ) 2.5 0.7 3.5 ! C.640 at 8.06e+06 assign (resid 26 and name HA ) (resid 27 and name HN ) 2.5 0.7 3.5 ! A.667 at 3.68e+07 assign (resid 26 and name HA ) (resid 27 and name HG11 ) 2.5 0.7 3.5 ! A.322 at 4.35e+06 assign (resid 26 and name HA ) (resid 27 and name HB ) 2.5 0.7 3.5 ! A.321 at 5.63e+06 assign (resid 26 and name HB2 ) (resid 27 and name HG11 ) 2.5 0.7 3.5 ! A.1030 at 2.85e+06 assign (resid 26 and name HB2 ) (resid 27 and name HN ) 2.5 0.7 3.5 ! C.290 at 2.35e+07 assign (resid 26 and name HN ) (resid 27 and name HG11 ) 2.5 0.7 3.5 ! C.1066 at 2.12e+06 assign (resid 26 and name HN ) (resid 27 and name HG12 ) 2.5 0.7 3.5 ! C.1067 at 2.83e+06 assign (resid 26 and name HN ) (resid 27 and name HA ) 2.5 0.7 3.5 ! C.1069 at 2.60e+06 assign (resid 26 and name HN ) (resid 27 and name HD1# ) 2.5 0.7 4.0 ! C.1068 at 2.61e+06 assign (resid 26 and name HN ) (resid 27 and name HB ) 2.5 0.7 3.5 ! C.1065 at 2.04e+06 assign (resid 27 and name HA ) (resid 27 and name HG12 ) 2.5 0.7 3.5 ! A.1332 at 1.72e+07 assign (resid 27 and name HA ) (resid 27 and name HN ) 2.5 0.7 3.5 ! A.1606 at 8.20e+06 assign (resid 27 and name HA ) (resid 27 and name HG2# ) 2.5 0.7 4.0 ! A.1333 at 3.35e+07 assign (resid 27 and name HA ) (resid 27 and name HB ) 2.5 0.7 3.5 ! A.157 at 1.44e+07 assign (resid 27 and name HA ) (resid 27 and name HG11 ) 2.5 0.7 3.5 ! A.158 at 1.05e+07 assign (resid 27 and name HB ) (resid 27 and name HG11 ) 2.5 0.7 3.5 ! A.290 at 2.53e+07 assign (resid 27 and name HB ) (resid 27 and name HG12 ) 2.5 0.7 3.5 ! A.291 at 1.74e+07 assign (resid 27 and name HG11 ) (resid 27 and name HN ) 2.5 0.7 3.5 ! A.30 at 6.40e+06 assign (resid 27 and name HG12 ) (resid 27 and name HG11 ) 2.5 0.7 3.5 ! A.388 at 8.65e+07 assign (resid 27 and name HG12 ) (resid 27 and name HD1# ) 2.5 0.7 4.0 ! A.386 at 4.39e+07 assign (resid 27 and name HG12 ) (resid 27 and name HN ) 2.5 0.7 3.5 ! A.31 at 5.97e+06 assign (resid 27 and name HG11 ) (resid 27 and name HD1# ) 2.5 0.7 4.0 ! A.189 at 8.23e+07 assign (resid 27 and name HG2# ) (resid 27 and name HG11 ) 2.5 0.7 4.0 ! A.676 at 3.98e+07 assign (resid 27 and name HG2# ) (resid 27 and name HB ) 2.5 0.7 4.0 ! A.675 at 7.75e+07 assign (resid 27 and name HD1# ) (resid 27 and name HB ) 2.5 0.7 4.0 ! A.632 at 4.30e+07 assign (resid 27 and name HD1# ) (resid 27 and name HA ) 2.5 0.7 4.0 ! A.628 at 1.87e+07 assign (resid 27 and name HB ) (resid 27 and name HN ) 2.5 0.7 3.5 ! C.291 at 5.84e+07 assign (resid 27 and name HD1# ) (resid 27 and name HN ) 2.5 0.7 4.0 ! C.297 at 2.63e+07 assign (resid 27 and name HD1# ) (resid 45 and name HG1 ) 2.5 0.7 4.0 ! A.639 at 1.03e+07 assign (resid 27 and name HG12 ) (resid 45 and name HN ) 2.5 0.7 3.5 ! C.1152 at 6.98e+06 assign (resid 27 and name HD1# ) (resid 46 and name HN ) 2.5 0.7 4.0 ! C.537 at 6.43e+06 assign (resid 27 and name HD1# ) (resid 50 and name HA ) 2.5 0.7 4.0 ! A.1315 at 5.56e+06 assign (resid 29 and name HG1 ) (resid 29 and name HA ) 2.5 0.7 3.5 ! A.532 at 1.02e+07 assign (resid 29 and name HG2 ) (resid 29 and name HE21 ) 2.5 0.7 3.5 ! A.647 at 4.94e+06 assign (resid 29 and name HG2 ) (resid 29 and name HA ) 2.5 0.7 3.5 ! A.531 at 1.26e+07 assign (resid 29 and name HG1 ) (resid 29 and name HE21 ) 2.5 0.7 3.5 ! A.646 at 3.76e+06 assign (resid 29 and name HB2 ) (resid 29 and name HA ) 2.5 0.7 3.5 ! A.1662 at 9.32e+06 assign (resid 29 and name HB1 ) (resid 29 and name HA ) 2.5 0.7 3.5 ! A.1314 at 1.02e+07 assign (resid 29 and name HG2 ) (resid 29 and name HE22 ) 2.5 0.7 3.5 ! C.792 at 9.62e+06 assign (resid 29 and name HB2 ) (resid 29 and name HE22 ) 2.5 0.7 3.5 ! C.790 at 4.76e+06 assign (resid 29 and name HB2 ) (resid 29 and name HE21 ) 2.5 0.7 3.5 ! C.788 at 7.55e+06 assign (resid 29 and name HA ) (resid 29 and name HE21 ) 2.5 0.7 3.5 ! C.784 at 2.95e+06 assign (resid 29 and name HA ) (resid 30 and name HN ) 2.5 0.7 3.5 ! A.1231 at 3.25e+07 assign (resid 29 and name HG1 ) (resid 30 and name HN ) 2.5 0.7 3.5 ! C.253 at 7.46e+06 assign (resid 29 and name HG1 ) (resid 31 and name HD1# ) 2.5 0.7 4.0 ! A.648 at 8.61e+06 assign (resid 29 and name HG2 ) (resid 31 and name HD1# ) 2.5 0.7 4.0 ! A.649 at 9.19e+06 assign (resid 29 and name HE21 ) (resid 31 and name HG11 ) 2.5 0.7 3.5 ! C.1144 at 2.36e+06 assign (resid 29 and name HE22 ) (resid 31 and name HD1# ) 2.5 0.7 4.0 ! C.791 at 1.34e+07 assign (resid 29 and name HE21 ) (resid 31 and name HD1# ) 2.5 0.7 4.0 ! C.789 at 1.61e+07 assign (resid 29 and name HG2 ) (resid 44 and name HA ) 2.5 0.7 3.5 ! A.144 at 1.54e+07 assign (resid 29 and name HB2 ) (resid 44 and name HA ) 2.5 0.7 3.5 ! A.145 at 6.68e+06 assign (resid 29 and name HA ) (resid 44 and name HB1 ) 2.5 0.7 3.5 ! A.142 at 3.25e+06 assign (resid 29 and name HE22 ) (resid 44 and name HB1 ) 2.5 0.7 3.5 ! C.793 at 2.06e+06 assign (resid 29 and name HE21 ) (resid 44 and name HB1 ) 2.5 0.7 3.5 ! C.786 at 3.84e+06 assign (resid 29 and name HA ) (resid 45 and name HB1 ) 2.5 0.7 3.5 ! A.168 at 1.07e+07 assign (resid 29 and name HA ) (resid 45 and name HN ) 2.5 0.7 3.5 ! A.1232 at 7.14e+06 assign (resid 29 and name HA ) (resid 51 and name HB ) 2.5 0.7 3.5 ! A.140 at 1.68e+07 assign (resid 29 and name HA ) (resid 51 and name HD1# ) 2.5 0.7 4.0 ! A.141 at 1.69e+07 assign (resid 30 and name HA ) (resid 30 and name HN ) 2.5 0.7 3.5 ! A.693 at 6.11e+06 assign (resid 30 and name HA ) (resid 30 and name HB1 ) 2.5 0.7 3.5 ! A.135 at 1.42e+07 assign (resid 30 and name HA ) (resid 30 and name HD1# ) 2.5 0.7 4.0 ! A.695 at 4.35e+07 assign (resid 30 and name HA ) (resid 30 and name HB2 ) 2.5 0.7 3.5 ! A.694 at 1.62e+07 assign (resid 30 and name HB1 ) (resid 30 and name HN ) 2.5 0.7 3.5 ! A.1617 at 9.87e+06 assign (resid 30 and name HB2 ) (resid 30 and name HN ) 2.5 0.7 3.5 ! A.1500 at 7.42e+06 assign (resid 30 and name HB2 ) (resid 30 and name HB1 ) 2.5 0.7 3.5 ! A.1498 at 5.43e+07 assign (resid 30 and name HB2 ) (resid 30 and name HD1# ) 2.5 0.7 4.0 ! A.1496 at 5.19e+07 assign (resid 30 and name HB1 ) (resid 30 and name HD1# ) 2.5 0.7 4.0 ! A.1495 at 3.84e+07 assign (resid 30 and name HG ) (resid 30 and name HD1# ) 2.5 0.7 4.0 ! A.1830 at 7.38e+07 assign (resid 30 and name HG ) (resid 30 and name HN ) 2.5 0.7 3.5 ! A.1887 at 3.50e+06 assign (resid 30 and name HG ) (resid 30 and name HB1 ) 2.5 0.7 3.5 ! A.1886 at 3.34e+07 assign (resid 30 and name HD2# ) (resid 30 and name HB1 ) 2.5 0.7 4.0 ! A.1339 at 6.39e+07 assign (resid 30 and name HD2# ) (resid 30 and name HA ) 2.5 0.7 4.0 ! A.1337 at 6.64e+06 assign (resid 30 and name HD1# ) (resid 30 and name HN ) 2.5 0.7 4.0 ! C.252 at 3.14e+07 assign (resid 30 and name HA ) (resid 31 and name HN ) 2.5 0.7 3.5 ! A.692 at 4.19e+07 assign (resid 30 and name HD1# ) (resid 31 and name HN ) 2.5 0.7 4.0 ! A.1889 at 1.80e+07 assign (resid 30 and name HN ) (resid 31 and name HN ) 2.5 0.7 3.5 ! C.954 at 6.66e+06 assign (resid 30 and name HD1# ) (resid 32 and name HN ) 2.5 0.7 4.0 ! C.911 at 3.19e+07 assign (resid 30 and name HD2# ) (resid 43 and name HG12 ) 2.5 0.7 4.0 ! A.1747 at 4.78e+06 assign (resid 30 and name HD1# ) (resid 43 and name HN ) 2.5 0.7 4.0 ! A.1890 at 7.86e+06 assign (resid 30 and name HN ) (resid 44 and name HA ) 2.5 0.7 3.5 ! A.524 at 5.17e+06 assign (resid 30 and name HN ) (resid 45 and name HN ) 2.5 0.7 3.5 ! C.903 at 2.20e+06 assign (resid 30 and name HN ) (resid 51 and name HD1# ) 2.5 0.7 4.0 ! A.903 at 1.05e+07 assign (resid 30 and name HD2# ) (resid 55 and name HD# ) 2.5 0.7 4.0 ! A.2018 at 4.47e+06 assign (resid 31 and name HA ) (resid 31 and name HN ) 2.5 0.7 3.5 ! A.857 at 7.50e+06 assign (resid 31 and name HA ) (resid 31 and name HG2# ) 2.5 0.7 4.0 ! A.846 at 3.99e+07 assign (resid 31 and name HA ) (resid 31 and name HG11 ) 2.5 0.7 3.5 ! A.848 at 1.55e+07 assign (resid 31 and name HA ) (resid 31 and name HG12 ) 2.5 0.7 3.5 ! A.853 at 1.12e+07 assign (resid 31 and name HB ) (resid 31 and name HN ) 2.5 0.7 3.5 ! A.305 at 1.85e+07 assign (resid 31 and name HB ) (resid 31 and name HG11 ) 2.5 0.7 3.5 ! A.1098 at 2.01e+07 assign (resid 31 and name HB ) (resid 31 and name HG2# ) 2.5 0.7 4.0 ! A.1097 at 4.53e+07 assign (resid 31 and name HG12 ) (resid 31 and name HG11 ) 2.5 0.7 3.5 ! A.1978 at 6.15e+07 assign (resid 31 and name HG11 ) (resid 31 and name HN ) 2.5 0.7 3.5 ! A.1356 at 1.06e+07 assign (resid 31 and name HG12 ) (resid 31 and name HN ) 2.5 0.7 3.5 ! A.1921 at 3.63e+06 assign (resid 31 and name HD1# ) (resid 31 and name HG11 ) 2.5 0.7 4.0 ! A.2070 at 6.89e+07 assign (resid 31 and name HD1# ) (resid 31 and name HN ) 2.5 0.7 4.0 ! C.681 at 4.15e+07 assign (resid 31 and name HA ) (resid 32 and name HN ) 2.5 0.7 3.5 ! A.851 at 4.39e+07 assign (resid 31 and name HG11 ) (resid 32 and name HN ) 2.5 0.7 3.5 ! C.913 at 6.63e+06 assign (resid 31 and name HN ) (resid 32 and name HN ) 2.5 0.7 3.5 ! C.1148 at 3.31e+06 assign (resid 31 and name HG12 ) (resid 43 and name HN ) 2.5 0.7 3.5 ! A.1925 at 2.86e+06 assign (resid 31 and name HA ) (resid 43 and name HN ) 2.5 0.7 3.5 ! C.215 at 6.08e+07 assign (resid 31 and name HG2# ) (resid 43 and name HN ) 2.5 0.7 4.0 ! C.218 at 3.46e+07 assign (resid 32 and name HA ) (resid 32 and name HN ) 2.5 0.7 3.5 ! A.84 at 6.59e+06 assign (resid 32 and name HA ) (resid 32 and name HG2# ) 2.5 0.7 4.0 ! A.133 at 5.22e+07 assign (resid 32 and name HA ) (resid 32 and name HB ) 2.5 0.7 3.5 ! A.132 at 2.17e+07 assign (resid 32 and name HA ) (resid 32 and name HD1# ) 2.5 0.7 4.0 ! A.845 at 5.29e+06 assign (resid 32 and name HB ) (resid 32 and name HN ) 2.5 0.7 3.5 ! A.770 at 1.38e+07 assign (resid 32 and name HB ) (resid 32 and name HG2# ) 2.5 0.7 4.0 ! A.1538 at 3.53e+07 assign (resid 32 and name HG12 ) (resid 32 and name HD1# ) 2.5 0.7 4.0 ! A.778 at 1.97e+07 assign (resid 32 and name HG11 ) (resid 32 and name HN ) 2.5 0.7 3.5 ! A.771 at 8.40e+06 assign (resid 32 and name HG12 ) (resid 32 and name HG11 ) 2.5 0.7 3.5 ! A.1912 at 4.46e+07 assign (resid 32 and name HG11 ) (resid 32 and name HA ) 2.5 0.7 3.5 ! A.772 at 6.46e+06 assign (resid 32 and name HG11 ) (resid 32 and name HD1# ) 2.5 0.7 4.0 ! A.775 at 2.32e+07 assign (resid 32 and name HG11 ) (resid 32 and name HG2# ) 2.5 0.7 4.0 ! A.776 at 6.67e+07 assign (resid 32 and name HG12 ) (resid 32 and name HA ) 2.5 0.7 3.5 ! A.773 at 5.36e+06 assign (resid 32 and name HG2# ) (resid 32 and name HD1# ) 2.5 0.7 4.5 ! A.1084 at 8.15e+07 assign (resid 32 and name HD1# ) (resid 32 and name HN ) 2.5 0.7 4.0 ! A.1749 at 7.20e+06 assign (resid 32 and name HA ) (resid 33 and name HN ) 2.5 0.7 3.5 ! A.20 at 3.92e+07 assign (resid 32 and name HG2# ) (resid 33 and name HN ) 2.5 0.7 4.0 ! A.130 at 1.84e+07 assign (resid 32 and name HG12 ) (resid 33 and name HN ) 2.5 0.7 3.5 ! C.854 at 3.74e+07 assign (resid 32 and name HN ) (resid 33 and name HN ) 2.5 0.7 3.5 ! C.949 at 2.53e+06 assign (resid 32 and name HB ) (resid 34 and name HG2# ) 2.5 0.7 4.0 ! A.606 at 8.47e+06 assign (resid 32 and name HG12 ) (resid 34 and name HG2# ) 2.5 0.7 4.0 ! A.1082 at 1.80e+07 assign (resid 32 and name HG11 ) (resid 34 and name HN ) 2.5 0.7 3.5 ! C.194 at 8.88e+06 assign (resid 32 and name HG12 ) (resid 34 and name HN ) 2.5 0.7 3.5 ! C.1059 at 3.41e+06 assign (resid 32 and name HD1# ) (resid 41 and name HB2 ) 2.5 0.7 4.0 ! A.1107 at 3.24e+06 assign (resid 32 and name HB ) (resid 41 and name HB1 ) 2.5 0.7 3.5 ! A.768 at 8.64e+06 assign (resid 32 and name HB ) (resid 41 and name HB2 ) 2.5 0.7 3.5 ! A.769 at 5.05e+06 assign (resid 32 and name HG2# ) (resid 41 and name HB2 ) 2.5 0.7 4.0 ! A.2022 at 1.96e+07 assign (resid 32 and name HG2# ) (resid 41 and name HB1 ) 2.5 0.7 4.0 ! A.2023 