NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type | subtype | subsubtype |
|
|
3153 |
1d8v   |
4522 | cing | recoord | 1-original | 3 | XPLOR/CNS | distance | NOE | simple |
! pck2xplr.nawk Table; Input File: noe13_combined.tbl142 ! Date: Sun Mar 15 15:32:49 EST 1998 ! Path: /net/instinct2/yxing/map30/xplor/xplor.tbl ! !@ BEGIN_XPLR_PCK_SUM ! LBL File-Name All Intra Seq. Short Long ! A strip.DIA 0 0 0 0 0 ! B trial.PCK 0 0 0 0 0 ! A test.PCK.cp 0 0 0 0 0 ! A strip.DIA 0 0 0 0 0 ! B trial.PCK 1457 0 853 326 278 ! A test.PCK.cp 26 0 21 5 0 ! A hahb.PCK 0 0 0 0 0 ! A hchc3d.PCK 0 0 0 0 0 ! A hchcnoe_4d.PCK 0 0 0 0 0 ! A hahb.PCK 0 0 0 0 0 ! A hchc3d.PCK 0 0 0 0 0 ! A hchcnoe_4d.PCK 0 0 0 0 0 ! A hchc3d.PCK 0 0 0 0 0 ! Total 1483 0 874 331 278 !@ END_XPLR_PCK_SUM !@ BEGIN_XPLR_NOE_FILE ! ! ! ! D1 assign (resid 1 and name HB1 ) (resid 2 and name HN ) 4.0 2.2 1.0 ! A.470 at 1.98e+06 assign (resid 1 and name HB2 ) (resid 2 and name HN ) 4.0 2.2 1.0 ! A.469 at 2.17e+06 assign (resid 1 and name HA ) (resid 2 and name HN ) 2.5 0.7 0.4 ! A.354 at 8.55e+06 assign (resid 1 and name HN ) (resid 2 and name HN ) 5.0 2.2 1.0 ! A.974 at 6.39e+05 assign (resid 1 and name HA ) (resid 2 and name HG2# ) 5.0 3.2 2.0 ! A.541 at 1.72e+06 assign (resid 1 and name HA ) (resid 24 and name HG2# ) 4.0 2.2 2.0 ! A.7421 at 1.01e+06 assign (resid 1 and name HA ) (resid 48 and name HG2# ) 4.0 2.2 2.0 ! A.7646 at 1.23e+06 assign (resid 1 and name HA ) (resid 48 and name HD1# ) 4.0 2.2 2.0 ! A.430 at 2.18e+06 assign (resid 1 and name HA ) (resid 48 and name HA ) 4.0 2.2 1.0 ! A.258 at 1.76e+06 assign (resid 1 and name HA ) (resid 48 and name HB ) 5.0 3.2 1.0 ! A.352 at 1.60e+06 assign (resid 1 and name HA ) (resid 49 and name HN ) 4.0 2.2 1.0 ! A.355 at 2.03e+06 assign (resid 1 and name HB1 ) (resid 49 and name HN ) 5.0 3.2 1.0 ! B.5204 at 1.98e-02 assign (resid 1 and name HA ) (resid 49 and name HB1 ) 5.0 3.2 1.0 ! A.25 at -4.02e+05 ! V2 assign (resid 2 and name HG2# ) (resid 3 and name HN ) 4.0 2.2 2.0 ! B.3764 at 9.22e-02 assign (resid 2 and name HB ) (resid 3 and name HN ) 5.0 3.2 1.0 ! B.3762 at 5.34e-02 assign (resid 2 and name HG1# ) (resid 3 and name HN ) 3.0 1.2 1.5 ! A.483 at 9.75e+06 assign (resid 2 and name HA ) (resid 3 and name HN ) 2.5 0.7 0.4 ! A.472 at 1.04e+07 assign (resid 2 and name HN ) (resid 3 and name HN ) 5.0 3.2 1.0 ! A.30 at 6.75e+05 assign (resid 2 and name HG1# ) (resid 3 and name HA ) 4.0 2.2 2.0 ! A.7319 at 9.84e+05 assign (resid 2 and name HA ) (resid 3 and name HB1 ) 5.0 3.2 1.0 ! A.165 at 1.03e+06 assign (resid 2 and name HA ) (resid 3 and name HA ) 5.0 3.2 1.0 ! A.172 at 9.94e+05 assign (resid 2 and name HG1# ) (resid 4 and name HB1 ) 5.0 3.2 2.0 ! A.818 at 1.11e+06 assign (resid 2 and name HG1# ) (resid 17 and name HA ) 4.0 2.2 2.0 ! A.482 at 2.19e+06 assign (resid 2 and name HG1# ) (resid 17 and name HB# ) 4.0 2.2 3.0 ! A.7315 at 1.44e+06 assign (resid 2 and name HG1# ) (resid 17 and name HD# ) 4.0 2.2 4.4 ! A.103 at 3.09e+06 assign (resid 2 and name HB ) (resid 17 and name HE# ) 4.0 2.2 3.4 ! A.696 at 1.44e+06 assign (resid 2 and name HG1# ) (resid 17 and name HE# ) 4.0 2.2 4.4 ! A.688 at 1.27e+06 assign (resid 2 and name HG1# ) (resid 20 and name HN ) 5.0 3.2 2.0 ! B.5598 at 2.63e-02 assign (resid 2 and name HG1# ) (resid 20 and name HB1 ) 5.0 3.2 2.0 ! A.858 at 1.53e+06 assign (resid 2 and name HG1# ) (resid 20 and name HB2 ) 5.0 3.2 2.0 ! A.881 at 1.76e+06 assign (resid 2 and name HG2# ) (resid 20 and name HB2 ) 4.0 2.2 2.0 ! A.857 at 3.66e+06 assign (resid 2 and name HG1# ) (resid 21 and name HN ) 3.0 1.2 1.5 ! B.284 at 1.55e-01 assign (resid 2 and name HG2# ) (resid 21 and name HN ) 4.0 2.2 2.0 ! B.315 at 9.02e-02 assign (resid 2 and name HG1# ) (resid 21 and name HB1 ) 4.0 2.2 2.0 ! A.7316 at 9.77e+05 assign (resid 2 and name HG1# ) (resid 21 and name HB2 ) 5.0 3.2 2.0 ! A.1029 at 1.29e+06 assign (resid 2 and name HG2# ) (resid 21 and name HA ) 4.0 2.2 2.0 ! A.1659 at 4.96e+06 assign (resid 2 and name HG1# ) (resid 21 and name HA ) 5.0 3.2 2.0 ! A.1660 at 1.47e+06 assign (resid 2 and name HG2# ) (resid 21 and name HD# ) 4.0 2.2 4.4 ! A.485 at 2.56e+06 assign (resid 2 and name HG2# ) (resid 24 and name HN ) 5.0 3.2 2.0 ! B.5602 at 2.83e-02 assign (resid 2 and name HG2# ) (resid 24 and name HB ) 3.0 1.2 1.3 ! A.917 at 6.06e+06 assign (resid 2 and name HG2# ) (resid 24 and name HG2# ) 2.5 0.7 2.2 ! A.1100 at 4.46e+06 assign (resid 2 and name HB ) (resid 24 and name HB ) 5.0 3.2 1.0 ! A.922 at 1.79e+06 assign (resid 2 and name HB ) (resid 48 and name HD1# ) 3.0 1.2 1.3 ! A.2243 at 8.42e+06 assign (resid 2 and name HA ) (resid 48 and name HD1# ) 4.0 2.2 2.0 ! A.1621 at 5.75e+06 assign (resid 2 and name HN ) (resid 