NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
565284 |
2lwz   |
18654 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
! pck2xplr.nawk Table; Input File: NN_noe.dat ! Date: Tue Mar 20 15:10:31 EDT 2012 ! Path: /linuxyang/data/disk02/yang02/70_01_SCI_PH7_071911/5 ! !@ BEGIN_XPLR_PCK_SUM ! LBL File-Name All Intra Seq. Short Long ! A CC_noe.dat 456 122 38 101 195 ! B CN_noe.dat 389 145 147 66 31 ! C NN_noe.dat 32 0 25 6 1 ! Total 877 267 210 173 227 !@ END_XPLR_PCK_SUM !@ BEGIN_XPLR_NOE_FILE ! ! F1 assign (resid 1 and name HA ) (resid 1 and name HB1 ) 3.0 1.2 0.5 ! A.2 at -4.70e+06 assign (resid 1 and name HA ) (resid 1 and name HB2 ) 2.5 0.7 0.3 ! A.3 at -4.70e+06 assign (resid 1 and name HB1 ) (resid 1 and name HD1 ) 2.5 0.7 0.3 ! A.725 at 5.13e+06 assign (resid 1 and name HB2 ) (resid 1 and name HD1 ) 2.5 0.7 0.3 ! A.7 at 5.01e+06 assign (resid 1 and name HB2 ) (resid 1 and name HD2 ) 3.0 1.2 0.5 ! A.724 at 3.59e+06 assign (resid 1 and name HB1 ) (resid 1 and name HD2 ) 3.0 1.2 0.5 ! A.8 at 5.01e+06 assign (resid 1 and name HA ) (resid 1 and name HD1 ) 3.0 1.2 1.5 ! A.6 at -2.30e+06 assign (resid 1 and name HA ) (resid 1 and name HD2 ) 2.5 0.7 0.3 ! A.5 at -2.30e+06 assign (resid 1 and name HA ) (resid 2 and name HN ) 3.0 1.2 0.5 ! B.47 at 1.21e+06 assign (resid 1 and name HB1 ) (resid 2 and name HN ) 3.0 1.2 1.0 ! B.52 at -3.22e+05 assign (resid 1 and name HD2 ) (resid 6 and name HD1# ) 4.0 2.2 0.2 ! A.774 at 4.41e+05 assign (resid 1 and name HD2 ) (resid 6 and name HD2# ) 4.0 2.2 0.2 ! A.723 at 5.15e+05 assign (resid 1 and name HZ ) (resid 6 and name HB2 ) 4.0 2.2 2.3 ! A.730 at 3.63e+05 assign (resid 1 and name HB2 ) (resid 6 and name HD1# ) 4.0 2.2 1.7 ! A.764 at -7.95e+05 assign (resid 1 and name HD2 ) (resid 14 and name HB# ) 4.0 2.2 0.7 ! A.719 at -6.23e+05 assign (resid 1 and name HD1 ) (resid 14 and name HB# ) 4.0 2.2 0.7 ! A.721 at -6.23e+05 assign (resid 1 and name HB2 ) (resid 14 and name HB# ) 4.0 2.2 1.5 ! A.763 at -7.29e+05 assign (resid 1 and name HD2 ) (resid 14 and name HA ) 4.0 2.2 1.5 ! A.636 at -7.11e+05 assign (resid 1 and name HD1 ) (resid 14 and name HA ) 3.0 1.2 1.0 ! A.637 at -7.11e+05 assign (resid 1 and name HD1 ) (resid 17 and name HD2# ) 3.0 1.2 0.5 ! A.727 at 6.46e+05 assign (resid 1 and name HB1 ) (resid 17 and name HD2# ) 4.0 2.2 1.0 ! A.825 at 5.49e+05 assign (resid 1 and name HB2 ) (resid 17 and name HD2# ) 4.0 2.2 1.0 ! A.768 at 5.49e+05 !!!!!assign (resid 1 and name HZ ) (resid 17 and name HD1# ) 3.0 1.2 1.0 ! A.850 at 3.53e+05 assign (resid 1 and name HD1 ) (resid 18 and name HG2# ) 4.0 2.2 1.3 ! A.824 at -3.76e+05 assign (resid 1 and name HD1 ) (resid 49 and name HD2# ) 4.0 2.2 0.8 ! A.729 at 5.42e+05 assign (resid 1 and name HD1 ) (resid 49 and name HD1# ) 4.0 2.2 1.0 ! A.726 at 5.42e+05 assign (resid 1 and name HD2 ) (resid 49 and name HD1# ) 4.0 2.2 1.5 ! A.721 at 6.46e+05 assign (resid 1 and name HD2 ) (resid 49 and name HD2# ) 3.0 1.2 1.0 ! A.728 at 5.41e+05 assign (resid 1 and name HZ ) (resid 49 and name HD2# ) 3.0 1.2 1.0 ! A.853 at 2.40e+05 assign (resid 1 and name HB2 ) (resid 49 and name HD2# ) 4.0 2.2 1.5 ! A.767 at 5.76e+05 assign (resid 1 and name HB1 ) (resid 49 and name HD2# ) 4.0 2.2 0.7 ! A.766 at 7.26e+05 assign (resid 1 and name HB1 ) (resid 49 and name HD1# ) 4.0 2.2 0.9 ! A.765 at 5.49e+05 assign (resid 1 and name HD2 ) (resid 52 and name HD1# ) 4.0 2.2 1.0 ! A.722 at 5.36e+05 assign (resid 1 and name HZ ) (resid 52 and name HD1# ) 3.0 1.2 1.0 ! A.403 at 2.63e+05 assign (resid 1 and name HZ ) (resid 52 and name HB1 ) 3.0 1.2 1.0 ! A.852 at 5.53e+05 ! V2 assign (resid 2 and name HA ) (resid 2 and name HB ) 2.5 0.7 0.3 ! A.13 at -3.14e+06 assign (resid 2 and name HA ) (resid 2 and name HG1# ) 2.5 0.7 0.7 ! A.17 at 4.89e+06 assign (resid 2 and name HA ) (resid 2 and name HG2# ) 3.0 1.2 0.7 ! A.18 at 5.50e+06 assign (resid 2 and name HG2# ) (resid 2 and name HN ) 3.0 1.2 1.0 ! B.50 at 1.15e+06 assign (resid 2 and name HG1# ) (resid 2 and name HN ) 4.0 2.2 1.0 ! B.51 at 1.15e+06 assign (resid 2 and name HB ) (resid 2 and name HN ) 3.0 1.2 0.5 ! B.49 at -1.11e+06 assign (resid 2 and name HA ) (resid 3 and name HN ) 3.0 1.2 0.4 ! B.29 at 6.70e+06 assign (resid 2 and name HG1# ) (resid 3 and name HN ) 3.0 1.2 1.2 ! B.35 at 1.71e+06 assign (resid 2 and name HG2# ) (resid 3 and name HN ) 3.0 1.2 1.5 ! B.33 at 1.71e+06 assign (resid 2 and name HB ) (resid 3 and name HN ) 3.0 1.2 0.5 ! B.32 at -1.09e+06 assign (resid 2 and name HG1# ) (resid 3 and name HD22 ) 4.0 2.2 2.5 ! B.427 at 6.46e+05 assign (resid 2 and name HN ) (resid 3 and name HN ) 3.0 1.2 1.5 ! C.3 at -3.80e+05 assign (resid 2 and name HG2# ) (resid 4 and name HG# ) 3.0 1.2 1.0 ! A.826 at -7.64e+05 assign (resid 2 and name HG2# ) (resid 4 and name HN ) 3.0 1.2 1.0 ! B.23 at 6.08e+05 assign (resid 2 and name HA ) (resid 4 and name HN ) 4.0 2.2 1.0 ! B.24 at 4.08e+05 assign (resid 2 and name HG2# ) (resid 4 and name HE22 ) 4.0 2.2 2.0 ! B.430 at 4.13e+05 assign (resid 2 and name HG1# ) (resid 4 and name HE22 ) 4.0 2.2 2.5 ! B.431 at 5.27e+05 assign (resid 2 and name HG2# ) (resid 4 and name HE21 ) 4.0 2.2 0.5 ! B.435 at 3.93e+05 !!!assign (resid 2 and name HG2# ) (resid 49 and name HB# ) 4.0 2.2 3.0 ! A.382 at -5.25e+05 ! N3 assign (resid 3 and name HA ) (resid 3 and name HB1 ) 2.5 0.7 0.3 ! A.20 at -2.69e+06 assign (resid 3 and name HA ) (resid 3 and name HB2 ) 2.5 0.7 0.6 ! A.21 at -2.65e+06 assign (resid 3 and name HA ) (resid 3 and name HN ) 2.5 0.7 0.7 ! B.28 at 3.17e+06 assign (resid 3 and name HB1 ) (resid 3 and name HN ) 3.0 1.2 0.8 ! B.31 at -1.91e+06 assign (resid 3 and name HB2 ) (resid 3 and name HN ) 3.0 1.2 0.5 ! B.30 at -1.28e+06 assign (resid 3 and name HA ) (resid 3 and name HD21 ) 4.0 2.2 2.0 ! B.421 at 5.04e+05 assign (resid 3 and name HB1 ) (resid 3 and name HD21 ) 3.0 1.2 0.3 ! B.424 at -3.87e+06 assign (resid 3 and name HB2 ) (resid 3 and name HD21 ) 3.0 1.2 0.3 ! B.423 at -2.63e+06 assign (resid 3 and name HB1 ) (resid 3 and name HD22 ) 3.0 1.2 0.8 ! B.426 at -1.57e+06 assign (resid 3 and name HB2 ) (resid 3 and name HD22 ) 4.0 2.2 1.0 ! B.425 at -9.25e+05 assign (resid 3 and name HA ) (resid 4 and name HN ) 2.5 0.7 0.4 ! B.18 at 4.26e+06 assign (resid 3 and name HB1 ) (resid 4 and name HN ) 4.0 2.2 1.0 ! B.27 at -7.49e+05 assign (resid 3 and name HB2 ) (resid 4 and name HN ) 4.0 2.2 0.5 ! B.26 at -5.44e+05 assign (resid 3 and name HN ) (resid 4 and name HN ) 2.5 0.7 0.4 ! C.2 at -1.31e+06 assign (resid 3 and name HA ) (resid 46 and name HG2# ) 2.5 0.7 0.5 ! A.372 at 2.98e+06 assign (resid 3 and name HB2 ) (resid 46 and name HG2# ) 4.0 2.2 1.0 ! A.370 at -9.11e+05 assign (resid 3 and name HB1 ) (resid 46 and name HG2# ) 3.0 1.2 1.0 ! A.369 at -1.13e+06 assign (resid 3 and name HA ) (resid 46 and name HD1# ) 4.0 2.2 1.3 ! A.377 at 5.46e+05 assign (resid 3 and name HN ) (resid 46 and name HG2# ) 4.0 2.2 1.5 ! B.36 at 2.83e+05 assign (resid 3 and name HD21 ) (resid 46 and name HG2# ) 4.0 2.2 1.2 ! B.422 at 3.35e+05 ! Q4 assign (resid 4 and name HA ) (resid 4 and name HB2 ) 3.0 1.2 0.5 ! A.22 at -1.81e+06 assign (resid 4 and name HA ) (resid 4 and name HB1 ) 2.5 0.7 0.3 ! A.26 at -2.32e+06 assign (resid 4 and name HA ) (resid 4 and name HG# ) 3.0 1.2 0.8 ! A.26 at -2.32e+06 assign (resid 4 and name HA ) (resid 4 and name HN ) 3.0 1.2 0.2 ! B.17 at 1.78e+06 assign (resid 4 and name HB2 ) (resid 4 and name HN ) 3.0 1.2 1.0 ! B.19 at -1.51e+06 assign (resid 4 and name HB1 ) (resid 4 and name HN ) 3.0 1.2 1.0 ! B.20 at -6.38e+05 assign (resid 4 and name HG# ) (resid 4 and name HN ) 3.0 1.2 0.2 ! B.21 at -2.49e+06 assign (resid 4 and name HB1 ) (resid 4 and name HE22 ) 4.0 2.2 1.0 ! B.548 at -2.60e+05 assign (resid 4 and name HB2 ) (resid 4 and name HE22 ) 4.0 2.2 0.5 ! B.428 at -2.39e+05 assign (resid 4 and name HG# ) (resid 4 and name HE22 ) 3.0 1.2 0.8 ! B.429 at -1.60e+06 assign (resid 4 and name HG# ) (resid 4 and name HE21 ) 3.0 1.2 0.3 ! B.433 at -3.23e+06 assign (resid 4 and name HB1 ) (resid 4 and name HE21 ) 4.0 2.2 0.5 ! B.434 at -4.83e+05 assign (resid 4 and name HB2 ) (resid 4 and name HE21 ) 4.0 2.2 1.0 ! B.547 at -4.83e+05 assign (resid 4 and name HA ) (resid 5 and name HN ) 2.5 0.7 0.4 ! B.10 at 4.30e+06 assign (resid 4 and name HB2 ) (resid 5 and name HN ) 3.0 1.2 0.5 ! B.14 at -1.37e+06 assign (resid 4 and name HG# ) (resid 5 and name HN ) 4.0 2.2 1.5 ! B.16 at -8.88e+05 assign (resid 4 and name HB1 ) (resid 5 and name HN ) 3.0 1.2 0.5 ! B.15 at -1.32e+06 assign (resid 4 and name HN ) (resid 5 and name HN ) 3.0 1.2 1.5 ! C.5 at -8.16e+05 !!assign (resid 4 and name HG# ) (resid 6 and name HD2# ) 4.0 2.2 3.0 ! A.779 at 4.30e+05 assign (resid 4 and name HB2 ) (resid 6 and name HD1# ) 4.0 2.2 1.5 ! A.775 at 4.46e+05 assign (resid 4 and name HB1 ) (resid 6 and name HD1# ) 4.0 2.2 2.5 ! A.776 at 3.38e+05 assign (resid 4 and name HG# ) (resid 6 and name HD1# ) 3.0 1.2 1.5 ! A.46 at 1.31e+06 assign (resid 4 and name HE22 ) (resid 6 and name HD1# ) 4.0 2.2 2.5 ! B.432 at 5.25e+05 assign (resid 4 and name HE21 ) (resid 6 and name HD1# ) 4.0 2.2 2.5 ! B.436 at -4.44e+05 assign (resid 4 and name HA ) (resid 46 and name HG2# ) 4.0 2.2 0.5 ! A.718 at 5.34e+05 assign (resid 4 and name HB2 ) (resid 46 and name HG2# ) 4.0 2.2 2.0 ! A.367 at -3.44e+05 assign (resid 4 and name HB1 ) (resid 46 and name HG2# ) 4.0 2.2 2.0 ! A.366 at -7.01e+05 assign (resid 4 and name HG# ) (resid 46 and name HG2# ) 4.0 2.2 2.0 ! A.368 at -4.54e+05 assign (resid 4 and name HA ) (resid 46 and name HD1# ) 3.0 1.2 1.0 ! A.378 at 6.47e+05 assign (resid 4 and name HN ) (resid 46 and name HG2# ) 3.0 1.2 1.2 ! B.22 at 1.03e+06 ! H5 assign (resid 5 and name HA ) (resid 5 and name HB1 ) 2.5 0.7 0.5 ! A.27 at -1.08e+06 assign (resid 5 and name HA ) (resid 5 and name HB2 ) 3.0 1.2 0.3 ! A.22 at -9.81e+05 assign (resid 5 and name HA ) (resid 5 and name HN ) 3.0 1.2 0.2 ! B.11 at 3.03e+06 assign (resid 5 and name HB1 ) (resid 5 and name HN ) 3.0 1.2 0.5 ! B.13 at -1.70e+06 assign (resid 5 and name HB2 ) (resid 5 and name HN ) 3.0 1.2 0.5 ! B.12 at -1.03e+06 assign (resid 5 and name HA ) (resid 6 and name HD1# ) 4.0 2.2 2.5 ! A.773 at -4.68e+05 assign (resid 5 and name HA ) (resid 6 and name HN ) 3.0 1.2 0.5 ! B.2 at 2.03e+06 assign (resid 5 and name HB1 ) (resid 6 and name HN ) 4.0 2.2 1.0 ! B.502 at -2.77e+05 assign (resid 5 and name HB2 ) (resid 6 and name HN ) 3.0 1.2 1.0 ! B.4 at -3.36e+05 assign (resid 5 and name HA ) (resid 46 and name HG2# ) 4.0 2.2 1.0 ! A.719 at 3.56e+05 assign (resid 5 and name HN ) (resid 46 and name HG2# ) 4.0 2.2 1.5 ! B.471 at 1.98e+05 !!!!!assign (resid 5 and name HN ) (resid 46 and name HD1# ) 3.0 1.2 1.0 ! B.470 at 2.76e+05 ! L6 assign (resid 6 and name HA ) (resid 6 and name HB1 ) 2.5 0.7 0.5 ! A.28 at -1.09e+06 assign (resid 6 and name HA ) (resid 6 and name HB2 ) 3.0 1.2 0.5 ! A.33 at -8.79e+05 assign (resid 6 and name HD2# ) (resid 6 and name HB1 ) 3.0 1.2 0.8 ! A.30 at 2.21e+06 assign (resid 6 and name HD1# ) (resid 6 and name HB1 ) 3.0 1.2 0.8 ! A.31 at 1.59e+06 assign (resid 6 and name HD2# ) (resid 6 and name HB2 ) 4.0 2.2 1.5 ! A.36 at 7.67e+05 assign (resid 6 and name HD1# ) (resid 6 and name HB2 ) 3.0 1.2 0.8 ! A.37 at -1.33e+06 assign (resid 6 and name HA ) (resid 6 and name HD2# ) 4.0 2.2 1.5 ! A.39 at -7.88e+05 assign (resid 6 and name HA ) (resid 6 and name HG ) 4.0 2.2 1.0 ! A.38 at -7.69e+05 assign (resid 6 and name HA ) (resid 6 and name HD1# ) 2.5 0.7 0.7 ! A.44 at -4.42e+06 assign (resid 6 and name HD2# ) (resid 6 and name HN ) 4.0 2.2 0.8 ! B.8 at 3.68e+05 assign (resid 6 and name HD1# ) (resid 6 and name HN ) 3.0 1.2 0.5 ! B.6 at -4.41e+05 assign (resid 6 and name HA ) (resid 6 and name HN ) 3.0 1.2 0.3 ! B.3 at -4.67e+05 assign (resid 6 and name HB1 ) (resid 6 and name HN ) 3.0 1.2 0.6 ! B.7 at -6.39e+05 assign (resid 6 and name HB2 ) (resid 6 and name HN ) 3.0 2.2 0.2 ! B.9 at -1.52e+05 assign (resid 6 and name HG ) (resid 6 and name HN ) 4.0 2.2 1.0 ! B.5 at -3.21e+05 assign (resid 6 and name HD1# ) (resid 7 and name HN ) 4.0 2.2 1.2 ! B.472 at 4.64e+05 !!!assign (resid 6 and name HD2# ) (resid 7 and name HN ) 4.0 2.2 3.0 ! B.43 at 4.51e+05 assign (resid 6 and name HB2 ) (resid 7 and name HN ) 4.0 2.2 0.5 ! B.473 at 3.94e+05 assign (resid 6 and name HG ) (resid 7 and name HN ) 4.0 2.2 1.0 ! B.503 at -1.12e+05 assign (resid 6 and name HA ) (resid 7 and name HN ) 2.5 0.7 0.5 ! B.37 at 3.10e+06 assign (resid 6 and name HA ) (resid 10 and name HB1 ) 