at 9.47e+06 assign (resid 32 and name HD1# ) (resid 41 and name HB1 ) 2.5 0.7 4.0 ! A.1712 at 1.03e+07 assign (resid 32 and name HD1# ) (resid 41 and name HD# ) 2.5 0.7 4.0 ! A.456 at 7.10e+06 assign (resid 32 and name HG2# ) (resid 41 and name HD# ) 2.5 0.7 4.0 ! B.26 at 2.75e+06 assign (resid 32 and name HN ) (resid 41 and name HB1 ) 2.5 0.7 3.5 ! C.916 at 5.65e+06 assign (resid 32 and name HN ) (resid 41 and name HB2 ) 2.5 0.7 3.5 ! C.915 at 3.89e+06 assign (resid 32 and name HD1# ) (resid 41 and name HN ) 2.5 0.7 4.0 ! C.622 at 2.94e+06 assign (resid 32 and name HG2# ) (resid 51 and name HA ) 2.5 0.7 4.0 ! A.476 at 4.87e+07 assign (resid 32 and name HD1# ) (resid 55 and name HE# ) 2.5 0.7 4.0 ! A.455 at 2.49e+07 assign (resid 32 and name HD1# ) (resid 59 and name HD# ) 2.5 0.7 4.0 ! A.1157 at 1.08e+07 assign (resid 32 and name HG2# ) (resid 59 and name HD# ) 2.5 0.7 4.0 ! B.49 at 6.12e+06 assign (resid 32 and name HG2# ) (resid 73 and name HE# ) 2.5 0.7 4.0 ! A.450 at 2.45e+07 assign (resid 32 and name HG12 ) (resid 73 and name HD# ) 2.5 0.7 3.5 ! B.40 at 1.84e+06 assign (resid 32 and name HD1# ) (resid 73 and name HE# ) 2.5 0.7 4.0 ! B.144 at 2.51e+06 assign (resid 33 and name HA ) (resid 33 and name HG2 ) 2.5 0.7 3.5 ! A.1069 at 2.15e+07 assign (resid 33 and name HA ) (resid 33 and name HN ) 2.5 0.7 3.5 ! A.1064 at 8.23e+06 assign (resid 33 and name HD1 ) (resid 33 and name HA ) 2.5 0.7 3.5 ! A.1625 at 3.58e+06 assign (resid 33 and name HD1 ) (resid 33 and name HG2 ) 2.5 0.7 3.5 ! A.1633 at 3.93e+07 assign (resid 33 and name HD2 ) (resid 33 and name HG2 ) 2.5 0.7 3.5 ! A.1634 at 3.81e+07 assign (resid 33 and name HD1 ) (resid 33 and name HB1 ) 2.5 0.7 3.5 ! A.1629 at 1.27e+07 assign (resid 33 and name HD2 ) (resid 33 and name HA ) 2.5 0.7 3.5 ! A.1628 at 3.60e+06 assign (resid 33 and name HD2 ) (resid 33 and name HB2 ) 2.5 0.7 3.5 ! A.1632 at 1.25e+07 assign (resid 33 and name HD1 ) (resid 33 and name HB2 ) 2.5 0.7 3.5 ! A.1631 at 1.31e+07 assign (resid 33 and name HB1 ) (resid 33 and name HN ) 2.5 0.7 3.5 ! A.536 at 1.20e+07 assign (resid 33 and name HB2 ) (resid 33 and name HA ) 2.5 0.7 3.5 ! A.912 at 1.17e+07 assign (resid 33 and name HB2 ) (resid 33 and name HN ) 2.5 0.7 3.5 ! A.535 at 1.35e+07 assign (resid 33 and name HB1 ) (resid 33 and name HD2 ) 2.5 0.7 3.5 ! A.917 at 1.08e+07 assign (resid 33 and name HG1 ) (resid 33 and name HN ) 2.5 0.7 3.5 ! A.1744 at 3.72e+06 assign (resid 33 and name HD2 ) (resid 33 and name HN ) 2.5 0.7 3.5 ! C.857 at 4.23e+06 assign (resid 33 and name HG2 ) (resid 33 and name HN ) 2.5 0.7 3.5 ! C.170 at 1.18e+07 assign (resid 33 and name HA ) (resid 34 and name HN ) 2.5 0.7 3.5 ! A.1065 at 4.04e+07 assign (resid 33 and name HA ) (resid 34 and name HG2# ) 2.5 0.7 4.0 ! A.1068 at 5.03e+06 assign (resid 33 and name HA ) (resid 35 and name HN ) 2.5 0.7 3.5 ! A.1066 at 3.64e+06 assign (resid 33 and name HB1 ) (resid 35 and name HN ) 2.5 0.7 3.5 ! C.672 at 3.39e+06 assign (resid 33 and name HD1 ) (resid 36 and name HA ) 2.5 0.7 3.5 ! A.1434 at 8.16e+06 assign (resid 33 and name HD2 ) (resid 39 and name HN ) 2.5 0.7 3.5 ! C.457 at 2.48e+06 assign (resid 33 and name HA ) (resid 40 and name HG2 ) 2.5 0.7 3.5 ! A.664 at 2.40e+07 assign (resid 33 and name HA ) (resid 40 and name HA ) 2.5 0.7 3.5 ! A.88 at 1.89e+07 assign (resid 33 and name HA ) (resid 41 and name HN ) 2.5 0.7 3.5 ! A.1067 at 4.33e+06 assign (resid 34 and name HA ) (resid 34 and name HN ) 2.5 0.7 3.5 ! A.2 at 9.09e+06 assign (resid 34 and name HA ) (resid 34 and name HG2# ) 2.5 0.7 4.0 ! A.7 at 2.44e+07 assign (resid 34 and name HA ) (resid 34 and name HG1# ) 2.5 0.7 4.0 ! A.6 at 2.64e+07 assign (resid 34 and name HA ) (resid 34 and name HB ) 2.5 0.7 3.5 ! A.8 at 1.14e+07 assign (resid 34 and name HB ) (resid 34 and name HN ) 2.5 0.7 3.5 ! A.1062 at 1.50e+07 assign (resid 34 and name HB ) (resid 34 and name HG2# ) 2.5 0.7 4.0 ! A.1115 at 2.26e+07 assign (resid 34 and name HB ) (resid 34 and name HG1# ) 2.5 0.7 4.0 ! A.1114 at 2.62e+07 assign (resid 34 and name HG1# ) (resid 34 and name HN ) 2.5 0.7 4.0 ! A.1071 at 4.67e+06 assign (resid 34 and name HG2# ) (resid 34 and name HN ) 2.5 0.7 4.0 ! A.110 at 2.69e+07 assign (resid 34 and name HG2# ) (resid 34 and name HG1# ) 2.5 0.7 4.5 ! A.108 at 7.28e+07 assign (resid 34 and name HA ) (resid 35 and name HN ) 2.5 0.7 3.5 ! A.3 at 6.53e+06 assign (resid 34 and name HB ) (resid 35 and name HN ) 2.5 0.7 3.5 ! A.1063 at 9.36e+06 assign (resid 34 and name HG2# ) (resid 35 and name HN ) 2.5 0.7 4.0 ! A.605 at 3.48e+06 assign (resid 34 and name HN ) (resid 35 and name HN ) 2.5 0.7 3.5 ! C.187 at 2.32e+07 assign (resid 34 and name HN ) (resid 35 and name HA ) 2.5 0.7 3.5 ! C.199 at 2.64e+06 assign (resid 34 and name HG1# ) (resid 35 and name HD22 ) 2.5 0.7 4.0 ! C.746 at 3.73e+06 assign (resid 34 and name HG1# ) (resid 35 and name HD21 ) 2.5 0.7 4.0 ! C.741 at 4.85e+06 assign (resid 34 and name HG1# ) (resid 35 and name HN ) 2.5 0.7 4.0 ! C.882 at 1.19e+07 assign (resid 34 and name HG1# ) (resid 39 and name HA ) 2.5 0.7 4.0 ! A.2061 at 2.94e+06 assign (resid 34 and name HG2# ) (resid 39 and name HA ) 2.5 0.7 4.0 ! A.2062 at 2.50e+06 assign (resid 34 and name HG1# ) (resid 39 and name HB1 ) 2.5 0.7 4.0 ! A.989 at 4.77e+06 assign (resid 34 and name HG2# ) (resid 39 and name HB1 ) 2.5 0.7 4.0 ! A.1568 at 2.33e+06 assign (resid 34 and name HB ) (resid 39 and name HB1 ) 2.5 0.7 3.5 ! A.988 at 1.25e+07 assign (resid 34 and name HB ) (resid 39 and name HB2 ) 2.5 0.7 3.5 ! A.1571 at 1.18e+07 assign (resid 34 and name HG2# ) (resid 39 and name HB2 ) 2.5 0.7 4.0 ! A.1569 at 3.25e+06 assign (resid 34 and name HG1# ) (resid 39 and name HB2 ) 2.5 0.7 4.0 ! A.1570 at 4.81e+06 assign (resid 34 and name HG1# ) (resid 39 and name HN ) 2.5 0.7 4.0 ! A.1278 at 3.53e+06 assign (resid 34 and name HN ) (resid 39 and name HB1 ) 2.5 0.7 3.5 ! C.193 at 5.00e+06 assign (resid 34 and name HG2# ) (resid 39 and name HN ) 2.5 0.7 4.0 ! C.456 at 2.72e+06 assign (resid 34 and name HB ) (resid 39 and name HN ) 2.5 0.7 3.5 ! C.454 at 6.38e+06 assign (resid 34 and name HG2# ) (resid 40 and name HA ) 2.5 0.7 4.0 ! A.1429 at 1.15e+07 assign (resid 34 and name HN ) (resid 40 and name HA ) 2.5 0.7 3.5 ! A.18 at 1.62e+07 assign (resid 34 and name HG2# ) (resid 40 and name HN ) 2.5 0.7 4.0 ! C.935 at 3.64e+06 assign (resid 34 and name HG2# ) (resid 41 and name HB1 ) 2.5 0.7 4.0 ! A.1106 at 5.38e+06 assign (resid 34 and name HG2# ) (resid 41 and name HB2 ) 2.5 0.7 4.0 ! A.1105 at 1.03e+07 assign (resid 34 and name HG2# ) (resid 41 and name HA ) 2.5 0.7 4.0 ! A.109 at 9.55e+06 assign (resid 34 and name HG2# ) (resid 41 and name HN ) 2.5 0.7 4.0 ! A.1073 at 1.10e+07 assign (resid 34 and name HG1# ) (resid 41 and name HB1 ) 2.5 0.7 4.0 ! A.115 at 1.95e+07 assign (resid 34 and name HG2# ) (resid 41 and name HD# ) 2.5 0.7 4.0 ! B.116 at 2.53e+06 assign (resid 34 and name HN ) (resid 41 and name HN ) 2.5 0.7 3.5 ! C.196 at 4.26e+06 assign (resid 34 and name HG2# ) (resid 59 and name HD# ) 2.5 0.7 4.0 ! B.50 at 2.72e+06 assign (resid 34 and name HG1# ) (resid 70 and name HG2 ) 2.5 0.7 4.0 ! A.1734 at 1.06e+07 assign (resid 34 and name HG1# ) (resid 73 and name HB2 ) 2.5 0.7 4.0 ! A.1562 at 1.05e+07 assign (resid 34 and name HG1# ) (resid 73 and name HB1 ) 2.5 0.7 4.0 ! A.1560 at 1.24e+07 assign (resid 34 and name HG2# ) (resid 73 and name HE# ) 2.5 0.7 4.0 ! A.1735 at 3.40e+06 assign (resid 34 and name HG2# ) (resid 73 and name HD# ) 2.5 0.7 4.0 ! A.449 at 3.47e+06 assign (resid 34 and name HG1# ) (resid 73 and name HD# ) 2.5 0.7 4.0 ! A.448 at 6.39e+06 assign (resid 35 and name HA ) (resid 35 and name HB1 ) 2.5 0.7 3.5 ! A.591 at 3.49e+07 assign (resid 35 and name HA ) (resid 35 and name HN ) 2.5 0.7 3.5 ! A.593 at 1.27e+07 assign (resid 35 and name HA ) (resid 35 and name HB2 ) 2.5 0.7 3.5 ! A.592 at 3.61e+07 assign (resid 35 and name HB2 ) (resid 35 and name HD22 ) 2.5 0.7 3.5 ! A.1078 at 5.83e+06 assign (resid 35 and name HB1 ) (resid 35 and name HD22 ) 2.5 0.7 3.5 ! A.1077 at 3.39e+06 assign (resid 35 and name HB1 ) (resid 35 and name HD21 ) 2.5 0.7 3.5 ! A.1075 at 8.93e+06 assign (resid 35 and name HB2 ) (resid 35 and name HD21 ) 2.5 0.7 3.5 ! A.1076 at 1.39e+07 assign (resid 35 and name HD22 ) (resid 35 and name HD21 ) 2.5 0.7 3.5 ! C.906 at 1.12e+08 assign (resid 35 and name HA ) (resid 35 and name HD22 ) 2.5 0.7 3.5 ! C.736 at 3.37e+06 assign (resid 35 and name HA ) (resid 35 and name HD21 ) 2.5 0.7 3.5 ! C.743 at 4.92e+06 assign (resid 35 and name HB2 ) (resid 35 and name HN ) 2.5 0.7 3.5 ! C.671 at 9.37e+06 assign (resid 35 and name HB1 ) (resid 36 and name HD21 ) 2.5 0.7 3.5 ! C.1091 at 2.08e+06 assign (resid 35 and name HA ) (resid 37 and name HN ) 2.5 0.7 3.5 ! C.515 at 7.12e+07 assign (resid 35 and name HB1 ) (resid 37 and name HN ) 2.5 0.7 3.5 ! C.519 at 7.14e+06 assign (resid 35 and name HB2 ) (resid 37 and name HN ) 2.5 0.7 3.5 ! C.520 at 5.83e+06 assign (resid 35 and name HD22 ) (resid 37 and name HB2 ) 2.5 0.7 3.5 ! C.738 at 4.07e+06 assign (resid 35 and name HD22 ) (resid 39 and name HB2 ) 2.5 0.7 3.5 ! A.987 at 4.50e+06 assign (resid 35 and name HD22 ) (resid 39 and name HB1 ) 2.5 0.7 3.5 ! A.986 at 3.37e+06 assign (resid 35 and name HD21 ) (resid 39 and name HB2 ) 2.5 0.7 3.5 ! C.742 at 7.57e+06 assign (resid 35 and name HN ) (resid 39 and name HB1 ) 2.5 0.7 3.5 ! C.676 at 1.27e+07 assign (resid 35 and name HN ) (resid 40 and name HA ) 2.5 0.7 3.5 ! C.677 at 2.72e+06 assign (resid 36 and name HB2 ) (resid 36 and name HA ) 2.5 0.7 3.5 ! A.1578 at 3.65e+07 assign (resid 36 and name HA ) (resid 36 and name HN ) 2.5 0.7 3.5 ! C.678 at 3.38e+06 assign (resid 36 and name HB2 ) (resid 36 and name HD21 ) 2.5 0.7 3.5 ! C.1014 at 2.66e+07 assign (resid 37 and name HA ) (resid 37 and name HB2 ) 2.5 0.7 3.5 ! A.1433 at 2.35e+07 assign (resid 37 and name HA ) (resid 37 and name HN ) 2.5 0.7 3.5 ! A.397 at 1.60e+07 assign (resid 37 and name HB1 ) (resid 37 and name HN ) 2.5 0.7 3.5 ! A.558 at 4.47e+06 assign (resid 37 and name HB2 ) (resid 37 and name HN ) 2.5 0.7 3.5 ! A.762 at 7.61e+06 assign (resid 37 and name HB1 ) (resid 37 and name HB2 ) 2.5 0.7 3.5 ! A.1647 at 1.11e+08 assign (resid 37 and name HB1 ) (resid 37 and name HA ) 2.5 0.7 3.5 ! A.164 at 2.29e+07 assign (resid 37 and name HA ) (resid 38 and name HN ) 2.5 0.7 3.5 ! A.398 at 5.13e+06 assign (resid 37 and name HA ) (resid 38 and name HA1 ) 2.5 0.7 3.5 ! A.89 at 4.47e+06 assign (resid 37 and name HA ) (resid 38 and name HA2 ) 2.5 0.7 3.5 ! A.90 at 3.90e+06 assign (resid 37 and name HN ) (resid 38 and name HA2 ) 2.5 0.7 3.5 ! C.521 at 2.76e+06 assign (resid 37 and name HB1 ) (resid 38 and name HN ) 2.5 0.7 3.5 ! C.108 at 6.16e+06 assign (resid 37 and name HN ) (resid 38 and name HN ) 2.5 0.7 3.5 ! C.1042 at 1.15e+07 assign (resid 37 and name HB2 ) (resid 38 and name HN ) 2.5 0.7 3.5 ! C.109 at 5.94e+06 assign (resid 38 and name HA2 ) (resid 38 and name HN ) 2.5 0.7 3.5 ! A.553 at 9.03e+06 assign (resid 38 and name HA1 ) (resid 38 and name HN ) 2.5 0.7 3.5 ! A.552 at 5.59e+06 assign (resid 38 and name HA2 ) (resid 38 and name HA1 ) 2.5 0.7 3.5 ! A.2002 at 1.00e+08 assign (resid 38 and name HA2 ) (resid 39 and name HN ) 2.5 0.7 3.5 ! A.557 at 5.08e+06 assign (resid 38 and name HA1 ) (resid 39 and name HN ) 2.5 0.7 3.5 ! A.556 at 5.10e+06 assign (resid 38 and name HN ) (resid 39 and name HN ) 2.5 0.7 3.5 ! C.1041 at 1.56e+07 assign (resid 39 and name HA ) (resid 39 and name HB1 ) 2.5 0.7 3.5 ! A.1436 at 3.93e+07 assign (resid 39 and name HA ) (resid 