49 and name HN ) 5.0 3.2 1.0 ! B.4004 at 1.98e-02 assign (resid 2 and name HN ) (resid 50 and name HA ) 5.0 3.2 1.0 ! A.391 at 1.15e+06 assign (resid 2 and name HN ) (resid 50 and name HD2# ) 5.0 3.2 2.0 ! B.5588 at 6.00e-02 assign (resid 2 and name HN ) (resid 50 and name HB1 ) 5.0 3.2 1.0 ! B.5645 at 2.84e-02 assign (resid 2 and name HB ) (resid 50 and name HA ) 5.0 3.2 1.0 ! A.476 at 1.38e+06 assign (resid 2 and name HG1# ) (resid 50 and name HA ) 5.0 3.2 2.0 ! A.2571 at 8.28e+05 assign (resid 2 and name HG1# ) (resid 50 and name HD2# ) 3.0 1.2 2.3 ! A.1998 at 6.82e+06 assign (resid 2 and name HB ) (resid 50 and name HD2# ) 3.0 1.2 1.3 ! A.477 at 5.78e+06 assign (resid 2 and name HG2# ) (resid 50 and name HD2# ) 3.0 1.2 2.2 ! A.463 at 2.66e+06 assign (resid 2 and name HN ) (resid 51 and name HN ) 5.0 3.2 1.0 ! B.4010 at 3.29e-02 ! N3 assign (resid 3 and name HN ) (resid 4 and name HN ) 5.0 3.2 1.0 ! B.2722 at 2.80e-02 assign (resid 3 and name HB1 ) (resid 4 and name HN ) 4.0 2.2 1.0 ! B.913 at 7.42e-02 assign (resid 3 and name HB2 ) (resid 4 and name HN ) 5.0 3.2 1.0 ! B.5158 at 4.41e-02 assign (resid 3 and name HA ) (resid 4 and name HN ) 2.5 0.7 0.4 ! A.41 at 6.72e+06 assign (resid 3 and name HN ) (resid 17 and name HD# ) 5.0 3.2 3.4 ! B.5522 at 2.58e-02 assign (resid 3 and name HN ) (resid 17 and name HE# ) 5.0 3.2 3.4 ! B.5521 at 3.56e-02 assign (resid 3 and name HA ) (resid 50 and name HA ) 5.0 3.2 1.0 ! A.44 at 8.05e+05 assign (resid 3 and name HN ) (resid 51 and name HB# ) 5.0 3.2 2.0 ! B.2724 at 3.84e-02 assign (resid 3 and name HA ) (resid 51 and name HN ) 4.0 2.2 1.0 ! A.43 at 3.10e+06 assign (resid 3 and name HA ) (resid 51 and name HB# ) 4.0 2.2 2.0 ! A.948 at 2.23e+06 assign (resid 3 and name HA ) (resid 52 and name HA ) 5.0 3.2 1.0 ! A.170 at 1.05e+06 assign (resid 3 and name HA ) (resid 52 and name HD2# ) 4.0 2.2 2.0 ! A.171 at 1.13e+06 assign (resid 3 and name HA ) (resid 52 and name HD1# ) 5.0 3.2 2.0 ! A.48 at 9.60e+05 ! F4 assign (resid 4 and name HN ) (resid 5 and name HN ) 5.0 3.2 1.0 ! B.5157 at 3.97e-02 assign (resid 4 and name HE# ) (resid 5 and name HN ) 5.0 3.2 3.4 ! B.3788 at 4.47e-02 assign (resid 4 and name HB1 ) (resid 5 and name HN ) 5.0 3.2 1.0 ! B.3790 at 6.15e-02 assign (resid 4 and name HB2 ) (resid 5 and name HN ) 5.0 3.2 1.0 ! B.3791 at 4.47e-02 assign (resid 4 and name HA ) (resid 5 and name HN ) 2.5 0.7 0.4 ! B.2576 at 5.88e-01 assign (resid 4 and name HD# ) (resid 5 and name HN ) 5.0 3.2 3.4 ! A.194 at 1.53e+06 assign (resid 4 and name HB1 ) (resid 5 and name HA ) 5.0 3.2 1.0 ! A.821 at 1.21e+06 assign (resid 4 and name HD# ) (resid 6 and name HD1# ) 4.0 2.2 4.4 ! A.535 at 4.08e+06 assign (resid 4 and name HE# ) (resid 6 and name HD1# ) 3.0 1.2 3.7 ! A.534 at 6.53e+06 assign (resid 4 and name HE# ) (resid 6 and name HD2# ) 4.0 2.2 4.4 ! A.493 at 6.55e+06 assign (resid 4 and name HE# ) (resid 9 and name HA ) 4.0 2.2 3.4 ! A.7270 at 1.15e+06 assign (resid 4 and name HE# ) (resid 9 and name HB# ) 2.5 0.7 3.6 ! A.6205 at 5.98e+06 assign (resid 4 and name HZ ) (resid 9 and name HB# ) 5.0 3.2 2.0 ! A.227 at -4.13e+05 assign (resid 4 and name HE# ) (resid 13 and name HG2# ) 3.0 1.2 3.7 ! A.7325 at 1.92e+06 assign (resid 4 and name HE# ) (resid 14 and name HN ) 4.0 2.2 3.4 ! B.3710 at 9.37e-02 assign (resid 4 and name HZ ) (resid 14 and name HB# ) 5.0 3.2 2.0 ! A.554 at 7.91e+05 assign (resid 4 and name HZ ) (resid 14 and name HD# ) 4.0 2.2 3.4 ! A.139 at 2.36e+06 assign (resid 4 and name HB1 ) (resid 17 and name HD# ) 4.0 2.2 3.4 ! A.561 at 1.19e+06 assign (resid 4 and name HZ ) (resid 17 and name HE# ) 4.0 2.2 3.4 ! A.553 at 2.33e+06 assign (resid 4 and name HB2 ) (resid 17 and name HE# ) 5.0 3.2 3.4 ! A.809 at 1.77e+06 assign (resid 4 and name HZ ) (resid 18 and name HG1# ) 5.0 3.2 2.0 ! A.236 at 1.01e+06 assign (resid 4 and name HN ) (resid 51 and name HB# ) 5.0 3.2 2.0 ! B.912 at 3.31e-02 assign (resid 4 and name HN ) (resid 51 and name HN ) 5.0 3.2 1.0 ! B.904 at 3.54e-02 assign (resid 4 and name HN ) (resid 52 and name HD1# ) 4.0 2.2 2.0 ! B.5590 at 1.05e-01 assign (resid 4 and name HN ) (resid 52 and name HA ) 5.0 3.2 1.0 ! A.357 at 1.21e+06 assign (resid 4 and name HB2 ) (resid 52 and name HA ) 4.0 2.2 1.0 ! A.261 at 1.49e+06 assign (resid 4 and name HB2 ) (resid 52 and name HD2# ) 5.0 3.2 2.0 ! A.813 at 1.61e+06 assign (resid 4 and name HB1 ) (resid 52 and name HD2# ) 4.0 2.2 2.0 ! A.815 at 1.82e+06 assign (resid 4 and name HD# ) (resid 52 and name HD1# ) 4.0 2.2 4.4 ! A.197 at 2.09e+06 assign (resid 4 and name HN ) (resid 53 and name HN ) 5.0 3.2 1.0 ! B.2988 at 2.42e-02 assign (resid 4 and name HB# ) (resid 53 and name HN ) 5.0 3.2 2.0 ! B.3027 at 4.71e-02 assign (resid 4 