3.0 1.2 1.0 ! A.769 at -5.75e+05 assign (resid 6 and name HA ) (resid 10 and name HB2 ) 3.0 1.2 1.0 ! A.61 at -7.39e+05 assign (resid 6 and name HD1# ) (resid 10 and name HB2 ) 4.0 2.2 1.5 ! A.49 at 8.98e+05 assign (resid 6 and name HD1# ) (resid 10 and name HB1 ) 3.0 1.2 0.8 ! A.59 at 1.52e+06 assign (resid 6 and name HB2 ) (resid 10 and name HB1 ) 4.0 2.2 1.0 ! A.772 at -7.79e+05 assign (resid 6 and name HD2# ) (resid 10 and name HB1 ) 4.0 2.2 1.8 ! A.780 at 3.04e+05 assign (resid 6 and name HD2# ) (resid 10 and name HB2 ) 4.0 2.2 2.5 ! A.781 at 2.70e+05 assign (resid 6 and name HB1 ) (resid 11 and name HD2# ) 4.0 2.2 0.8 ! A.782 at 3.45e+05 assign (resid 6 and name HB2 ) (resid 11 and name HD2# ) 4.0 2.2 1.5 ! A.804 at 8.17e+05 assign (resid 6 and name HB1 ) (resid 11 and name HA ) 4.0 2.2 1.0 ! A.29 at -8.64e+05 assign (resid 6 and name HB2 ) (resid 11 and name HB1 ) 4.0 2.2 2.0 ! A.703 at 3.05e+05 assign (resid 6 and name HB2 ) (resid 11 and name HA ) 4.0 2.2 0.5 ! A.35 at -5.17e+05 assign (resid 6 and name HD2# ) (resid 11 and name HD1# ) 3.0 1.2 1.3 ! A.693 at -2.32e+06 assign (resid 6 and name HB1 ) (resid 11 and name HD1# ) 3.0 1.2 0.8 ! A.681 at -1.23e+06 assign (resid 6 and name HB2 ) (resid 11 and name HD1# ) 3.0 1.2 1.2 ! A.827 at -1.05e+06 assign (resid 6 and name HD1# ) (resid 11 and name HA ) 4.0 2.2 0.5 ! A.47 at -1.06e+06 assign (resid 6 and name HD2# ) (resid 11 and name HA ) 3.0 1.2 1.0 ! A.40 at -6.79e+05 assign (resid 6 and name HD1# ) (resid 11 and name HN ) 4.0 2.2 1.7 ! B.68 at 4.78e+05 assign (resid 6 and name HB2 ) (resid 11 and name HN ) 4.0 2.2 1.5 ! B.505 at 4.07e+05 assign (resid 6 and name HD2# ) (resid 11 and name HN ) 4.0 2.2 2.5 ! B.67 at 3.72e+05 assign (resid 6 and name HD1# ) (resid 14 and name HB# ) 3.0 1.2 1.3 ! A.626 at 2.57e+06 assign (resid 6 and name HD2# ) (resid 14 and name HB# ) 2.5 0.7 1.2 ! A.623 at -4.04e+06 !!!assign (resid 6 and name HD1# ) (resid 14 and name HN ) 4.0 2.2 2.8 ! B.112 at -3.45e+05 assign (resid 6 and name HD2# ) (resid 14 and name HN ) 4.0 2.2 1.5 ! B.111 at -4.21e+05 assign (resid 6 and name HB2 ) (resid 43 and name HA ) 4.0 2.2 1.0 ! A.34 at -6.95e+05 assign (resid 6 and name HN ) (resid 43 and name HA ) 3.0 1.2 0.5 ! B.1 at 1.09e+06 assign (resid 6 and name HD2# ) (resid 49 and name HD2# ) 4.0 2.2 1.2 ! A.777 at 6.94e+06 !!!assign (resid 6 and name HB1 ) (resid 52 and name HG ) 4.0 2.2 2.5 ! A.702 at -4.97e+05 assign (resid 6 and name HD2# ) (resid 52 and name HD2# ) 3.0 1.2 1.5 ! A.778 at 6.55e+06 assign (resid 6 and name HD1# ) (resid 52 and name HD1# ) 4.0 2.2 1.7 ! A.806 at 7.91e+07 !!assign (resid 6 and name HD1# ) (resid 52 and name HD2# ) 4.0 2.2 2.5 ! A.806 at 6.81e+06 assign (resid 6 and name HD2# ) (resid 52 and name HD1# ) 2.5 0.7 1.2 ! A.458 at 3.19e+08 assign (resid 6 and name HB2 ) (resid 52 and name HD1# ) 4.0 2.2 1.0 ! A.397 at -3.61e+06 assign (resid 6 and name HB2 ) (resid 52 and name HD2# ) 4.0 2.2 1.0 ! A.449 at -2.64e+06 ! C7 assign (resid 7 and name HA ) (resid 7 and name HB1 ) 2.5 0.7 0.5 ! B.786 at 1.19e+06 assign (resid 7 and name HA ) (resid 7 and name HB2 ) 3.0 1.2 0.5 ! B.788 at 1.04e+06 assign (resid 7 and name HA ) (resid 7 and name HN ) 3.0 1.2 0.5 ! B.38 at 6.63e+05 assign (resid 7 and name HB2 ) (resid 7 and name HN ) 2.5 0.7 0.5 ! B.40 at 7.90e+06 assign (resid 7 and name HB1 ) (resid 7 and name HN ) 3.0 1.2 1.0 ! B.39 at 5.35e+06 assign (resid 7 and name HA ) (resid 8 and name HN ) 2.5 0.7 0.5 ! B.46 at 2.63e+05 assign (resid 7 and name HB2 ) (resid 10 and name HB2 ) 4.0 2.2 2.0 ! A.785 at -2.35e+05 assign (resid 7 and name HB2 ) (resid 10 and name HB1 ) 4.0 2.2 1.2 ! A.799 at -6.35e+05 assign (resid 7 and name HN ) (resid 10 and name HB1 ) 2.5 0.7 0.5 ! B.42 at -4.86e+05 assign (resid 7 and name HN ) (resid 10 and name HB2 ) 3.0 1.2 0.3 ! B.41 at -4.13e+05 !!assign (resid 7 and name HB1 ) (resid 11 and name HD1# ) 4.0 2.2 2.5 ! A.786 at 3.87e+05 assign (resid 7 and name HA ) (resid 43 and name HA ) 3.0 1.2 1.0 ! A.833 at 1.68e+06 assign (resid 7 and name HB1 ) (resid 43 and name HA ) 4.0 2.2 1.0 ! A.57 at 1.67e+06 assign (resid 7 and name HB2 ) (resid 43 and name HA ) 4.0 2.2 1.0 ! A.789 at 9.78e+05 assign (resid 7 and name HA ) (resid 43 and name HN ) 4.0 2.2 1.0 ! B.494 at 2.36e+05 ! G8 assign (resid 8 and name HA2 ) (resid 8 and name HN ) 2.5 0.7 0.5 ! B.44 at 5.57e+05 assign (resid 8 and name HA1 ) (resid 8 and name HN ) 3.0 1.2 0.2 ! B.45 at 5.38e+05 assign (resid 8 and name HA2 ) (resid 10 and name HN ) 4.0 2.2 0.5 ! B.54 at 5.10e+05 assign (resid 8 and name HA1 ) (resid 10 and name HN ) 3.0 1.2 0.5 ! B.53 at 5.10e+05 !!assign (resid 8 and name HA2 ) (resid 11 and name HD1# ) 4.0 2.2 2.8 ! A.791 at -5.54e+05 !!assign (resid 8 and name HA1 ) (resid 39 and name HG2# ) 3.0 1.2 0.8 ! A.790 at -1.63e+06 !!assign (resid 8 and name HA2 ) (resid 39 and name HG2# ) 4.0 2.2 1.5 ! A.792 at -9.74e+05 assign (resid 8 and name HN ) (resid 43 and name HB2 ) 3.0 1.2 1.0 ! B.474 at -1.72e+06 assign (resid 8 and name HN ) (resid 43 and name HB1 ) 4.0 2.2 1.5 ! B.476 at -1.58e+05 ! S9 assign (resid 9 and name HB2 ) (resid 10 and name HN ) 3.0 1.2 0.2 ! B.60 at 1.09e+06 assign (resid 9 and name HB1 ) (resid 10 and name HN ) 3.0 1.2 1.0 ! B.59 at 6.31e+05 assign (resid 9 and name HA ) (resid 10 and name HN ) 3.0 1.2 1.0 ! B.58 at 5.07e+05 assign (resid 9 and name HA ) (resid 11 and name HN ) 4.0 2.2 1.0 ! B.420 at 2.46e+05 assign (resid 9 and name HA ) (resid 12 and name HG1# ) 3.0 1.2 1.8 ! A.802 at 5.33e+05 assign (resid 9 and name HA ) (resid 12 and name HG2# ) 3.0 1.2 0.3 ! A.94 at 1.18e+06 assign (resid 9 and name HA ) (resid 12 and name HB ) 3.0 1.2 0.3 ! A.92 at -1.37e+06 assign (resid 9 and name HA ) (resid 12 and name HN ) 3.0 1.2 1.0 ! B.73 at 8.05e+05 assign (resid 9 and name HA ) (resid 13 and name HN ) 3.0 1.2 1.0 ! B.93 at 3.64e+05 assign (resid 9 and name HA ) (resid 13 and name HG1 ) 3.0 1.2 1.5 ! A.885 at 4.78e+05 assign (resid 9 and name HB1 ) (resid 13 and name HG1 ) 3.0 1.2 0.5 ! A.884 at 1.45e+06 ! D10 assign (resid 10 and name HA ) (resid 10 and name HB1 ) 2.5 0.7 0.4 ! A.58 at -1.63e+06 assign (resid 10 and name HA ) (resid 10 and name HB2 ) 2.5 0.7 0.8 ! A.60 at -1.18e+06 assign (resid 10 and name HA ) (resid 10 and name HN ) 2.5 0.7 0.5 ! B.55 at 2.04e+06 assign (resid 10 and name HB1 ) (resid 10 and name HN ) 3.0 1.2 0.5 ! B.56 at -1.57e+06 assign (resid 10 and name HB2 ) (resid 10 and name HN ) 3.0 1.2 0.2 ! B.57 at -2.69e+06 assign (resid 10 and name HA ) (resid 11 and name HN ) 3.0 1.2 1.0 ! B.64 at 4.45e+05 assign (resid 10 and name HB1 ) (resid 11 and name HN ) 3.0 1.2 1.0 ! B.70 at -2.74e+05 assign (resid 10 and name HB2 ) (resid 11 and name HN ) 3.0 1.2 0.5 ! B.69 at -5.54e+05 assign (resid 10 and name HN ) (resid 11 and name HN ) 2.5 0.7 0.4 ! C.7 at -2.46e+06 !!!!assign (resid 10 and name HB2 ) (resid 13 and name HB# ) 4.0 2.2 2.5 ! A.771 at 3.42e+05 assign (resid 10 and name HA ) (resid 13 and name HB# ) 3.0 1.2 1.2 ! A.349 at -1.33e+06 assign (resid 10 and name HA ) (resid 13 and name HN ) 4.0 2.2 0.3 ! B.83 at 7.18e+05 assign (resid 10 and name HA ) (resid 14 and name HN ) 4.0 2.2 1.0 ! B.108 at 4.12e+05 !!assign (resid 10 and name HA ) (resid 26 and name HE1 ) 4.0 2.2 2.0 ! A.602 at -4.10e+05 ! L11 assign (resid 11 and name HA ) (resid 11 and name HB1 ) 3.0 1.2 0.7 ! A.67 at -9.65e+05 assign (resid 11 and name HA ) (resid 11 and name HB2 ) 2.5 0.7 0.4 ! A.75 at -1.09e+06 assign (resid 11 and name HA ) (resid 11 and name HD1# ) 2.5 0.7 0.7 ! A.688 at 4.15e+06 assign (resid 11 and name HB1 ) (resid 11 and name HD1# ) 3.0 1.2 0.8 ! A.685 at -1.25e+06 assign (resid 11 and name HB2 ) (resid 11 and name HD1# ) 3.0 1.2 0.8 ! A.684 at -1.71e+06 assign (resid 11 and name HD2# ) (resid 11 and name HB1 ) 3.0 1.2 0.8 ! A.69 at 2.12e+06 assign (resid 11 and name HD2# ) (resid 11 and name HB2 ) 3.0 1.2 0.8 ! A.74 at 1.73e+06 assign (resid 11 and name HD2# ) (resid 11 and name HA ) 3.0 1.2 1.5 ! A.62 at -1.33e+06 assign (resid 11 and name HA ) (resid 11 and name HG ) 4.0 2.2 1.0 ! A.77 at -7.21e+05 assign (resid 11 and name HD1# ) (resid 11 and name HN ) 4.0 2.2 1.0 ! B.68 at 4.08e+05 assign (resid 11 and name HD2# ) (resid 11 and name HN ) 4.0 2.2 1.5 ! B.62 at -3.35e+05 assign (resid 11 and name HG ) (resid 11 and name HN ) 4.0 2.2 1.0 ! B.61 at -5.77e+05 assign (resid 11 and name HA ) (resid 11 and name HN ) 2.5 0.7 0.5 ! B.63 at 1.15e+06 assign (resid 11 and name HB1 ) (resid 11 and name HN ) 3.0 1.2 0.2 ! B.65 at -1.80e+06 assign (resid 11 and name HB2 ) (resid 11 and name HN ) 3.0 1.2 0.2 ! B.508 at -1.36e+06 assign (resid 11 and name HA ) (resid 12 and name HN ) 3.0 1.2 1.0 ! B.72 at 4.58e+05 assign (resid 11 and name HB1 ) (resid 12 and name HN ) 3.0 1.2 1.0 ! B.75 at -6.67e+05 assign (resid 11 and name HB2 ) (resid 12 and name HN ) 3.0 1.2 1.0 ! B.76 at -3.40e+05 assign (resid 11 and name HN ) (resid 12 and name HN ) 2.5 0.7 0.4 ! C.8 at -1.78e+06 assign (resid 11 and name HD1# ) (resid 14 and name HB# ) 4.0 2.2 1.3 ! A.682 at 1.60e+06 assign (resid 11 and name HA ) (resid 14 and name HB# ) 3.0 1.2 0.8 ! A.622 at 1.58e+06 !!assign (resid 11 and name HG ) (resid 14 and name HB# ) 4.0 2.2 2.5 ! A.757 at -4.00e+05 assign (resid 11 and name HA ) (resid 14 and name HN ) 3.0 1.2 0.5 ! B.107 at 1.01e+06 assign (resid 11 and name HD1# ) (resid 15 and name HD1# ) 3.0 1.2 1.3 ! A.691 at -1.11e+06 assign (resid 11 and name HD1# ) (resid 15 and name HD2# ) 3.0 1.2 1.6 ! A.821 at -1.03e+06 assign (resid 11 and name HG ) (resid 15 and name HG ) 2.5 0.7 0.5 ! A.78 at 1.95e+07 assign (resid 11 and name HD1# ) (resid 15 and name HG ) 2.5 0.7 0.2 ! A.823 at 1.00e+06 assign (resid 11 and name HD2# ) (resid 15 and name HD2# ) 4.0 2.2 1.8 ! A.399 at 1.12e+06 assign (resid 11 and name HG ) (resid 15 and name HD1# ) 3.0 1.2 0.5 ! A.640 at 1.35e+06 assign (resid 11 and name HG ) (resid 15 and name HD2# ) 4.0 2.2 1.0 ! A.822 at 1.02e+05 assign (resid 11 and name HG ) (resid 15 and name HN ) 3.0 1.2 1.0 ! B.515 at 4.58e+05 assign (resid 11 and name HD1# ) (resid 15 and name HN ) 4.0 2.2 0.5 ! B.477 at 4.92e+05 assign (resid 11 and name HG ) (resid 26 and name HE1 ) 3.0 1.2 1.0 ! A.599 at 3.50e+05 assign (resid 11 and name HD2# ) (resid 26 and name HE1 ) 3.0 1.2 0.8 ! A.597 at 1.52e+06 !!assign (resid 11 and name HD2# ) (resid 37 and name HA1 ) 4.0 2.2 2.5 ! A.698 at 5.36e+05 assign (resid 11 and name HD1# ) (resid 38 and name HD1# ) 4.0 2.2 0.5 ! A.686 at 1.02e+06 assign (resid 11 and name HD1# ) (resid 38 and name HG2# ) 4.0 2.2 1.7 ! A.235 at 1.11e+06 assign (resid 11 and name HD1# ) (resid 38 and name HG11 ) 4.0 2.2 1.0 ! A.690 at -3.22e+05 assign (resid 11 and name HD1# ) (resid 38 and name HG12 ) 4.0 2.2 2.0 ! A.689 at -4.02e+05 assign (resid 11 and name HD2# ) (resid 38 and name HG2# ) 3.0 1.2 1.3 ! A.238 at -2.18e+06 assign (resid 11 and name HG ) (resid 38 and name HD1# ) 4.0 2.2 1.5 ! A.644 at -3.14e+05 assign (resid 11 and name HD2# ) (resid 38 and name HD1# ) 4.0 2.2 1.0 ! A.643 at -9.04e+05 assign (resid 11 and name HD2# ) (resid 38 and name HG12 ) 4.0 2.2 0.7 ! A.321 at 5.33e+06 assign (resid 11 and name HD2# ) (resid 39 and name HG2# ) 3.0 1.2 1.5 ! A.336 at -2.31e+06 assign (resid 11 and name HD2# ) (resid 39 and name HA ) 4.0 2.2 0.5 ! A.697 at -3.13e+05 assign (resid 11 and name HD2# ) (resid 39 and name HG1# ) 4.0 2.2 1.5 ! A.85 at -1.69e+06 assign (resid 11 and name HD1# ) (resid 52 and name HD2# ) 2.5 0.7 1.2 ! A.692 at -4.30e+06 assign (resid 11 and name HD1# ) (resid 52 and name HD1# ) 3.0 1.2 1.3 ! A.694 at -3.32e+06 assign (resid 11 and name HD2# ) (resid 52 and name HD2# ) 3.0 1.2 1.5 ! A.436 at 5.32e+07 !!assign (resid 11 and name HD2# ) (resid 52 and name HG ) 4.0 2.2 3.0 ! A.700 at 5.34e+05 !!!!!!assign (resid 11 and name HD2# ) (resid 55 and name HD2 ) 4.0 2.2 0.5 ! A.711 at 7.92e+05 ! V12 assign (resid 12 and name HA ) (resid 11 and name HB ) 2.5 0.7 0.7 ! A.93 at -1.04e+06 assign (resid 12 and name HG2# ) (resid 12 and name HA ) 3.0 1.2 0.2 ! A.91 at 3.50e+06 assign (resid 12 and name HG1# ) (resid 12 and name HA ) 3.0 1.2 0.2 ! A.90 at 3.27e+06 assign (resid 12 and name HG2# ) (resid 12 and name HN ) 3.0 1.2 0.5 ! B.77 at 2.54e+06 assign (resid 12 and name HG1# ) (resid 12 and name HN ) 4.0 2.2 1.5 ! B.78 at 5.84e+05 assign (resid 12 and name HA ) (resid 12 and name HN ) 2.5 0.7 0.4 ! B.74 at 1.19e+06 assign (resid 12 and name HB ) (resid 12 and name HN ) 3.0 1.2 0.5 ! B.71 at -1.87e+06 assign (resid 12 and name HG2# ) (resid 13 and name HN ) 4.0 2.2 1.0 ! B.96 at 6.50e+05 assign (resid 12 and name HG1# ) (resid 13 and name HN ) 3.0 1.2 1.0 ! B.95 at 1.10e+06 assign (resid 12 and name HA ) (resid 13 and name HN ) 3.0 1.2 1.0 ! B.88 at 4.56e+05 assign (resid 12 and name HB ) (resid 13 and name HN ) 3.0 1.2 0.5 ! B.86 at -2.28e+06 assign (resid 12 and name HN ) (resid 13 and name HN ) 2.5 0.7 0.7 ! C.11 at -9.09e+05 assign (resid 12 and name HA ) (resid 14 and name HN ) 3.0 1.2 1.3 ! B.510 at 2.11e+05 assign (resid 12 and name HB ) (resid 14 and name HN ) 4.0 2.2 1.0 ! B.511 at -2.08e+05 assign (resid 12 and name HG1# ) (resid 14 and name HN ) 4.0 2.2 2.0 ! B.512 at 1.71e+05 assign (resid 12 and name HG1# ) (resid 15 and name HB1 ) 4.0 2.2 2.3 ! A.290 at -2.79e+06 assign (resid 12 and name HA ) (resid 15 and name HD1# ) 3.0 1.2 1.2 ! A.246 at -7.82e+05 assign (resid 12 and name HA ) (resid 15 and name HN ) 3.0 1.2 0.5 ! B.115 at 1.20e+06 !!assign (resid 12 and name HG1# ) (resid 16 and name HD2 ) 3.0 1.2 0.8 ! A.104 at -2.09e+06 !!assign (resid 12 and name HG1# ) (resid 16 and name HE1 ) 3.0 1.2 0.8 ! A.105 at -1.76e+06 !!assign (resid 12 and name HG1# ) (resid 16 and name HB# ) 4.0 2.2 3.0 ! A.299 at -5.71e+05 assign (resid 12 and name HA ) (resid 16 and name HN ) 4.0 2.2 0.5 ! B.133 at 2.96e+05 assign (resid 12 and name HG1# ) (resid 16 and name HN ) 4.0 2.2 1.0 ! B.520 at 3.73e+05 assign (resid 12 and name HG2# ) (resid 16 and name HN ) 4.0 2.2 2.8 ! B.481 at 2.22e+05 !!assign (resid 12 and name HG1# ) (resid 17 and name HD2# ) 2.5 0.7 1.2 ! A.107 at -5.34e+06 assign (resid 12 and name HG1# ) (resid 24 and name HZ ) 3.0 1.2 0.2 ! A.99 at -1.15e+06 assign (resid 12 and name HG1# ) (resid 24 and name HE2 ) 3.0 1.2 1.2 ! A.761 at -1.15e+06 assign (resid 12 and name HG2# ) (resid 24 and name HE2 ) 4.0 2.2 0.6 ! A.803 at -4.02e+05 assign (resid 12 and name HG2# ) (resid 26 and name HB# ) 4.0 2.2 1.3 ! A.588 at -4.19e+05 assign (resid 12 and name HG2# ) (resid 26 and name HD1 ) 3.0 1.2 0.5 ! A.856 at -3.81e+05 assign (resid 12 and name HG2# ) (resid 26 and name HE1 ) 3.0 1.2 0.3 ! A.601 at -9.29e+05 assign (resid 12 and name HG2# ) (resid 26 and name HE2 ) 4.0 2.2 1.5 ! A.854 at -9.29e+05 assign (resid 12 and name HN ) (resid 26 and name HD1 ) 3.0 1.2 1.5 ! B.80 at -1.42e+06 assign (resid 12 and name HN ) (resid 24 and name HZ ) 4.0 2.2 2.0 ! B.395 at -3.45e+05 ! E13 assign (resid 13 and name HA ) (resid 13 and name HB# ) 2.5 0.7 0.3 ! A.182 at 4.01e+06 assign (resid 13 and name HA ) (resid 13 and name HG2 ) 3.0 1.2 0.5 ! A.883 at 1.15e+06 assign (resid 13 and name HA ) (resid 13 and name HG2 ) 2.5 0.7 0.5 ! A.881 at 9.89e+05 assign (resid 13 and name HA ) (resid 13 and name HN ) 2.5 0.7 0.5 ! B.84 at 1.98e+06 assign (resid 13 and name HB# ) (resid 13 and name HN ) 2.5 0.7 0.6 ! B.82 at -5.38e+06 assign (resid 13 and name HG2 ) (resid 13 and name HN ) 3.0 1.2 0.2 ! B.85 at -1.47e+06 assign (resid 13 and name HG1 ) (resid 13 and name HN ) 3.0 1.2 1.0 ! B.100 at -1.47e+06 assign (resid 13 and name HB# ) (resid 14 and name HB# ) 4.0 2.2 1.5 ! A.632 at -4.76e+05 assign (resid 13 and name HA ) (resid 14 and name HN ) 3.0 1.2 0.5 ! B.106 at 1.07e+06 assign (resid 13 and name HG2 ) (resid 14 and name HN ) 4.0 2.2 1.0 ! B.109 at -5.42e+05 assign (resid 13 and name HG1 ) (resid 14 and name HN ) 4.0 2.2 1.0 ! B.110 at -5.42e+05 assign (resid 13 and name HB# ) (resid 14 and name HN ) 3.0 1.2 0.5 ! B.104 at -3.34e+06 assign (resid 13 and name HN ) (resid 14 and name HB# ) 4.0 2.2 1.8 ! B.94 at 2.57e+05 assign (resid 13 and name HN ) (resid 14 and name HN ) 2.5 0.7 0.4 ! C.14 at -4.67e+06 assign (resid 13 and name HA ) (resid 15 and name HN ) 4.0 2.2 1.0 ! B.478 at 2.70e+05 assign (resid 13 and name HA ) (resid 16 and name HD1 ) 3.0 1.2 1.3 ! A.101 at -1.27e+06 assign (resid 13 and name HA ) (resid 16 and name HB# ) 3.0 1.2 1.0 ! A.293 at -2.10e+06 assign (resid 13 and name HA ) (resid 16 and name HN ) 3.0 1.2 1.0 ! B.127 at 8.63e+05 assign (resid 13 and name HB# ) (resid 16 and name HN ) 4.0 2.2 1.5 ! B.138 at -2.96e+05 !!assign (resid 13 and name HG1 ) (resid 29 and name HB1 ) 4.0 2.2 1.0 ! A.568 at -9.29e+05 ! A14 assign (resid 14 and name HA ) (resid 14 and name HB ) 2.5 0.7 0.3 ! A.621 at 6.17e+06 assign (resid 14 and name HA ) (resid 14 and name HN ) 2.5 0.7 0.5 ! B.103 at 3.13e+06 assign (resid 14 and name HB# ) (resid 14 and name HN ) 2.5 0.7 0.5 ! B.105 at 9.24e+06 assign (resid 14 and name HB# ) (resid 15 and name HG ) 4.0 2.2 1.0 ! A.284 at -4.57e+05 assign (resid 14 and name HB# ) (resid 15 and name HD2# ) 4.0 2.2 3.0 ! A.280 at -6.07e+05 assign (resid 14 and name HB# ) (resid 15 and name HN ) 3.0 1.2 1.0 ! B.117 at 3.96e+06 assign (resid 14 and name HA ) (resid 15 and name HN ) 3.0 1.2 1.0 ! B.113 at 8.75e+05 assign (resid 14 and name HN ) (resid 15 and name HN ) 2.5 0.7 0.4 ! C.15 at -3.43e+06 assign (resid 14 and name HA ) (resid 16 and name HD1 ) 4.0 2.2 2.0 ! A.637 at -6.69e+05 assign (resid 14 and name HB# ) (resid 16 and name HN ) 4.0 2.2 1.5 ! B.132 at 3.64e+05 assign (resid 14 and name HA ) (resid 16 and name HN ) 4.0 2.2 1.0 ! B.125 at 3.14e+05 assign (resid 14 and name HN ) (resid 16 and name HN ) 3.0 1.2 1.0 ! A.128 at -7.32e+05 assign (resid 14 and name HA ) (resid 17 and name HB1 ) 4.0 2.2 1.5 ! A.122 at -9.91e+05 assign (resid 14 and name HA ) (resid 17 and name HB2 ) 3.0 1.2 1.0 ! A.128 at -7.31e+05 !!assign (resid 14 and name HB# ) (resid 17 and name HD2# ) 4.0 2.2 3.0 ! A.758 at -6.21e+05 assign (resid 14 and name HB# ) (resid 17 and name HD1# ) 4.0 2.2 1.6 ! A.628 at -6.21e+05 assign (resid 14 and name HA ) (resid 17 and name HD1# ) 3.0 1.2 1.0 ! A.635 at -7.16e+05 assign (resid 14 and name HN ) (resid 17 and name HD1# ) 4.0 2.2 1.0 ! B.509 at -2.14e+05 !!assign (resid 14 and name HA ) (resid 18 and name HG1# ) 4.0 2.2 3.0 ! A.619 at 3.80e+05 !!assign (resid 14 and name HB# ) (resid 18 and name HG1# ) 3.0 1.2 1.3 ! A.135 at 1.06e+06 assign (resid 14 and name HB# ) (resid 18 and name HG2# ) 4.0 2.2 1.5 ! A.756 at 3.15e+05 assign (resid 14 and name HA ) (resid 18 and name HN ) 4.0 2.2 0.3 ! B.158 at 3.37e+05 assign (resid 14 and name HB# ) (resid 49 and name HD2# ) 4.0 2.2 1.5 ! A.629 at -2.49e+06 assign (resid 14 and name HB# ) (resid 52 and name HD1# ) 3.0 1.2 1.0 ! A.631 at -4.04e+06 assign (resid 14 and name HB# ) (resid 52 and name HD2# ) 4.0 2.2 1.8 ! A.630 at -1.43e+06 ! L15 assign (resid 15 and name HA ) (resid 15 and name HB2 ) 3.0 1.2 1.0 ! A.288 at 3.18e+05 assign (resid 15 and name HD1# ) (resid 15 and name HB1 ) 3.0 1.2 1.0 ! A.289 at 5.65e+05 assign (resid 15 and name HD2# ) (resid 15 and name HB2 ) 3.0 1.2 1.0 ! A.286 at 5.30e+05 assign (resid 15 and name HD1# ) (resid 15 and name HB2 ) 3.0 1.2 0.5 ! A.287 at 4.74e+05 assign (resid 15 and name HA ) (resid 15 and name HG ) 4.0 2.2 1.0 ! A.283 at -7.72e+05 assign (resid 15 and name HA ) (resid 15 and name HD1# ) 4.0 2.2 1.0 ! A.258 at -5.02e+05 assign (resid 15 and name HB1 ) (resid 15 and name HD2# ) 3.0 1.2 0.5 ! A.271 at 6.61e+05 assign (resid 15 and name HA ) (resid 15 and name HD2# ) 2.5 0.7 0.7 ! A.279 at -5.58e+06 assign (resid 15 and name HA ) (resid 15 and name HN ) 2.5 0.7 0.5 ! B.114 at 1.86e+06 assign (resid 15 and name HB2 ) (resid 15 and name HN ) 2.5 0.7 0.5 ! B.118 at -1.56e+06 assign (resid 15 and name HB1 ) (resid 15 and name HN ) 3.0 1.2 1.0 ! B.119 at -8.69e+05 assign (resid 15 and name HG ) (resid 15 and name HN ) 3.0 1.2 0.5 ! B.120 at -2.92e+06 assign (resid 15 and name HD2# ) (resid 15 and name HN ) 3.0 1.2 1.6 ! B.121 at -1.06e+06 assign (resid 15 and name HD1# ) (resid 15 and name HN ) 3.0 1.2 1.2 ! B.122 at -1.14e+06 assign (resid 15 and name HA ) (resid 16 and name HN ) 3.0 1.2 1.0 ! B.128 at 4.98e+05 assign (resid 15 and name HG ) (resid 16 and name HN ) 4.0 2.2 1.0 ! B.483 at -6.72e+05 assign (resid 15 and name HD1# ) (resid 16 and name HN ) 4.0 2.2 2.0 ! B.136 at -5.39e+05 assign (resid 15 and name HD2# ) (resid 16 and name HN ) 4.0 2.2 2.0 ! B.135 at -4.10e+05 assign (resid 15 and name HB2 ) (resid 16 and name HN ) 3.0 1.2 0.5 ! B.130 at -4.63e+05 assign (resid 15 and name HB1 ) (resid 16 and name HN ) 3.0 1.2 1.0 ! B.131 at -2.22e+05 assign (resid 15 and name HN ) (resid 16 and name HN ) 2.5 0.7 0.4 ! C.21 at -7.39e+06 !!assign (resid 15 and name HB1 ) (resid 17 and name HD2# ) 3.0 1.2 0.8 ! A.164 at -2.67e+06 assign (resid 15 and name HA ) (resid 18 and name HG1# ) 4.0 2.2 1.0 ! A.130 at 1.59e+06 assign (resid 15 and name HB1 ) (resid 18 and name HG2# ) 4.0 2.2 1.7 ! A.143 at 2.09e+06 assign (resid 15 and name HB1 ) (resid 18 and name HG1# ) 4.0 2.2 1.8 ! A.291 at -2.08e+06 assign (resid 15 and name HD2# ) (resid 18 and name HB ) 4.0 2.2 0.5 ! A.262 at 8.85e+05 assign (resid 15 and name HA ) (resid 18 and name HB ) 3.0 1.2 0.3 ! A.148 at -1.51e+06 assign (resid 15 and name HD2# ) (resid 18 and name HG1# ) 4.0 2.2 1.0 ! A.282 at -1.16e+06 assign (resid 15 and name HD2# ) (resid 18 and name HG2# ) 4.0 2.2 1.5 ! A.281 at -9.62e+05 assign (resid 15 and name HA ) (resid 18 and name HN ) 3.0 1.2 0.8 ! B.149 at 1.01e+06 assign (resid 15 and name HA ) (resid 19 and name HN ) 3.0 1.2 0.5 ! B.161 at 9.86e+05 assign (resid 15 and name HD2# ) (resid 19 and name HN ) 4.0 2.2 1.2 ! B.485 at 3.34e+05 assign (resid 15 and name HD1# ) (resid 24 and name HE2 ) 3.0 1.2 1.0 ! A.252 at 2.74e+05 assign (resid 15 and name HD1# ) (resid 24 and name HD2 ) 3.0 1.2 1.0 ! A.253 at 7.27e+05 assign (resid 15 and name HD2# ) (resid 24 and name HB1 ) 4.0 2.2 1.5 ! A.275 at 3.18e+05 assign (resid 15 and name HD2# ) (resid 24 and name HB2 ) 4.0 2.2 1.0 ! A.274 at 4.85e+05 assign (resid 15 and name HD2# ) (resid 24 and name HD2 ) 4.0 2.2 1.5 ! A.259 at 4.17e+05 assign (resid 15 and name HN ) (resid 24 and name HZ ) 4.0 2.2 1.3 ! B.516 at -1.30e+05 assign (resid 15 and name HD1# ) (resid 26 and name HE1 ) 4.0 2.2 0.2 ! A.251 at 4.31e+05 assign (resid 15 and name HD1# ) (resid 26 and name HD1 ) 3.0 2.2 0.6 ! A.254 at 4.90e+05 assign (resid 15 and name HD2# ) (resid 38 and name HD1# ) 4.0 2.2 1.3 ! A.310 at -1.37e+06 assign (resid 15 and name HD1# ) (resid 38 and name HD1# ) 4.0 2.2 0.8 ! A.306 at -1.20e+06 assign (resid 15 and name HD1# ) (resid 38 and name HG2# ) 4.0 2.2 1.5 ! A.256 at -4.16e+06 assign (resid 15 and name HG ) (resid 52 and name HD1# ) 3.0 1.2 1.2 ! A.457 at 4.64e+05 assign (resid 15 and name HG ) (resid 52 and name HD2# ) 3.0 2.2 1.0 ! A.452 at 6.51e+05 assign (resid 15 and name HD2# ) (resid 52 and name HD2# ) 3.0 1.2 1.2 ! A.450 at 1.79e+07 assign (resid 15 and name HD2# ) (resid 52 and name HB1 ) 3.0 1.2 0.5 ! A.272 at 9.92e+05 assign (resid 15 and name HD2# ) (resid 52 and name HB2 ) 4.0 2.2 1.0 ! A.668 at 4.65e+05 assign (resid 15 and name HD2# ) (resid 52 and name HG ) 4.0 2.2 1.5 ! A.263 at 9.21e+05 assign (resid 15 and name HD2# ) (resid 52 and name HA ) 4.0 2.2 1.5 ! A.278 at -7.10e+05 assign (resid 15 and name HG ) (resid 52 and name HN ) 4.0 2.2 2.5 ! B.402 at -2.09e+05 assign (resid 15 and name HN ) (resid 52 and name HD1# ) 4.0 2.2 2.5 ! B.123 at -3.30e+05 assign (resid 15 and name HD1# ) (resid 55 and name HD2 ) 4.0 2.2 1.5 ! A.715 at 1.37e+06 assign (resid 15 and name HD2# ) (resid 55 and name HD2 ) 3.0 1.2 1.2 ! A.709 at 2.10e+06 assign (resid 15 and name HD2# ) (resid 55 and name HB1 ) 4.0 2.2 1.0 ! A.465 at 8.87e+05 assign (resid 15 and name HD2# ) (resid 55 and name HB2 ) 3.0 1.2 0.8 ! A.277 at 1.21e+06 assign (resid 15 and name HD2# ) (resid 55 and name HE2 ) 4.0 2.2 2.0 ! A.261 at 3.61e+05 assign (resid 15 and name HD2# ) (resid 55 and name HN ) 4.0 2.2 0.5 ! B.87 at -9.13e+05 ! Y16 assign (resid 16 and name HA ) (resid 16 and name HB# ) 2.5 0.7 0.5 ! A.294 at -2.75e+06 assign (resid 16 and name HB# ) (resid 16 and name HD1 ) 2.5 0.7 0.7 ! A.103 at 4.43e+06 assign (resid 16 and name HB# ) (resid 16 and name HD2 ) 2.5 0.7 0.7 ! A.102 at 4.43e+06 assign (resid 16 and name HA ) (resid 16 and name HD1 ) 3.0 1.2 1.3 ! A.100 at -2.02e+06 assign (resid 16 and name HA ) (resid 16 and name HD2 ) 2.5 0.7 0.4 ! A.810 at -2.02e+06 assign (resid 16 and name HA ) (resid 16 and name HN ) 2.5 0.7 0.5 ! B.124 at -1.58e+06 assign (resid 16 and name HB# ) (resid 16 and name HN ) 2.5 0.7 0.3 ! B.126 at -5.68e+06 assign (resid 16 and name HD1 ) (resid 16 and name HN ) 4.0 2.2 1.0 ! B.129 at -8.35e+05 assign (resid 16 and name HD2 ) (resid 16 and name HN ) 4.0 2.2 1.0 ! B.479 at -8.35e+05 