39 and name HN ) 2.5 0.7 3.5 ! A.560 at 9.51e+06 assign (resid 39 and name HB1 ) (resid 39 and name HN ) 2.5 0.7 3.5 ! A.979 at 2.02e+07 assign (resid 39 and name HB2 ) (resid 39 and name HN ) 2.5 0.7 3.5 ! A.980 at 1.77e+07 assign (resid 39 and name HB1 ) (resid 39 and name HD22 ) 2.5 0.7 3.5 ! A.981 at 7.55e+06 assign (resid 39 and name HB2 ) (resid 39 and name HA ) 2.5 0.7 3.5 ! A.1279 at 1.46e+07 assign (resid 39 and name HB2 ) (resid 39 and name HD22 ) 2.5 0.7 3.5 ! A.2088 at 9.59e+06 assign (resid 39 and name HB2 ) (resid 39 and name HD21 ) 2.5 0.7 3.5 ! C.1133 at 1.13e+07 assign (resid 39 and name HA ) (resid 40 and name HG1 ) 2.5 0.7 3.5 ! A.1435 at 5.19e+06 assign (resid 39 and name HA ) (resid 40 and name HN ) 2.5 0.7 3.5 ! A.559 at 6.39e+07 assign (resid 39 and name HB1 ) (resid 40 and name HN ) 2.5 0.7 3.5 ! C.268 at 1.84e+07 assign (resid 39 and name HN ) (resid 40 and name HN ) 2.5 0.7 3.5 ! C.450 at 1.23e+07 assign (resid 39 and name HB2 ) (resid 67 and name HD# ) 2.5 0.7 3.5 ! B.211 at 1.07e+06 assign (resid 39 and name HD22 ) (resid 70 and name HG2 ) 2.5 0.7 3.5 ! A.1851 at 3.15e+06 assign (resid 39 and name HD21 ) (resid 70 and name HG2 ) 2.5 0.7 3.5 ! C.1136 at 5.72e+06 assign (resid 40 and name HA ) (resid 40 and name HN ) 2.5 0.7 3.5 ! A.19 at 8.86e+06 assign (resid 40 and name HA ) (resid 40 and name HB2 ) 2.5 0.7 3.5 ! A.1427 at 2.53e+07 assign (resid 40 and name HA ) (resid 40 and name HG1 ) 2.5 0.7 3.5 ! A.1430 at 1.04e+07 assign (resid 40 and name HA ) (resid 40 and name HG2 ) 2.5 0.7 3.5 ! A.1426 at 1.97e+07 assign (resid 40 and name HG1 ) (resid 40 and name HN ) 2.5 0.7 3.5 ! A.654 at 4.87e+06 assign (resid 40 and name HG2 ) (resid 40 and name HN ) 2.5 0.7 3.5 ! A.660 at 3.80e+06 assign (resid 40 and name HG2 ) (resid 40 and name HG1 ) 2.5 0.7 3.5 ! A.661 at 6.72e+07 assign (resid 40 and name HB1 ) (resid 40 and name HN ) 2.5 0.7 3.5 ! A.1660 at 6.49e+06 assign (resid 40 and name HB2 ) (resid 40 and name HG1 ) 2.5 0.7 3.5 ! A.1583 at 1.20e+07 assign (resid 40 and name HB2 ) (resid 40 and name HN ) 2.5 0.7 3.5 ! A.1586 at 4.52e+06 assign (resid 40 and name HA ) (resid 41 and name HB1 ) 2.5 0.7 3.5 ! A.1431 at 2.63e+06 assign (resid 40 and name HA ) (resid 41 and name HB2 ) 2.5 0.7 3.5 ! A.1432 at 2.70e+06 assign (resid 40 and name HG2 ) (resid 41 and name HN ) 2.5 0.7 3.5 ! A.2089 at 2.58e+06 assign (resid 40 and name HB2 ) (resid 41 and name HN ) 2.5 0.7 3.5 ! A.1587 at 6.11e+06 assign (resid 40 and name HG1 ) (resid 41 and name HN ) 2.5 0.7 3.5 ! C.619 at 3.55e+06 assign (resid 40 and name HA ) (resid 41 and name HN ) 2.5 0.7 3.5 ! C.238 at 5.25e+07 assign (resid 40 and name HN ) (resid 41 and name HN ) 2.5 0.7 3.5 ! C.934 at 3.52e+06 assign (resid 40 and name HG2 ) (resid 42 and name HG2# ) 2.5 0.7 4.0 ! A.662 at 9.31e+06 assign (resid 41 and name HB1 ) (resid 41 and name HA ) 2.5 0.7 3.5 ! A.53 at 1.25e+07 assign (resid 41 and name HB2 ) (resid 41 and name HN ) 2.5 0.7 3.5 ! A.49 at 9.32e+06 assign (resid 41 and name HB2 ) (resid 41 and name HB1 ) 2.5 0.7 3.5 ! A.1103 at 4.36e+07 assign (resid 41 and name HB2 ) (resid 41 and name HA ) 2.5 0.7 3.5 ! A.54 at 1.16e+07 assign (resid 41 and name HB2 ) (resid 41 and name HD# ) 2.5 0.7 3.5 ! A.51 at 1.43e+07 assign (resid 41 and name HB1 ) (resid 41 and name HN ) 2.5 0.7 3.5 ! A.50 at 1.01e+07 assign (resid 41 and name HB1 ) (resid 41 and name HD# ) 2.5 0.7 3.5 ! A.52 at 1.03e+07 assign (resid 41 and name HD# ) (resid 41 and name HE# ) 2.5 0.7 3.5 ! B.157 at 2.66e+07 assign (resid 41 and name HD# ) (resid 41 and name HA ) 2.5 0.7 3.5 ! B.31 at 5.59e+06 assign (resid 41 and name HD# ) (resid 41 and name HN ) 2.5 0.7 3.5 ! B.190 at 2.56e+06 assign (resid 41 and name HA ) (resid 41 and name HN ) 2.5 0.7 3.5 ! C.235 at 1.77e+07 assign (resid 41 and name HA ) (resid 42 and name HG1# ) 2.5 0.7 4.0 ! A.666 at 9.47e+06 assign (resid 41 and name HA ) (resid 42 and name HB ) 2.5 0.7 3.5 ! A.665 at 8.03e+06 assign (resid 41 and name HB2 ) (resid 42 and name HN ) 2.5 0.7 3.5 ! A.1099 at 2.15e+06 assign (resid 41 and name HD# ) (resid 42 and name HA ) 2.5 0.7 3.5 ! B.128 at 1.62e+06 assign (resid 41 and name HD# ) (resid 42 and name HN ) 2.5 0.7 3.5 ! B.156 at 1.90e+06 assign (resid 41 and name HA ) (resid 42 and name HN ) 2.5 0.7 3.5 ! C.203 at 8.29e+07 assign (resid 41 and name HB1 ) (resid 42 and name HN ) 2.5 0.7 3.5 ! C.207 at 4.83e+06 assign (resid 41 and name HN ) (resid 42 and name HN ) 2.5 0.7 3.5 ! C.234 at 5.32e+06 assign (resid 41 and name HN ) (resid 42 and name HG2# ) 2.5 0.7 4.0 ! C.623 at 1.03e+07 assign (resid 41 and name HN ) (resid 42 and name HA ) 2.5 0.7 3.5 ! C.747 at 4.29e+06 assign (resid 41 and name HD# ) (resid 43 and name HG12 ) 2.5 0.7 3.5 ! A.1746 at 4.03e+06 assign (resid 41 and name HE# ) (resid 43 and name HG12 ) 2.5 0.7 3.5 ! A.1977 at 1.01e+07 assign (resid 41 and name HD# ) (resid 43 and name HD1# ) 2.5 0.7 4.0 ! A.119 at 6.41e+06 assign (resid 41 and name HD# ) (resid 43 and name HG11 ) 2.5 0.7 3.5 ! B.28 at 1.12e+07 assign (resid 41 and name HE# ) (resid 43 and name HA ) 2.5 0.7 3.5 ! B.120 at 1.48e+06 assign (resid 41 and name HE# ) (resid 43 and name HG11 ) 2.5 0.7 3.5 ! B.121 at 8.50e+06 assign (resid 41 and name HD# ) (resid 55 and name HE# ) 2.5 0.7 3.5 ! B.68 at 4.10e+06 assign (resid 41 and name HE# ) (resid 58 and name HB# ) 2.5 0.7 4.0 ! B.123 at 2.15e+06 assign (resid 41 and name HB2 ) (resid 59 and name HD# ) 2.5 0.7 3.5 ! A.1100 at 2.71e+06 assign (resid 41 and name HB1 ) (resid 59 and name HD# ) 2.5 0.7 3.5 ! A.1101 at 2.20e+06 assign (resid 41 and name HD# ) (resid 59 and name HD# ) 2.5 0.7 3.5 ! B.193 at 2.05e+06 assign (resid 41 and name HE# ) (resid 59 and name HD# ) 2.5 0.7 3.5 ! B.130 at 3.28e+06 assign (resid 41 and name HE# ) (resid 59 and name HA ) 2.5 0.7 3.5 ! B.119 at 4.24e+06 assign (resid 41 and name HD# ) (resid 73 and name HE# ) 2.5 0.7 3.5 ! B.192 at 4.71e+06 assign (resid 41 and name HE# ) (resid 74 and name HE# ) 2.5 0.7 3.5 ! B.179 at 3.45e+06 assign (resid 42 and name HB ) (resid 42 and name HN ) 2.5 0.7 3.5 ! A.1311 at 1.45e+07 assign (resid 42 and name HB ) (resid 42 and name HG2# ) 2.5 0.7 4.0 ! A.1590 at 5.01e+07 assign (resid 42 and name HG1# ) (resid 42 and name HB ) 2.5 0.7 4.0 ! A.285 at 1.28e+08 assign (resid 42 and name HG1# ) (resid 42 and name HA ) 2.5 0.7 4.0 ! A.339 at 4.61e+07 assign (resid 42 and name HG1# ) (resid 42 and name HN ) 2.5 0.7 4.0 ! A.838 at 2.33e+07 assign (resid 42 and name HG2# ) (resid 42 and name HA ) 2.5 0.7 4.0 ! A.1806 at 3.88e+07 assign (resid 42 and name HA ) (resid 42 and name HN ) 2.5 0.7 3.5 ! C.202 at 1.64e+07 assign (resid 42 and name HA ) (resid 43 and name HN ) 2.5 0.7 3.5 ! A.2030 at 2.99e+07 assign (resid 42 and name HN ) (resid 43 and name HN ) 2.5 0.7 3.5 ! C.200 at 5.56e+06 assign (resid 43 and name HA ) (resid 43 and name HN ) 2.5 0.7 3.5 ! A.1604 at 8.28e+06 assign (resid 43 and name HA ) (resid 43 and name HG2# ) 2.5 0.7 4.0 ! A.1397 at 3.35e+07 assign (resid 43 and name HA ) (resid 43 and name HG12 ) 2.5 0.7 3.5 ! A.1399 at 1.46e+07 assign (resid 43 and name HA ) (resid 43 and name HG11 ) 2.5 0.7 3.5 ! A.1400 at 2.26e+07 assign (resid 43 and name HB ) (resid 43 and name HN ) 2.5 0.7 3.5 ! A.1645 at 1.19e+07 assign (resid 43 and name HB ) (resid 43 and name HG2# ) 2.5 0.7 4.0 ! A.1544 at 3.40e+07 assign (resid 43 and name HB ) (resid 43 and name HA ) 2.5 0.7 3.5 ! A.1545 at 6.17e+06 assign (resid 43 and name HG11 ) (resid 43 and name HN ) 2.5 0.7 3.5 ! A.1996 at 7.18e+06 assign (resid 43 and name HG12 ) (resid 43 and name HG11 ) 2.5 0.7 3.5 ! A.1655 at 5.46e+07 assign (resid 43 and name HG2# ) (resid 43 and name HN ) 2.5 0.7 4.0 ! A.268 at 6.55e+06 assign (resid 43 and name HD1# ) (resid 43 and name HG11 ) 2.5 0.7 4.0 ! A.121 at 8.69e+07 assign (resid 43 and name HD1# ) (resid 43 and name HA ) 2.5 0.7 4.0 ! A.120 at 8.84e+06 assign (resid 43 and name HD1# ) (resid 43 and name HN ) 2.5 0.7 4.0 ! A.267 at 5.21e+06 assign (resid 43 and name HG12 ) (resid 43 and name HN ) 2.5 0.7 3.5 ! C.219 at 9.16e+06 assign (resid 43 and name HA ) (resid 44 and name HN ) 2.5 0.7 3.5 ! A.1602 at 4.57e+07 assign (resid 43 and name HA ) (resid 44 and name HA ) 2.5 0.7 3.5 ! A.1402 at 2.85e+06 assign (resid 43 and name HA ) (resid 44 and name HB2 ) 2.5 0.7 3.5 ! A.1603 at 3.45e+06 assign (resid 43 and name HG2# ) (resid 44 and name HA ) 2.5 0.7 4.0 ! A.1304 at 4.02e+06 assign (resid 43 and name HG2# ) (resid 44 and name HN ) 2.5 0.7 4.0 ! A.269 at 1.45e+07 assign (resid 43 and name HN ) (resid 44 and name HN ) 2.5 0.7 3.5 ! C.221 at 2.42e+06 assign (resid 43 and name HN ) (resid 44 and name HA ) 2.5 0.7 3.5 ! C.216 at 3.46e+06 assign (resid 43 and name HG11 ) (resid 44 and name HN ) 2.5 0.7 3.5 ! C.966 at 1.17e+07 assign (resid 43 and name HG12 ) (resid 44 and name HN ) 2.5 0.7 3.5 ! C.964 at 6.63e+06 assign (resid 43 and name HG2# ) (resid 54 and name HN ) 2.5 0.7 4.0 ! C.976 at 7.56e+06 assign (resid 43 and name HD1# ) (resid 55 and name HA ) 2.5 0.7 4.0 ! A.1295 at 2.10e+07 assign (resid 43 and name HD1# ) (resid 55 and name HB1 ) 2.5 0.7 4.0 ! A.1298 at 5.86e+06 assign (resid 43 and name HD1# ) (resid 55 and name HB2 ) 2.5 0.7 4.0 ! A.1299 at 1.04e+07 assign (resid 43 and name HD1# ) (resid 55 and name HD# ) 2.5 0.7 4.0 ! A.118 at 3.14e+07 assign (resid 43 and name HD1# ) (resid 55 and name HN ) 2.5 0.7 4.0 ! A.266 at 4.41e+06 assign (resid 43 and name HG2# ) (resid 55 and name HN ) 2.5 0.7 4.0 ! C.313 at 1.74e+07 assign (resid 44 and name HB1 ) (resid 44 and name HN ) 2.5 0.7 3.5 ! A.1306 at 6.34e+06 assign (resid 44 and name HB2 ) (resid 44 and name HN ) 2.5 0.7 3.5 ! A.1305 at 1.18e+07 assign (resid 44 and name HB2 ) (resid 44 and name HA ) 2.5 0.7 3.5 ! A.166 at 1.73e+07 assign (resid 44 and name HB1 ) (resid 44 and name HA ) 2.5 0.7 3.5 ! A.167 at 2.24e+07 assign (resid 44 and name HA ) (resid 44 and name HN ) 2.5 0.7 3.5 ! A.526 at 7.16e+06 assign (resid 44 and name HB1 ) (resid 45 and name HN ) 2.5 0.7 3.5 ! A.1308 at 7.05e+06 assign (resid 44 and name HB2 ) (resid 45 and name HN ) 2.5 0.7 3.5 ! A.1307 at 6.40e+06 assign (resid 44 and name HA ) (resid 45 and name HN ) 2.5 0.7 3.5 ! A.525 at 4.02e+07 assign (resid 44 and name HA ) (resid 45 and name HA ) 2.5 0.7 3.5 ! A.527 at 2.66e+06 assign (resid 44 and name HN ) (resid 45 and name HB1 ) 2.5 0.7 3.5 ! C.1147 at 3.02e+06 assign (resid 44 and name HA ) (resid 51 and name HD1# ) 2.5 0.7 4.0 ! A.146 at 1.31e+07 assign (resid 44 and name HN ) (resid 51 and name HD1# ) 2.5 0.7 4.0 ! C.962 at 9.37e+06 assign (resid 44 and name HN ) (resid 54 and name HD# ) 2.5 0.7 4.0 ! C.965 at 9.97e+06 assign (resid 44 and name HN ) (resid 54 and name HE2 ) 2.5 0.7 3.5 ! C.1146 at 2.64e+06 assign (resid 45 and name HA ) (resid 45 and name HN ) 2.5 0.7 3.5 ! A.417 at 3.93e+07 assign (resid 45 and name HA ) (resid 45 and name HB2 ) 2.5 0.7 3.5 ! A.2059 at 3.05e+07 assign (resid 45 and name HA ) (resid 45 and name HG2 ) 2.5 0.7 3.5 ! A.2060 at 1.31e+07 assign (resid 45 and name HG1 ) (resid 45 and name HA ) 2.5 0.7 3.5 ! A.644 at 9.38e+06 assign (resid 45 and name HG1 ) (resid 45 and name HN ) 2.5 0.7 3.5 ! C.259 at 1.64e+07 assign (resid 45 and name HB2 ) (resid 45 and name HN ) 2.5 0.7 3.5 ! C.260 at 7.81e+07 assign (resid 45 and name HA ) (resid 46 and name HN ) 2.5 0.7 3.5 ! C.40 at 3.47e+07 assign (resid 45 and name HG2 ) (resid 46 and name HN ) 2.5 0.7 3.5 ! C.38 at 7.37e+06 assign (resid 45 and name HB2 ) (resid 46 and name HN ) 2.5 0.7 3.5 ! C.39 at 9.24e+06 assign (resid 45 and name HG2 ) (resid 