and name HZ ) (resid 127 and name HD2# ) 5.0 3.2 2.0 ! A.235 at 1.27e+06 assign (resid 4 and name HZ ) (resid 127 and name HD1# ) 4.0 2.2 2.0 ! A.555 at 1.50e+06 assign (resid 4 and name HE# ) (resid 127 and name HD2# ) 3.0 1.2 3.7 ! A.1933 at 8.02e+06 assign (resid 4 and name HZ ) (resid 127 and name HG ) 4.0 2.2 1.0 ! A.237 at 2.14e+06 assign (resid 4 and name HD# ) (resid 127 and name HD2# ) 3.0 1.2 3.7 ! A.1934 at 6.16e+06 assign (resid 4 and name HE# ) (resid 130 and name HD2# ) 3.0 1.2 3.7 ! A.7195 at 2.57e+06 assign (resid 4 and name HD# ) (resid 130 and name HD2# ) 3.0 1.2 3.7 ! A.7196 at 2.45e+06 ! D5 assign (resid 5 and name HA ) (resid 6 and name HN ) 2.5 0.7 0.4 ! B.3799 at 4.83e-01 assign (resid 5 and name HA ) (resid 6 and name HB2 ) 5.0 3.2 1.0 ! A.190 at 8.01e+05 assign (resid 5 and name HA ) (resid 6 and name HA ) 5.0 3.2 1.0 ! A.183 at 8.89e+05 assign (resid 5 and name HB2 ) (resid 52 and name HA ) 5.0 3.2 1.0 ! A.260 at 3.78e+06 assign (resid 5 and name HA ) (resid 52 and name HA ) 5.0 3.2 1.0 ! A.353 at 9.43e+05 assign (resid 5 and name HA ) (resid 53 and name HN ) 2.5 0.7 0.4 ! B.1014 at 2.57e-01 assign (resid 5 and name HB2 ) (resid 53 and name HB ) 4.0 2.2 1.0 ! A.3391 at 1.06e+06 assign (resid 5 and name HA ) (resid 53 and name HB ) 3.0 1.2 0.3 ! A.60 at -1.64e+06 assign (resid 5 and name HA ) (resid 53 and name HG2# ) 4.0 2.2 2.0 ! A.61 at -9.44e+05 assign (resid 5 and name HA ) (resid 53 and name HA ) 4.0 2.2 1.0 ! A.632 at 2.49e+06 assign (resid 5 and name HA ) (resid 54 and name HN ) 5.0 3.2 1.0 ! B.472 at 7.21e-02 ! L6 assign (resid 6 and name HB1 ) (resid 7 and name HN ) 4.0 2.2 1.0 ! B.5524 at 7.90e-02 assign (resid 6 and name HA ) (resid 7 and name HN ) 4.0 2.2 1.0 ! B.3813 at 8.39e-02 assign (resid 6 and name HN ) (resid 7 and name HN ) 4.0 2.2 1.0 ! B.3806 at 1.22e-01 assign (resid 6 and name HB2 ) (resid 7 and name HN ) 5.0 3.2 1.0 ! B.3814 at 2.65e-02 assign (resid 6 and name HG ) (resid 7 and name HA ) 4.0 2.2 1.0 ! A.1332 at 1.81e+06 assign (resid 6 and name HA ) (resid 8 and name HN ) 5.0 3.2 1.0 ! B.3819 at 3.88e-02 assign (resid 6 and name HA ) (resid 9 and name HN ) 4.0 2.2 1.0 ! B.3825 at 7.48e-02 assign (resid 6 and name HN ) (resid 9 and name HB# ) 5.0 3.2 2.0 ! B.3805 at 4.69e-02 assign (resid 6 and name HA ) (resid 9 and name HB# ) 2.5 0.7 1.2 ! A.2077 at 1.21e+07 assign (resid 6 and name HA ) (resid 9 and name HA ) 4.0 2.2 1.0 ! A.5408 at 9.32e+05 assign (resid 6 and name HD1# ) (resid 9 and name HB# ) 3.0 1.2 2.3 ! A.126 at 1.92e+06 assign (resid 6 and name HD1# ) (resid 9 and name HA ) 4.0 2.2 2.0 ! A.580 at 7.06e+05 assign (resid 6 and name HD2# ) (resid 9 and name HB# ) 4.0 2.2 3.0 ! A.142 at 9.97e+05 assign (resid 6 and name HN ) (resid 53 and name HN ) 5.0 3.2 1.0 ! B.1005 at 6.86e-02 assign (resid 6 and name HN ) (resid 53 and name HB ) 4.0 2.2 1.0 ! B.3800 at 1.16e-01 assign (resid 6 and name HN ) (resid 53 and name HG2# ) 4.0 2.2 2.0 ! B.3801 at 1.21e-01 assign (resid 6 and name HG ) (resid 54 and name HA ) 5.0 3.2 1.0 ! A.274 at 1.53e+06 assign (resid 6 and name HD2# ) (resid 54 and name HB# ) 4.0 2.2 3.0 ! A.2330 at 1.26e+06 assign (resid 6 and name HD2# ) (resid 54 and name HA ) 4.0 2.2 2.0 ! A.2331 at 2.77e+06 assign (resid 6 and name HB1 ) (resid 54 and name HA ) 5.0 3.2 1.0 ! A.949 at 2.28e+06 assign (resid 6 and name HA ) (resid 54 and name HA ) 5.0 3.2 1.0 ! A.1105 at 1.64e+06 assign (resid 6 and name HG ) (resid 54 and name HB# ) 5.0 3.2 2.0 ! A.1688 at 1.38e+06 assign (resid 6 and name HB2 ) (resid 55 and name HN ) 5.0 3.2 1.0 ! B.3248 at 6.59e-02 assign (resid 6 and name HN ) (resid 55 and name HD# ) 5.0 3.2 3.4 ! B.3804 at 3.67e-02 assign (resid 6 and name HN ) (resid 55 and name HD1 ) 5.0 3.2 1.0 ! B.3804 at 3.67e-02 assign (resid 6 and name HG ) (resid 55 and name HE# ) 4.0 2.2 3.4 ! A.72 at 2.10e+06 assign (resid 6 and name HD1# ) (resid 55 and name HE# ) 3.0 1.2 3.7 ! A.7150 at 2.48e+06 assign (resid 6 and name HA ) (resid 55 and name HD# ) 4.0 2.2 3.4 ! A.758 at 1.19e+06 assign (resid 6 and name HB2 ) (resid 55 and name HD# ) 5.0 3.2 3.4 ! A.202 at 1.26e+06 assign (resid 6 and name HA ) (resid 55 and name HD1) 4.0 2.2 1.0 ! A.184 at 1.40e+06 assign (resid 6 and name HB1 ) (resid 55 and name HD# ) 4.0 2.2 3.4 ! A.1200 at 1.17e+06 assign (resid 6 and name HG ) (resid 55 and name HB1 ) 5.0 3.2 1.0 ! A.1775 at 1.10e+06 assign (resid 6 and name HD2# ) (resid 55 and name HE# ) 3.0 1.2 3.7 ! A.492 at 5.60e+06 assign (resid 6 and name HD2# ) (resid 55 and name HD# ) 4.0 2.2 4.4 ! A.494 at 3.40e+06 assign (resid 6 and name HD1# ) (resid 127 and name HB2 ) 4.0 2.2 2.0 ! A.6557 at 1.10e+06 assign (resid 6 and name HD2# ) (resid 127 and name HA ) 4.0 2.2 2.0 ! A.5985 at 2.15e+06 assign (resid 6 and name HA ) (resid 127 and name HD2# ) 4.0 2.2 2.0 ! A.7279 at 1.07e+06 assign (resid 6 and name HD1# ) (resid 127 and name HB1 ) 5.0 3.2 2.0 ! A.2243 at 1.07e+06 assign (resid 6 and name HD1# ) (resid 127 and name HA ) 5.0 3.2 2.0 ! A.1829 at 3.51e+06 assign (resid 6 and name HD1# ) (resid 128 and name HA ) 3.0 1.2 1.3 ! A.2239 at 4.50e+06 assign (resid 6 and name HD2# ) (resid 130 and name HN ) 5.0 3.2 2.0 ! B.5311 at 2.05e-02 assign (resid 6 and name HD2# ) (resid 130 and name HB# ) 2.5 0.7 2.2 ! A.2326 at 1.02e+07 assign (resid 6 and name HD2# ) (resid 130 and name HD2# ) 3.0 1.2 2.3 ! A.143 at 1.30e+06 assign (resid 6 and name HD2# ) (resid 130 and name HD1# ) 4.0 2.2 3.0 ! A.2440 at 9.75e+05 assign (resid 6 and name HD1# ) (resid 130 and name HB# ) 4.0 2.2 3.0 ! A.2242 at 2.12e+06 assign (resid 6 and name HD2# ) (resid 131 and name HN ) 4.0 2.2 2.0 ! A.497 at 4.04e+06 assign (resid 6 and name HD1# ) (resid 131 and name HN ) 4.0 2.2 2.0 ! B.4447 at 8.30e-02 assign (resid 6 and name HG ) (resid 131 and name HB# ) 3.0 1.2 1.3 ! A.6806 at 2.96e+06 assign (resid 6 and name HD1# ) (resid 131 and name HB# ) 4.0 2.2 3.0 ! A.128 at 5.31e+05 assign (resid 6 and name HD1# ) (resid 131 and name HA ) 4.0 2.2 2.0 ! A.6061 at 2.44e+06 assign (resid 6 and name HD2# ) (resid 131 and name HA ) 5.0 3.2 2.0 ! A.1254 at 8.83e+05 assign (resid 6 and name HB1 ) (resid 131 and name HB# ) 4.0 2.2 2.0 ! A.1201 at 1.44e+06 assign (resid 6 and name HD2# ) (resid 132 and name HN ) 5.0 3.2 2.0 ! B.5749 at 1.01e-02 assign (resid 6 and name HD1# ) (resid 134 and name HD1# ) 3.0 1.2 2.3 ! A.1744 at 1.50e+06 assign (resid 6 and name HD2# ) (resid 134 and name HD1# ) 3.0 1.2 2.3 ! A.1743 at 1.37e+06 ! S7 assign (resid 7 and name HA ) (resid 8 and name HN ) 5.0 3.2 1.0 ! B.3559 at 3.52e-02 assign (resid 7 and name HB# ) (resid 8 and name HN ) 5.0 3.2 2.0 ! B.3817 at 2.86e-02 assign (resid 7 and name HN ) (resid 8 and name HN ) 4.0 2.2 1.0 ! B.2491 at 1.22e-01 assign (resid 7 and name HA ) (resid 8 and name HG2# ) 5.0 3.2 2.0 ! A.1333 at 1.57e+06 assign (resid 7 and name HN ) (resid 9 and name HN ) 5.0 3.2 1.0 ! B.2825 at 1.54e-02 assign (resid 7 and name HA ) (resid 9 and name HN ) 5.0 3.2 1.0 ! B.406 at 1.87e-02 assign (resid 7 and name HB# ) (resid 9 and name HN ) 5.0 3.2 2.0 ! B.3824 at 9.84e-03 assign (resid 7 and name HB# ) (resid 53 and name HG2# ) 3.0 1.2 2.3 ! A.6689 at 1.54e+06 assign (resid 7 and name HN ) (resid 55 and name HD# ) 3.0 1.2 2.9 ! B.5162 at 1.82e-01 assign (resid 7 and name HB# ) (resid 55 and name HB1 ) 4.0 2.2 2.0 ! A.6522 at 1.22e+06 assign (resid 7 and name HA ) (resid 55 and name HD# ) 4.0 2.2 3.4 ! A.193 at 2.26e+06 assign (resid 7 and name HA ) (resid 55 and name HE# ) 5.0 3.2 3.4 ! A.818 at 8.82e+05 assign (resid 7 and name HA ) (resid 55 and name HA ) 4.0 2.2 1.0 ! A.2567 at 5.46e+05 assign (resid 7 and name HB# ) (resid 57 and name HE# ) 4.0 2.2 4.4 ! A.6997 at 1.28e+06 assign (resid 7 and name HB# ) (resid 57 and name HA ) 3.0 1.2 1.3 ! A.389 at 3.70e+06 ! T8 assign (resid 8 and name HN ) (resid 9 and name HN ) 3.0 1.2 0.5 ! B.5164 at 2.08e-01 assign (resid 8 and name HA ) (resid 9 and name HN ) 4.0 2.2 1.0 ! B.3823 at 1.32e-01 assign (resid 8 and name HG2# ) (resid 9 and name HN ) 4.0 2.2 2.0 ! A.650 at 1.87e+06 assign (resid 8 and name HN ) (resid 9 and name HB# ) 5.0 3.2 2.0 ! B.2483 at 6.32e-02 ! A9 assign (resid 9 and name HN ) (resid 10 and name HN ) 5.0 3.2 1.0 ! B.402 at 2.83e-02 assign (resid 9 and name HA ) (resid 10 and name HN ) 2.5 0.7 0.4 ! B.3831 at 5.47e-01 assign (resid 9 and name HB# ) (resid 10 and name HN ) 2.5 0.7 1.4 ! B.3832 at 2.14e-01 assign (resid 9 and name HA ) (resid 10 and name HG2# ) 4.0 2.2 2.0 ! A.5383 at 1.21e+06 assign (resid 9 and name HA ) (resid 10 and name HA ) 4.0 2.2 1.0 ! A.5381 at 1.26e+06 assign (resid 9 and name HB# ) (resid 10 and name HA ) 4.0 2.2 2.0 ! A.2079 at 6.96e+06 assign (resid 9 and name HA ) (resid 13 and name HB ) 4.0 2.2 1.0 ! A.4938 at 8.61e+05 assign (resid 9 and name HA ) (resid 13 and name HG2# ) 5.0 3.2 2.0 ! A.1911 at 1.38e+06 assign (resid 9 and name HB# ) (resid 55 and name HE# ) 3.0 1.2 3.7 ! A.6206 at 1.81e+06 assign (resid 9 and name HB# ) (resid 127 and name HD2# ) 3.0 1.2 2.3 ! A.1805 at 1.03e+06 assign (resid 9 and name HB# ) (resid 127 and name HD1# ) 2.5 0.7 2.2 ! A.7556 at 6.79e+06 assign (resid 9 and name HB# ) (resid 173 and name HG1# ) 3.0 1.2 2.3 ! A.223 at 1.23e+06 ! T10 assign (resid 10 and name HA ) (resid 11 and name HN ) 2.5 0.7 0.4 ! B.267 at 9.28e-01 assign (resid 10 and name HB ) (resid 11 and name HN ) 2.5 0.7 0.4 ! B.266 at 5.57e-01 assign (resid 10 and name HG2# ) (resid 11 and name HN ) 3.0 