assign (resid 16 and name HD1 ) (resid 17 and name HD1# ) 3.0 1.2 0.8 ! A.716 at 1.28e+06 assign (resid 16 and name HD1 ) (resid 17 and name HA ) 3.0 1.2 1.0 ! A.111 at -1.19e+06 assign (resid 16 and name HB# ) (resid 17 and name HD1# ) 4.0 2.2 1.0 ! A.298 at 5.48e+05 !!assign (resid 16 and name HE1 ) (resid 17 and name HD2# ) 4.0 2.2 2.5 ! A.304 at 4.96e+05 assign (resid 16 and name HD1 ) (resid 17 and name HD2# ) 4.0 2.2 1.5 ! A.121 at 6.08e+05 assign (resid 16 and name HA ) (resid 17 and name HN ) 3.0 1.2 1.0 ! B.147 at 3.08e+05 assign (resid 16 and name HB# ) (resid 17 and name HN ) 3.0 1.2 1.0 ! B.141 at -4.96e+05 assign (resid 16 and name HN ) (resid 17 and name HN ) 2.5 0.7 0.4 ! C.23 at -6.18e+05 assign (resid 16 and name HA ) (resid 19 and name HN ) 3.0 1.2 1.0 ! B.164 at 5.94e+05 assign (resid 16 and name HA ) (resid 20 and name HN ) 3.0 1.2 1.0 ! B.174 at 3.20e+05 assign (resid 16 and name HD2 ) (resid 20 and name HN ) 4.0 2.2 1.0 ! B.490 at -1.79e+05 !!assign (resid 16 and name HD1 ) (resid 24 and name HE1 ) 4.0 2.2 2.0 ! A.300 at 4.37e+05 assign (resid 16 and name HD2 ) (resid 24 and name HE1 ) 3.0 1.2 0.5 ! A.300 at 4.37e+05 assign (resid 16 and name HE2 ) (resid 24 and name HE1 ) 4.0 2.2 1.5 ! A.108 at 9.63e+06 assign (resid 16 and name HA ) (resid 24 and name HE1 ) 3.0 1.2 0.2 ! A.212 at -7.13e+05 !!assign (resid 16 and name HE1 ) (resid 24 and name HZ ) 4.0 2.2 2.0 ! A.302 at 5.29e+05 !!assign (resid 16 and name HE1 ) (resid 25 and name HE1 ) 3.0 1.2 0.3 ! A.223 at 1.05e+06 !!assign (resid 16 and name HE1 ) (resid 26 and name HD1 ) 3.0 1.2 0.3 ! A.303 at 2.32e+06 assign (resid 16 and name HN ) (resid 24 and name HE1 ) 3.0 1.2 0.8 ! B.480 at 3.59e+05 assign (resid 16 and name HN ) (resid 24 and name HE2 ) 4.0 2.2 1.5 ! B.518 at 3.59e+05 assign (resid 16 and name HN ) (resid 24 and name HZ ) 3.0 1.2 1.0 ! B.482 at 3.59e+05 ! L17 assign (resid 17 and name HA ) (resid 17 and name HB1 ) 2.5 0.7 0.8 ! A.123 at -2.02e+06 assign (resid 17 and name HA ) (resid 17 and name HB2 ) 2.5 0.7 0.8 ! A.127 at -2.08e+06 assign (resid 17 and name HD2# ) (resid 17 and name HB2 ) 3.0 1.2 0.8 ! A.162 at 1.88e+06 assign (resid 17 and name HD1# ) (resid 17 and name HB2 ) 3.0 1.2 0.8 ! A.161 at 1.85e+06 assign (resid 17 and name HD1# ) (resid 17 and name HB1 ) 3.0 1.2 0.8 ! A.125 at 2.37e+06 assign (resid 17 and name HD2# ) (resid 17 and name HB1 ) 3.0 1.2 0.8 ! A.126 at 1.42e+06 assign (resid 17 and name HD1# ) (resid 17 and name HA ) 3.0 1.2 1.2 ! A.154 at -2.90e+06 assign (resid 17 and name HG ) (resid 17 and name HA ) 4.0 2.2 1.0 ! A.155 at -9.56e+05 assign (resid 17 and name HA ) (resid 17 and name HD2# ) 3.0 1.2 1.5 ! A.116 at -4.02e+06 assign (resid 17 and name HA ) (resid 17 and name HN ) 2.5 0.7 0.5 ! B.140 at -5.21e+05 assign (resid 17 and name HG ) (resid 17 and name HN ) 3.0 1.2 0.5 ! B.143 at -5.59e+05 assign (resid 17 and name HB2 ) (resid 17 and name HN ) 3.0 1.2 0.2 ! B.145 at -1.00e+06 assign (resid 17 and name HB1 ) (resid 17 and name HN ) 3.0 1.2 0.5 ! B.146 at -1.00e+06 assign (resid 17 and name HD1# ) (resid 18 and name HG2# ) 4.0 2.2 2.0 ! A.169 at -4.47e+06 assign (resid 17 and name HN ) (resid 18 and name HG2# ) 4.0 2.2 1.5 ! B.144 at 3.73e+05 assign (resid 17 and name HA ) (resid 18 and name HN ) 3.0 1.2 1.0 ! B.148 at 6.67e+05 assign (resid 17 and name HG ) (resid 18 and name HN ) 4.0 2.2 1.0 ! B.156 at -7.33e+05 assign (resid 17 and name HB1 ) (resid 18 and name HN ) 3.0 1.2 0.5 ! B.152 at -1.17e+06 assign (resid 17 and name HB2 ) (resid 18 and name HN ) 3.0 1.2 0.2 ! B.153 at -2.08e+06 assign (resid 17 and name HD1# ) (resid 18 and name HN ) 4.0 2.2 0.8 ! B.157 at -4.02e+05 assign (resid 17 and name HD2# ) (resid 18 and name HN ) 4.0 2.2 1.3 ! B.484 at -3.87e+05 assign (resid 17 and name HN ) (resid 18 and name HN ) 3.0 1.2 0.5 ! C.24 at -3.69e+05 assign (resid 17 and name HB1 ) (resid 19 and name HN ) 4.0 2.2 2.0 ! B.169 at -3.29e+05 assign (resid 17 and name HB2 ) (resid 19 and name HN ) 4.0 2.2 1.5 ! B.486 at -3.29e+05 !!assign (resid 17 and name HD1# ) (resid 25 and name HE2 ) 4.0 2.2 2.5 ! A.163 at 5.49e+05 !!!assign (resid 17 and name HB1 ) (resid 49 and name HD1# ) 4.0 2.2 2.0 ! A.391 at 6.37e+05 !!!assign (resid 17 and name HB1 ) (resid 49 and name HD2# ) 4.0 2.2 2.5 ! A.736 at 2.91e+05 ! V18 assign (resid 18 and name HA ) (resid 18 and name HB ) 2.5 0.7 0.8 ! A.147 at -2.09e+06 assign (resid 18 and name HA ) (resid 18 and name HG1# ) 2.5 0.7 0.7 ! A.131 at 6.48e+06 assign (resid 18 and name HA ) (resid 18 and name HG2# ) 2.5 0.7 0.7 ! A.144 at 4.48e+06 assign (resid 18 and name HG1# ) (resid 18 and name HN ) 3.0 1.2 1.5 ! B.154 at 2.15e+06 assign (resid 18 and name HG2# ) (resid 18 and name HN ) 3.0 1.2 0.2 ! B.155 at 5.90e+06 assign (resid 18 and name HA ) (resid 18 and name HN ) 2.5 0.7 0.5 ! B.150 at 2.35e+06 assign (resid 18 and name HB ) (resid 18 and name HN ) 2.5 0.7 0.4 ! B.151 at -4.49e+06 assign (resid 18 and name HG2# ) (resid 19 and name HA ) 4.0 2.2 2.5 ! A.167 at 6.55e+05 assign (resid 18 and name HG1# ) (resid 19 and name HN ) 3.0 1.2 1.2 ! B.167 at 2.01e+06 assign (resid 18 and name HG2# ) (resid 19 and name HN ) 4.0 2.2 1.0 ! B.166 at 2.20e+06 assign (resid 18 and name HA ) (resid 19 and name HN ) 3.0 1.2 0.5 ! B.165 at 1.27e+06 assign (resid 18 and name HB ) (resid 19 and name HN ) 2.5 0.7 0.5 ! B.168 at -3.40e+06 assign (resid 18 and name HN ) (resid 19 and name HN ) 2.5 0.7 0.4 ! C.26 at -2.63e+06 assign (resid 18 and name HA ) (resid 20 and name HN ) 4.0 2.2 1.0 ! B.489 at 1.55e+05 assign (resid 18 and name HB ) (resid 20 and name HN ) 4.0 2.2 0.5 ! B.521 at -2.53e+05 assign (resid 18 and name HG1#) (resid 20 and name HN ) 4.0 2.2 1.8 ! B.522 at -2.35e+05 assign (resid 18 and name HA ) (resid 49 and name HD1# ) 4.0 2.2 1.3 ! A.390 at -4.95e+05 assign (resid 18 and name HG1# ) (resid 49 and name HB# ) 4.0 2.2 1.0 ! A.754 at -5.57e+05 assign (resid 18 and name HG1# ) (resid 49 and name HA ) 4.0 2.2 1.0 ! A.749 at 6.46e+05 !!assign (resid 18 and name HG1# ) (resid 49 and name HD1# ) 4.0 4.2 2.5 ! A.739 at -2.21e+06 assign (resid 18 and name HG1# ) (resid 49 and name HD2# ) 4.0 4.2 2.0 ! A.735 at -2.11e+06 assign (resid 18 and name HG2# ) (resid 49 and name HB# ) 4.0 2.2 0.5 ! A.305 at -6.53e+05 assign (resid 18 and name HG2# ) (resid 49 and name HD1# ) 3.0 1.2 1.5 ! A.812 at -4.47e+06 assign (resid 18 and name HG2# ) (resid 49 and name HD2# ) 4.0 2.2 1.8 ! A.734 at -2.31e+06 assign (resid 18 and name HG2# ) (resid 49 and name HN ) 4.0 2.2 2.0 ! B.343 at 5.13e+05 assign (resid 18 and name HB ) (resid 52 and name HB2 ) 3.0 1.2 1.0 ! A.421 at 1.93e+06 assign (resid 18 and name HB ) (resid 52 and name HD1# ) 4.0 2.2 1.5 ! A.669 at 3.73e+05 assign (resid 18 and name HG1# ) (resid 52 and name HA ) 4.0 2.2 1.0 ! A.830 at 8.97e+05 assign (resid 18 and name HG1# ) (resid 52 and name HB1 ) 4.0 2.2 1.0 ! A.134 at -6.77e+05 assign (resid 18 and name HG1# ) (resid 52 and name HB2 ) 3.0 1.2 1.0 ! A.133 at -1.89e+06 assign (resid 18 and name HG1# ) (resid 52 and name HG ) 4.0 2.2 1.8 ! A.618 at -1.11e+06 assign (resid 18 and name HG1# ) (resid 52 and name HD1# ) 4.0 2.2 1.8 ! A.398 at -2.96e+06 !!!assign (resid 18 and name HG1# ) (resid 52 and name HD2# ) 4.0 2.2 2.5 ! A.451 at -1.46e+06 assign (resid 18 and name HG2# ) (resid 52 and name HD1# ) 3.0 1.2 1.3 ! A.437 at -1.16e+06 assign (resid 18 and name HG2# ) (resid 52 and name HD2# ) 4.0 2.2 1.8 ! A.446 at -1.13e+06 assign (resid 18 and name HG2# ) (resid 52 and name HG ) 4.0 2.2 1.5 ! A.170 at -8.94e+05 assign (resid 18 and name HG2# ) (resid 52 and name HB1 ) 3.0 1.2 0.6 ! A.141 at -9.66e+05 assign (resid 18 and name HG2# ) (resid 52 and name HB2 ) 3.0 1.2 0.5 ! A.140 at -1.37e+06 assign (resid 18 and name HG1# ) (resid 52 and name HN ) 4.0 2.2 1.8 ! B.401 at 2.21e+05 assign (resid 18 and name HG2# ) (resid 52 and name HN ) 4.0 2.2 1.5 ! B.365 at 6.28e+05 assign (resid 18 and name HG1# ) (resid 53 and name HB1 ) 4.0 2.2 1.0 ! A.617 at -5.49e+05 assign (resid 18 and name HG1# ) (resid 53 and name HG# ) 3.0 1.2 1.0 ! A.857 at -5.51e+05 assign (resid 18 and name HG1# ) (resid 53 and name HA ) 3.0 1.2 0.5 ! A.828 at 8.32e+06 assign (resid 18 and name HG2# ) (resid 53 and name HA ) 4.0 2.2 1.3 ! A.166 at 4.37e+06 assign (resid 18 and name HG2# ) (resid 53 and name HG# ) 4.0 2.2 1.8 ! A.168 at -2.68e+06 assign (resid 18 and name HG2# ) (resid 53 and name HB2 ) 4.0 2.2 1.5 ! A.138 at -2.46e+06 assign (resid 18 and name HG2# ) (resid 53 and name HN ) 4.0 2.2 1.5 ! B.373 at 2.92e+05 ! C19 assign (resid 19 and name HA ) (resid 19 and name HB1 ) 2.5 0.7 0.3 ! A.171 at -1.04e+06 assign (resid 19 and name HA ) (resid 19 and name HB2 ) 2.5 0.7 0.6 ! A.151 at -1.64e+06 assign (resid 19 and name HA ) (resid 19 and name HN ) 3.0 1.2 0.3 ! B.159 at -2.15e+06 assign (resid 19 and name HB1 ) (resid 19 and name HN ) 3.0 1.2 0.5 ! B.162 at -2.29e+06 assign (resid 19 and name HB2 ) (resid 19 and name HN ) 2.5 0.7 0.3 ! B.163 at -1.49e+06 assign (resid 19 and name HN ) (resid 20 and name HA2 ) 4.0 2.2 1.0 ! B.172 at 5.19e+05 assign (resid 19 and name HN ) (resid 20 and name HA1 ) 4.0 2.2 1.0 ! B.171 at 5.24e+05 assign (resid 19 and name HA ) (resid 20 and name HN ) 3.0 1.2 1.0 ! B.173 at 5.81e+05 assign (resid 19 and name HB1 ) (resid 20 and name HN ) 3.0 1.2 1.0 ! B.176 at -4.05e+05 assign (resid 19 and name HB2 ) (resid 20 and name HN ) 2.5 0.7 0.9 ! B.175 at -4.04e+05 assign (resid 19 and name HN ) (resid 20 and name HN ) 2.5 0.7 0.4 ! C.27 at -3.41e+06 assign (resid 19 and name HB2 ) (resid 22 and name HB2 ) 3.0 1.2 1.0 ! A.175 at 4.87e+05 assign (resid 19 and name HB1 ) (resid 22 and name HB2 ) 3.0 1.2 1.0 ! A.174 at 3.77e+05 assign (resid 19 and name HA ) (resid 22 and name HN ) 4.0 2.2 0.5 ! B.493 at 2.80e+05 assign (resid 19 and name HB1 ) (resid 22 and name HN ) 4.0 2.2 0.5 ! B.196 at -4.38e+05 assign (resid 19 and name HB2 ) (resid 22 and name HN ) 4.0 2.2 1.5 ! B.197 at -2.11e+05 assign (resid 19 and name HA ) (resid 23 and name HN ) 4.0 2.2 1.0 ! B.209 at 3.44e+05 assign (resid 19 and name HB2 ) (resid 23 and name HN ) 3.0 1.2 0.8 ! B.206 at -2.72e+05 assign (resid 19 and name HB1 ) (resid 23 and name HN ) 3.0 1.2 0.5 ! B.205 at -5.20e+05 assign (resid 19 and name HA ) (resid 24 and name HD1 ) 4.0 2.2 1.2 ! A.607 at -2.61e+06 assign (resid 19 and name HA ) (resid 24 and name HB1 ) 4.0 2.2 0.7 ! A.861 at -9.70e+05 assign (resid 19 and name HB1 ) (resid 24 and name HB2 ) 4.0 2.2 0.3 ! A.172 at 6.56e+05 assign (resid 19 and name HB1 ) (resid 24 and name HD1 ) 3.0 1.2 0.5 ! A.208 at 7.77e+05 assign (resid 19 and name HB1 ) (resid 24 and name HE1 ) 4.0 2.2 1.5 ! A.814 at 6.55e+05 assign (resid 19 and name HB2 ) (resid 24 and name HD1 ) 3.0 1.2 0.5 ! A.606 at 3.77e+05 assign (resid 19 and name HB2 ) (resid 24 and name HB1 ) 3.0 1.2 0.5 ! A.605 at 4.64e+05 !!!assign (resid 19 and name HB2 ) (resid 24 and name HD2 ) 4.0 2.2 2.0 ! A.176 at 5.80e+05 assign (resid 19 and name HN ) (resid 24 and name HD1 ) 4.0 2.2 1.0 ! B.487 at 2.13e+05 assign (resid 19 and name HA ) (resid 56 and name HB1 ) 2.5 0.7 0.7 ! A.898 at 9.70e+05 assign (resid 19 and name HB1 ) (resid 56 and name HB1 ) 2.5 0.7 0.3 ! A.899 at 9.39e+06 ! G20 assign (resid 20 and name HA2 ) (resid 20 and name HN ) 2.5 0.7 0.4 ! B.178 at 3.94e+06 assign (resid 20 and name HA1 ) (resid 20 and name HN ) 2.5 0.7 0.4 ! B.177 at 3.94e+06 assign (resid 20 and name HA1 ) (resid 21 and name HG# ) 4.0 2.2 0.8 ! A.887 at -6.52e+05 assign (resid 20 and name HA2 ) (resid 21 and name HG# ) 4.0 2.2 1.0 ! A.177 at -6.52e+05 assign (resid 20 and name HA2 ) (resid 21 and name HN ) 3.0 1.2 0.5 ! B.182 at 1.88e+06 assign (resid 20 and name HA1 ) (resid 21 and name HN ) 2.5 0.7 0.5 ! B.181 at 1.88e+06 assign (resid 20 and name HA1 ) (resid 22 and name HN ) 3.0 1.2 1.0 ! B.188 at 9.15e+05 assign (resid 20 and name HA2 ) (resid 22 and name HN ) 4.0 2.2 1.0 ! B.187 at 8.81e+05 assign (resid 20 and name HA1 ) (resid 23 and name HN ) 4.0 2.2 1.0 ! B.497 at 2.57e+05 assign (resid 20 and name HA2 ) (resid 23 and name HN ) 4.0 2.2 1.0 ! B.498 at 1.59e+05 ! E21 assign (resid 21 and name HA ) (resid 21 and name HB1 ) 2.5 0.7 0.3 ! A.181 at -4.47e+06 assign (resid 21 and name HA ) (resid 21 and name HB2 ) 2.5 0.7 0.7 ! A.183 at -3.61e+06 assign (resid 21 and name HA ) (resid 21 and name HG# ) 2.5 0.7 0.5 ! A.185 at -1.90e+06 assign (resid 21 and name HA ) (resid 21 and name HN ) 2.5 0.7 0.5 ! B.179 at -1.41e+06 assign (resid 21 and name HB2 ) (resid 21 and name HN ) 3.0 1.2 0.2 ! B.184 at -1.41e+06 assign (resid 21 and name HB1 ) (resid 21 and name HN ) 3.0 1.2 0.7 ! B.183 at -1.05e+06 assign (resid 21 and name HG# ) (resid 21 and name HN ) 2.5 0.7 0.5 ! B.180 at -1.07e+06 assign (resid 21 and name HB1 ) (resid 22 and name HA ) 3.0 1.2 1.5 ! A.188 at -3.77e+06 assign (resid 21 and name HA ) (resid 22 and name HN ) 3.0 1.2 0.5 ! B.186 at 4.60e+06 assign (resid 21 and name HB2 ) (resid 22 and name HN ) 3.0 1.2 0.5 ! B.190 at -1.12e+06 assign (resid 21 and name HG# ) (resid 22 and name HN ) 3.0 1.2 1.7 ! B.195 at -1.09e+06 assign (resid 21 and name HB1 ) (resid 22 and name HN ) 3.0 1.2 1.2 ! B.192 at -1.59e+06 assign (resid 21 and name HN ) (resid 22 and name HN ) 2.5 0.7 0.4 ! C.30 at -6.30e+05 assign (resid 21 and name HA ) (resid 23 and name HN ) 3.0 1.2 0.7 ! B.201 at 8.34e+05 ! R22 assign (resid 22 and name HA ) (resid 22 and name HB1 ) 2.5 0.7 0.3 ! A.193 at 1.49e+06 assign (resid 22 and name HA ) (resid 22 and name HB2 ) 3.0 1.2 0.3 ! A.195 at 1.18e+06 assign (resid 22 and name HB2 ) (resid 22 and name HD1 ) 3.0 1.2 0.3 ! A.616 at 1.50e+06 assign (resid 22 and name HB1 ) (resid 22 and name HD1 ) 3.0 1.2 0.3 ! A.615 at 1.48e+06 assign (resid 22 and name HB1 ) (resid 22 and name HD2 ) 3.0 1.2 0.8 ! A.614 at 1.41e+06 assign (resid 22 and name HB2 ) (resid 22 and name HD2 ) 3.0 1.2 0.8 ! A.612 at 1.41e+06 assign (resid 22 and name HG# ) (resid 22 and name HA ) 3.0 1.2 0.8 ! A.187 at -1.93e+06 assign (resid 22 and name HA ) (resid 22 and name HN ) 2.5 0.7 0.4 ! B.185 at 5.04e+06 assign (resid 22 and name HD1 ) (resid 22 and name HN ) 3.0 1.2 1.0 ! B.198 at -1.20e+06 assign (resid 22 and name HD2 ) (resid 22 and name HN ) 4.0 2.2 1.0 ! B.199 at -1.20e+06 assign (resid 22 and name HB1 ) (resid 22 and name HN ) 3.0 1.2 1.0 ! B.194 at -2.78e+06 assign (resid 22 and name HB2 ) (resid 22 and name HN ) 2.5 0.7 0.5 ! B.193 at -3.80e+06 assign (resid 22 and name HG# ) (resid 22 and name HN ) 2.5 0.7 0.9 ! B.189 at -5.77e+06 assign (resid 22 and name HN ) (resid 23 and name HA2 ) 4.0 2.2 1.0 ! B.492 at -2.88e+05 assign (resid 22 and name HN ) (resid 23 and name HA1 ) 4.0 2.2 1.5 ! B.493 at -2.15e+05 assign (resid 22 and name HA ) (resid 23 and name HN ) 3.0 1.2 0.6 ! B.200 at 1.35e+06 assign (resid 22 and name HG# ) (resid 23 and name HN ) 4.0 2.2 1.0 ! B.203 at -6.29e+05 assign (resid 22 and name HB2 ) (resid 23 and name HN ) 3.0 1.2 0.3 ! B.495 at -7.99e+05 assign (resid 22 and name HB1 ) (resid 23 and name HN ) 3.0 1.2 1.0 ! B.202 at -6.99e+05 assign (resid 22 and name HN ) (resid 23 and name HN ) 2.5 0.7 0.4 ! C.32 at -3.51e+06 assign (resid 22 and name HB2 ) (resid 56 and name HB1 ) 3.0 1.2 0.3 ! A.505 at 2.69e+05 assign (resid 22 and name HB2 ) (resid 56 and name HB2 ) 4.0 2.2 1.0 ! A.509 at 4.99e+05 assign (resid 22 and name HD1 ) (resid 56 and name HB2 ) 3.0 1.2 1.0 ! A.153 at 1.34e+06 assign (resid 22 and name HD1 ) (resid 56 and name HB1 ) 3.0 1.2 1.0 ! A.504 at 3.98e+05 assign (resid 22 and name HD2 ) (resid 56 and name HB2 ) 4.0 2.2 1.0 ! A.153 at 1.25e+06 assign (resid 22 and name HB1 ) (resid 57 and name HB1 ) 3.0 1.2 1.0 ! A.500 at 3.61e+05 assign (resid 22 and name HB2 ) (resid 57 and name HB1 ) 4.0 2.2 1.0 ! A.816 at 4.13e+05 assign (resid 22 and name HB1 ) (resid 57 and name HB2 ) 3.0 1.2 1.0 ! A.818 at 3.83e+05 assign (resid 22 and name HB2 ) (resid 57 and name HB2 ) 4.0 2.2 0.5 ! A.502 at 3.84e+05 assign (resid 22 and name HB1 ) (resid 57 and name HN ) 4.0 2.2 1.0 ! B.411 at -4.13e+05 assign (resid 22 and name HB2 ) (resid 57 and name HN ) 4.0 2.2 1.0 ! B.412 at -4.13e+05 assign (resid 22 and name HD1 ) (resid 57 and name HN ) 4.0 2.2 1.8 ! B.419 at -3.48e+05 ! G23 assign (resid 23 and name HA2 ) (resid 23 and name HN ) 2.5 0.7 0.4 ! B.207 at -2.64e+06 assign (resid 23 and name HA1 ) (resid 23 and name HN ) 3.0 1.2 0.4 ! B.208 at -1.86e+06 assign (resid 23 and name HA2 ) (resid 24 and name HD1 ) 3.0 1.2 1.0 ! A.608 at 4.89e+05 assign (resid 23 and name HA2 ) (resid 24 and name HN ) 2.5 0.7 0.6 ! B.215 at -2.08e+06 assign (resid 23 and name HA1 ) (resid 24 and name HN ) 2.5 0.7 0.4 ! B.214 at -1.99e+06 assign (resid 23 and name HN ) (resid 24 and name HN ) 3.0 1.2 1.3 ! C.35 at -5.36e+05 !!assign (resid 23 and name HA2 ) (resid 29 and name HD# ) 3.0 1.2 0.8 ! A.109 at 3.43e+06 assign (resid 23 and name HA1 ) (resid 57 and name HD21 ) 4.0 2.2 1.8 ! B.465 at -6.41e+05 ! F24 assign (resid 24 and name HA ) (resid 24 and name HB1 ) 2.5 0.7 0.3 ! A.604 at -1.10e+06 assign (resid 24 and name HA ) (resid 24 and name HB2 ) 2.5 0.7 0.3 ! A.202 at -1.30e+06 assign (resid 24 and name HB1 ) (resid 24 and name HD1 ) 3.0 1.2 0.3 ! A.209 at 1.39e+06 assign (resid 24 and name HB2 ) (resid 24 and name HD1 ) 3.0 1.2 0.8 ! A.210 at 1.46e+06 assign (resid 24 and name HD2 ) (resid 24 and name HB1 ) 3.0 1.2 0.7 ! A.201 at 1.04e+06 assign (resid 24 and name HD2 ) (resid 24 and name HB2 ) 2.5 0.7 0.3 ! A.205 at 1.20e+06 assign (resid 24 and name HA ) (resid 24 and name HN ) 3.0 1.2 0.2 ! B.210 at -9.75e+05 assign (resid 24 and name HB1 ) (resid 24 and name HN ) 3.0 1.2 0.5 ! B.212 at -3.66e+05 assign (resid 24 and name HB2 ) (resid 24 and name HN ) 3.0 1.2 1.0 ! B.213 at -4.79e+05 assign (resid 24 and name HD1 ) (resid 24 and name HN ) 3.0 1.2 0.2 ! B.211 at -1.28e+06 assign (resid 24 and name HD2 ) (resid 24 and name HN ) 4.0 2.2 0.5 ! B.500 at -1.25e+06 assign (resid 24 and name HD2 ) (resid 25 and name HA ) 3.0 1.2 0.5 ! A.609 at -2.71e+06 assign (resid 24 and name HA ) (resid 25 and name HN ) 2.5 0.7 0.2 ! B.216 at 2.55e+06 assign (resid 24 and name HB1 ) (resid 25 and name HN ) 3.0 1.2 1.0 ! B.223 at -6.90e+05 assign (resid 24 and name HB2 ) (resid 25 and name HN ) 2.5 0.7 0.2 ! B.222 at -1.62e+06 assign (resid 24 and name HD2 ) (resid 25 and name HN ) 3.0 1.2 0.3 ! B.219 at -5.62e+05 assign (resid 24 and name HN ) (resid 25 and name HN ) 3.0 1.2 1.2 ! C.36 at -4.70e+05 assign (resid 24 and name HZ ) (resid 26 and name HD1 ) 3.0 1.2 1.2 ! A.216 at 5.89e+06 assign (resid 24 and name HE2 ) (resid 26 and name HD1 ) 3.0 1.2 0.3 ! A.491 at 1.49e+06 assign (resid 24 and name HD2 ) (resid 26 and name HD1 ) 3.0 1.2 1.0 ! A.489 at -1.76e+06 assign (resid 24 and name HE2 ) (resid 26 and name HB# ) 3.0 1.2 1.2 ! A.610 at 4.20e+05 assign (resid 24 and name HZ ) (resid 26 and name HB# ) 4.0 2.2 2.5 ! A.611 at 2.49e+05 !!assign (resid 24 and name HZ ) (resid 26 and name HE1 ) 4.0 2.2 2.0 ! A.215 at 6.31e+05 !!assign (resid 24 and name HN ) (resid 26 and name HA ) 4.0 2.2 2.0 ! B.394 at 3.15e+05 assign (resid 24 and name HB2 ) (resid 56 and name HA ) 3.0 1.2 0.5 ! A.858 at -4.00e+05 assign (resid 24 and name HA ) (resid 57 and name HN ) 2.5 0.7 0.3 ! B.410 at 1.08e+06 assign (resid 24 and name HB1 ) (resid 57 and name HN ) 3.0 1.2 0.5 ! B.418 at -3.36e+05 assign (resid 24 and name HB2 ) (resid 57 and name HN ) 3.0 1.2 0.5 ! B.417 at -4.49e+05 ! F25 assign (resid 25 and name HA ) (resid 25 and name HB# ) 2.5 0.7 0.3 ! A.901 at -4.18e+06 assign (resid 25 and name HB# ) (resid 25 and name HD1 ) 3.0 1.2 0.8 ! A.222 at 2.99e+06 assign (resid 25 and name HB# ) (resid 25 and name HD2 ) 3.0 1.2 0.8 ! A.220 at 2.99e+06 assign (resid 25 and name HB# ) (resid 25 and name HE1 ) 4.0 2.2 1.2 ! A.603 at 5.86e+05 assign (resid 25 and name HB# ) (resid 25 and name HE2 ) 4.0 2.2 1.2 ! A.834 at 9.42e+05 assign (resid 25 and name HA ) (resid 25 and name HN ) 3.0 1.2 0.2 ! B.217 at 1.14e+06 assign (resid 25 and name HB# ) (resid 25 and name HN ) 3.0 1.2 0.3 ! B.221 at -1.57e+06 assign (resid 25 and name HD1 ) (resid 25 and name HN ) 3.0 1.2 1.0 ! B.501 at -7.16e+05 assign (resid 25 and name HD2 ) (resid 25 and name HN ) 3.0 1.2 0.5 ! B.220 at -7.16e+05 assign (resid 25 and name HE2 ) (resid 25 and name HN ) 4.0 2.2 0.5 ! B.396 at -2.11e+05 !!assign (resid 25 and name HD1 ) (resid 26 and name HD1 ) 4.0 2.2 1.5 ! A.488 at 8.16e+05 !!assign (resid 25 and name HB# ) (resid 26 and name HD1 ) 4.0 2.2 2.5 ! A.219 at 4.14e+05 assign (resid 25 and name HA ) (resid 26 and name HB# ) 4.0 2.2 1.0 ! A.590 at -6.05e+05 assign (resid 25 and name HD1 ) (resid 27 and name HN ) 4.0 2.2 1.0 ! B.523 at -3.69e+05 !!assign (resid 25 and name HZ ) (resid 29 and name HG1 ) 4.0 2.2 2.0 ! A.573 at 3.57e+05 assign (resid 25 and name HE1 ) (resid 35 and name HD1 ) 3.0 1.2 1.0 ! A.549 at 2.71e+05 assign (resid 25 and name HE1 ) (resid 35 and name HD2 ) 3.0 1.2 1.0 ! A.549 at 2.71e+05 assign (resid 25 and name HE1 ) (resid 35 and name HB# ) 4.0 2.2 1.3 ! A.542 at 2.72e+05 assign (resid 25 and name HE1 ) (resid 55 and name HD1 ) 2.5 0.7 0.5 ! A.760 at 1.14e+07 assign (resid 25 and name HZ ) (resid 55 and name HD1 ) 3.0 1.2 0.8 ! A.762 at -3.09e+06 assign (resid 25 and name HN ) (resid 56 and name HA ) 4.0 2.2 0.5 ! B.218 at 3.00e+05 assign (resid 25 and name HZ ) (resid 56 and name HN ) 4.0 2.2 2.0 ! B.405 at -3.80e+05 ! Y26 assign (resid 26 and name HA ) (resid 26 and name HB# ) 2.5 0.7 0.5 ! A.586 at -1.85e+06 assign (resid 26 and name HB# ) (resid 26 and name HD2 ) 3.0 1.2 0.8 ! A.493 at 2.99e+06 assign (resid 26 and name HB# ) (resid 26 and name HD1 ) 3.0 1.2 0.8 ! A.492 at 2.99e+06 assign (resid 26 and name HB# ) (resid 26 and name HE1 ) 4.0 2.2 1.3 ! A.835 at 3.37e+05 assign (resid 26 and name HB# ) (resid 26 and name HE2 ) 4.0 2.2 1.3 ! A.596 at 3.37e+05 assign (resid 26 and name HD2 ) (resid 27 and name HG2# ) 3.0 1.2 1.0 ! A.486 at -9.62e+05 assign (resid 26 and name HB# ) (resid 27 and name HG2# ) 4.0 2.2 1.5 ! A.587 at -4.72e+05 assign (resid 26 and name HE1 ) (resid 27 and name HG2# ) 4.0 2.2 1.8 ! A.866 at -4.34e+05 assign (resid 26 and name HE2 ) (resid 27 and name HG2# ) 3.0 1.2 0.3 ! A.600 at -7.79e+05 assign (resid 26 and name HA ) (resid 27 and name HN ) 2.5 0.7 0.5 ! B.225 at 1.33e+06 assign (resid 26 and name HB# ) (resid 27 and name HN ) 3.0 1.2 0.8 ! B.227 at -7.78e+05 assign (resid 26 and name HD1 ) (resid 27 and name HN ) 3.0 1.2 1.0 ! B.524 at -2.52e+05 assign (resid 26 and name HD2 ) (resid 27 and name HN ) 3.0 1.2 0.3 ! B.525 at -2.52e+05 !!assign (resid 26 and name HE1 ) (resid 29 and name HG1 ) 4.0 2.2 2.0 ! A.574 at 2.72e+05 assign (resid 26 and name HE2 ) (resid 34 and name HG1 ) 4.0 2.2 2.0 ! A.598 at 5.23e+05 assign (resid 26 and name HD2 ) (resid 38 and name HG2# ) 4.0 2.2 2.0 ! A.820 at -8.60e+05 assign (resid 26 and name HD1 ) (resid 38 and name HG2# ) 4.0 2.2 1.7 ! A.594 at -8.60e+05 assign (resid 26 and name HA ) (resid 38 and name HG2# ) 4.0 2.2 1.5 ! A.227 at 6.05e+05 assign (resid 26 and name HE1 ) (resid 38 and name HG2# ) 4.0 2.2 1.0 ! A.680 at -8.03e+05 assign (resid 26 and name HD1 ) (resid 38 and name HD1# ) 4.0 2.2 3.5 ! A.315 at -4.62e+05 assign (resid 26 and name HE2 ) (resid 39 and name HG2# ) 3.0 1.2 1.0 ! A.333 at -6.97e+05 assign (resid 26 and name HD2 ) (resid 39 and name HG2# ) 4.0 2.2 1.5 ! A.801 at -6.97e+05 !assign (resid 26 and name HD1 ) (resid 55 and name HE1 ) 4.0 2.2 2.0 ! A.475 at 6.98e+05 ! T27 assign (resid 27 and name HA ) (resid 27 and name HB1 ) 2.5 0.7 0.5 ! A.902 at -2.86e+06 assign (resid 27 and name HA ) (resid 27 and name HG2# ) 3.0 1.2 0.8 ! A.494 at 3.55e+06 assign (resid 27 and name HG2# ) (resid 27 and name HN ) 2.5 0.7 0.5 ! B.228 at 1.20e+06 assign (resid 27 and name HA ) (resid 27 and name HN ) 3.0 1.2 0.2 ! B.226 at 8.33e+05 assign (resid 27 and name HB ) (resid 27 and name HN ) 2.5 0.7 0.5 ! B.224 at -1.26e+06 assign (resid 27 and name HA ) (resid 28 and name HB1 ) 4.0 2.2 2.0 ! A.655 at -3.42e+05 assign (resid 27 and name HG2# ) (resid 28 and name HN ) 4.0 2.2 0.5 ! B.232 at 6.64e+05 assign (resid 27 and name HA ) (resid 28 and name HN ) 2.5 0.7 0.5 ! B.229 at 1.88e+06 assign (resid 27 and name HB ) (resid 28 and name HN ) 3.0 1.2 1.0 ! B.230 at -5.61e+05 !!assign (resid 27 and name HG2# ) (resid 32 and name HA2 ) 4.0 2.2 1.5 ! A.496 at -7.98e+05 assign (resid 27 and name HG2# ) (resid 31 and name HA# ) 4.0 2.2 2.3 ! A.495 at -7.98e+05 assign (resid 27 and name HG2# ) (resid 33 and name HN ) 4.0 2.2 3.6 ! B.262 at 5.13e+05 assign (resid 27 and name HG2# ) (resid 34 and name HA ) 4.0 2.2 1.7 ! A.584 at 3.74e+05 assign (resid 27 and name HG2# ) (resid 35 and name HA ) 4.0 2.2 2.5 ! A.585 at 2.84e+05 assign (resid 27 and name HA ) (resid 35 and name HN ) 4.0 2.2 0.5 ! B.268 at 6.35e+05 assign (resid 27 and name HB ) (resid 35 and name HN ) 4.0 2.2 0.5 ! B.555 at -2.36e+05 assign (resid 27 and name HG2# ) (resid 35 and