47 and name HA ) 2.5 0.7 3.5 ! A.481 at 1.72e+07 assign (resid 45 and name HN ) (resid 50 and name HN ) 2.5 0.7 3.5 ! C.932 at 3.04e+06 assign (resid 45 and name HN ) (resid 51 and name HD1# ) 2.5 0.7 4.0 ! A.275 at 1.38e+07 assign (resid 45 and name HN ) (resid 51 and name HG11 ) 2.5 0.7 3.5 ! C.261 at 1.16e+07 assign (resid 45 and name HA ) (resid 54 and name HD# ) 2.5 0.7 4.0 ! A.2058 at 1.45e+07 assign (resid 46 and name HB2 ) (resid 46 and name HN ) 2.5 0.7 3.5 ! A.596 at 3.85e+06 assign (resid 46 and name HB1 ) (resid 46 and name HN ) 2.5 0.7 3.5 ! A.595 at 4.37e+06 assign (resid 46 and name HB2 ) (resid 46 and name HA ) 2.5 0.7 3.5 ! A.598 at 2.40e+07 assign (resid 46 and name HB1 ) (resid 46 and name HA ) 2.5 0.7 3.5 ! A.597 at 2.32e+07 assign (resid 46 and name HA ) (resid 46 and name HN ) 2.5 0.7 3.5 ! A.462 at 8.10e+06 assign (resid 46 and name HA ) (resid 47 and name HA ) 2.5 0.7 3.5 ! A.160 at 2.64e+07 assign (resid 46 and name HB2 ) (resid 48 and name HN ) 2.5 0.7 3.5 ! C.1051 at 1.91e+06 assign (resid 46 and name HB1 ) (resid 49 and name HB2 ) 2.5 0.7 3.5 ! A.602 at 8.92e+06 assign (resid 47 and name HA ) (resid 48 and name HA ) 2.5 0.7 3.5 ! A.1613 at 6.05e+06 assign (resid 47 and name HA ) (resid 50 and name HA ) 2.5 0.7 3.5 ! A.1612 at 6.32e+06 assign (resid 48 and name HB# ) (resid 48 and name HD22 ) 2.5 0.7 4.0 ! A.1243 at 5.59e+06 assign (resid 48 and name HA ) (resid 48 and name HD21 ) 2.5 0.7 3.5 ! C.1013 at 8.94e+07 assign (resid 48 and name HA ) (resid 48 and name HN ) 2.5 0.7 3.5 ! C.1009 at 7.41e+06 assign (resid 48 and name HB# ) (resid 48 and name HN ) 2.5 0.7 4.0 ! C.1011 at 1.83e+06 assign (resid 49 and name HA ) (resid 49 and name HN ) 2.5 0.7 3.5 ! A.2099 at 5.30e+06 assign (resid 49 and name HA ) (resid 49 and name HG# ) 2.5 0.7 4.0 ! A.1445 at 3.17e+07 assign (resid 49 and name HA ) (resid 49 and name HB2 ) 2.5 0.7 3.5 ! A.1442 at 3.29e+07 assign (resid 49 and name HB1 ) (resid 49 and name HA ) 2.5 0.7 3.5 ! A.1312 at 1.36e+07 assign (resid 49 and name HB2 ) (resid 49 and name HG# ) 2.5 0.7 4.0 ! A.2028 at 2.84e+07 assign (resid 49 and name HG# ) (resid 49 and name HN ) 2.5 0.7 4.0 ! C.1056 at 2.41e+06 assign (resid 49 and name HB2 ) (resid 49 and name HN ) 2.5 0.7 3.5 ! C.1055 at 5.41e+06 assign (resid 49 and name HA ) (resid 50 and name HN ) 2.5 0.7 3.5 ! A.711 at 3.94e+07 assign (resid 49 and name HG# ) (resid 50 and name HN ) 2.5 0.7 4.0 ! A.1710 at 4.09e+06 assign (resid 49 and name HB2 ) (resid 50 and name HN ) 2.5 0.7 3.5 ! C.346 at 5.37e+06 assign (resid 49 and name HN ) (resid 50 and name HA ) 2.5 0.7 3.5 ! C.1054 at 4.56e+06 assign (resid 49 and name HA ) (resid 53 and name HG# ) 2.5 0.7 3.5 ! A.2077 at 3.60e+06 assign (resid 49 and name HA ) (resid 53 and name HB1 ) 2.5 0.7 3.5 ! A.1999 at 3.57e+06 assign (resid 50 and name HA ) (resid 50 and name HB# ) 2.5 0.7 4.0 ! A.1309 at 2.91e+07 assign (resid 50 and name HA ) (resid 50 and name HN ) 2.5 0.7 3.5 ! A.1310 at 3.73e+07 assign (resid 50 and name HB# ) (resid 50 and name HN ) 2.5 0.7 4.0 ! C.344 at 7.06e+06 assign (resid 50 and name HA ) (resid 51 and name HA ) 2.5 0.7 3.5 ! A.468 at 3.24e+06 assign (resid 50 and name HB# ) (resid 51 and name HN ) 2.5 0.7 4.0 ! C.415 at 4.21e+06 assign (resid 50 and name HA ) (resid 51 and name HN ) 2.5 0.7 3.5 ! C.416 at 1.44e+07 assign (resid 50 and name HN ) (resid 53 and name HG# ) 2.5 0.7 3.5 ! A.1709 at 3.60e+06 assign (resid 50 and name HN ) (resid 53 and name HB2 ) 2.5 0.7 3.5 ! A.1325 at 3.82e+06 assign (resid 50 and name HN ) (resid 53 and name HB1 ) 2.5 0.7 3.5 ! A.1328 at 6.41e+06 assign (resid 50 and name HA ) (resid 53 and name HN ) 2.5 0.7 3.5 ! C.566 at 7.70e+06 assign (resid 51 and name HA ) (resid 51 and name HN ) 2.5 0.7 3.5 ! A.477 at 1.37e+07 assign (resid 51 and name HB ) (resid 51 and name HN ) 2.5 0.7 3.5 ! A.1649 at 1.29e+07 assign (resid 51 and name HB ) (resid 51 and name HA ) 2.5 0.7 3.5 ! A.1650 at 6.78e+06 assign (resid 51 and name HG11 ) (resid 51 and name HN ) 2.5 0.7 3.5 ! A.276 at 1.03e+07 assign (resid 51 and name HG11 ) (resid 51 and name HG12 ) 2.5 0.7 3.5 ! A.710 at 7.32e+07 assign (resid 51 and name HG2# ) (resid 51 and name HB ) 2.5 0.7 4.0 ! A.1790 at 7.95e+07 assign (resid 51 and name HG2# ) (resid 51 and name HA ) 2.5 0.7 4.0 ! A.1789 at 3.77e+07 assign (resid 51 and name HD1# ) (resid 51 and name HN ) 2.5 0.7 4.0 ! A.274 at 1.10e+07 assign (resid 51 and name HB ) (resid 52 and name HN ) 2.5 0.7 3.5 ! A.1651 at 7.11e+06 assign (resid 51 and name HN ) (resid 52 and name HN ) 2.5 0.7 3.5 ! C.2 at 5.27e+06 assign (resid 51 and name HA ) (resid 54 and name HB2 ) 2.5 0.7 3.5 ! A.1593 at 5.62e+06 assign (resid 51 and name HA ) (resid 54 and name HN ) 2.5 0.7 3.5 ! C.971 at 1.09e+07 assign (resid 51 and name HG12 ) (resid 55 and name HB1 ) 2.5 0.7 3.5 ! A.1558 at 4.48e+06 assign (resid 51 and name HG2# ) (resid 55 and name HB2 ) 2.5 0.7 4.0 ! A.1988 at 4.19e+06 assign (resid 52 and name HA ) (resid 52 and name HN ) 2.5 0.7 3.5 ! A.1014 at 1.31e+07 assign (resid 52 and name HA ) (resid 52 and name HG2# ) 2.5 0.7 4.0 ! A.1015 at 6.44e+07 assign (resid 52 and name HA ) (resid 52 and name HB ) 2.5 0.7 3.5 ! A.169 at 1.71e+07 assign (resid 52 and name HB ) (resid 52 and name HG2# ) 2.5 0.7 4.0 ! A.624 at 6.76e+07 assign (resid 52 and name HB ) (resid 52 and name HN ) 2.5 0.7 3.5 ! A.611 at 1.67e+07 assign (resid 52 and name HG1# ) (resid 52 and name HN ) 2.5 0.7 4.0 ! A.1008 at 7.16e+06 assign (resid 52 and name HG1# ) (resid 52 and name HA ) 2.5 0.7 4.0 ! A.1929 at 4.24e+07 assign (resid 52 and name HG2# ) (resid 52 and name HN ) 2.5 0.7 4.0 ! C.615 at 6.77e+07 assign (resid 52 and name HA ) (resid 53 and name HN ) 2.5 0.7 3.5 ! A.1011 at 3.06e+06 assign (resid 52 and name HB ) (resid 53 and name HN ) 2.5 0.7 3.5 ! C.570 at 3.55e+07 assign (resid 52 and name HG1# ) (resid 53 and name HN ) 2.5 0.7 4.0 ! C.572 at 2.57e+07 assign (resid 52 and name HN ) (resid 53 and name HN ) 2.5 0.7 3.5 ! C.564 at 3.18e+07 assign (resid 52 and name HN ) (resid 54 and name HN ) 2.5 0.7 3.5 ! C.983 at 4.70e+06 assign (resid 52 and name HA ) (resid 55 and name HD# ) 2.5 0.7 3.5 ! A.1010 at 2.73e+06 assign (resid 52 and name HA ) (resid 55 and name HB2 ) 2.5 0.7 3.5 ! A.171 at 8.88e+06 assign (resid 52 and name HA ) (resid 55 and name HN ) 2.5 0.7 3.5 ! A.1013 at 6.89e+06 assign (resid 52 and name HA ) (resid 56 and name HN ) 2.5 0.7 3.5 ! A.1012 at 2.64e+06 assign (resid 52 and name HG1# ) (resid 81 and name HB ) 2.5 0.7 4.0 ! A.1341 at 1.93e+07 assign (resid 52 and name HN ) (resid 81 and name HA ) 2.5 0.7 3.5 ! C.616 at 4.81e+06 assign (resid 53 and name HA ) (resid 53 and name HN ) 2.5 0.7 3.5 ! A.1028 at 1.60e+07 assign (resid 53 and name HA ) (resid 53 and name HB1 ) 2.5 0.7 3.5 ! A.1414 at 7.81e+07 assign (resid 53 and name HG# ) (resid 53 and name HN ) 2.5 0.7 3.5 ! A.1703 at 1.71e+07 assign (resid 53 and name HB1 ) (resid 53 and name HN ) 2.5 0.7 3.5 ! A.1326 at 9.92e+06 assign (resid 53 and name HB1 ) (resid 54 and name HN ) 2.5 0.7 3.5 ! A.1327 at 4.70e+06 assign (resid 53 and name HN ) (resid 54 and name HN ) 2.5 0.7 3.5 ! C.980 at 2.19e+07 assign (resid 53 and name HN ) (resid 55 and name HN ) 2.5 0.7 3.5 ! C.309 at 2.87e+06 assign (resid 53 and name HA ) (resid 56 and name HG11 ) 2.5 0.7 3.5 ! A.1474 at 7.75e+07 assign (resid 53 and name HB1 ) (resid 56 and name HN ) 2.5 0.7 3.5 ! C.552 at 3.57e+06 assign (resid 53 and name HB1 ) (resid 57 and name HN ) 2.5 0.7 3.5 ! C.1018 at 2.98e+06 assign (resid 54 and name HA ) (resid 54 and name HN ) 2.5 0.7 3.5 ! A.1205 at 1.63e+07 assign (resid 54 and name HA ) (resid 54 and name HG2 ) 2.5 0.7 3.5 ! A.1207 at 2.89e+07 assign (resid 54 and name HA ) (resid 54 and name HE2 ) 2.5 0.7 3.5 ! A.1415 at 3.83e+06 assign (resid 54 and name HB1 ) (resid 54 and name HN ) 2.5 0.7 3.5 ! A.1210 at 1.04e+07 assign (resid 54 and name HB2 ) (resid 54 and name HE2 ) 2.5 0.7 3.5 ! A.1594 at 8.22e+06 assign (resid 54 and name HB2 ) (resid 54 and name HG2 ) 2.5 0.7 3.5 ! A.1214 at 1.73e+07 assign (resid 54 and name HB2 ) (resid 54 and name HN ) 2.5 0.7 3.5 ! A.1209 at 6.49e+06 assign (resid 54 and name HB2 ) (resid 54 and name HA ) 2.5 0.7 3.5 ! A.1217 at 1.51e+07 assign (resid 54 and name HB1 ) (resid 54 and name HE1 ) 2.5 0.7 3.5 ! A.1591 at 8.62e+06 assign (resid 54 and name HB1 ) (resid 54 and name HA ) 2.5 0.7 3.5 ! A.1216 at 1.11e+07 assign (resid 54 and name HB1 ) (resid 54 and name HG2 ) 2.5 0.7 3.5 ! A.1213 at 9.57e+06 assign (resid 54 and name HD# ) (resid 54 and name HA ) 2.5 0.7 4.0 ! A.1226 at 8.46e+06 assign (resid 54 and name HD# ) (resid 54 and name HE2 ) 2.5 0.7 4.0 ! A.1227 at 2.43e+07 assign (resid 54 and name HG1 ) (resid 54 and name HA ) 2.5 0.7 3.5 ! A.1220 at 1.07e+07 assign (resid 54 and name HG1 ) (resid 54 and name HE1 ) 2.5 0.7 3.5 ! A.1221 at 9.92e+06 assign (resid 54 and name HG2 ) (resid 54 and name HE2 ) 2.5 0.7 3.5 ! A.1222 at 8.66e+06 assign (resid 54 and name HG2 ) (resid 54 and name HN ) 2.5 0.7 3.5 ! A.1218 at 3.94e+06 assign (resid 54 and name HG1 ) (resid 54 and name HN ) 2.5 0.7 3.5 ! A.1219 at 9.03e+06 assign (resid 54 and name HA ) (resid 55 and name HN ) 2.5 0.7 3.5 ! A.1610 at 4.73e+06 assign (resid 54 and name HB2 ) (resid 55 and name HN ) 2.5 0.7 3.5 ! C.968 at 1.80e+07 assign (resid 54 and name HB1 ) (resid 55 and name HN ) 2.5 0.7 3.5 ! C.312 at 2.37e+07 assign (resid 54 and name HN ) (resid 55 and name HN ) 2.5 0.7 3.5 ! C.982 at 2.58e+07 assign (resid 54 and name HG1 ) (resid 57 and name HB1 ) 2.5 0.7 3.5 ! A.1461 at 1.52e+07 assign (resid 54 and name HA ) (resid 57 and name HN ) 2.5 0.7 3.5 ! A.1206 at 6.38e+06 assign (resid 54 and name HG1 ) (resid 57 and name HN ) 2.5 0.7 3.5 ! C.1020 at 5.27e+06 assign (resid 55 and name HA ) (resid 55 and name HB2 ) 2.5 0.7 3.5 ! A.1294 at 2.39e+07 assign (resid 55 and name HA ) (resid 55 and name HN ) 2.5 0.7 3.5 ! A.1601 at 1.48e+07 assign (resid 55 and name HA ) (resid 55 and name HD# ) 2.5 0.7 3.5 ! A.1600 at 1.20e+07 assign (resid 55 and name HB2 ) (resid 55 and name HN ) 2.5 0.7 3.5 ! A.1987 at 1.58e+07 assign (resid 55 and name HB1 ) (resid 55 and name HN ) 2.5 0.7 3.5 ! A.1360 at 1.49e+07 assign (resid 55 and name HB1 ) (resid 55 and name HA ) 2.5 0.7 3.5 ! A.1554 at 1.08e+07 assign (resid 55 and name HB2 ) (resid 55 and name HD# ) 2.5 0.7 3.5 ! A.446 at 1.89e+07 assign (resid 55 and name HB1 ) (resid 55 and name HD# ) 2.5 0.7 3.5 ! A.447 at 1.59e+07 assign (resid 55 and name HB1 ) (resid 55 and name HB2 ) 2.5 0.7 3.5 ! A.1556 at 3.88e+07 assign (resid 55 and name HD# ) (resid 55 and name HN ) 2.5 0.7 3.5 ! B.168 at 1.33e+06 assign (resid 55 and name HE# ) (resid 55 and name HB2 ) 2.5 0.7 3.5 ! B.208 at 1.05e+06 assign (resid 55 and name HE# ) (resid 55 and name HB1 ) 2.5 0.7 3.5 ! B.73 at 1.42e+06 assign (resid 55 and name HB2 ) (resid 56 and name HA ) 2.5 0.7 3.5 ! A.945 at 5.91e+06 assign (resid 55 and name HD# ) (resid 56 and name HA ) 2.5 0.7 3.5 ! A.509 at 1.12e+07 assign (resid 55 and name HB2 ) (resid 56 and name HN ) 2.5 0.7 3.5 ! A.1979 at 5.63e+06 assign (resid 55 and name HB1 ) (resid 56 and name HN ) 2.5 0.7 3.5 ! A.1359 at 9.55e+06 assign (resid 55 and name HB1 ) (resid 56 and name HG11 ) 2.5 0.7 3.5 ! A.1557 at 3.97e+06 assign (resid 55 and name HD# ) (resid 56 and name HG12 ) 2.5 0.7 3.5 ! A.717 at 4.42e+06 assign (resid 55 and name HD# ) (resid 56 and name HG11 ) 2.5 0.7 3.5 ! A.718 at 5.50e+06 assign (resid 55 and name HD# ) (resid 56 and name HD1# ) 2.5 0.7 4.0 ! A.725 at 9.20e+06 assign (resid 55 and name