1.2 1.5 ! B.3838 at 1.91e-01 assign (resid 10 and name HB ) (resid 11 and name HB# ) 4.0 2.2 2.0 ! A.6381 at 1.17e+06 assign (resid 10 and name HB ) (resid 12 and name HN ) 5.0 3.2 1.0 ! B.3225 at 1.74e-02 assign (resid 10 and name HA ) (resid 12 and name HN ) 4.0 2.2 1.0 ! B.5111 at 2.03e-01 assign (resid 10 and name HA ) (resid 13 and name HN ) 4.0 2.2 1.0 ! B.6131 at 3.03e-01 assign (resid 10 and name HA ) (resid 13 and name HB ) 4.0 2.2 1.0 ! B.4091 at 1.53e+06 assign (resid 10 and name HB ) (resid 13 and name HN ) 5.0 3.2 1.0 ! B.3848 at 1.99e-02 assign (resid 10 and name HN ) (resid 13 and name HN ) 5.0 3.2 1.0 ! B.3847 at 6.04e-02 assign (resid 10 and name HG2# ) (resid 13 and name HN ) 4.0 2.2 2.0 ! A.657 at 3.54e+06 assign (resid 10 and name HN ) (resid 13 and name HG2# ) 4.0 2.2 2.0 ! B.3836 at 8.53e-02 assign (resid 10 and name HB ) (resid 13 and name HG2# ) 4.0 2.2 2.0 ! A.6380 at 1.45e+06 assign (resid 10 and name HN ) (resid 14 and name HN ) 5.0 3.2 1.0 ! B.3722 at 4.94e-02 assign (resid 10 and name HN ) (resid 173 and name HG1# ) 5.0 3.2 2.0 ! B.5168 at 2.83e-02 assign (resid 10 and name HB ) (resid 173 and name HG2# ) 4.0 2.2 2.0 ! A.6382 at 1.12e+06 assign (resid 10 and name HA ) (resid 173 and name HB ) 5.0 3.2 1.0 ! A.3842 at 9.45e+05 assign (resid 10 and name HA ) (resid 173 and name HG1# ) 2.5 0.7 1.2 ! A.700 at 2.28e+06 ! A11 assign (resid 11 and name HN ) (resid 12 and name HN ) 4.0 2.2 1.0 ! B.3837 at 9.21e-02 assign (resid 11 and name HA ) (resid 14 and name HN ) 4.0 2.2 1.0 ! B.3714 at 7.22e-02 assign (resid 11 and name HA ) (resid 14 and name HB# ) 4.0 2.2 2.0 ! A.197 at 1.38e+06 assign (resid 11 and name HA ) (resid 127 and name HD1# ) 5.0 3.2 2.0 ! A.1807 at 4.76e+05 assign (resid 11 and name HB# ) (resid 127 and name HD1# ) 5.0 3.2 3.0 ! A.1808 at 4.80e+05 assign (resid 11 and name HA ) (resid 170 and name HA ) 5.0 3.2 1.0 ! A.2182 at 4.14e+05 assign (resid 11 and name HN ) (resid 173 and name HG* ) 2.5 0.7 2.4 ! B.3839 at 3.06e-01 assign (resid 11 and name HA ) (resid 173 and name HG* ) 4.0 2.2 2.0 ! A.716 at 3.16e+06 ! K12 assign (resid 12 and name HN ) (resid 13 and name HN ) 5.0 3.2 1.0 ! B.3840 at 2.95e-02 assign (resid 12 and name HA ) (resid 13 and name HN ) 4.0 2.2 1.0 ! B.3849 at 7.05e-02 assign (resid 12 and name HB1 ) (resid 13 and name HN ) 3.0 1.2 0.5 ! B.3850 at 2.00e-01 assign (resid 12 and name HB1 ) (resid 13 and name HB ) 4.0 2.2 1.0 ! A.6542 at 1.33e+06 assign (resid 12 and name HG# ) (resid 13 and name HA ) 5.0 3.2 2.0 ! A.1184 at 1.37e+06 assign (resid 12 and name HG# ) (resid 13 and name HB ) 5.0 3.2 2.0 ! A.321 at 3.03e+05 assign (resid 12 and name HE# ) (resid 13 and name HG2# ) 4.0 2.2 3.0 ! A.329 at -7.20e+05 assign (resid 12 and name HG# ) (resid 14 and name HN ) 5.0 3.2 2.0 ! B.3718 at 6.08e-02 assign (resid 12 and name HB1 ) (resid 14 and name HN ) 5.0 3.2 1.0 ! B.3721 at 2.64e-02 assign (resid 12 and name HA ) (resid 15 and name HB ) 3.0 1.3 0.3 ! A.6196 at 4.40e+06 assign (resid 12 and name HA ) (resid 15 and name HG2# ) 4.0 2.2 2.0 ! A.356 at 6.42e+05 ! T13 assign (resid 13 and name HG2# ) (resid 14 and name HN ) 5.0 3.2 2.0 ! B.3719 at 4.71e-02 assign (resid 13 and name HN ) (resid 14 and name HN ) 3.0 1.2 0.5 ! B.5530 at 1.80e-01 assign (resid 13 and name HA ) (resid 14 and name HN ) 5.0 3.2 1.0 ! B.3713 at 5.02e-02 assign (resid 13 and name HA ) (resid 16 and name HN ) 4.0 2.2 1.0 ! B.3862 at 1.22e-01 assign (resid 13 and name HA ) (resid 16 and name HB# ) 3.0 1.2 1.3 ! A.5414 at 2.22e+06 assign (resid 13 and name HA ) (resid 16 and name HB2 ) 3.0 1.2 0.3 ! A.162 at 3.36e+06 assign (resid 13 and name HA ) (resid 16 and name HB1 ) 4.0 2.2 1.0 ! A.1183 at 3.01e+06 assign (resid 13 and name HG2# ) (resid 16 and name HB1 ) 4.0 2.2 2.0 ! A.327 at 6.82e+05 assign (resid 13 and name HA ) (resid 17 and name HN ) 5.0 3.2 1.0 ! A.1182 at 1.41e+06 assign (resid 13 and name HG2# ) (resid 17 and name HN ) 5.0 3.2 2.0 ! B.5178 at 5.95e-02 ! Y14 assign (resid 14 and name HN ) (resid 15 and name HN ) 3.0 1.2 0.5 ! B.5529 at 1.80e-01 assign (resid 14 and name HA ) (resid 15 and name HN ) 5.0 3.2 1.0 ! B.5175 at 4.42e-02 assign (resid 14 and name HB# ) (resid 15 and name HN ) 4.0 2.2 2.0 ! B.5172 at 1.19e-01 assign (resid 14 and name HD# ) (resid 15 and name HN ) 5.0 3.2 3.4 ! A.140 at 1.46e+06 assign (resid 14 and name HN ) (resid 16 and name HN ) 5.0 3.2 1.0 ! B.2701 at 2.56e-02 assign (resid 14 and name HA ) (resid 17 and name HN ) 4.0 2.2 1.0 ! B.5179 at 9.34e-02 assign (resid 14 and name HA ) (resid 17 and name HB# ) 4.0 2.2 2.0 ! A.207 at 1.29e+06 assign (resid 14 and name HA ) (resid 17 and name HD# ) 5.0 3.2 3.4 ! A.559 at 8.46e+05 assign (resid 14 and name HB# ) (resid 