name HN ) 4.0 2.2 1.0 ! B.272 at 2.75e+05 ! D28 assign (resid 28 and name HA ) (resid 28 and name HB1 ) 2.5 0.7 0.7 ! A.579 at -1.73e+06 assign (resid 28 and name HA ) (resid 28 and name HB2 ) 2.5 0.7 0.7 ! A.577 at -1.79e+06 assign (resid 28 and name HA ) (resid 28 and name HN ) 2.5 0.7 0.5 ! B.231 at -2.08e+06 assign (resid 28 and name HB2 ) (resid 28 and name HN ) 2.5 0.7 0.5 ! B.234 at -1.19e+06 assign (resid 28 and name HB1 ) (resid 28 and name HN ) 3.0 1.2 0.5 ! B.233 at -1.09e+06 assign (resid 28 and name HB1 ) (resid 29 and name HD# ) 3.0 1.2 0.5 ! A.580 at -1.14e+06 assign (resid 28 and name HB2 ) (resid 29 and name HD# ) 3.0 1.2 1.5 ! A.576 at -1.04e+06 assign (resid 28 and name HA ) (resid 30 and name HN ) 4.0 2.2 0.5 ! B.247 at 4.04e+05 assign (resid 28 and name HB2 ) (resid 30 and name HN ) 4.0 2.2 1.0 ! B.246 at -4.76e+05 assign (resid 28 and name HB1 ) (resid 30 and name HN ) 4.0 2.2 1.0 ! B.245 at -5.49e+05 assign (resid 28 and name HB1 ) (resid 31 and name HN ) 4.0 2.2 1.0 ! B.253 at -3.12e+05 assign (resid 28 and name HB1 ) (resid 32 and name HN ) 4.0 2.2 2.0 ! B.254 at -3.23e+05 !!assign (resid 28 and name HB1 ) (resid 33 and name HN ) 4.0 2.2 2.5 ! B.261 at -2.99e+05 assign (resid 28 and name HB1 ) (resid 35 and name HA ) 4.0 2.2 2.0 ! A.581 at -4.26e+05 assign (resid 28 and name HB2 ) (resid 35 and name HB# ) 4.0 2.2 0.5 ! A.656 at 3.36e+05 assign (resid 28 and name HB2 ) (resid 35 and name HA ) 4.0 2.2 0.5 ! A.578 at -5.58e+05 ! P29 assign (resid 29 and name HA ) (resid 29 and name HB1 ) 2.5 0.7 0.3 ! A.567 at -4.21e+06 assign (resid 29 and name HA ) (resid 29 and name HB2 ) 3.0 1.2 0.2 ! A.569 at -2.37e+06 assign (resid 29 and name HD# ) (resid 29 and name HB1 ) 3.0 1.2 0.8 ! A.565 at -1.70e+06 assign (resid 29 and name HD# ) (resid 29 and name HB2 ) 3.0 1.2 0.8 ! A.570 at -2.10e+06 assign (resid 29 and name HA ) (resid 29 and name HG1 ) 3.0 1.2 1.0 ! A.572 at -1.15e+06 assign (resid 29 and name HB2 ) (resid 30 and name HG2# ) 4.0 2.2 1.8 ! A.559 at -6.92e+05 assign (resid 29 and name HG1 ) (resid 30 and name HG2# ) 4.0 2.2 1.8 ! A.558 at -1.12e+06 !!assign (resid 29 and name HB1 ) (resid 30 and name HA ) 3.0 1.2 0.3 ! A.564 at -1.21e+06 assign (resid 29 and name HA ) (resid 30 and name HN ) 3.0 1.2 0.5 ! B.236 at 3.00e+06 assign (resid 29 and name HB1 ) (resid 30 and name HN ) 4.0 2.2 1.0 ! B.243 at -5.35e+05 assign (resid 29 and name HB2 ) (resid 30 and name HN ) 4.0 2.2 0.5 ! B.244 at -9.89e+05 assign (resid 29 and name HG1 ) (resid 30 and name HN ) 3.0 1.2 1.5 ! B.241 at -1.45e+06 assign (resid 29 and name HG2 ) (resid 30 and name HN ) 3.0 1.2 0.5 ! B.527 at -1.45e+06 assign (resid 29 and name HD# ) (resid 30 and name HN ) 3.0 1.2 1.0 ! B.239 at 2.52e+06 ! T30 assign (resid 30 and name HA ) (resid 30 and name HG2# ) 2.5 0.7 0.7 ! A.557 at 7.23e+06 assign (resid 30 and name HA ) (resid 30 and name HN ) 3.0 1.2 0.2 ! B.235 at 3.00e+06 assign (resid 30 and name HB ) (resid 30 and name HN ) 3.0 1.2 0.6 ! B.238 at -2.04e+06 assign (resid 30 and name HG2# ) (resid 30 and name HN ) 2.5 0.7 0.9 ! B.237 at 4.37e+06 assign (resid 30 and name HG2# ) (resid 31 and name HN ) 4.0 2.2 2.5 ! B.252 at 5.18e+05 assign (resid 30 and name HA ) (resid 31 and name HN ) 3.0 1.2 0.5 ! B.249 at 2.01e+06 assign (resid 30 and name HB ) (resid 31 and name HN ) 4.0 2.2 1.0 ! B.250 at -8.09e+05 !!assign (resid 30 and name HN ) (resid 34 and name HG# ) 3.0 1.2 1.0 ! B.242 at -1.45e+06 assign (resid 30 and name HN ) (resid 35 and name HN ) 4.0 2.2 1.8 ! C.39 at -8.03e+05 ! G31 assign (resid 31 and name HA# ) (resid 31 and name HN ) 2.5 0.7 0.9 ! B.248 at -4.71e+06 assign (resid 31 and name HA# ) (resid 32 and name HN ) 2.5 0.7 0.9 ! B.256 at -6.74e+06 ! G32 assign (resid 32 and name HA1 ) (resid 33 and name HN ) 3.0 1.2 0.4 ! B.266 at -5.25e+06 assign (resid 32 and name HA2 ) (resid 33 and name HN ) 3.0 1.2 0.4 ! B.265 at -4.36e+06 assign (resid 32 and name HA2 ) (resid 34 and name HD# ) 3.0 1.2 1.2 ! A.880 at -1.86e+06 ! G33 assign (resid 33 and name HA# ) (resid 34 and name HD# ) 2.5 0.7 0.6 ! A.528 at -1.45e+07 assign (resid 33 and name HN ) (resid 34 and name HA ) 4.0 2.2 2.0 ! B.263 at 3.07e+05 assign (resid 33 and name HN ) (resid 34 and name HD# ) 3.0 1.2 1.0 ! B.259 at 1.12e+06 ! P34 assign (resid 34 and name HA ) (resid 34 and name HB1 ) 2.5 0.7 0.3 ! A.510 at -1.58e+06 assign (resid 34 and name HA ) (resid 34 and name HB2 ) 2.5 0.7 0.5 ! A.514 at -1.20e+06 assign (resid 34 and name HD# ) (resid 34 and name HB1 ) 4.0 2.2 1.5 ! A.511 at -7.84e+05 assign (resid 34 and name HD# ) (resid 34 and name HB2 ) 3.0 1.2 0.8 ! A.515 at -1.24e+06 assign (resid 34 and name HA ) (resid 34 and name HG1 ) 3.0 1.2 1.0 ! A.518 at -2.00e+06 assign (resid 34 and name HA ) (resid 34 and name HG2 ) 4.0 2.2 2.0 ! A.521 at -5.06e+05 assign (resid 34 and name HG2 ) (resid 35 and name HB# ) 4.0 2.2 2.0 ! A.522 at -1.27e+06 assign (resid 34 and name HD# ) (resid 35 and name HN ) 4.0 2.2 1.5 ! B.274 at 4.72e+05 assign (resid 34 and name HA ) (resid 35 and name HN ) 2.5 0.7 0.5 ! B.269 at 4.63e+06 assign (resid 34 and name HG2 ) (resid 35 and name HN ) 4.0 2.2 0.5 ! B.278 at -5.19e+05 assign (resid 34 and name HB1 ) (resid 35 and name HN ) 3.0 1.2 1.0 ! B.275 at -5.47e+05 assign (resid 34 and name HB2 ) (resid 35 and name HN ) 3.0 1.2 0.5 ! B.276 at -6.40e+05 !!assign (resid 34 and name HB1 ) (resid 38 and name HG2# ) 4.0 2.2 2.5 ! A.242 at -4.78e+05 assign (resid 34 and name HB2 ) (resid 38 and name HG2# ) 4.0 2.2 2.3 ! A.243 at -3.71e+05 assign (resid 34 and name HB2 ) (resid 39 and name HG2# ) 4.0 2.2 2.0 ! A.512 at -6.76e+05 assign (resid 34 and name HD# ) (resid 39 and name HG2# ) 4.0 2.2 3.0 ! A.529 at 5.60e+05 assign (resid 34 and name HG1 ) (resid 39 and name HG2# ) 4.0 2.2 1.5 ! A.523 at -5.74e+05 assign (resid 34 and name HG2 ) (resid 39 and name HG2# ) 4.0 2.2 0.5 ! A.519 at -5.31e+05 !!assign (resid 34 and name HB2 ) (resid 40 and name HA ) 4.0 2.2 2.0 ! A.517 at 2.41e+05 ! R35 assign (resid 35 and name HA ) (resid 35 and name HB# ) 2.5 0.7 0.3 ! A.531 at -3.68e+06 assign (resid 35 and name HB# ) (resid 35 and name HD2 ) 3.0 1.2 0.8 ! A.547 at 1.44e+06 assign (resid 35 and name HB# ) (resid 35 and name HD1 ) 3.0 1.2 1.3 ! A.539 at 1.77e+06 assign (resid 35 and name HA ) (resid 35 and name HG# ) 3.0 1.2 0.8 ! A.537 at -1.21e+06 assign (resid 35 and name HD2 ) (resid 35 and name HN ) 4.0 2.2 1.0 ! B.271 at -6.08e+05 assign (resid 35 and name HD1 ) (resid 35 and name HN ) 4.0 2.2 1.5 ! B.270 at -6.08e+05 assign (resid 35 and name HB# ) (resid 35 and name HN ) 3.0 1.2 0.5 ! B.277 at -3.21e+06 assign (resid 35 and name HG# ) (resid 35 and name HN ) 3.0 1.2 1.5 ! B.279 at -2.91e+06 assign (resid 35 and name HA ) (resid 36 and name HG1 ) 3.0 1.2 1.0 ! A.544 at -1.20e+06 assign (resid 35 and name HA ) (resid 36 and name HN ) 3.0 1.2 0.2 ! B.289 at 3.86e+06 assign (resid 35 and name HG# ) (resid 36 and name HN ) 3.0 1.2 1.5 ! B.286 at -1.93e+06 assign (resid 35 and name HB# ) (resid 36 and name HN ) 3.0 1.2 1.5 ! B.288 at -3.53e+06 assign (resid 35 and name HG# ) (resid 37 and name HN ) 3.0 1.2 1.0 ! B.538 at -4.52e+05 assign (resid 35 and name HD1 ) (resid 38 and name HG2# ) 4.0 2.2 1.5 ! A.244 at -2.66e+05 assign (resid 35 and name HG# ) (resid 38 and name HG2# ) 4.0 2.2 2.8 ! A.237 at -7.53e+05 !!!!assign (resid 35 and name HB# ) (resid 38 and name HD1# ) 4.0 2.2 3.0 ! A.646 at -2.94e+05 assign (resid 35 and name HD1 ) (resid 38 and name HD1# ) 4.0 2.2 2.5 ! A.317 at -3.91e+05 assign (resid 35 and name HB# ) (resid 38 and name HG2# ) 4.0 2.2 1.2 ! A.536 at -5.69e+05 assign (resid 35 and name HN ) (resid 38 and name HG2# ) 4.0 2.2 2.0 ! B.273 at 6.15e+05 assign (resid 35 and name HB# ) (resid 55 and name HE1 ) 4.0 2.2 1.5 ! A.541 at 3.73e+05 assign (resid 35 and name HG# ) (resid 55 and name HE1 ) 4.0 2.2 0.8 ! A.847 at 3.63e+05 assign (resid 35 and name HD2 ) (resid 55 and name HD1 ) 4.0 2.2 0.5 ! A.867 at 3.36e+05 ! R36 assign (resid 36 and name HA ) (resid 36 and name HB# ) 2.5 0.7 0.3 ! A.550 at -2.53e+06 assign (resid 36 and name HD# ) (resid 36 and name HB# ) 3.0 1.2 1.3 ! A.552 at 3.46e+06 assign (resid 36 and name HA ) (resid 36 and name HG2 ) 3.0 1.2 1.2 ! A.554 at -1.03e+06 assign (resid 36 and name HA ) (resid 36 and name HG1 ) 3.0 1.2 0.5 ! A.553 at -1.10e+06 assign (resid 36 and name HA ) (resid 36 and name HN ) 3.0 1.2 0.2 ! B.290 at 1.52e+06 assign (resid 36 and name HG1 ) (resid 36 and name HN ) 3.0 1.2 0.3 ! B.285 at -1.93e+06 assign (resid 36 and name HG2 ) (resid 36 and name HN ) 3.0 1.2 0.3 ! B.284 at -1.93e+06 assign (resid 36 and name HB# ) (resid 36 and name HN ) 3.0 1.2 0.5 ! B.287 at -3.90e+06 assign (resid 36 and name HD# ) (resid 36 and name HN ) 4.0 2.2 1.0 ! B.291 at -3.55e+05 assign (resid 36 and name HB# ) (resid 37 and name HA2 ) 4.0 2.2 2.5 ! A.532 at 5.98e+05 assign (resid 36 and name HA ) (resid 37 and name HN ) 3.0 1.2 0.5 ! B.294 at 1.36e+06 assign (resid 36 and name HG1 ) (resid 37 and name HN ) 3.0 1.2 1.0 ! B.292 at -4.52e+05 assign (resid 36 and name HG2 ) (resid 37 and name HN ) 4.0 2.2 1.0 ! B.528 at -4.52e+05 assign (resid 36 and name HB# ) (resid 37 and name HN ) 4.0 2.2 0.5 ! B.293 at -7.47e+05 assign (resid 36 and name HN ) (resid 37 and name HN ) 3.0 1.2 0.5 ! C.40 at -3.08e+05 assign (resid 36 and name HA ) (resid 39 and name HG2# ) 4.0 2.2 0.5 ! A.334 at 4.32e+05 assign (resid 36 and name HA ) (resid 39 and name HB ) 4.0 2.2 2.0 ! A.654 at -2.05e+05 ! G37 assign (resid 37 and name HA1 ) (resid 37 and name HN ) 2.5 0.7 0.5 ! B.297 at 1.28e+06 assign (resid 37 and name HA2 ) (resid 37 and name HN ) 2.5 0.7 0.7 ! B.298 at 1.28e+06 assign (resid 37 and name HA1 ) (resid 38 and name HN ) 3.0 1.2 1.0 ! B.553 at 2.84e+06 assign (resid 37 and name HA2 ) (resid 38 and name HN ) 3.0 1.2 1.0 ! B.552 at 2.84e+05 assign (resid 37 and name HN ) (resid 40 and name HB# ) 4.0 2.2 2.8 ! B.299 at -2.67e+05 assign (resid 37 and name HA1 ) (resid 41 and name HB2 ) 4.0 2.2 0.5 ! A.844 at -7.10e+05 assign (resid 37 and name HA2 ) (resid 41 and name HB2 ) 3.0 1.2 0.6 ! A.843 at -7.11e+05 ! I38 assign (resid 38 and name HA ) (resid 38 and name HG2# ) 3.0 1.2 0.7 ! A.228 at 4.86e+05 assign (resid 38 and name HA ) (resid 38 and name HD1# ) 3.0 1.2 0.5 ! A.313 at 5.93e+05 assign (resid 38 and name HG2# ) (resid 38 and name HN ) 3.0 1.2 1.0 ! B.554 at 6.77e+05 assign (resid 38 and name HG2# ) (resid 39 and name HB ) 4.0 2.2 1.0 ! A.840 at -2.58e+05 assign (resid 38 and name HG2# ) (resid 39 and name HG2# ) 3.0 1.2 1.3 ! A.335 at 2.61e+06 assign (resid 38 and name HG2# ) (resid 39 and name HG1# ) 4.0 2.2 1.5 ! A.233 at 1.13e+06 assign (resid 38 and name HA ) (resid 39 and name HN ) 3.0 1.2 1.0 ! B.306 at 3.48e+05 assign (resid 38 and name HG2# ) (resid 39 and name HN ) 3.0 1.2 0.5 ! B.300 at 1.86e+06 assign (resid 38 and name HD1# ) (resid 41 and name HB1 ) 4.0 2.2 0.5 ! A.795 at 3.80e+05 assign (resid 38 and name HD1# ) (resid 41 and name HB2 ) 4.0 2.2 1.8 ! A.796 at 3.76e+05 assign (resid 38 and name HD1# ) (resid 42 and name HA ) 4.0 2.2 2.5 ! A.794 at 2.74e+05 assign (resid 38 and name HD1# ) (resid 42 and name HB1 ) 4.0 2.2 1.3 ! A.837 at -2.45e+05 assign (resid 38 and name HD1# ) (resid 42 and name HB2 ) 3.0 1.2 1.2 ! A.836 at -3.05e+05 assign (resid 38 and name HD1# ) (resid 51 and name HB2 ) 4.0 2.2 1.5 ! A.797 at 3.76e+05 !!!assign (resid 38 and name HG2# ) (resid 52 and name HD2# ) 4.0 2.2 2.0 ! A.442 at -9.88e+05 assign (resid 38 and name HD1# ) (resid 52 and name HA ) 4.0 2.2 0.5 ! A.651 at 2.75e+05 assign (resid 38 and name HD1# ) (resid 52 and name HG ) 4.0 2.2 1.0 ! A.645 at -3.19e+05 !!!assign (resid 38 and name HG2# ) (resid 52 and name HD1# ) 4.0 2.2 1.0 ! A.402 at -8.52e+05 assign (resid 38 and name HG12 ) (resid 52 and name HD2# ) 4.0 2.2 1.0 ! A.454 at 1.74e+06 assign (resid 38 and name HD1# ) (resid 52 and name HD2# ) 3.0 1.2 1.0 ! A.808 at -6.88e+05 assign (resid 38 and name HG2# ) (resid 55 and name HD1 ) 4.0 2.2 2.0 ! A.226 at -2.99e+05 assign (resid 38 and name HG2# ) (resid 55 and name HE1 ) 4.0 2.2 2.0 ! A.793 at -8.05e+05 !!assign (resid 38 and name HG2# ) (resid 55 and name HE2 ) 4.0 2.2 2.5 ! A.678 at -8.02e+05 assign (resid 38 and name HD1# ) (resid 55 and name HB1 ) 4.0 2.2 2.0 ! A.647 at -3.05e+05 assign (resid 38 and name HD1# ) (resid 55 and name HB2 ) 4.0 2.2 1.2 ! A.648 at -2.45e+05 assign (resid 38 and name HD1# ) (resid 55 and name HD1 ) 4.0 2.2 2.0 ! A.469 at -9.03e+05 