HD# ) (resid 56 and name HN ) 2.5 0.7 3.5 ! B.167 at 1.56e+06 assign (resid 55 and name HN ) (resid 56 and name HN ) 2.5 0.7 3.5 ! C.303 at 3.94e+07 assign (resid 55 and name HA ) (resid 56 and name HN ) 2.5 0.7 3.5 ! C.544 at 2.46e+07 assign (resid 55 and name HN ) (resid 57 and name HN ) 2.5 0.7 3.5 ! C.308 at 2.69e+06 assign (resid 55 and name HD# ) (resid 59 and name HN ) 2.5 0.7 3.5 ! C.907 at 3.84e+06 assign (resid 55 and name HE# ) (resid 77 and name HA ) 2.5 0.7 3.5 ! A.421 at 4.14e+06 assign (resid 55 and name HE# ) (resid 77 and name HB2 ) 2.5 0.7 3.5 ! A.243 at 2.25e+06 assign (resid 55 and name HE# ) (resid 77 and name HB1 ) 2.5 0.7 3.5 ! B.71 at 2.54e+06 assign (resid 55 and name HE# ) (resid 80 and name HB ) 2.5 0.7 3.5 ! A.1322 at 7.41e+06 assign (resid 55 and name HE# ) (resid 80 and name HN ) 2.5 0.7 3.5 ! C.942 at 5.53e+06 assign (resid 55 and name HE# ) (resid 81 and name HG2# ) 2.5 0.7 4.0 ! A.507 at 3.04e+07 assign (resid 55 and name HD# ) (resid 81 and name HG2# ) 2.5 0.7 4.0 ! B.89 at 2.96e+06 assign (resid 55 and name HE# ) (resid 81 and name HN ) 2.5 0.7 3.5 ! C.881 at 8.46e+06 assign (resid 56 and name HA ) (resid 56 and name HB ) 2.5 0.7 3.5 ! A.510 at 4.06e+07 assign (resid 56 and name HA ) (resid 56 and name HD1# ) 2.5 0.7 4.0 ! A.512 at 5.62e+07 assign (resid 56 and name HA ) (resid 56 and name HN ) 2.5 0.7 3.5 ! A.508 at 1.22e+07 assign (resid 56 and name HB ) (resid 56 and name HN ) 2.5 0.7 3.5 ! A.1235 at 1.77e+07 assign (resid 56 and name HG11 ) (resid 56 and name HD1# ) 2.5 0.7 4.0 ! A.721 at 5.24e+07 assign (resid 56 and name HG11 ) (resid 56 and name HA ) 2.5 0.7 3.5 ! A.720 at 1.52e+07 assign (resid 56 and name HG11 ) (resid 56 and name HN ) 2.5 0.7 3.5 ! A.716 at 1.31e+07 assign (resid 56 and name HG12 ) (resid 56 and name HD1# ) 2.5 0.7 4.0 ! A.722 at 4.97e+07 assign (resid 56 and name HG12 ) (resid 56 and name HN ) 2.5 0.7 3.5 ! A.715 at 8.27e+06 assign (resid 56 and name HG12 ) (resid 56 and name HA ) 2.5 0.7 3.5 ! A.719 at 1.36e+07 assign (resid 56 and name HG2# ) (resid 56 and name HN ) 2.5 0.7 4.0 ! A.1329 at 8.06e+06 assign (resid 56 and name HG2# ) (resid 56 and name HB ) 2.5 0.7 4.0 ! A.1773 at 1.35e+08 assign (resid 56 and name HG2# ) (resid 56 and name HA ) 2.5 0.7 4.0 ! A.1770 at 4.39e+07 assign (resid 56 and name HD1# ) (resid 56 and name HN ) 2.5 0.7 4.0 ! A.726 at 9.29e+06 assign (resid 56 and name HG2# ) (resid 57 and name HA ) 2.5 0.7 4.0 ! A.1392 at 1.12e+07 assign (resid 56 and name HB ) (resid 57 and name HN ) 2.5 0.7 3.5 ! A.1236 at 1.22e+07 assign (resid 56 and name HG2# ) (resid 57 and name HN ) 2.5 0.7 4.0 ! A.1330 at 4.45e+06 assign (resid 56 and name HN ) (resid 57 and name HN ) 2.5 0.7 3.5 ! C.541 at 2.25e+07 assign (resid 56 and name HA ) (resid 57 and name HN ) 2.5 0.7 3.5 ! C.1016 at 1.06e+07 assign (resid 56 and name HG12 ) (resid 57 and name HN ) 2.5 0.7 3.5 ! C.1021 at 6.41e+06 assign (resid 56 and name HA ) (resid 59 and name HN ) 2.5 0.7 3.5 ! C.720 at 8.36e+06 assign (resid 56 and name HG2# ) (resid 60 and name HN ) 2.5 0.7 4.0 ! C.426 at 7.57e+06 assign (resid 56 and name HA ) (resid 78 and name HB2 ) 2.5 0.7 3.5 ! A.938 at 3.99e+06 assign (resid 56 and name HA ) (resid 78 and name HB1 ) 2.5 0.7 3.5 ! A.941 at 2.14e+06 assign (resid 56 and name HD1# ) (resid 78 and name HA ) 2.5 0.7 4.0 ! A.724 at 4.46e+07 assign (resid 56 and name HG2# ) (resid 81 and name HG2# ) 2.5 0.7 4.5 ! A.513 at 4.78e+07 assign (resid 56 and name HD1# ) (resid 81 and name HB ) 2.5 0.7 4.0 ! A.728 at 1.15e+07 assign (resid 57 and name HB2 ) (resid 57 and name HN ) 2.5 0.7 3.5 ! A.1156 at 1.96e+07 assign (resid 57 and name HB1 ) (resid 57 and name HN ) 2.5 0.7 3.5 ! A.1154 at 2.12e+07 assign (resid 57 and name HA ) (resid 57 and name HN ) 2.5 0.7 3.5 ! A.1599 at 2.05e+07 assign (resid 57 and name HB1 ) (resid 58 and name HB# ) 2.5 0.7 4.0 ! A.1463 at 1.16e+07 assign (resid 57 and name HA ) (resid 60 and name HB# ) 2.5 0.7 4.0 ! A.1390 at 8.87e+06 assign (resid 57 and name HA ) (resid 60 and name HE# ) 2.5 0.7 4.0 ! A.1391 at 1.01e+07 assign (resid 57 and name HA ) (resid 60 and name HG2 ) 2.5 0.7 3.5 ! A.1393 at 3.68e+06 assign (resid 57 and name HA ) (resid 60 and name HG1 ) 2.5 0.7 3.5 ! A.1389 at 2.10e+07 assign (resid 58 and name HA ) (resid 58 and name HN ) 2.5 0.7 3.5 ! A.10 at 2.18e+07 assign (resid 58 and name HA ) (resid 58 and name HB# ) 2.5 0.7 4.0 ! A.9 at 7.49e+07 assign (resid 58 and name HB# ) (resid 58 and name HN ) 2.5 0.7 4.0 ! A.237 at 5.35e+07 assign (resid 58 and name HB# ) (resid 59 and name HA ) 2.5 0.7 4.0 ! A.1237 at 1.21e+07 assign (resid 58 and name HA ) (resid 59 and name HN ) 2.5 0.7 3.5 ! A.11 at 5.53e+06 assign (resid 58 and name HB# ) (resid 59 and name HN ) 2.5 0.7 4.0 ! A.236 at 1.58e+07 assign (resid 58 and name HN ) (resid 59 and name HN ) 2.5 0.7 3.5 ! C.347 at 3.28e+07 assign (resid 58 and name HA ) (resid 60 and name HN ) 2.5 0.7 3.5 ! C.420 at 8.43e+06 assign (resid 58 and name HB# ) (resid 60 and name HN ) 2.5 0.7 4.0 ! C.427 at 3.61e+06 assign (resid 59 and name HA ) (resid 59 and name HB1 ) 2.5 0.7 3.5 ! A.1046 at 1.65e+07 assign (resid 59 and name HA ) (resid 59 and name HB2 ) 2.5 0.7 3.5 ! A.1044 at 1.28e+07 assign (resid 59 and name HB2 ) (resid 59 and name HN ) 2.5 0.7 3.5 ! A.304 at 7.45e+06 assign (resid 59 and name HB2 ) (resid 59 and name HB1 ) 2.5 0.7 3.5 ! A.380 at 2.98e+07 assign (resid 59 and name HD# ) (resid 59 and name HB1 ) 2.5 0.7 3.5 ! B.46 at 1.96e+06 assign (resid 59 and name HA ) (resid 59 and name HN ) 2.5 0.7 3.5 ! C.723 at 1.57e+07 assign (resid 59 and name HB1 ) (resid 59 and name HN ) 2.5 0.7 3.5 ! C.719 at 1.52e+07 assign (resid 59 and name HB1 ) (resid 60 and name HA ) 2.5 0.7 3.5 ! A.1818 at 1.54e+07 assign (resid 59 and name HA ) (resid 60 and name HN ) 2.5 0.7 3.5 ! C.419 at 7.33e+06 assign (resid 59 and name HN ) (resid 60 and name HN ) 2.5 0.7 3.5 ! C.155 at 4.37e+07 assign (resid 59 and name HB1 ) (resid 60 and name HN ) 2.5 0.7 3.5 ! C.422 at 4.09e+06 assign (resid 59 and name HN ) (resid 60 and name HB# ) 2.5 0.7 4.0 ! C.718 at 8.94e+06 assign (resid 59 and name HN ) (resid 60 and name HA ) 2.5 0.7 3.5 ! C.722 at 3.14e+06 assign (resid 59 and name HA ) (resid 61 and name HD21 ) 2.5 0.7 3.5 ! C.1117 at 3.98e+07 assign (resid 59 and name HB1 ) (resid 62 and name HA1 ) 2.5 0.7 3.5 ! A.1619 at 5.48e+06 assign (resid 59 and name HB1 ) (resid 62 and name HA2 ) 2.5 0.7 3.5 ! A.1487 at 8.21e+06 assign (resid 59 and name HB1 ) (resid 62 and name HN ) 2.5 0.7 3.5 ! C.1039 at 1.74e+07 assign (resid 59 and name HA ) (resid 63 and name HN ) 2.5 0.7 3.5 ! C.481 at 4.12e+06 assign (resid 59 and name HA ) (resid 74 and name HD# ) 2.5 0.7 3.5 ! B.100 at 3.03e+06 assign (resid 59 and name HA ) (resid 74 and name HE# ) 2.5 0.7 3.5 ! B.209 at 5.58e+06 assign (resid 59 and name HN ) (resid 81 and name HG2# ) 2.5 0.7 4.0 ! C.717 at 1.01e+07 assign (resid 60 and name HA ) (resid 60 and name HE# ) 2.5 0.7 4.0 ! A.1229 at 3.90e+06 assign (resid 60 and name HA ) (resid 60 and name HN ) 2.5 0.7 3.5 ! A.320 at 4.30e+07 assign (resid 60 and name HA ) (resid 60 and name HB# ) 2.5 0.7 4.0 ! A.314 at 9.31e+07 assign (resid 60 and name HG2 ) (resid 60 and name HN ) 2.5 0.7 3.5 ! A.1247 at 6.43e+06 assign (resid 60 and name HG1 ) (resid 60 and name HN ) 2.5 0.7 3.5 ! A.1246 at 1.02e+07 assign (resid 60 and name HE# ) (resid 60 and name HN ) 2.5 0.7 4.0 ! C.944 at 2.41e+06 assign (resid 60 and name HB# ) (resid 60 and name HN ) 2.5 0.7 4.0 ! C.423 at 6.86e+07 assign (resid 60 and name HA ) (resid 61 and name HN ) 2.5 0.7 3.5 ! C.989 at 8.31e+06 assign (resid 60 and name HG2 ) (resid 61 and name HN ) 2.5 0.7 3.5 ! C.995 at 1.86e+07 assign (resid 60 and name HB# ) (resid 61 and name HN ) 2.5 0.7 4.0 ! C.993 at 1.57e+07 assign (resid 60 and name HG1 ) (resid 61 and name HN ) 2.5 0.7 3.5 ! C.994 at 2.12e+07 assign (resid 60 and name HN ) (resid 62 and name HA2 ) 2.5 0.7 3.5 ! C.421 at 6.69e+06 assign (resid 61 and name HB2 ) (resid 61 and name HA ) 2.5 0.7 3.5 ! A.2065 at 1.11e+07 assign (resid 61 and name HB1 ) (resid 61 and name HA ) 2.5 0.7 3.5 ! A.1990 at 2.17e+07 assign (resid 61 and name HB2 ) (resid 61 and name HN ) 2.5 0.7 3.5 ! A.984 at 1.32e+07 assign (resid 61 and name HA ) (resid 61 and name HN ) 2.5 0.7 3.5 ! C.988 at 2.35e+07 assign (resid 61 and name HB1 ) (resid 61 and name HN ) 2.5 0.7 3.5 ! C.991 at 2.53e+07 assign (resid 61 and name HA ) (resid 61 and name HD21 ) 2.5 0.7 3.5 ! C.1118 at 4.52e+06 assign (resid 61 and name HB2 ) (resid 61 and name HD21 ) 2.5 0.7 3.5 ! C.1114 at 1.78e+07 assign (resid 61 and name HN ) (resid 62 and name HN ) 2.5 0.7 3.5 ! C.997 at 3.18e+07 assign (resid 61 and name HA ) (resid 62 and name HN ) 2.5 0.7 3.5 ! C.63 at 1.24e+07 assign (resid 61 and name HB1 ) (resid 62 and name HN ) 2.5 0.7 3.5 ! C.1038 at 5.13e+06 assign (resid 62 and name HA2 ) (resid 62 and name HN ) 2.5 0.7 3.5 ! A.549 at 1.57e+07 assign (resid 62 and name HA1 ) (resid 62 and name HA2 ) 2.5 0.7 3.5 ! A.137 at 5.68e+07 assign (resid 62 and name HA1 ) (resid 62 and name HN ) 2.5 0.7 3.5 ! A.548 at 1.17e+07 assign (resid 62 and name HA2 ) (resid 63 and name HN ) 2.5 0.7 3.5 ! A.551 at 1.03e+07 assign (resid 62 and name HA1 ) (resid 63 and name HN ) 2.5 0.7 3.5 ! A.550 at 1.51e+07 assign (resid 62 and name HN ) (resid 63 and name HN ) 2.5 0.7 3.5 ! C.56 at 8.62e+06 assign (resid 63 and name HA ) (resid 63 and name HD1 ) 2.5 0.7 3.5 ! A.71 at 1.09e+07 assign (resid 63 and name HA ) (resid 63 and name HN ) 2.5 0.7 3.5 ! A.67 at 6.13e+06 assign (resid 63 and name HB2 ) (resid 63 and name HE3 ) 2.5 0.7 3.5 ! A.16 at 5.90e+06 assign (resid 63 and name HB1 ) (resid 63 and name HE3 ) 2.5 0.7 3.5 ! A.15 at 1.18e+07 assign (resid 63 and name HB1 ) (resid 63 and name HN ) 2.5 0.7 3.5 ! A.72 at 9.40e+06 assign (resid 63 and name HB2 ) (resid 63 and name HA ) 2.5 0.7 3.5 ! A.75 at 6.17e+06 assign (resid 63 and name HB2 ) (resid 63 and name HN ) 2.5 0.7 3.5 ! A.73 at 1.12e+07 assign (resid 63 and name HB1 ) (resid 63 and name HB2 ) 2.5 0.7 3.5 ! A.1596 at 3.01e+07 assign (resid 63 and name HB1 ) (resid 63 and name HA ) 2.5 0.7 3.5 ! A.74 at 4.31e+06 assign (resid 63 and name HH2 ) (resid 63 and name HZ2 ) 2.5 0.7 3.5 ! B.149 at 1.31e+07 assign (resid 63 and name HH2 ) (resid 63 and name HE3 ) 2.5 0.7 3.5 ! B.173 at 2.16e+06 assign (resid 63 and name HD1 ) (resid 63 and name HE1 ) 2.5 0.7 3.5 ! B.80 at 7.37e+06 assign (resid 63 and name HZ3 ) (resid 63 and name HE3 ) 2.5 0.7 3.5 ! B.174 at 1.05e+07 assign (resid 63 and name HZ2 ) (resid 63 and name HE1 ) 2.5 0.7 3.5 ! B.81 at 3.19e+06 assign (resid 63 and name HH2 ) (resid 63 and name HE1 ) 2.5 0.7 3.5 ! C.726 at 3.49e+06 assign (resid 63 and name HA ) (resid 63 and name HE1 ) 2.5 0.7 3.5 ! C.728 at 6.23e+06 assign (resid 63 and name HA ) (resid 64 and name HN ) 2.5 0.7 3.5 ! A.68 at 2.11e+07 assign (resid 63 and name HD1 ) (resid 64 and name HN ) 2.5 0.7 3.5 ! B.112 at 6.72e+06 assign (resid 63 and name HE1 ) (resid 64 and name HN ) 2.5 0.7 3.5 ! C.748 at 1.74e+06 assign (resid 63 and name HN ) (resid 64 and name HA ) 2.5 0.7 3.5 ! C.54 at 4.11e+07 assign (resid 63 and name HH2 ) (resid 65 and name HA ) 2.5 0.7 3.5 ! B.172 at 1.12e+06 assign (resid 63 and name HZ3 ) (resid 65 and name HA ) 2.5 0.7 3.5 ! B.176 at 1.29e+06 assign (resid 63 and name HZ3 ) (resid 65 and name HG2 ) 2.5 0.7 3.5 ! B.175 at 2.25e+06 assign (resid 63 and name HE1 ) (resid 65 and name HA ) 2.5 0.7 3.5 ! C.749 at 2.13e+06 assign (resid 63 and name HE3 ) (resid 66 and name HB1 ) 2.5 0.7 3.5 ! B.177 