17 and name HD# ) 5.0 3.2 4.4 ! A.102 at 8.77e+05 assign (resid 14 and name HA ) (resid 18 and name HG1# ) 4.0 2.2 2.0 ! A.7103 at 1.15e+06 assign (resid 14 and name HD# ) (resid 18 and name HG1# ) 5.0 3.2 4.4 ! A.131 at 1.55e+06 assign (resid 14 and name HE# ) (resid 18 and name HD1# ) 4.0 2.2 4.4 ! A.835 at 2.69e+06 assign (resid 14 and name HN ) (resid 127 and name HD1# ) 5.0 3.2 2.0 ! B.5170 at 3.11e-02 assign (resid 14 and name HB# ) (resid 127 and name HD1# ) 4.0 2.2 3.0 ! A.2175 at 2.08e+06 assign (resid 14 and name HD# ) (resid 127 and name HD2# ) 5.0 3.2 4.4 ! A.134 at 1.26e+06 assign (resid 14 and name HE# ) (resid 127 and name HD2# ) 5.0 3.2 4.4 ! A.306 at 9.67e+05 assign (resid 14 and name HE# ) (resid 127 and name HG ) 5.0 3.2 3.4 ! A.307 at 1.02e+06 assign (resid 14 and name HE# ) (resid 159 and name HB# ) 4.0 2.2 4.4 ! A.127 at 1.32e+06 assign (resid 14 and name HE# ) (resid 166 and name HA ) 5.0 3.2 3.4 ! A.308 at 1.17e+06 assign (resid 14 and name HD# ) (resid 166 and name HB# ) 4.0 2.2 4.4 ! A.132 at 2.10e+06 assign (resid 14 and name HE# ) (resid 169 and name HN ) 5.0 3.2 3.4 ! B.4653 at 5.10e-02 assign (resid 14 and name HE# ) (resid 169 and name HB ) 4.0 2.2 3.4 ! A.1712 at 2.27e+06 assign (resid 14 and name HE# ) (resid 169 and name HG2# ) 4.0 2.2 4.4 ! A.7259 at 1.10e+06 assign (resid 14 and name HE# ) (resid 169 and name HG1# ) 5.0 3.2 4.4 ! A.305 at 1.48e+06 assign (resid 14 and name HD# ) (resid 169 and name HG2# ) 5.0 3.2 4.4 ! A.1419 at -4.16e+05 assign (resid 14 and name HD# ) (resid 170 and name HA ) 4.0 2.2 3.4 ! A.720 at 1.28e+06 assign (resid 14 and name HE# ) (resid 170 and name HB# ) 4.0 2.2 3.7 ! A.254 at -1.07e+06 assign (resid 14 and name HD# ) (resid 170 and name HB# ) 4.0 2.2 4.4 ! A.151 at 3.25e+06 assign (resid 14 and name HB# ) (resid 170 and name HB# ) 3.0 1.2 2.3 ! A.5325 at 1.66e+06 ! T15 assign (resid 15 and name HA ) (resid 16 and name HN ) 5.0 3.2 1.0 ! B.3864 at 5.79e-02 assign (resid 15 and name HG2# ) (resid 16 and name HN ) 4.0 2.2 2.0 ! B.620 at 7.79e-02 assign (resid 15 and name HB ) (resid 16 and name HN ) 4.0 2.2 1.0 ! B.3863 at 1.22e-01 assign (resid 15 and name HN ) (resid 16 and name HN ) 4.0 2.2 1.0 ! B.597 at 8.13e-02 assign (resid 15 and name HG2# ) (resid 16 and name HA ) 3.0 1.2 1.3 ! A.7509 at 1.55e+06 assign (resid 15 and name HA ) (resid 18 and name HN ) 4.0 2.2 1.0 ! B.941 at 7.57e-02 assign (resid 15 and name HA ) (resid 18 and name HG2# ) 4.0 2.2 2.0 ! A.6112 at 7.31e+06 assign (resid 15 and name HA ) (resid 18 and name HB ) 5.0 3.2 1.0 ! A.1049 at 1.32e+06 assign (resid 15 and name HG2# ) (resid 19 and name HN ) 5.0 3.2 2.0 ! B.2938 at 2.03e-02 assign (resid 15 and name HG2# ) (resid 19 and name HG# ) 4.0 2.2 3.0 ! A.1115 at 2.65e+06 assign (resid 15 and name HG2# ) (resid 19 and name HB2 ) 4.0 2.2 2.0 ! A.2608 at 2.58e+06 assign (resid 15 and name HG2# ) (resid 167 and name HD# ) 5.0 3.2 3.0 ! A.1440 at -4.55e+05 assign (resid 15 and name HN ) (resid 170 and name HB# ) 5.0 3.2 2.0 ! B.3859 at 6.16e-02 ! K16 assign (resid 16 and name HN ) (resid 17 and name HN ) 4.0 2.2 1.0 ! B.599 at 1.16e-01 assign (resid 16 and name HN ) (resid 17 and name HB# ) 5.0 3.2 2.0 ! B.2893 at 2.47e-02 assign (resid 16 and name HB# ) (resid 17 and name HN ) 4.0 2.2 2.0 ! B.758 at 1.39e-01 assign (resid 16 and name HA ) (resid 17 and name HN ) 4.0 2.2 1.0 ! B.5555 at 9.34e-02 assign (resid 16 and name HN ) (resid 18 and name HN ) 5.0 3.2 1.0 ! B.3003 at 6.65e-02 !assign (resid 16 and name HN ) (resid 18 and name HG2# ) 5.0 3.2 2.0 ! A.2233 at 4.85e+06 assign (resid 16 and name HA ) (resid 19 and name HN ) 5.0 3.2 1.0 ! B.735 at 6.98e-02 assign (resid 16 and name HA ) (resid 19 and name HG# ) 5.0 3.2 2.0 ! A.1091 at 1.51e+06 assign (resid 16 and name HA ) (resid 19 and name HB# ) 3.0 1.2 1.3 ! A.4183 at 2.01e+06 assign (resid 16 and name HA ) (resid 19 and name HB1 ) 4.0 2.2 1.0 ! A.1591 at 2.48e+06 assign (resid 16 and name HA ) (resid 19 and name HB2 ) 4.0 2.2 1.0 ! A.1587 at 1.89e+06 assign (resid 16 and name HG# ) (resid 19 and name HB2 ) 4.0 2.2 2.0 ! A.1867 at 2.83e+06 assign (resid 16 and name HA ) (resid 20 and name HN ) 5.0 3.2 1.0 ! B.378 at 3.81e-02 !assign (resid 16 and name HA ) (resid 22 and name HG# ) 5.0 3.2 2.0 ! A.1221 at 8.15e+05 ! F17 assign (resid 17 and name HN ) (resid 18 and name HN ) 2.5 0.7 0.4 ! A.980 at 3.01e+06 assign (resid 17 and name HD# ) (resid 18 and name HN ) 5.0 3.2 3.4 ! A.106 at 1.37e+06 assign (resid 17 and name HE# ) (resid 18 and name HN ) 5.0 3.2 3.4 ! B.5706 at 5.39e-02 assign (resid 17 and name HB# ) (resid 18 and name HN ) 4.0 2.2 2.0 ! B.944 at 1.38e-01 assign (resid 17 and name HA ) (resid 18 and name HN ) 5.0 3.2 1.0 ! B.3876 