assign (resid 38 and name HD1# ) (resid 55 and name HD2 ) 4.0 2.2 0.3 ! A.798 at -9.71e+05 assign (resid 38 and name HD1# ) (resid 55 and name HE1 ) 4.0 2.2 1.8 ! A.484 at -7.88e+05 assign (resid 38 and name HD1# ) (resid 55 and name HE2 ) 3.0 1.2 1.0 ! A.838 at -7.88e+05 assign (resid 38 and name HA ) (resid 55 and name HE1 ) 4.0 2.2 0.3 ! A.839 at -4.07e+05 assign (resid 38 and name HA ) (resid 55 and name HE2 ) 3.0 1.2 1.0 ! A.485 at -4.07e+05 ! V39 assign (resid 39 and name HA ) (resid 39 and name HB ) 3.0 1.2 0.3 ! A.325 at 3.80e+06 assign (resid 39 and name HA ) (resid 39 and name HG2# ) 3.0 1.2 0.8 ! A.330 at 2.06e+06 assign (resid 39 and name HA ) (resid 39 and name HG1# ) 4.0 2.2 1.5 ! A.329 at 8.23e+05 assign (resid 39 and name HG2# ) (resid 39 and name HN ) 3.0 1.2 0.5 ! B.301 at 2.83e+06 assign (resid 39 and name HG1# ) (resid 39 and name HN ) 4.0 2.2 1.0 ! B.303 at 7.15e+05 assign (resid 39 and name HB ) (resid 39 and name HN ) 3.0 1.2 0.5 ! B.302 at -2.53e+06 assign (resid 39 and name HG2# ) (resid 40 and name HG1 ) 4.0 2.2 2.5 ! A.620 at -5.51e+05 assign (resid 39 and name HG1# ) (resid 43 and name HB1 ) 3.0 1.2 0.8 ! A.328 at -1.02e+06 assign (resid 39 and name HG1# ) (resid 43 and name HB2 ) 4.0 2.2 1.5 ! A.327 at -7.10e+05 assign (resid 39 and name HG1# ) (resid 43 and name HN ) 4.0 2.2 1.0 ! B.530 at 3.39e+05 ! E40 assign (resid 40 and name HA ) (resid 40 and name HB# ) 2.5 0.7 0.5 ! A.903 at -4.01e+06 assign (resid 40 and name HG2 ) (resid 40 and name HA ) 4.0 2.2 1.0 ! A.337 at -7.80e+05 assign (resid 40 and name HA ) (resid 40 and name HG1 ) 3.0 1.2 0.5 ! A.340 at -1.19e+06 assign (resid 40 and name HB# ) (resid 43 and name HN ) 4.0 2.2 1.2 ! B.529 at -4.17e+05 assign (resid 40 and name HA ) (resid 44 and name HB1 ) 3.0 1.2 1.0 ! A.890 at -6.16e+05 assign (resid 40 and name HA ) (resid 44 and name HB2 ) 4.0 2.2 2.0 ! A.352 at -6.21e+05 ! Q41 assign (resid 41 and name HA ) (resid 41 and name HB1 ) 3.0 1.2 0.3 ! A.346 at -4.07e+06 assign (resid 41 and name HA ) (resid 41 and name HB2 ) 2.5 0.7 0.3 ! A.348 at -4.07e+06 assign (resid 41 and name HA ) (resid 41 and name HG1 ) 3.0 1.2 0.3 ! A.342 at -2.19e+06 assign (resid 41 and name HA ) (resid 41 and name HG2 ) 3.0 1.2 1.0 ! A.888 at -8.93e+05 assign (resid 41 and name HB1 ) (resid 41 and name HE21 ) 4.0 2.2 2.0 ! B.442 at -5.94e+05 assign (resid 41 and name HB2 ) (resid 41 and name HE21 ) 4.0 2.2 2.0 ! B.443 at -5.94e+05 assign (resid 41 and name HG2 ) (resid 41 and name HE21 ) 3.0 1.2 0.3 ! B.444 at -2.10e+06 assign (resid 41 and name HG1 ) (resid 41 and name HE21 ) 3.0 1.2 0.3 ! B.445 at -2.86e+06 assign (resid 41 and name HA ) (resid 41 and name HE22 ) 4.0 2.2 2.2 ! B.441 at 3.33e+05 assign (resid 41 and name HB2 ) (resid 41 and name HE22 ) 4.0 2.2 2.0 ! B.440 at -3.82e+05 assign (resid 41 and name HG1 ) (resid 41 and name HE22 ) 3.0 1.2 0.5 ! B.437 at -1.95e+06 assign (resid 41 and name HG2 ) (resid 41 and name HE22 ) 3.0 1.2 0.8 ! B.439 at -1.95e+06 assign (resid 41 and name HA ) (resid 45 and name HB2 ) 4.0 2.2 1.0 ! A.344 at 7.30e+05 assign (resid 41 and name HB1 ) (resid 55 and name HE2 ) 4.0 2.2 1.0 ! A.480 at 8.09e+05 ! C42 assign (resid 42 and name HA ) (resid 42 and name HB1 ) 2.5 0.7 0.5 ! A.892 at -4.29e+06 assign (resid 42 and name HA ) (resid 42 and name HB2 ) 2.5 0.7 0.6 ! A.464 at -1.03e+06 ! C43 assign (resid 43 and name HA ) (resid 43 and name HB1 ) 2.5 0.7 0.6 ! A.904 at -1.59e+06 assign (resid 43 and name HA ) (resid 43 and name HB2 ) 2.5 0.7 0.6 ! A.906 at -1.35e+06 assign (resid 43 and name HA ) (resid 43 and name HN ) 3.0 1.2 0.5 ! B.280 at -7.36e+05 assign (resid 43 and name HB1 ) (resid 43 and name HN ) 3.0 1.2 0.5 ! B.281 at -1.01e+06 assign (resid 43 and name HB2 ) (resid 43 and name HN ) 4.0 2.2 2.0 ! B.282 at -5.84e+05 assign (resid 43 and name HN ) (resid 45 and name HN ) 3.0 1.2 0.4 ! C.41 at -4.82e+05 ! H44 assign (resid 44 and name HA ) (resid 44 and name HB1 ) 3.0 1.2 0.5 ! A.351 at -1.46e+06 assign (resid 44 and name HA ) (resid 44 and name HB2 ) 3.0 1.2 0.2 ! A.353 at -1.85e+06 assign (resid 44 and name HA ) (resid 44 and name HD2 ) 3.0 1.2 1.0 ! A.705 at -6.96e+05 assign (resid 44 and name HA ) (resid 45 and name HN ) 4.0 2.2 1.0 ! B.307 at 2.71e+05 assign (resid 44 and name HB1 ) (resid 44 and name HD2 ) 3.0 1.2 0.5 ! A.889 at 5.67e+05 assign (resid 44 and name HB2 ) (resid 44 and name HD2 ) 3.0 1.2 1.0 ! A.891 at 5.17e+05 assign (resid 44 and name HB2 ) (resid 45 and name HN ) 4.0 2.2 1.0 ! B.312 at -7.52e+05 assign (resid 44 and name HB1 ) (resid 45 and name HN ) 4.0 2.2 1.0 ! B.309 at -7.52e+05 ! S45 assign (resid 45 and name HA ) (resid 45 and name HN ) 3.0 1.2 0.5 ! B.308 at 4.39e+05 assign (resid 45 and name HB2 ) (resid 45 and name HN ) 3.0 1.2 1.0 ! B.311 at 7.56e+05 assign (resid 45 and name HB1 ) (resid 45 and name HN ) 3.0 1.2 1.0 ! B.310 at 4.70e+05 assign (resid 45 and name HA ) (resid 46 and name HN ) 3.0 1.2 0.2 ! B.326 at 1.53e+06 assign (resid 45 and name HB1 ) (resid 46 and name HN ) 3.0 1.2 0.5 ! B.328 at 3.03e+06 assign (resid 45 and name HB2 ) (resid 46 and name HN ) 3.0 1.2 0.5 ! B.329 at 3.03e+06 ! I46 assign (resid 46 and name HD1# ) (resid 46 and name HB ) 3.0 1.2 0.8 ! A.355 at -1.59e+06 assign (resid 46 and name HA ) (resid 46 and name HG2# ) 3.0 1.2 0.2 ! A.371 at 2.48e+06 assign (resid 46 and name HA ) (resid 46 and name HD1# ) 3.0 1.2 0.7 ! A.376 at 5.73e+05 assign (resid 46 and name HA ) (resid 46 and name HB ) 3.0 1.2 0.5 ! A.354 at -5.64e+05 assign (resid 46 and name HA ) (resid 46 and name HG11 ) 3.0 1.2 1.0 ! A.358 at -4.14e+05 assign (resid 46 and name HA ) (resid 46 and name HG12 ) 3.0 1.2 1.0 ! A.363 at -3.21e+05 assign (resid 46 and name HD1# ) (resid 46 and name HN ) 4.0 2.2 0.5 ! B.332 at 6.82e+05 assign (resid 46 and name HG2# ) (resid 46 and name HN ) 3.0 1.2 1.3 ! B.331 at 1.23e+06 assign (resid 46 and name HG11 ) (resid 46 and name HN ) 3.0 1.2 0.5 ! B.333 at -1.07e+06 assign (resid 46 and name HG12 ) (resid 46 and name HN ) 3.0 1.2 1.0 ! B.334 at -4.96e+05 assign (resid 46 and name HB ) (resid 46 and name HN ) 2.5 0.7 0.4 ! B.330 at -2.94e+06 assign (resid 46 and name HA ) (resid 46 and name HN ) 3.0 1.2 0.5 ! B.327 at 6.06e+05 ! C47 ! S48 assign (resid 48 and name HB1 ) (resid 49 and name HN ) 3.0 1.2 0.5 ! B.338 at 1.64e+06 assign (resid 48 and name HA ) (resid 49 and name HN ) 2.5 0.7 0.4 ! B.335 at 4.96e+06 assign (resid 48 and name HB2 ) (resid 49 and name HN ) 2.5 0.7 0.5 ! B.337 at 2.57e+06 assign (resid 48 and name HB2 ) (resid 50 and name HN ) 2.5 0.7 0.5 ! B.323 at 1.47e+06 assign (resid 48 and name HB1 ) (resid 50 and name HN ) 4.0 2.2 0.5 ! B.324 at 9.17e+05 assign (resid 48 and name HA ) (resid 50 and name HN ) 4.0 2.2 0.5 ! B.317 at 5.43e+05 assign (resid 48 and name HB2 ) (resid 51 and name HN ) 3.0 1.2 1.0 ! B.349 at 5.62e+05 assign (resid 48 and name HB1 ) (resid 51 and name HN ) 4.0 2.2 1.0 ! B.348 at 6.88e+05 ! L49 assign (resid 49 and name HA ) (resid 49 and name HB# ) 2.5 0.7 0.2 ! A.380 at -3.87e+06 assign (resid 49 and name HD1# ) (resid 49 and name HB# ) 2.5 0.7 1.2 ! A.752 at 5.00e+06 assign (resid 49 and name HD2# ) (resid 49 and name HB# ) 2.5 0.7 1.2 ! A.386 at 4.86e+06 assign (resid 49 and name HD2# ) (resid 49 and name HA ) 3.0 1.2 0.8 ! A.744 at -2.68e+06 assign (resid 49 and name HD1# ) (resid 49 and name HA ) 3.0 1.2 1.5 ! A.747 at -2.68e+06 assign (resid 49 and name HG ) (resid 49 and name HA ) 3.0 1.2 0.3 ! A.743 at -1.06e+06 assign (resid 49 and name HA ) (resid 49 and name HN ) 2.5 0.7 0.5 ! B.335 at 4.96e+06 assign (resid 49 and name HB# ) (resid 49 and name HN ) 2.5 0.7 0.9 ! B.339 at -7.24e+06 assign (resid 49 and name HD1# ) (resid 49 and name HN ) 3.0 1.2 1.5 ! B.342 at -1.36e+06 assign (resid 49 and name HD2# ) (resid 49 and name HN ) 3.0 1.2 1.0 ! B.531 at -1.36e+06 assign (resid 49 and name HG ) (resid 49 and name HN ) 2.5 0.7 0.5 ! B.341 at -2.36e+06 assign (resid 49 and name HB# ) (resid 50 and name HB2 ) 4.0 2.2 1.0 ! A.751 at 4.15e+05 assign (resid 49 and name HB# ) (resid 50 and name HA ) 4.0 2.2 1.0 ! A.750 at -3.23e+05 assign (resid 49 and name HA ) (resid 50 and name HN ) 3.0 1.2 0.5 ! B.318 at 1.15e+06 assign (resid 49 and name HD1# ) (resid 50 and name HN ) 4.0 2.2 1.6 ! B.314 at -4.84e+05 assign (resid 49 and name HB# ) (resid 50 and name HN ) 3.0 1.2 0.5 ! B.322 at -4.05e+06 assign (resid 49 and name HG ) (resid 50 and name HN ) 3.0 1.2 1.0 ! B.313 at -9.43e+05 !!!!assign (resid 49 and name HB# ) (resid 50 and name HD2 ) 4.0 2.2 1.8 ! A.894 at 3.21e+05 !!!!assign (resid 49 and name HN ) (resid 50 and name HD2 ) 4.0 2.2 1.5 ! B.550 at -2.18e+05 assign (resid 49 and name HN ) (resid 50 and name HN ) 2.5 0.7 0.6 ! C.42 at -1.65e+06 assign (resid 49 and name HA ) (resid 51 and name HB2 ) 4.0 2.2 1.5 ! A.746 at -5.88e+05 assign (resid 49 and name HA ) (resid 51 and name HN ) 4.0 2.2 0.5 ! B.541 at 3.46e+06 assign (resid 49 and name HB# ) (resid 51 and name HN ) 4.0 2.2 1.5 ! B.398 at -3.93e+05 assign (resid 49 and name HN ) (resid 51 and name HN ) 3.0 1.2 1.5 ! C.48 at -3.25e+05 assign (resid 49 and name HD2# ) (resid 52 and name HB2 ) 4.0 2.2 1.5 ! A.667 at 8.62e+05 assign (resid 49 and name HA ) (resid 52 and name HB2 ) 3.0 1.2 0.3 ! A.426 at -1.53e+06 assign (resid 49 and name HB# ) (resid 52 and name HB2 ) 4.0 2.2 0.5 ! A.755 at 3.70e+05 assign (resid 49 and name HA ) (resid 52 and name HD1# ) 3.0 1.2 0.8 ! A.745 at -1.67e+06 assign (resid 49 and name HA ) (resid 52 and name HB1 ) 4.0 2.2 1.6 ! A.742 at -1.63e+05 assign (resid 49 and name HA ) (resid 52 and name HG ) 3.0 1.2 0.3 ! A.434 at -1.00e+06 assign (resid 49 and name HD2# ) (resid 52 and name HD1# ) 2.5 0.7 1.2 ! A.435 at 7.39e+06 assign (resid 49 and name HA ) (resid 52 and name HD2# ) 4.0 2.2 1.2 ! A.672 at -3.04e+06 assign (resid 49 and name HA ) (resid 52 and name HN ) 3.0 1.2 0.5 ! B.367 at 2.21e+06 ! Y50 assign (resid 50 and name HA ) (resid 50 and name HB1 ) 2.5 0.7 0.6 ! A.660 at -3.45e+06 assign (resid 50 and name HA ) (resid 50 and name HB2 ) 3.0 1.2 0.3 ! A.662 at -3.45e+06 assign (resid 50 and name HA ) (resid 50 and name HD2 ) 2.5 0.7 0.3 ! A.868 at -2.59e+06 assign (resid 50 and name HA ) (resid 50 and name HD1 ) 3.0 1.2 0.8 ! A.869 at -2.59e+06 assign (resid 50 and name HB2 ) (resid 50 and name HD1 ) 3.0 1.2 0.8 ! A.664 at 3.40e+06 assign (resid 50 and name HB2 ) (resid 50 and name HD2 ) 2.5 0.7 0.5 ! A.663 at 3.40e+06 assign (resid 50 and name HB1 ) (resid 50 and name HD1 ) 2.5 0.7 0.5 ! A.659 at 3.23e+06 assign (resid 50 and name HB1 ) (resid 50 and name HD2 ) 3.0 1.2 0.8 ! A.658 at 3.23e+06 assign (resid 50 and name HB2 ) (resid 50 and name HE2 ) 4.0 2.2 0.6 ! A.872 at 7.73e+05 assign (resid 50 and name HB1 ) (resid 50 and name HE1 ) 4.0 2.2 0.6 ! A.873 at 7.73e+05 assign (resid 50 and name HA ) (resid 50 and name HN ) 2.5 0.7 0.3 ! B.319 at 3.61e+06 assign (resid 50 and name HD1 ) (resid 50 and name HN ) 4.0 2.2 1.0 ! B.539 at -1.59e+06 assign (resid 50 and name HD2 ) (resid 50 and name HN ) 3.0 1.2 0.8 ! B.325 at -1.59e+06 assign (resid 50 and name HB1 ) (resid 50 and name HN ) 2.5 0.7 0.5 ! B.321 at -8.21e+06 assign (resid 50 and name HB2 ) (resid 50 and name HN ) 2.5 0.7 0.3 ! B.320 at -8.21e+06 assign (resid 50 and name HB1 ) (resid 51 and name HB2 ) 4.0 2.2 1.0 ! A.661 at 4.33e+05 assign (resid 50 and name HD1 ) (resid 51 and name HA ) 3.0 1.2 0.5 ! A.876 at -4.68e+05 assign (resid 50 and name HD1 ) (resid 51 and name HG1 ) 3.0 1.2 1.2 ! A.875 at 6.68e+05 assign (resid 50 and name HD1 ) (resid 51 and name HG2 ) 3.0 1.2 0.3 ! A.874 at 6.68e+05 assign (resid 50 and name HA ) (resid 51 and name HN ) 3.0 1.2 0.5 ! B.347 at 1.09e+06 assign (resid 50 and name HD1 ) (resid 51 and name HN ) 3.0 1.2 0.5 ! B.540 at -7.68e+05 assign (resid 50 and name HD2 ) (resid 51 and name HN ) 4.0 2.2 1.2 ! B.350 at -7.68e+05 assign (resid 50 and name HB2 ) (resid 51 and name HN ) 3.0 1.2 0.5 ! B.346 at -3.39e+06 assign (resid 50 and name HB1 ) (resid 51 and name HN ) 2.5 0.7 0.3 ! B.345 at -3.39e+06 !!!!assign (resid 50 and name HN ) (resid 51 and name HB2 ) 4.0 2.2 1.5 ! B.532 at -3.34e+05 assign (resid 50 and name HN ) (resid 51 and name HN ) 2.5 0.7 0.4 ! C.47 at -3.99e+06 assign (resid 50 and name HA ) (resid 52 and name HN ) 4.0 2.2 1.0 ! B.369 at 2.51e+05 assign (resid 50 and name HN ) (resid 52 and name HN ) 3.0 1.2 1.0 ! C.45 at -5.68e+05 assign (resid 50 and name HD2 ) (resid 53 and name HB2 ) 4.0 2.2 1.0 ! A.895 at 5.18e+05 assign (resid 50 and name HD2 ) (resid 53 and name HB1 ) 4.0 2.2 1.3 ! A.896 at 3.31e+05 assign (resid 50 and name HA ) (resid 53 and name HB1 ) 3.0 1.2 0.5 ! A.673 at -1.50e+06 assign (resid 50 and name HA ) (resid 53 and name HB2 ) 2.5 0.7 0.5 ! A.894 at -1.50e+06 !!!!assign (resid 50 and name HN ) (resid 53 and name HB1 ) 4.0 2.2 1.5 ! B.315 at -3.35e+05 assign (resid 50 and name HA ) (resid 53 and name HN ) 3.0 1.2 1.0 ! B.403 at 2.11e+05 ! Q51 assign (resid 51 and name HB1 ) (resid 51 and name HA ) 2.5 0.7 0.5 ! A.416 at -1.23e+06 assign (resid 51 and name HB2 ) (resid 51 and name HA ) 3.0 1.2 0.3 ! A.907 at -1.03e+06 assign (resid 51 and name HG1 ) (resid 51 and name HA ) 3.0 1.2 0.5 ! A.415 at -2.43e+06 assign (resid 51 and name HG2 ) (resid 51 and name HA ) 3.0 1.2 0.5 ! A.412 at -2.43e+06 assign (resid 51 and name HA ) (resid 51 and name HN ) 2.5 0.7 0.5 ! B.344 at 3.46e+06 assign (resid 51 and name HB2 ) (resid 51 and name HN ) 3.0 1.2 0.5 ! B.352 at -2.38e+06 assign (resid 51 and name HB1 ) (resid 51 and name HN ) 3.0 1.2 0.5 ! B.351 at -3.73e+06 assign (resid 51 and name HG2 ) (resid 51 and name HN ) 3.0 1.2 0.5 ! B.353 at -2.32e+06 assign (resid 51 and name HG1 ) (resid 51 and name HN ) 3.0 1.2 0.5 ! B.355 at -3.00e+06 assign (resid 51 and name HA ) (resid 51 and name HE21 ) 4.0 2.2 0.8 ! B.452 at 4.95e+05 assign (resid 51 and name HB1 ) (resid 51 and name HE21 ) 3.0 1.2 1.0 ! B.453 at -6.91e+05 assign (resid 51 and name HB2 ) (resid 51 and name HE21 ) 4.0 2.2 1.0 ! B.454 at -7.04e+05 assign (resid 51 and name HG1 ) (resid 51 and name HE21 ) 3.0 1.2 0.5 ! B.456 at -2.09e+06 assign (resid 51 and name HG2 ) (resid 51 and name HE21 ) 2.5 0.7 0.3 ! B.455 at -3.02e+06 assign (resid 51 and name HB2 ) (resid 51 and name HE22 ) 4.0 2.2 1.0 ! B.446 at -4.28e+05 assign (resid 51 and name HG1 ) (resid 51 and name HE22 ) 3.0 1.2 1.2 ! B.451 at -8.27e+05 assign (resid 51 and name HG2 ) (resid 51 and name HE22 ) 3.0 1.2 0.6 ! B.448 at -1.09e+06 assign (resid 51 and name HA ) (resid 52 and name HN ) 3.0 1.2 0.5 ! B.368 at 2.21e+06 assign (resid 51 and name HB1 ) (resid 52 and name HN ) 3.0 1.2 0.7 ! B.361 at -1.28e+06 assign (resid 51 and name HB2 ) (resid 52 and name HN ) 3.0 1.2 0.5 ! B.362 at -1.20e+06 assign (resid 51 and name HG1 ) (resid 52 and name HN ) 4.0 2.2 0.5 ! B.533 at -5.92e+05 assign (resid 51 and name HG2 ) (resid 52 and name HN ) 4.0 2.2 1.0 ! B.364 at -5.92e+05 assign (resid 51 and name HN ) (resid 52 and name HG ) 4.0 2.2 1.0 ! B.397 at -3.22e+05 assign (resid 51 and name HN ) (resid 52 and name HB2 ) 4.0 2.2 1.0 ! B.400 at -3.94e+05 assign (resid 51 and name HN ) (resid 52 and name HN ) 2.5 0.7 0.4 ! C.51 at -3.91e+06 assign (resid 51 and name HB2 ) (resid 53 and name HN ) 4.0 3.2 1.5 ! B.375 at -2.49e+06 assign (resid 51 and name HA ) (resid 54 and name HB2 ) 3.0 1.2 0.3 ! A.409 at -1.05e+06 assign (resid 51 and name HA ) (resid 54 and name HB1 ) 3.0 1.2 0.5 ! A.408 at -1.05e+06 assign (resid 51 and name HA ) (resid 54 and name HN ) 3.0 1.2 1.0 ! B.385 at 8.50e+05 assign (resid 51 and name HA ) (resid 54 and name HD22 ) 4.0 2.2 1.0 ! B.460 at 7.44e+05 assign (resid 51 and name HB1 ) (resid 54 and name HD22 ) 4.0 2.2 2.0 ! B.464 at -2.73e+05 assign (resid 51 and name HB1 ) (resid 54 and name HD21 ) 4.0 2.2 0.5 ! B.464 at -2.73e+05 assign (resid 51 and name HA ) (resid 54 and name HD21 ) 3.0 1.2 1.0 ! B.457 at 4.00e+05 assign (resid 51 and name HB2 ) (resid 55 and name HE2 ) 4.0 2.2 1.0 ! A.481 at 8.09e+05 ! L52 assign (resid 52 and name HA ) (resid 52 and name HB1 ) 2.5 0.7 0.4 ! A.420 at -1.04e+06 assign (resid 52 and name HA ) (resid 52 and name HB2 ) 2.5 0.7 0.3 ! A.426 at -1.53e+06 assign (resid 52 and name HD1# ) (resid 52 and name HB2 ) 3.0 1.2 0.8 ! A.422 at 2.63e+06 assign (resid 52 and name HD2# ) (resid 52 and name HB1 ) 4.0 2.2 1.5 ! A.418 at 8.71e+05 assign (resid 52 and name HD1# ) (resid 52 and name HB1 ) 3.0 1.2 0.8 ! A.419 at 1.14e+06 assign (resid 52 and name HA ) (resid 52 and name HG ) 3.0 1.2 0.3 ! A.433 at -1.18e+06 assign (resid 52 and name HA ) (resid 52 and name HD1# ) 3.0 1.2 1.5 ! A.401 at -1.59e+06 assign (resid 52 and name HA ) (resid 52 and name HD2# ) 3.0 1.2 1.0 ! A.440 at -3.04e+06 assign (resid 52 and name HA ) (resid 52 and name HN ) 2.5 0.7 0.5 ! B.366 at 2.27e+06 assign (resid 52 and name HB1 ) (resid 52 and name HN ) 3.0 1.2 0.6 ! B.357 at -1.34e+06 assign (resid 52 and name HB2 ) (resid 52 and name HN ) 2.5 0.7 0.5 ! B.356 at -3.78e+06 assign (resid 52 and name HG ) (resid 52 and name HN ) 2.5 0.7 0.5 ! B.360 at -3.07e+06 assign (resid 52 and name HD1# ) (resid 52 and name HN ) 3.0 1.2 1.5 ! B.359 at -7.15e+05 assign (resid 52 and name HD2# ) (resid 52 and name HN ) 3.0 1.2 1.0 ! B.358 at -1.14e+06 assign (resid 52 and name HA ) (resid 53 and name HN ) 3.0 1.2 0.5 ! B.371 at 1.15e+06 assign (resid 52 and name HB2 ) (resid 53 and name HN ) 3.0 1.2 0.5 ! B.377 at -3.90e+05 assign (resid 52 and name HB1 ) (resid 53 and name HN ) 3.0 1.2 1.0 ! B.376 at -2.61e+05 assign (resid 52 and name HN ) (resid 53 and name HN ) 2.5 0.7 0.4 ! C.50 at -2.50e+06 assign (resid 52 and name HA ) (resid 54 and name HN ) 3.0 1.2 0.5 ! B.536 at 1.74e+06 assign (resid 52 and name HD1# ) (resid 55 and name HD2 ) 4.0 2.2 2.5 ! A.712 at 7.92e+05 assign (resid 52 and name HG ) (resid 55 and name HD2 ) 4.0 2.2 2.0 ! A.707 at 6.81e+05 assign (resid 52 and name HA ) (resid 55 and name HD2 ) 3.0 1.2 0.3 ! A.466 at -3.17e+06 assign (resid 52 and name HD2# ) (resid 55 and name HD2 ) 3.0 1.2 1.5 ! A.708 at -2.07e+06 assign (resid 52 and name HG ) (resid 55 and name HE2 ) 4.0 2.2 1.0 ! A.483 at 3.63e+05 assign (resid 52 and name HD2# ) (resid 55 and name HE2 ) 4.0 2.2 0.5 ! A.482 at 6.19e+05 assign (resid 52 and name HA ) (resid 55 and name HE2 ) 3.0 1.2 1.0 ! A.476 at -8.18e+05 assign (resid 52 and name HA ) (resid 55 and name HN ) 3.0 1.2 0.5 ! B.92 at 1.85e+06 ! E53 assign (resid 53 and name HA ) (resid 53 and name HB1 ) 2.5 0.7 0.4 ! A.908 at -4.11e+06 assign (resid 53 and name HA ) (resid 53 and name HB2 ) 2.5 0.7 0.4 ! A.909 at -3.51e+06 assign (resid 53 and name HA ) (resid 53 and name HN ) 3.0 1.2 0.5 ! B.372 at 1.15e+06 assign (resid 53 and name HG# ) (resid 53 and name HN ) 3.0 1.2 1.5 ! B.378 at -8.08e+05 assign (resid 53 and name HB1 ) (resid 53 and name HN ) 3.0 1.2 0.5 ! B.374 at -2.49e+06 assign (resid 53 and name HB2 ) (resid 53 and name HN ) 3.0 1.2 0.5 ! B.534 at -2.49e+06 assign (resid 53 and name HA ) (resid 54 and name HN ) 3.0 1.2 0.5 ! B.384 at 2.08e+06 assign (resid 53 and name HB1 ) (resid 54 and name HN ) 3.0 1.2 1.0 ! B.379 at -3.09e+06 assign (resid 53 and name HB2 ) (resid 54 and name HN ) 3.0 1.2 1.0 ! B.551 at -3.09e+06 assign (resid 53 and name HG# ) (resid 54 and name HN ) 4.0 2.2 1.5 ! B.393 at -4.50e+05 assign (resid 53 and name HN ) (resid 54 and name HN ) 2.5 0.7 0.4 ! C.52 at -8.61e+05 assign (resid 53 and name HA ) (resid 55 and name HD2 ) 4.0 2.2 1.0 ! A.846 at -3.17e+05 assign (resid 53 and name HA ) (resid 55 and name HN ) 3.0 1.2 0.8 ! B.102 at 1.85e+06 assign (resid 53 and name HN ) (resid 55 and name HN ) 3.0 1.2 1.3 ! C.55 at -7.99e+07 assign (resid 53 and name HA ) (resid 56 and name HB1 ) 4.0 2.2 0.5 ! A.674 at -3.97e+05 assign (resid 53 and name HA ) (resid 56 and name HN ) 3.0 1.2 0.5 ! B.387 at 1.74e+06 ! N54 assign (resid 54 and name HA ) (resid 54 and name HB1 ) 2.5 0.7 0.7 ! A.910 at -2.51e+06 assign (resid 54 and name HA ) (resid 54 and name HB2 ) 2.5 0.7 0.3 ! A.911 at -2.45e+06 assign (resid 54 and name HA ) (resid 54 and name HN ) 2.5 0.7 0.5 ! B.380 at 4.05e+06 assign (resid 54 and name HB2 ) (resid 54 and name HN ) 3.0 1.2 0.5 ! B.383 at -3.79e+06 assign (resid 54 and name HB1 ) (resid 54 and name HN ) 2.5 0.7 0.4 ! B.381 at -9.11e+06 assign (resid 54 and name HB1 ) (resid 54 and name HD22 ) 3.0 1.2 0.8 ! B.546 at -2.10e+06 assign (resid 54 and name HB2 ) (resid 54 and name HD22 ) 3.0 1.2 0.8 ! B.462 at -2.10e+06 assign (resid 54 and name HB1 ) (resid 54 and name HD21 ) 3.0 1.2 0.3 ! B.458 at -8.05e+05 assign (resid 54 and name HB2 ) (resid 54 and name HD21 ) 3.0 1.2 0.3 ! B.459 at -8.24e+05 assign (resid 54 and name HB2 ) (resid 55 and name HD2 ) 4.0 2.2 1.0 ! A.710 at 3.89e+05 assign (resid 54 and name HB1 ) (resid 55 and name HE1 ) 4.0 2.2 0.5 ! A.845 at 4.73e+05 assign (resid 54 and name HB1 ) (resid 55 and name HE2 ) 3.0 1.2 1.0 ! A.478 at 4.73e+05 assign (resid 54 and name HB2 ) (resid 55 and name HE2 ) 4.0 2.2 0.5 ! A.845 at 4.73e+05 assign (resid 54 and name HA ) (resid 55 and name HN ) 3.0 1.2 0.5 ! B.91 at 1.46e+06 assign (resid 54 and name HB2 ) (resid 55 and name HN ) 3.0 1.2 1.2 ! B.404 at -1.94e+06 assign (resid 54 and name HB1 ) (resid 55 and name HN ) 3.0 1.2 0.5 ! B.99 at -1.76e+06 assign (resid 54 and name HN ) (resid 55 and name HN ) 2.5 0.7 0.4 ! C.53 at -6.80e+06 assign (resid 54 and name HN ) (resid 55 and name HD2 ) 3.0 1.2 0.5 ! B.537 at -5.04e+05 assign (resid 54 and name HA ) (resid 56 and name HN ) 3.0 1.2 0.8 ! B.407 at 2.21e+06 assign (resid 54 and name HN ) (resid 56 and name HN ) 3.0 1.2 0.8 ! C.58 at -5.35e+07 ! Y55 assign (resid 55 and name HA ) (resid 55 and name HB2 ) 2.5 0.7 0.6 ! A.893 at -1.03e+06 assign (resid 55 and name HA ) (resid 55 and name HB1 ) 2.5 0.7 0.3 ! A.459 at -4.29e+06 assign (resid 55 and name HB1 ) (resid 55 and name HD2 ) 3.0 1.2 0.5 ! A.473 at 1.67e+06 assign (resid 55 and name HB1 ) (resid 55 and name HD1 ) 3.0 1.2 0.3 ! A.471 at 1.67e+06 assign (resid 55 and name HB2 ) (resid 55 and name HD1 ) 3.0 1.2 0.6 ! A.474 at 1.74e+06 assign (resid 55 and name HB2 ) (resid 55 and name HD2 ) 3.0 1.2 0.3 ! A.470 at 1.74e+06 assign (resid 55 and name HA ) (resid 55 and name HD1 ) 3.0 1.2 0.3 ! A.467 at -1.50e+06 assign (resid 55 and name HA ) (resid 55 and name HD2 ) 3.0 1.2 1.0 ! A.897 at -1.50e+06 assign (resid 55 and name HB1 ) (resid 55 and name HE1 ) 4.0 2.2 2.0 ! A.706 at 3.32e+05 assign (resid 55 and name HA ) (resid 55 and name HN ) 2.5 0.7 0.5 ! B.101 at 2.08e+06 assign (resid 55 and name HB1 ) (resid 55 and name HN ) 3.0 1.2 0.8 ! B.98 at -1.72e+06 assign (resid 55 and name HB2 ) (resid 55 and name HN ) 3.0 1.2 0.5 ! B.97 at -2.71e+06 assign (resid 55 and name HD1 ) (resid 55 and name HN ) 3.0 1.2 1.5 ! B.89 at -3.14e+06 assign (resid 55 and name HD2 ) (resid 55 and name HN ) 3.0 1.2 0.5 ! B.535 at -3.14e+06 assign (resid 55 and name HE2 ) (resid 55 and name HN ) 4.0 2.2 0.5 ! B.90 at -5.06e+05 assign (resid 55 and name HA ) (resid 56 and name HN ) 3.0 1.2 0.5 ! B.388 at 6.36e+05 assign (resid 55 and name HB1 ) (resid 56 and name HN ) 4.0 2.2 0.5 ! B.391 at -3.47e+05 assign (resid 55 and name HB2 ) (resid 56 and name HN ) 3.0 1.2 1.0 ! B.392 at -2.70e+05 assign (resid 55 and name HD2 ) (resid 56 and name HN ) 4.0 2.2 0.5 ! B.406 at -5.04e+05 assign (resid 55 and name HN ) (resid 56 and name HN ) 2.5 0.7 0.4 ! C.56 at -9.19e+06 ! C56 assign (resid 56 and name HA ) (resid 56 and name HB1 ) 2.5 0.7 0.3 ! A.503 at -1.58e+06 assign (resid 56 and name HA ) (resid 56 and name HB2 ) 3.0 1.2 0.3 ! A.152 at -1.15e+06 assign (resid 56 and name HA ) (resid 56 and name HN ) 2.5 0.7 0.6 ! B.386 at 1.10e+06 assign (resid 56 and name HB2 ) (resid 56 and name HN ) 2.5 0.7 0.3 ! B.390 at -1.10e+06 assign (resid 56 and name HB1 ) (resid 56 and name HN ) 3.0 1.2 0.5 ! B.389 at -2.18e+06 assign (resid 56 and name HA ) (resid 57 and name HN ) 2.5 0.7 0.3 ! B.409 at 3.02e+06 assign (resid 56 and name HB1 ) (resid 57 and name HN ) 3.0 1.2 1.0 ! B.413 at -1.52e+06 assign (resid 56 and name HB2 ) (resid 57 and name HN ) 4.0 2.2 0.5 ! B.414 at -7.27e+05 ! N57 assign (resid 57 and name HA ) (resid 57 and name HB2 ) 2.5 0.7 0.3 ! A.501 at -2.43e+06 assign (resid 57 and name HA ) (resid 57 and name HB1 ) 3.0 1.2 0.3 ! A.499 at -1.45e+06 assign (resid 57 and name HA ) (resid 57 and name HN ) 2.5 0.7 0.3 ! B.408 at 1.74e+06 assign (resid 57 and name HB1 ) (resid 57 and name HN ) 3.0 1.2 0.5 ! B.416 at -2.32e+06 assign (resid 57 and name HB2 ) (resid 57 and name HN ) 3.0 1.2 0.5 ! B.415 at -1.59e+06 assign (resid 57 and name HB2 ) (resid 57 and name HD21 ) 3.0 1.2 0.3 ! B.466 at -3.54e+06 assign (resid 57 and name HB1 ) (resid 57 and name HD21 ) 3.0 1.2 0.5 ! B.467 at -3.54e+06 assign (resid 57 and name HB1 ) (resid 57 and name HD22 ) 4.0 2.2 0.3 ! B.469 at -9.83e+05 assign (resid 57 and name HB2 ) (resid 57 and name HD22 ) 3.0 1.2 0.7 ! B.468 at -9.83e+05
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