at 2.67e+06 assign (resid 63 and name HE1 ) (resid 66 and name HB1 ) 2.5 0.7 3.5 ! C.729 at 4.62e+06 assign (resid 63 and name HE1 ) (resid 67 and name HN ) 2.5 0.7 3.5 ! C.629 at 1.57e+07 assign (resid 63 and name HZ2 ) (resid 68 and name HA ) 2.5 0.7 3.5 ! A.1239 at 3.87e+07 assign (resid 63 and name HH2 ) (resid 68 and name HA ) 2.5 0.7 3.5 ! A.1240 at 1.14e+07 assign (resid 63 and name HH2 ) (resid 68 and name HG1 ) 2.5 0.7 3.5 ! A.1244 at 2.44e+06 assign (resid 63 and name HH2 ) (resid 68 and name HG2 ) 2.5 0.7 3.5 ! A.1245 at 2.69e+06 assign (resid 63 and name HZ2 ) (resid 68 and name HB# ) 2.5 0.7 4.0 ! B.137 at 1.99e+06 assign (resid 63 and name HZ2 ) (resid 68 and name HG1 ) 2.5 0.7 3.5 ! B.136 at 1.97e+06 assign (resid 63 and name HD1 ) (resid 70 and name HA ) 2.5 0.7 3.5 ! B.113 at 1.62e+06 assign (resid 63 and name HE1 ) (resid 70 and name HB2 ) 2.5 0.7 3.5 ! C.731 at 1.02e+07 assign (resid 63 and name HD1 ) (resid 71 and name HA ) 2.5 0.7 3.5 ! A.213 at 3.89e+06 assign (resid 63 and name HA ) (resid 71 and name HA ) 2.5 0.7 3.5 ! A.1406 at 2.24e+06 assign (resid 63 and name HB2 ) (resid 71 and name HA ) 2.5 0.7 3.5 ! A.212 at 7.05e+06 assign (resid 63 and name HB2 ) (resid 71 and name HG2 ) 2.5 0.7 3.5 ! A.1579 at 3.04e+06 assign (resid 63 and name HB1 ) (resid 71 and name HG2 ) 2.5 0.7 3.5 ! A.1580 at 3.09e+06 assign (resid 63 and name HE1 ) (resid 71 and name HA ) 2.5 0.7 3.5 ! C.730 at 3.37e+06 assign (resid 63 and name HA ) (resid 74 and name HD# ) 2.5 0.7 3.5 ! A.66 at 9.07e+06 assign (resid 63 and name HA ) (resid 74 and name HB2 ) 2.5 0.7 3.5 ! A.70 at 1.40e+07 assign (resid 63 and name HA ) (resid 74 and name HB1 ) 2.5 0.7 3.5 ! A.69 at 1.50e+07 assign (resid 63 and name HD1 ) (resid 74 and name HB1 ) 2.5 0.7 3.5 ! A.489 at 3.06e+06 assign (resid 63 and name HB2 ) (resid 74 and name HB2 ) 2.5 0.7 3.5 ! A.76 at 3.37e+06 assign (resid 63 and name HD1 ) (resid 74 and name HD# ) 2.5 0.7 3.5 ! B.98 at 2.91e+06 assign (resid 63 and name HD1 ) (resid 74 and name HB2 ) 2.5 0.7 3.5 ! B.12 at 2.78e+06 assign (resid 63 and name HE1 ) (resid 74 and name HB1 ) 2.5 0.7 3.5 ! C.732 at 3.26e+06 assign (resid 63 and name HN ) (resid 74 and name HB2 ) 2.5 0.7 3.5 ! C.478 at 7.80e+06 assign (resid 63 and name HA ) (resid 74 and name HN ) 2.5 0.7 3.5 ! C.580 at 3.45e+06 assign (resid 64 and name HA ) (resid 64 and name HD21 ) 2.5 0.7 3.5 ! A.61 at 3.68e+06 assign (resid 64 and name HA ) (resid 64 and name HN ) 2.5 0.7 3.5 ! A.60 at 9.42e+06 assign (resid 64 and name HA ) (resid 64 and name HB2 ) 2.5 0.7 3.5 ! A.64 at 3.90e+07 assign (resid 64 and name HA ) (resid 64 and name HB1 ) 2.5 0.7 3.5 ! A.63 at 3.95e+07 assign (resid 64 and name HB2 ) (resid 64 and name HD22 ) 2.5 0.7 3.5 ! A.1058 at 4.25e+06 assign (resid 64 and name HB1 ) (resid 64 and name HN ) 2.5 0.7 3.5 ! A.1056 at 2.42e+06 assign (resid 64 and name HB1 ) (resid 64 and name HB2 ) 2.5 0.7 3.5 ! A.1060 at 4.95e+07 assign (resid 64 and name HB1 ) (resid 64 and name HD22 ) 2.5 0.7 3.5 ! A.1057 at 3.79e+06 assign (resid 64 and name HB1 ) (resid 64 and name HD21 ) 2.5 0.7 3.5 ! A.1054 at 7.93e+06 assign (resid 64 and name HB2 ) (resid 64 and name HN ) 2.5 0.7 3.5 ! A.1055 at 3.34e+06 assign (resid 64 and name HB2 ) (resid 64 and name HD21 ) 2.5 0.7 3.5 ! C.712 at 1.47e+07 assign (resid 64 and name HN ) (resid 65 and name HA ) 2.5 0.7 3.5 ! C.230 at 2.86e+06 assign (resid 64 and name HB1 ) (resid 66 and name HG1 ) 2.5 0.7 3.5 ! A.1692 at 3.12e+06 assign (resid 64 and name HD22 ) (resid 66 and name HB1 ) 2.5 0.7 3.5 ! A.1168 at 3.28e+06 assign (resid 64 and name HD22 ) (resid 66 and name HB2 ) 2.5 0.7 3.5 ! A.2068 at 4.02e+06 assign (resid 64 and name HN ) (resid 66 and name HB2 ) 2.5 0.7 3.5 ! C.229 at 3.32e+06 assign (resid 64 and name HD21 ) (resid 66 and name HB2 ) 2.5 0.7 3.5 ! C.713 at 5.93e+06 assign (resid 64 and name HN ) (resid 74 and name HD# ) 2.5 0.7 3.5 ! B.99 at 2.24e+06 assign (resid 64 and name HN ) (resid 74 and name HE# ) 2.5 0.7 3.5 ! B.106 at 1.33e+06 assign (resid 65 and name HA ) (resid 65 and name HG1 ) 2.5 0.7 3.5 ! A.1854 at 1.19e+07 assign (resid 65 and name HG1 ) (resid 65 and name HE21 ) 2.5 0.7 3.5 ! A.33 at 3.50e+06 assign (resid 65 and name HG2 ) (resid 65 and name HE21 ) 2.5 0.7 3.5 ! A.32 at 4.18e+06 assign (resid 65 and name HG2 ) (resid 65 and name HA ) 2.5 0.7 3.5 ! A.37 at 1.17e+07 assign (resid 65 and name HB2 ) (resid 65 and name HA ) 2.5 0.7 3.5 ! A.814 at 1.48e+07 assign (resid 65 and name HB1 ) (resid 65 and name HA ) 2.5 0.7 3.5 ! A.1856 at 8.39e+06 assign (resid 65 and name HE21 ) (resid 65 and name HE22 ) 2.5 0.7 3.5 ! C.1142 at 2.39e+08 assign (resid 65 and name HG1 ) (resid 65 and name HE22 ) 2.5 0.7 3.5 ! C.1140 at 5.39e+06 assign (resid 65 and name HA ) (resid 65 and name HE21 ) 2.5 0.7 3.5 ! C.1124 at 2.15e+06 assign (resid 66 and name HA ) (resid 66 and name HN ) 2.5 0.7 3.5 ! A.1609 at 1.62e+07 assign (resid 66 and name HA ) (resid 66 and name HB1 ) 2.5 0.7 3.5 ! A.1404 at 5.01e+07 assign (resid 66 and name HG2 ) (resid 66 and name HN ) 2.5 0.7 3.5 ! A.1281 at 2.20e+06 assign (resid 66 and name HG1 ) (resid 66 and name HN ) 2.5 0.7 3.5 ! A.1280 at 3.33e+06 assign (resid 66 and name HG2 ) (resid 66 and name HA ) 2.5 0.7 3.5 ! A.204 at 9.45e+06 assign (resid 66 and name HG1 ) (resid 66 and name HA ) 2.5 0.7 3.5 ! A.203 at 1.18e+07 assign (resid 66 and name HG2 ) (resid 66 and name HG1 ) 2.5 0.7 3.5 ! A.2074 at 1.81e+07 assign (resid 66 and name HB1 ) (resid 66 and name HN ) 2.5 0.7 3.5 ! A.1170 at 6.99e+06 assign (resid 66 and name HB2 ) (resid 66 and name HN ) 2.5 0.7 3.5 ! A.1169 at 1.04e+07 assign (resid 66 and name HB2 ) (resid 66 and name HA ) 2.5 0.7 3.5 ! A.1282 at 1.73e+07 assign (resid 66 and name HA ) (resid 67 and name HN ) 2.5 0.7 3.5 ! A.1611 at 3.42e+06 assign (resid 66 and name HB1 ) (resid 67 and name HN ) 2.5 0.7 3.5 ! A.1172 at 4.74e+06 assign (resid 66 and name HB2 ) (resid 67 and name HN ) 2.5 0.7 3.5 ! A.1171 at 3.95e+06 assign (resid 66 and name HB1 ) (resid 67 and name HD# ) 2.5 0.7 3.5 ! B.4 at 4.16e+06 assign (resid 66 and name HN ) (resid 67 and name HN ) 2.5 0.7 3.5 ! C.484 at 9.22e+06 assign (resid 66 and name HG2 ) (resid 70 and name HN ) 2.5 0.7 3.5 ! C.591 at 4.32e+06 assign (resid 67 and name HA ) (resid 67 and name HE# ) 2.5 0.7 3.5 ! A.836 at 2.52e+06 assign (resid 67 and name HA ) (resid 67 and name HN ) 2.5 0.7 3.5 ! A.826 at 6.40e+06 assign (resid 67 and name HA ) (resid 67 and name HD# ) 2.5 0.7 3.5 ! A.837 at 1.60e+07 assign (resid 67 and name HA ) (resid 67 and name HB1 ) 2.5 0.7 3.5 ! A.829 at 1.78e+07 assign (resid 67 and name HA ) (resid 67 and name HB2 ) 2.5 0.7 3.5 ! A.830 at 1.18e+07 assign (resid 67 and name HB2 ) (resid 67 and name HN ) 2.5 0.7 3.5 ! A.973 at 2.88e+06 assign (resid 67 and name HB2 ) (resid 67 and name HD# ) 2.5 0.7 3.5 ! A.969 at 7.65e+06 assign (resid 67 and name HB1 ) (resid 67 and name HD# ) 2.5 0.7 3.5 ! A.974 at 1.09e+07 assign (resid 67 and name HB1 ) (resid 67 and name HN ) 2.5 0.7 3.5 ! A.972 at 4.47e+06 assign (resid 67 and name HB2 ) (resid 67 and name HB1 ) 2.5 0.7 3.5 ! A.971 at 4.80e+07 assign (resid 67 and name HD# ) (resid 67 and name HN ) 2.5 0.7 3.5 ! B.161 at 2.34e+06 assign (resid 67 and name HD# ) (resid 67 and name HE# ) 2.5 0.7 3.5 ! B.139 at 3.41e+07 assign (resid 67 and name HD1 ) (resid 67 and name HN ) 2.5 0.7 3.5 ! C.94 at 3.12e+06 assign (resid 67 and name HE1 ) (resid 67 and name HN ) 2.5 0.7 3.5 ! C.95 at 2.52e+06 assign (resid 67 and name HA ) (resid 68 and name HN ) 2.5 0.7 3.5 ! A.827 at 1.07e+07 assign (resid 67 and name HB1 ) (resid 68 and name HB# ) 2.5 0.7 4.0 ! A.977 at 2.88e+06 assign (resid 67 and name HA ) (resid 69 and name HN ) 2.5 0.7 3.5 ! C.692 at 3.65e+06 assign (resid 67 and name HB1 ) (resid 69 and name HN ) 2.5 0.7 3.5 ! C.690 at 6.42e+06 assign (resid 67 and name HB1 ) (resid 70 and name HG1 ) 2.5 0.7 3.5 ! A.1835 at 3.51e+06 assign (resid 68 and name HA ) (resid 68 and name HB# ) 2.5 0.7 4.0 ! A.1412 at 5.56e+07 assign (resid 68 and name HA ) (resid 68 and name HG2 ) 2.5 0.7 3.5 ! A.1411 at 2.25e+07 assign (resid 68 and name HA ) (resid 68 and name HN ) 2.5 0.7 3.5 ! A.1241 at 3.37e+06 assign (resid 68 and name HG1 ) (resid 68 and name HA ) 2.5 0.7 3.5 ! A.1965 at 8.38e+06 assign (resid 68 and name HB# ) (resid 68 and name HN ) 2.5 0.7 4.0 ! A.1324 at 5.46e+06 assign (resid 68 and name HG1 ) (resid 68 and name HN ) 2.5 0.7 3.5 ! C.918 at 3.09e+06 assign (resid 68 and name HA ) (resid 69 and name HB# ) 2.5 0.7 4.0 ! A.1413 at 2.61e+06 assign (resid 68 and name HA ) (resid 69 and name HA ) 2.5 0.7 3.5 ! A.1846 at 4.12e+06 assign (resid 68 and name HB# ) (resid 69 and name HN ) 2.5 0.7 4.0 ! C.689 at 2.15e+07 assign (resid 68 and name HG1 ) (resid 69 and name HN ) 2.5 0.7 3.5 ! C.693 at 8.55e+06 assign (resid 68 and name HA ) (resid 69 and name HN ) 2.5 0.7 3.5 ! C.691 at 7.11e+06 assign (resid 68 and name HA ) (resid 70 and name HN ) 2.5 0.7 3.5 ! C.587 at 4.44e+06 assign (resid 68 and name HB# ) (resid 70 and name HN ) 2.5 0.7 4.0 ! C.590 at 1.26e+07 assign (resid 68 and name HA ) (resid 71 and name HB1 ) 2.5 0.7 3.5 ! A.1472 at 4.66e+06 assign (resid 68 and name HA ) (resid 71 and name HB2 ) 2.5 0.7 3.5 ! A.195 at 2.20e+06 assign (resid 68 and name HA ) (resid 71 and name HN ) 2.5 0.7 3.5 ! C.283 at 4.60e+06 assign (resid 69 and name HB1 ) (resid 69 and name HA ) 2.5 0.7 3.5 ! A.2094 at 3.37e+07 assign (resid 69 and name HB2 ) (resid 69 and name HA ) 2.5 0.7 3.5 ! A.2095 at 2.77e+07 assign (resid 69 and name HB# ) (resid 69 and name HN ) 2.5 0.7 4.0 ! A.2093 at 3.86e+06 assign (resid 69 and name HB1 ) (resid 69 and name HN ) 2.5 0.7 3.5 ! A.2096 at 3.36e+06 assign (resid 69 and name HN ) (resid 70 and name HN ) 2.5 0.7 3.5 ! C.583 at 1.40e+07 assign (resid 70 and name HA ) (resid 70 and name HG2 ) 2.5 0.7 3.5 ! A.1117 at 1.72e+07 assign (resid 70 and name HA ) (resid 70 and name HN ) 2.5 0.7 3.5 ! A.1049 at 6.84e+06 assign (resid 70 and name HA ) (resid 70 and name HG1 ) 2.5 0.7 3.5 ! A.1118 at 1.03e+07 assign (resid 70 and name HA ) (resid 70 and name HB1 ) 2.5 0.7 3.5 ! A.1119 at 1.55e+07 assign (resid 70 and name HG2 ) (resid 70 and name HN ) 2.5 0.7 3.5 ! A.2076 at 2.27e+06 assign (resid 70 and name HG2 ) (resid 70 and name HG1 ) 2.5 0.7 3.5 ! A.1838 at 3.13e+07 assign (resid 70 and name HG1 ) (resid 70 and name HN ) 2.5 0.7 3.5 ! A.1833 at 5.10e+06 assign (resid 70 and name HB2 ) (resid 70 and name HA ) 2.5 0.7 3.5 ! A.1841 at 4.79e+06 assign (resid 70 and name HB1 ) (resid 70 and name HG2 ) 2.5 0.7 3.5 ! A.1165 at 7.20e+06 assign (resid 70 and name HB2 ) (resid 70 and name HG2 ) 2.5 0.7 3.5 ! A.1164 at 5.45e+06 assign (resid 70 and name HB2 ) (resid 70 and name HN ) 2.5 0.7 3.5 ! C.588 at 2.86e+07 assign (resid 70 and name HA ) (resid 71 and name HN ) 2.5 0.7 3.5 ! A.1050 at 3.41e+06 assign (resid 70 and name HB2 ) (resid 71 and name HN ) 2.5 0.7 3.5 ! C.284 at 5.05e+06 assign (resid 70 and name HN ) (resid 71 and name HN ) 2.5 0.7 3.5 ! C.280 at 2.52e+07 assign (resid 70 and name HN ) (resid 71 and name HB2 ) 2.5 0.7 3.5 ! C.987 at 2.86e+06 assign (resid 70 and name HB1 ) (resid 74 and name HD# ) 2.5 0.7 3.5 ! A.1162 at 6.41e+06 assign (resid 70 and name HB1 ) (resid 74 and name HE# ) 2.5 0.7 3.5 ! A.1163 at 4.50e+06 assign (resid 71 and name HA ) (resid 71 and name HN ) 2.5 0.7 3.5 ! A.214 at 1.07e+07 assign (resid 71 and name HA ) (resid 71 and name HB1 ) 2.5 0.7 3.5 ! A.210 at 3.18e+07 assign (resid 71 and name HA ) (resid 71 and name HB2 ) 2.5 0.7 3.5 ! A.209 at 2.03e+07 