at 6.94e-02 assign (resid 17 and name HE# ) (resid 18 and name HD1# ) 3.0 1.2 3.7 ! A.868 at 6.39e+06 assign (resid 17 and name HD# ) (resid 18 and name HG1# ) 5.0 3.2 4.4 ! A.562 at 9.69e+05 assign (resid 17 and name HD# ) (resid 18 and name HD1# ) 5.0 3.2 4.4 ! A.104 at 1.41e+06 assign (resid 17 and name HE# ) (resid 18 and name HG1# ) 5.0 3.2 4.4 ! A.116 at 1.13e+06 assign (resid 17 and name HN ) (resid 19 and name HN ) 5.0 3.2 1.0 ! B.5176 at 2.66e-02 assign (resid 17 and name HA ) (resid 20 and name HN ) 5.0 3.2 1.0 ! B.336 at 4.51e-02 assign (resid 17 and name HN ) (resid 20 and name HN ) 5.0 3.2 1.0 ! B.5539 at 1.79e-02 assign (resid 17 and name HD# ) (resid 20 and name HN ) 5.0 3.2 3.4 ! B.3885 at 2.04e-02 assign (resid 17 and name HA ) (resid 20 and name HB# ) 4.0 2.2 2.0 ! A.4161 at 9.32e+05 assign (resid 17 and name HA ) (resid 20 and name HB1 ) 4.0 2.2 1.0 ! A.230 at 1.35e+06 assign (resid 17 and name HA ) (resid 20 and name HB2 ) 4.0 2.2 1.0 ! A.229 at 2.61e+06 assign (resid 17 and name HZ ) (resid 50 and name HB2 ) 5.0 3.2 1.0 ! A.256 at 9.24e+05 assign (resid 17 and name HZ ) (resid 50 and name HB1 ) 5.0 3.2 1.0 ! A.257 at 9.09e+05 assign (resid 17 and name HZ ) (resid 50 and name HD2# ) 5.0 3.2 2.0 ! A.792 at 9.83e+05 assign (resid 17 and name HZ ) (resid 50 and name HD1# ) 4.0 2.2 2.0 ! A.795 at 1.93e+06 assign (resid 17 and name HE# ) (resid 51 and name HN ) 5.0 3.2 3.4 ! B.5760 at 2.77e-02 assign (resid 17 and name HE# ) (resid 52 and name HD2# ) 2.5 0.7 3.6 ! A.2224 at 1.63e+07 assign (resid 17 and name HZ ) (resid 64 and name HD1# ) 4.0 2.2 2.0 ! A.2517 at 5.01e+05 assign (resid 17 and name HZ ) (resid 156 and name HA ) 4.0 2.2 1.0 ! A.6797 at 1.33e+06 assign (resid 17 and name HZ ) (resid 156 and name HG2# ) 2.5 0.7 1.2 ! A.2673 at 1.03e+07 assign (resid 17 and name HE# ) (resid 156 and name HG2# ) 3.0 1.2 3.7 ! A.7536 at 1.94e+06 assign (resid 17 and name HE# ) (resid 156 and name HA ) 3.0 1.2 2.7 ! A.686 at 3.61e+06 assign (resid 17 and name HZ ) (resid 156 and name HB ) 4.0 2.2 1.0 ! A.1173 at 4.59e+06 ! I18 assign (resid 18 and name HG1# ) (resid 19 and name HN ) 5.0 3.2 2.0 ! B.3882 at 2.22e-02 assign (resid 18 and name HA ) (resid 19 and name HN ) 5.0 3.2 1.0 ! B.726 at 6.41e-02 assign (resid 18 and name HN ) (resid 19 and name HN ) 4.0 2.2 1.0 ! B.3879 at 1.25e-01 assign (resid 18 and name HG2# ) (resid 19 and name HN ) 5.0 3.2 2.0 ! B.3883 at 6.11e-02 assign (resid 18 and name HB ) (resid 19 and name HN ) 4.0 2.2 1.0 ! B.5182 at 8.76e-02 assign (resid 18 and name HN ) (resid 19 and name HB2 ) 5.0 3.2 1.0 ! B.3004 at 3.68e-02 assign (resid 18 and name HG2# ) (resid 19 and name HG# ) 5.0 3.2 3.0 ! A.1098 at 1.21e+06 assign (resid 18 and name HG2# ) (resid 21 and name HD# ) 4.0 2.2 4.4 ! A.571 at 2.30e+06 assign (resid 18 and name HD1# ) (resid 21 and name HD# ) 5.0 3.2 4.4 ! A.413 at 4.94e+05 assign (resid 18 and name HD1# ) (resid 21 and name HB1 ) 5.0 3.2 2.0 ! A.878 at 8.54e+05 assign (resid 18 and name HA ) (resid 21 and name HB2 ) 5.0 3.2 1.0 ! A.240 at 1.09e+06 assign (resid 18 and name HA ) (resid 21 and name HB1 ) 4.0 2.2 1.0 ! A.241 at 1.65e+06 assign (resid 18 and name HA ) (resid 21 and name HD# ) 4.0 2.2 3.4 ! A.211 at 1.60e+06 assign (resid 18 and name HD1# ) (resid 156 and name HA ) 4.0 2.2 2.0 ! A.976 at 2.75e+06 assign (resid 18 and name HD1# ) (resid 159 and name HN ) 5.0 3.2 2.0 ! B.2994 at 2.60e-02 assign (resid 18 and name HG2# ) (resid 159 and name HB# ) 5.0 3.2 3.0 ! A.415 at 4.96e+05 assign (resid 18 and name HD1# ) (resid 159 and name HB# ) 3.0 1.2 2.3 ! A.980 at 5.94e+06 assign (resid 18 and name HG1# ) (resid 159 and name HB# ) 4.0 2.2 3.0 ! A.1476 at 6.13e+05 assign (resid 18 and name HD1# ) (resid 160 and name HN ) 4.0 2.2 2.0 ! B.1246 at 7.67e-02 assign (resid 18 and name HD1# ) (resid 160 and name HA ) 5.0 3.2 2.0 ! A.977 at 1.25e+06 assign (resid 18 and name HG1# ) (resid 160 and name HA ) 3.0 1.2 1.3 ! A.858 at 6.07e+06 assign (resid 18 and name HD1# ) (resid 160 and name HB# ) 4.0 2.2 3.0 ! A.1470 at -5.81e+05 assign (resid 18 and name HG2# ) (resid 160 and name HA ) 3.0 1.2 1.3 ! A.1466 at 1.47e+06 assign (resid 18 and name HD1# ) (resid 162 and name HN ) 5.0 3.2 2.0 ! B.4623 at 2.77e-02 assign (resid 18 and name HB ) (resid 163 and name HD# ) 5.0 3.2 2.0 ! A.422 at -1.08e+06 assign (resid 18 and name HD1# ) (resid 166 and name HN ) 4.0 2.2 2.0 ! B.5362 at 8.60e-02 assign (resid 18 and name HG2# ) (resid 166 and name HG# ) 3.0 1.2 2.3 ! A.6277 at 2.59e+06 assign (resid 18 and name HG2# ) (resid 166 and name HB# ) 3.0 1.2 2.3 ! A.6287 at 1.81e+06 assign (resid 18 and name HD1# ) (resid 166 and name HG# ) 4.0 2.2 3.0 ! A.6048 at 9.00e+05 assign (resid 18 and name