assign (resid 71 and name HA ) (resid 71 and name HG1 ) 2.5 0.7 3.5 ! A.211 at 1.17e+07 assign (resid 71 and name HG2 ) (resid 71 and name HG1 ) 2.5 0.7 3.5 ! A.2073 at 7.42e+07 assign (resid 71 and name HG2 ) (resid 71 and name HA ) 2.5 0.7 3.5 ! A.201 at 1.14e+07 assign (resid 71 and name HG2 ) (resid 71 and name HB2 ) 2.5 0.7 3.5 ! A.199 at 2.06e+07 assign (resid 71 and name HG2 ) (resid 71 and name HN ) 2.5 0.7 3.5 ! A.208 at 4.15e+06 assign (resid 71 and name HG1 ) (resid 71 and name HB2 ) 2.5 0.7 3.5 ! A.200 at 1.04e+07 assign (resid 71 and name HB2 ) (resid 71 and name HN ) 2.5 0.7 3.5 ! A.196 at 1.04e+07 assign (resid 71 and name HB2 ) (resid 71 and name HB1 ) 2.5 0.7 3.5 ! A.193 at 4.78e+07 assign (resid 71 and name HB1 ) (resid 71 and name HN ) 2.5 0.7 3.5 ! A.215 at 8.72e+06 assign (resid 71 and name HG1 ) (resid 71 and name HN ) 2.5 0.7 3.5 ! C.286 at 6.64e+06 assign (resid 71 and name HB2 ) (resid 72 and name HN ) 2.5 0.7 3.5 ! A.197 at 4.21e+06 assign (resid 71 and name HB1 ) (resid 72 and name HN ) 2.5 0.7 3.5 ! A.216 at 7.31e+06 assign (resid 71 and name HN ) (resid 72 and name HN ) 2.5 0.7 3.5 ! C.281 at 1.54e+07 assign (resid 71 and name HG1 ) (resid 72 and name HN ) 2.5 0.7 3.5 ! C.602 at 1.11e+07 assign (resid 71 and name HB1 ) (resid 73 and name HN ) 2.5 0.7 3.5 ! C.442 at 3.58e+06 assign (resid 71 and name HA ) (resid 74 and name HN ) 2.5 0.7 3.5 ! C.577 at 4.61e+06 assign (resid 71 and name HG1 ) (resid 75 and name HD22 ) 2.5 0.7 3.5 ! A.205 at 4.27e+06 assign (resid 71 and name HG1 ) (resid 75 and name HD21 ) 2.5 0.7 3.5 ! A.206 at 3.35e+06 assign (resid 71 and name HG1 ) (resid 75 and name HN ) 2.5 0.7 3.5 ! C.500 at 3.27e+06 assign (resid 71 and name HG2 ) (resid 75 and name HD21 ) 2.5 0.7 3.5 ! C.1127 at 6.30e+06 assign (resid 71 and name HA ) (resid 75 and name HD22 ) 2.5 0.7 3.5 ! C.1138 at 1.70e+06 assign (resid 71 and name HG2 ) (resid 75 and name HD22 ) 2.5 0.7 3.5 ! C.1030 at 6.14e+06 assign (resid 72 and name HA ) (resid 72 and name HN ) 2.5 0.7 3.5 ! A.1027 at 2.00e+07 assign (resid 72 and name HG# ) (resid 72 and name HN ) 2.5 0.7 4.0 ! C.599 at 2.90e+07 assign (resid 72 and name HB# ) (resid 72 and name HN ) 2.5 0.7 4.0 ! C.600 at 7.15e+07 assign (resid 72 and name HB# ) (resid 73 and name HN ) 2.5 0.7 4.0 ! C.440 at 2.68e+07 assign (resid 72 and name HA ) (resid 73 and name HN ) 2.5 0.7 3.5 ! C.438 at 8.90e+06 assign (resid 72 and name HN ) (resid 73 and name HB1 ) 2.5 0.7 3.5 ! C.605 at 3.15e+06 assign (resid 72 and name HN ) (resid 73 and name HA ) 2.5 0.7 3.5 ! C.604 at 5.01e+06 assign (resid 72 and name HN ) (resid 73 and name HB2 ) 2.5 0.7 3.5 ! C.606 at 5.07e+06 assign (resid 72 and name HN ) (resid 73 and name HN ) 2.5 0.7 3.5 ! C.609 at 4.09e+08 assign (resid 72 and name HA ) (resid 75 and name HB1 ) 2.5 0.7 3.5 ! A.1151 at 2.12e+07 assign (resid 72 and name HA ) (resid 75 and name HB2 ) 2.5 0.7 3.5 ! A.1149 at 8.65e+06 assign (resid 72 and name HG# ) (resid 75 and name HN ) 2.5 0.7 4.0 ! C.499 at 5.47e+06 assign (resid 72 and name HA ) (resid 75 and name HN ) 2.5 0.7 3.5 ! C.495 at 1.74e+07 assign (resid 72 and name HA ) (resid 75 and name HD22 ) 2.5 0.7 3.5 ! C.1028 at 3.94e+06 assign (resid 72 and name HG# ) (resid 75 and name HD21 ) 2.5 0.7 4.0 ! C.1129 at 1.80e+06 assign (resid 72 and name HA ) (resid 75 and name HD21 ) 2.5 0.7 3.5 ! C.1126 at 7.70e+06 assign (resid 72 and name HA ) (resid 76 and name HN ) 2.5 0.7 3.5 ! C.1149 at 6.78e+06 assign (resid 73 and name HA ) (resid 73 and name HN ) 2.5 0.7 3.5 ! A.1127 at 1.28e+07 assign (resid 73 and name HA ) (resid 73 and name HB2 ) 2.5 0.7 3.5 ! A.1124 at 2.01e+07 assign (resid 73 and name HA ) (resid 73 and name HD# ) 2.5 0.7 3.5 ! A.1126 at 1.73e+07 assign (resid 73 and name HA ) (resid 73 and name HB1 ) 2.5 0.7 3.5 ! A.1125 at 1.83e+07 assign (resid 73 and name HB2 ) (resid 73 and name HN ) 2.5 0.7 3.5 ! A.41 at 1.52e+07 assign (resid 73 and name HB2 ) (resid 73 and name HB1 ) 2.5 0.7 3.5 ! A.1563 at 3.48e+07 assign (resid 73 and name HB2 ) (resid 73 and name HD# ) 2.5 0.7 3.5 ! A.40 at 1.24e+07 assign (resid 73 and name HB1 ) (resid 73 and name HN ) 2.5 0.7 3.5 ! A.42 at 1.70e+07 assign (resid 73 and name HB1 ) (resid 73 and name HD# ) 2.5 0.7 3.5 ! A.39 at 1.50e+07 assign (resid 73 and name HD# ) (resid 73 and name HN ) 2.5 0.7 3.5 ! B.33 at 1.60e+06 assign (resid 73 and name HD# ) (resid 73 and name HE# ) 2.5 0.7 3.5 ! B.140 at 8.66e+06 assign (resid 73 and name HB1 ) (resid 74 and name HN ) 2.5 0.7 3.5 ! A.2101 at 3.33e+06 assign (resid 73 and name HB2 ) (resid 74 and name HN ) 2.5 0.7 3.5 ! A.1079 at 4.36e+06 assign (resid 73 and name HD# ) (resid 74 and name HD# ) 2.5 0.7 3.5 ! B.17 at 5.18e+06 assign (resid 73 and name HD# ) (resid 74 and name HN ) 2.5 0.7 3.5 ! B.34 at 1.22e+06 assign (resid 73 and name HE# ) (resid 74 and name HE# ) 2.5 0.7 3.5 ! B.180 at 1.71e+06 assign (resid 73 and name HN ) (resid 74 and name HN ) 2.5 0.7 3.5 ! C.434 at 6.55e+06 assign (resid 73 and name HA ) (resid 74 and name HN ) 2.5 0.7 3.5 ! C.579 at 6.78e+06 assign (resid 73 and name HN ) (resid 75 and name HN ) 2.5 0.7 3.5 ! C.431 at 1.05e+07 assign (resid 73 and name HA ) (resid 76 and name HN ) 2.5 0.7 3.5 ! A.1128 at 3.40e+06 assign (resid 73 and name HN ) (resid 77 and name HB1 ) 2.5 0.7 3.5 ! C.1061 at 7.04e+06 assign (resid 74 and name HA ) (resid 74 and name HB2 ) 2.5 0.7 3.5 ! A.59 at 2.30e+07 assign (resid 74 and name HA ) (resid 74 and name HD# ) 2.5 0.7 3.5 ! A.55 at 1.01e+07 assign (resid 74 and name HB1 ) (resid 74 and name HD# ) 2.5 0.7 3.5 ! A.254 at 8.95e+06 assign (resid 74 and name HB1 ) (resid 74 and name HB2 ) 2.5 0.7 3.5 ! A.1991 at 2.50e+07 assign (resid 74 and name HD# ) (resid 74 and name HN ) 2.5 0.7 3.5 ! B.15 at 5.97e+06 assign (resid 74 and name HD# ) (resid 74 and name HE# ) 2.5 0.7 3.5 ! B.16 at 1.63e+07 assign (resid 74 and name HD# ) (resid 74 and name HB2 ) 2.5 0.7 3.5 ! B.19 at 9.50e+06 assign (resid 74 and name HE# ) (resid 74 and name HB2 ) 2.5 0.7 3.5 ! B.78 at 3.52e+06 assign (resid 74 and name HE# ) (resid 74 and name HN ) 2.5 0.7 3.5 ! C.125 at 2.77e+06 assign (resid 74 and name HB2 ) (resid 74 and name HN ) 2.5 0.7 3.5 ! C.122 at 1.27e+07 assign (resid 74 and name HA ) (resid 74 and name HN ) 2.5 0.7 3.5 ! C.121 at 3.82e+07 assign (resid 74 and name HA ) (resid 75 and name HN ) 2.5 0.7 3.5 ! A.56 at 1.41e+07 assign (resid 74 and name HB1 ) (resid 75 and name HN ) 2.5 0.7 3.5 ! A.253 at 9.83e+06 assign (resid 74 and name HB2 ) (resid 75 and name HN ) 2.5 0.7 3.5 ! A.985 at 4.47e+06 assign (resid 74 and name HA ) (resid 76 and name HN ) 2.5 0.7 3.5 ! C.936 at 3.81e+06 assign (resid 74 and name HN ) (resid 76 and name HN ) 2.5 0.7 3.5 ! C.575 at 2.86e+06 assign (resid 74 and name HA ) (resid 77 and name HB2 ) 2.5 0.7 3.5 ! A.257 at 2.71e+06 assign (resid 74 and name HA ) (resid 77 and name HN ) 2.5 0.7 3.5 ! A.488 at 3.24e+06 assign (resid 74 and name HA ) (resid 77 and name HA ) 2.5 0.7 3.5 ! A.58 at 6.40e+06 assign (resid 74 and name HA ) (resid 77 and name HB1 ) 2.5 0.7 3.5 ! A.256 at 6.15e+06 assign (resid 74 and name HE# ) (resid 77 and name HA ) 2.5 0.7 3.5 ! A.420 at 9.30e+06 assign (resid 74 and name HE# ) (resid 77 and name HB2 ) 2.5 0.7 3.5 ! A.242 at 3.38e+06 assign (resid 74 and name HE# ) (resid 77 and name HB1 ) 2.5 0.7 3.5 ! B.178 at 1.29e+06 assign (resid 74 and name HN ) (resid 77 and name HB1 ) 2.5 0.7 3.5 ! C.751 at 2.08e+06 assign (resid 74 and name HA ) (resid 78 and name HN ) 2.5 0.7 3.5 ! C.370 at 2.27e+06 assign (resid 75 and name HA ) (resid 75 and name HN ) 2.5 0.7 3.5 ! A.2098 at 1.71e+07 assign (resid 75 and name HB2 ) (resid 75 and name HA ) 2.5 0.7 3.5 ! A.1147 at 1.59e+07 assign (resid 75 and name HB1 ) (resid 75 and name HA ) 2.5 0.7 3.5 ! A.1148 at 1.11e+07 assign (resid 75 and name HB1 ) (resid 75 and name HD21 ) 2.5 0.7 3.5 ! A.2082 at 1.09e+07 assign (resid 75 and name HB1 ) (resid 75 and name HN ) 2.5 0.7 3.5 ! A.1705 at 1.07e+07 assign (resid 75 and name HB2 ) (resid 75 and name HD21 ) 2.5 0.7 3.5 ! A.2081 at 9.45e+06 assign (resid 75 and name HB2 ) (resid 75 and name HN ) 2.5 0.7 3.5 ! A.1706 at 7.84e+06 assign (resid 75 and name HA ) (resid 75 and name HD21 ) 2.5 0.7 3.5 ! C.703 at 2.17e+06 assign (resid 75 and name HB1 ) (resid 75 and name HD22 ) 2.5 0.7 3.5 ! C.698 at 1.02e+07 assign (resid 75 and name HD22 ) (resid 75 and name HD21 ) 2.5 0.7 3.5 ! C.702 at 1.54e+08 assign (resid 75 and name HB1 ) (resid 76 and name HN ) 2.5 0.7 3.5 ! A.1708 at 6.28e+06 assign (resid 75 and name HB2 ) (resid 76 and name HN ) 2.5 0.7 3.5 ! A.1707 at 4.66e+06 assign (resid 75 and name HN ) (resid 76 and name HN ) 2.5 0.7 3.5 ! C.273 at 2.62e+07 assign (resid 75 and name HA ) (resid 78 and name HB1 ) 2.5 0.7 3.5 ! A.934 at 5.19e+06 assign (resid 75 and name HA ) (resid 78 and name HB2 ) 2.5 0.7 3.5 ! A.935 at 3.17e+06 assign (resid 75 and name HA ) (resid 78 and name HN ) 2.5 0.7 3.5 ! C.361 at 1.14e+07 assign (resid 76 and name HA ) (resid 76 and name HB2 ) 2.5 0.7 3.5 ! A.1423 at 2.05e+07 assign (resid 76 and name HB2 ) (resid 76 and name HN ) 2.5 0.7 3.5 ! A.1132 at 6.41e+06 assign (resid 76 and name HB1 ) (resid 76 and name HN ) 2.5 0.7 3.5 ! A.1133 at 1.17e+07 assign (resid 76 and name HB1 ) (resid 76 and name HB2 ) 2.5 0.7 3.5 ! A.1187 at 3.73e+07 assign (resid 76 and name HB1 ) (resid 76 and name HA ) 2.5 0.7 3.5 ! A.1131 at 8.43e+06 assign (resid 76 and name HA ) (resid 76 and name HN ) 2.5 0.7 3.5 ! C.275 at 2.98e+07 assign (resid 76 and name HB2 ) (resid 77 and name HN ) 2.5 0.7 3.5 ! A.1192 at 2.32e+06 assign (resid 76 and name HN ) (resid 77 and name HN ) 2.5 0.7 3.5 ! C.274 at 2.16e+07 assign (resid 76 and name HB1 ) (resid 77 and name HN ) 2.5 0.7 3.5 ! C.397 at 1.91e+07 assign (resid 76 and name HN ) (resid 78 and name HN ) 2.5 0.7 3.5 ! C.374 at 2.66e+06 assign (resid 76 and name HA ) (resid 79 and name HG2# ) 2.5 0.7 4.0 ! A.1425 at 1.30e+07 assign (resid 77 and name HA ) (resid 77 and name HN ) 2.5 0.7 3.5 ! A.419 at 6.88e+06 assign (resid 77 and name HA ) (resid 77 and name HG1 ) 2.5 0.7 3.5 ! A.1196 at 2.26e+07 assign (resid 77 and name HA ) (resid 77 and name HG2 ) 2.5 0.7 3.5 ! A.1193 at 2.27e+06 assign (resid 77 and name HA ) (resid 77 and name HB2 ) 2.5 0.7 3.5 ! A.1194 at 1.03e+07 assign (resid 77 and name HA ) (resid 77 and name HB1 ) 2.5 0.7 3.5 ! A.1195 at 8.54e+06 assign (resid 77 and name HB2 ) (resid 77 and name HN ) 2.5 0.7 3.5 ! A.241 at 2.18e+06 assign (resid 77 and name HB2 ) (resid 77 and name HG1 ) 2.5 0.7 3.5 ! A.1111 at 4.96e+06 assign (resid 77 and name HB2 ) (resid 77 and name HG2 ) 2.5 0.7 3.5 ! A.426 at 4.84e+06 assign (resid 77 and name HB2 ) (resid 77 and name HB1 ) 2.5 0.7 3.5 ! A.1108 at 1.54e+07 assign (resid 77 and name HB1 ) (resid 77 and name HG2 ) 2.5 0.7 3.5 ! A.427 at 5.85e+06 assign (resid 77 and name HB1 ) (resid 77 and name HN ) 2.5 0.7 3.5 ! A.240 at 3.93e+06 assign (resid 77 and name HB1 ) (resid 77 and name HG1 ) 2.5 0.7 3.5 ! A.1110 at 5.99e+06 assign (resid 77 and name HG1 ) (resid 77 and name HG2 ) 2.5 0.7 3.5 ! A.521 at 2.16e+07 assign (resid 77 and name HG2 ) (resid 77 and name HN ) 2.5 0.7 3.5 ! A.516 at 3.80e+06 assign (resid 77 and name HG1 ) (resid 77 and name HN ) 2.5 0.7 3.5 ! A.515 at 6.63e+06 assign (resid 77 and name HB1 ) (resid 78 and name HN ) 2.5 0.7 3.5 ! A.422 at 3.02e+06 assign (resid 77 and name HN ) (resid 78 and name HN ) 2.5 0.7 3.5 ! C.358 at 2.15e+07 assign (resid 77 and name HG1 ) (resid 78 and name HN ) 2.5 0.7 3.5 ! C.367 at 3.80e+06 assign (resid 77 and name HB2 ) (resid 78 and name HN ) 2.5 0.7 3.5 ! C.369 at 5.48e+06 assign (resid 77 and name HA ) (resid 78 and name HN ) 2.5 0.7 3.5 ! C.372 at 4.17e+06 assign (resid 77 and name HA ) (resid 80 and name HB ) 2.5 0.7 3.5 ! A.915 at 1.05e+07 assign (resid 77 and name HA ) (resid 80 and name HD1# ) 2.5 0.7 4.0 ! A.922 at 2.57e+07 assign (resid 77 and name HG1 ) (resid 80 and name HN ) 2.5 0.7 3.5 ! C.334 at 2.33e+07 assign (resid 78 and name HA ) (resid 78 and name HN ) 2.5 0.7 3.5 ! A.1026 at 1.68e+07 assign (resid 78 and name HA ) (resid 78 and name HB1 ) 2.5 0.7 3.5 ! A.1036 at 3.32e+07 assign (resid 78 and name HG2 ) (resid 78 and name HN ) 2.5 0.7 3.5 ! A.402 at 2.85e+06 assign (resid 78 and name HG1 ) (resid 78 and name HN ) 2.5 0.7 3.5 ! A.401 at 2.75e+06 assign (resid 78 and name HG1 ) (resid 78 and name HE22 ) 2.5 0.7 3.5 ! A.1035 at 4.73e+06 assign (resid 78 and name HG1 ) (resid 78 and name HE21 ) 2.5 0.7 3.5 ! A.1034 at 9.13e+06 assign (resid 78 and name HG2 ) (resid 78 and name HA ) 2.5 0.7 3.5 ! A.405 at 9.38e+06 assign (resid 78 and name HG1 ) (resid 78 and name HA ) 2.5 0.7 3.5 ! A.404 at 1.01e+07 assign (resid 78 and name HB2 ) (resid 78 and name HN ) 2.5 0.7 3.5 ! A.416 at 6.85e+06 assign (resid 78 and name HB2 ) (resid 78 and name HB1 ) 2.5 0.7 3.5 ! A.940 at 3.45e+07 assign (resid 78 and name HB2 ) (resid 78 and name HA ) 2.5 0.7 3.5 ! A.936 at 7.90e+06 assign (resid 78 and name HB1 ) (resid 78 and name HN ) 2.5 0.7 3.5 ! A.415 at 7.15e+06 assign (resid 78 and name HB2 ) (resid 78 and name HE22 ) 2.5 0.7 3.5 ! C.776 at 6.64e+06 assign (resid 78 and name HB2 ) (resid 78 and name HE21 ) 2.5 0.7 3.5 ! C.775 at 1.18e+07 assign (resid 78 and name HB1 ) (resid 79 and name HA ) 2.5 0.7 3.5 ! A.1371 at 3.49e+06 assign (resid 78 and name HB1 ) (resid 79 and name HN ) 2.5 0.7 3.5 ! A.414 at 4.30e+06 assign (resid 78 and name HN ) (resid 79 and name HN ) 2.5 0.7 3.5 ! C.359 at 1.87e+07 assign (resid 78 and name HB2 ) (resid 79 and name HN ) 2.5 0.7 3.5 ! C.1003 at 1.91e+07 assign (resid 78 and name HE22 ) (resid 82 and name HD2# ) 2.5 0.7 4.0 ! C.778 at 4.88e+06 assign (resid 78 and name HE21 ) (resid 82 and name HD1# ) 2.5 0.7 4.0 ! C.779 at 5.96e+06 assign (resid 79 and name HB ) (resid 79 and name HN ) 2.5 0.7 3.5 ! A.1138 at 1.46e+07 assign (resid 79 and name HB ) (resid 79 and name HG2# ) 2.5 0.7 4.0 ! A.1144 at 5.07e+07 assign (resid 79 and name HB ) (resid 79 and name HA ) 2.5 0.7 3.5 ! A.1140 at 3.13e+07 assign (resid 79 and name HA ) (resid 79 and name HN ) 2.5 0.7 3.5 ! A.1152 at 1.71e+07 assign (resid 79 and name HA ) (resid 79 and name HG2# ) 2.5 0.7 4.0 ! A.1368 at 4.10e+07 assign (resid 79 and name HG2# ) (resid 79 and name HN ) 2.5 0.7 4.0 ! A.1821 at 2.07e+07 assign (resid 79 and name HB ) (resid 80 and name HN ) 2.5 0.7 3.5 ! A.1139 at 6.97e+06 assign (resid 79 and name HA ) (resid 80 and name HN ) 2.5 0.7 3.5 ! C.941 at 1.18e+07 assign (resid 79 and name HG2# ) (resid 80 and name HN ) 2.5 0.7 4.0 ! C.335 at 1.55e+07 assign (resid 79 and name HN ) (resid 80 and name HN ) 2.5 0.7 3.5 ! C.1008 at 2.14e+07 assign (resid 79 and name HN ) (resid 80 and name HA ) 2.5 0.7 3.5 ! C.1000 at 2.73e+06 assign (resid 79 and name HA ) (resid 82 and name HB1 ) 2.5 0.7 3.5 ! A.1367 at 2.50e+07 assign (resid 79 and name HA ) (resid 82 and name HD2# ) 2.5 0.7 4.0 ! A.1369 at 2.90e+07 assign (resid 79 and name HA ) (resid 82 and name HB2 ) 2.5 0.7 3.5 ! A.763 at 4.36e+06 assign (resid 79 and name HA ) (resid 82 and name HN ) 2.5 0.7 3.5 ! C.378 at 1.84e+07 assign (resid 79 and name HA ) (resid 83 and name HN ) 2.5 0.7 3.5 ! C.805 at 1.02e+07 assign (resid 80 and name HA ) (resid 80 and name HG2# ) 2.5 0.7 4.0 ! A.747 at 3.85e+07 assign (resid 80 and name HA ) (resid 80 and name HN ) 2.5 0.7 3.5 ! A.745 at 1.48e+07 assign (resid 80 and name HA ) (resid 80 and name HB ) 2.5 0.7 3.5 ! A.746 at 1.26e+07 assign (resid 80 and name HB ) (resid 80 and name HN ) 2.5 0.7 3.5 ! A.1321 at 1.45e+07 assign (resid 80 and name HG11 ) (resid 80 and name HG12 ) 2.5 0.7 3.5 ! A.2055 at 4.13e+07 assign (resid 80 and name HG12 ) (resid 80 and name HB ) 2.5 0.7 3.5 ! A.2053 at 5.14e+06 assign (resid 80 and name HG12 ) (resid 80 and name HN ) 2.5 0.7 3.5 ! A.1259 at 6.58e+06 assign (resid 80 and name HG11 ) (resid 80 and name HN ) 2.5 0.7 3.5 ! A.1258 at 1.10e+07 assign (resid 80 and name HG2# ) (resid 80 and name HG11 ) 2.5 0.7 4.0 ! A.754 at 6.47e+07 assign (resid 80 and name HG2# ) (resid 80 and name HN ) 2.5 0.7 4.0 ! A.755 at 4.35e+06 assign (resid 80 and name HD1# ) (resid 80 and name HA ) 2.5 0.7 4.0 ! A.923 at 1.61e+07 assign (resid 80 and name HD1# ) (resid 80 and name HB ) 2.5 0.7 4.0 ! A.1302 at 3.77e+07 assign (resid 80 and name HD1# ) (resid 80 and name HG11 ) 2.5 0.7 4.0 ! A.1301 at 9.38e+07 assign (resid 80 and name HA ) (resid 81 and name HN ) 2.5 0.7 3.5 ! A.748 at 4.08e+06 assign (resid 80 and name HB ) (resid 81 and name HN ) 2.5 0.7 3.5 ! A.1704 at 6.93e+06 assign (resid 80 and name HN ) (resid 81 and name HN ) 2.5 0.7 3.5 ! C.324 at 3.12e+07 assign (resid 80 and name HG2# ) (resid 81 and name HN ) 2.5 0.7 4.0 ! C.879 at 1.14e+07 assign (resid 80 and name HA ) (resid 82 and name HN ) 2.5 0.7 3.5 ! C.379 at 3.66e+06 assign (resid 80 and name HA ) (resid 83 and name HG1 ) 2.5 0.7 3.5 ! A.1292 at 1.56e+07 assign (resid 80 and name HA ) (resid 83 and name HB# ) 2.5 0.7 4.0 ! A.625 at 5.68e+06 assign (resid 80 and name HA ) (resid 83 and name HG2 ) 2.5 0.7 3.5 ! A.793 at 4.27e+06 assign (resid 80 and name HA ) (resid 83 and name HN ) 2.5 0.7 3.5 ! C.806 at 7.61e+06 assign (resid 80 and name HN ) (resid 83 and name HN ) 2.5 0.7 3.5 ! C.813 at 2.85e+07 assign (resid 81 and name HB ) (resid 81 and name HG2# ) 2.5 0.7 4.0 ! A.1342 at 3.80e+07 assign (resid 81 and name HA ) (resid 81 and name HN ) 2.5 0.7 3.5 ! A.494 at 1.53e+07 assign (resid 81 and name HG2# ) (resid 81 and name HA ) 2.5 0.7 4.0 ! A.229 at 4.09e+07 assign (resid 81 and name HG2# ) (resid 81 and name HN ) 2.5 0.7 4.0 ! A.504 at 2.86e+07 assign (resid 81 and name HB ) (resid 81 and name HN ) 2.5 0.7 3.5 ! C.871 at 1.81e+07 assign (resid 81 and name HN ) (resid 82 and name HN ) 2.5 0.7 3.5 ! C.384 at 1.78e+07 assign (resid 82 and name HA ) (resid 82 and name HB1 ) 2.5 0.7 3.5 ! A.1452 at 3.51e+07 assign (resid 82 and name HA ) (resid 82 and name HB2 ) 2.5 0.7 3.5 ! A.1453 at 3.25e+07 assign (resid 82 and name HA ) (resid 82 and name HG ) 2.5 0.7 3.5 ! A.2049 at 6.21e+07 assign (resid 82 and name HB2 ) (resid 82 and name HD2# ) 2.5 0.7 4.0 ! A.764 at 5.68e+07 assign (resid 82 and name HB1 ) (resid 82 and name HB2 ) 2.5 0.7 3.5 ! A.1829 at 6.79e+07 assign (resid 82 and name HB1 ) (resid 82 and name HN ) 2.5 0.7 3.5 ! A.766 at 1.51e+07 assign (resid 82 and name HB2 ) (resid 82 and name HN ) 2.5 0.7 3.5 ! A.765 at 8.54e+06 assign (resid 82 and name HB1 ) (resid 82 and name HG ) 2.5 0.7 3.5 ! A.702 at 3.75e+07 assign (resid 82 and name HD1# ) (resid 82 and name HA ) 2.5 0.7 4.0 ! A.840 at 7.87e+07 assign (resid 82 and name HD2# ) (resid 82 and name HB1 ) 2.5 0.7 4.0 ! A.1926 at 1.10e+08 assign (resid 82 and name HA ) (resid 82 and name HN ) 2.5 0.7 3.5 ! C.377 at 3.94e+07 assign (resid 82 and name HG ) (resid 82 and name HN ) 2.5 0.7 3.5 ! C.381 at 2.92e+07 assign (resid 82 and name HG ) (resid 83 and name HN ) 2.5 0.7 3.5 ! C.810 at 1.20e+07 assign (resid 82 and name HD1# ) (resid 85 and name HB1 ) 2.5 0.7 4.0 ! A.1927 at 2.65e+07 assign (resid 83 and name HA ) (resid 83 and name HN ) 2.5 0.7 3.5 ! A.860 at 1.82e+07 assign (resid 83 and name HA ) (resid 83 and name HB# ) 2.5 0.7 4.0 ! A.862 at 6.55e+07 assign (resid 83 and name HA ) (resid 83 and name HG1 ) 2.5 0.7 3.5 ! A.863 at 3.12e+07 assign (resid 83 and name HE# ) (resid 83 and name HD# ) 2.5 0.7 4.5 ! A.948 at 9.98e+07 assign (resid 83 and name HE# ) (resid 83 and name HB# ) 2.5 0.7 4.5 ! A.949 at 2.53e+07 assign (resid 83 and name HB# ) (resid 83 and name HN ) 2.5 0.7 4.0 ! A.613 at 2.92e+07 assign (resid 83 and name HD# ) (resid 83 and name HA ) 2.5 0.7 4.0 ! A.800 at 1.09e+07 assign (resid 83 and name HG1 ) (resid 83 and name HN ) 2.5 0.7 3.5 ! A.1291 at 3.99e+06 assign (resid 83 and name HG2 ) (resid 83 and name HA ) 2.5 0.7 3.5 ! A.791 at 9.38e+06 assign (resid 83 and name HG1 ) (resid 83 and name HE# ) 2.5 0.7 4.0 ! A.794 at 1.69e+07 assign (resid 83 and name HG2 ) (resid 83 and name HE# ) 2.5 0.7 4.0 ! A.797 at 1.01e+07 assign (resid 83 and name HE# ) (resid 83 and name HN ) 2.5 0.7 4.0 ! C.807 at 2.43e+06 assign (resid 83 and name HA ) (resid 84 and name HN ) 2.5 0.7 3.5 ! A.861 at 6.57e+06 assign (resid 83 and name HB# ) (resid 84 and name HN ) 2.5 0.7 4.0 ! C.824 at 1.22e+07 assign (resid 83 and name HG1 ) (resid 84 and name HN ) 2.5 0.7 3.5 ! C.825 at 5.41e+06 assign (resid 84 and name HB# ) (resid 84 and name HN ) 2.5 0.7 4.0 ! A.1155 at 7.90e+06 assign (resid 84 and name HA ) (resid 84 and name HN ) 2.5 0.7 3.5 ! A.626 at 7.19e+06 assign (resid 84 and name HB# ) (resid 85 and name HB2 ) 2.5 0.7 4.0 ! A.1457 at 2.28e+07 assign (resid 84 and name HB# ) (resid 85 and name HG1 ) 2.5 0.7 4.0 ! A.1458 at 1.17e+07 assign (resid 84 and name HA ) (resid 85 and name HN ) 2.5 0.7 3.5 ! A.779 at 6.84e+06 assign (resid 84 and name HB# ) (resid 85 and name HN ) 2.5 0.7 4.0 ! C.393 at 1.02e+07 assign (resid 85 and name HA ) (resid 85 and name HB1 ) 2.5 0.7 3.5 ! A.651 at 4.53e+07 assign (resid 85 and name HA ) (resid 85 and name HN ) 2.5 0.7 3.5 ! A.25 at 9.62e+06 assign (resid 85 and name HG1 ) (resid 85 and name HA ) 2.5 0.7 3.5 ! A.641 at 1.13e+07 assign (resid 85 and name HG2 ) (resid 85 and name HA ) 2.5 0.7 3.5 ! A.642 at 1.29e+07 assign (resid 85 and name HB2 ) (resid 85 and name HA ) 2.5 0.7 3.5 ! A.659 at 1.61e+07 assign (resid 85 and name HG2 ) (resid 85 and name HN ) 2.5 0.7 3.5 ! C.394 at 1.49e+07 assign (resid 85 and name HB2 ) (resid 85 and name HN ) 2.5 0.7 3.5 ! C.395 at 2.50e+07 assign (resid 85 and name HA ) (resid 86 and name HN ) 2.5 0.7 3.5 ! A.1614 at 2.72e+07 assign (resid 85 and name HB2 ) (resid 86 and name HN ) 2.5 0.7 3.5 ! C.814 at 1.51e+07 assign (resid 85 and name HB1 ) (resid 87 and name HN ) 2.5 0.7 3.5 ! C.830 at 3.52e+06 assign (resid 85 and name HG1 ) (resid 87 and name HN ) 2.5 0.7 3.5 ! C.831 at 3.60e+06 assign (resid 86 and name HA ) (resid 86 and name HD2# ) 2.5 0.7 4.0 ! A.587 at 4.10e+07 assign (resid 86 and name HA ) (resid 86 and name HB# ) 2.5 0.7 3.5 ! A.586 at 5.77e+07 assign (resid 86 and name HB# ) (resid 86 and name HN ) 2.5 0.7 3.5 ! A.760 at 8.05e+06 assign (resid 86 and name HG ) (resid 86 and name HD2# ) 2.5 0.7 4.0 ! A.1913 at 2.51e+07 assign (resid 86 and name HG ) (resid 86 and name HA ) 2.5 0.7 3.5 ! A.1954 at 7.26e+06 assign (resid 86 and name HA ) (resid 86 and name HN ) 2.5 0.7 3.5 ! C.99 at 5.49e+07 assign (resid 86 and name HD2# ) (resid 86 and name HN ) 2.5 0.7 4.0 ! C.798 at 1.59e+07 assign (resid 86 and name HB# ) (resid 87 and name HN ) 2.5 0.7 3.5 ! C.828 at 2.04e+07 assign (resid 86 and name HA ) (resid 87 and name HN ) 2.5 0.7 3.5 ! C.694 at 5.99e+07 assign (resid 86 and name HD2# ) (resid 87 and name HN ) 2.5 0.7 4.0 ! C.829 at 7.67e+06 assign (resid 87 and name HA ) (resid 87 and name HN ) 2.5 0.7 3.5 ! A.396 at 7.26e+06 assign (resid 87 and name HB# ) (resid 87 and name HN ) 2.5 0.7 4.0 ! A.2041 at 2.59e+06 assign (resid 87 and name HB# ) (resid 87 and name HA ) 2.5 0.7 4.0 ! A.2040 at 8.74e+06 assign (resid 87 and name HB# ) (resid 87 and name HD21 ) 2.5 0.7 4.0 ! C.707 at 1.10e+07
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