HG1# ) (resid 166 and name HA ) 4.0 2.2 2.0 ! A.438 at 1.57e+06 ! E19 assign (resid 19 and name HB1 ) (resid 20 and name HN ) 4.0 2.2 1.0 ! B.3888 at 7.62e-02 assign (resid 19 and name HA ) (resid 20 and name HN ) 5.0 3.2 1.0 ! B.381 at 4.30e-02 assign (resid 19 and name HB2 ) (resid 20 and name HN ) 4.0 2.2 1.0 ! B.5597 at 9.59e-02 assign (resid 19 and name HN ) (resid 20 and name HN ) 3.0 1.2 0.5 ! B.3884 at 1.46e-01 assign (resid 19 and name HG# ) (resid 20 and name HN ) 5.0 3.2 2.0 ! B.3887 at 2.20e-02 assign (resid 19 and name HA ) (resid 22 and name HN ) 5.0 3.2 1.0 ! B.3896 at 4.97e-02 assign (resid 19 and name HA ) (resid 22 and name HG# ) 3.0 1.2 1.3 ! A.6845 at 2.91e+06 assign (resid 19 and name HA ) (resid 22 and name HB# ) 4.0 2.2 2.0 ! A.221 at 1.32e+06 assign (resid 19 and name HA ) (resid 22 and name HD# ) 4.0 2.2 2.0 ! A.216 at 1.67e+06 assign (resid 19 and name HA ) (resid 23 and name HN ) 5.0 3.2 1.0 ! B.3902 at 5.02e-02 ! D20 assign (resid 20 and name HB1 ) (resid 21 and name HN ) 2.5 0.7 0.4 ! B.3891 at 3.34e-01 assign (resid 20 and name HN ) (resid 21 and name HN ) 2.5 0.7 0.4 ! B.257 at 2.76e-01 assign (resid 20 and name HB2 ) (resid 21 and name HN ) 4.0 2.2 1.0 ! B.291 at 1.43e-01 assign (resid 20 and name HB1 ) (resid 21 and name HA ) 5.0 3.2 1.0 ! A.233 at 1.09e+06 assign (resid 20 and name HA ) (resid 23 and name HN ) 4.0 2.2 1.0 ! B.1299 at 1.21e-01 assign (resid 20 and name HN ) (resid 23 and name HB# ) 5.0 3.2 2.0 ! B.5183 at 2.74e-02 assign (resid 20 and name HA ) (resid 23 and name HB# ) 3.0 1.2 1.3 ! A.1744 at 8.11e+06 assign (resid 20 and name HA ) (resid 24 and name HN ) 5.0 3.2 1.0 ! B.5185 at 4.51e-02 ! F21 assign (resid 21 and name HN ) (resid 22 and name HN ) 2.5 0.7 0.4 ! B.258 at 2.60e-01 assign (resid 21 and name HB1 ) (resid 22 and name HN ) 4.0 2.2 1.0 ! B.3897 at 1.37e-01 assign (resid 21 and name HD# ) (resid 22 and name HN ) 5.0 3.2 3.4 ! B.3894 at 5.16e-02 assign (resid 21 and name HA ) (resid 22 and name HN ) 4.0 2.2 1.0 ! B.3895 at 7.53e-02 assign (resid 21 and name HB2 ) (resid 22 and name HN ) 4.0 2.2 1.0 ! B.1318 at 1.29e-01 assign (resid 21 and name HN ) (resid 23 and name HN ) 5.0 3.2 1.0 ! B.5059 at 3.23e-02 assign (resid 21 and name HA ) (resid 24 and name HG2# ) 5.0 3.2 2.0 ! A.1661 at 1.23e+06 assign (resid 21 and name HD# ) (resid 24 and name HG2# ) 4.0 2.2 4.4 ! A.567 at 1.32e+06 assign (resid 21 and name HD# ) (resid 25 and name HN ) 5.0 3.2 3.4 ! B.5508 at 1.80e-02 assign (resid 21 and name HA ) (resid 25 and name HN ) 5.0 3.2 1.0 ! B.5329 at 1.70e-02 assign (resid 21 and name HA ) (resid 25 and name HD1# ) 3.0 1.2 1.3 ! A.7207 at 2.18e+06 assign (resid 21 and name HE# ) (resid 25 and name HD1# ) 3.0 1.2 3.7 ! A.60 at 4.14e+06 assign (resid 21 and name HA ) (resid 48 and name HD1# ) 4.0 2.2 2.0 ! A.6321 at 2.46e+06 assign (resid 21 and name HD# ) (resid 48 and name HD1# ) 5.0 3.2 4.4 ! A.456 at 1.03e+06 assign (resid 21 and name HE# ) (resid 48 and name HD1# ) 5.0 3.2 4.4 ! A.455 at 1.50e+06 assign (resid 21 and name HD# ) (resid 50 and name HD2# ) 5.0 3.2 4.4 ! A.461 at -4.98e+05 assign (resid 21 and name HA ) (resid 50 and name HD2# ) 4.0 2.2 2.0 ! A.1205 at 2.36e+06 assign (resid 21 and name HE# ) (resid 50 and name HD2# ) 2.5 0.7 3.6 ! A.1204 at 1.68e+07 assign (resid 21 and name HE# ) (resid 50 and name HD1# ) 5.0 3.2 4.4 ! A.242 at 1.64e+06 assign (resid 21 and name HE# ) (resid 64 and name HD1# ) 3.0 1.2 3.6 ! A.748 at 8.81e+06 assign (resid 21 and name HZ ) (resid 64 and name HG1# ) 5.0 3.2 2.0 ! A.210 at 1.67e+06 assign (resid 21 and name HZ ) (resid 64 and name HD1# ) 3.0 1.2 1.3 ! A.569 at 4.43e+06 assign (resid 21 and name HE# ) (resid 64 and name HG1# ) 4.0 2.2 4.4 ! A.793 at 1.28e+06 assign (resid 21 and name HD# ) (resid 64 and name HD1# ) 3.0 1.2 3.7 ! A.788 at 7.43e+06 assign (resid 21 and name HZ ) (resid 69 and name HG1# ) 3.0 1.2 1.3 ! A.568 at 5.92e+06 assign (resid 21 and name HZ ) (resid 69 and name HG2# ) 3.0 1.2 1.3 ! A.7236 at 6.26e+06 assign (resid 21 and name HD# ) (resid 69 and name HG1# ) 4.0 2.2 4.4 ! A.2597 at -6.62e+05 assign (resid 21 and name HZ ) (resid 156 and name HB ) 5.0 3.2 1.0 ! A.6496 at 1.89e+06 assign (resid 21 and name HD# ) (resid 156 and name HA ) 5.0 3.2 3.4 ! A.564 at 9.81e+05 assign (resid 21 and name HD# ) (resid 156 and name HB ) 4.0 2.2 3.4 ! A.896 at 3.30e+06 assign (resid 21 and name HE# ) (resid 157 and name HN ) 4.0 2.2 3.4 ! B.4583 at 8.17e-02 assign (resid 21 and name HE# ) (resid 157 and name HA ) 5.0 3.2 3.4 ! A.239 at 1.38e+06 assign (resid 21 and name HE# ) (resid 157 and name HB# ) 3.0 1.2 3.7 ! A.7619 at 3.39e+06 assign (resid 21 and name HZ ) (resid 157 and name HB# ) 4.0 2.2 2.0 ! A.566 at 1.63e+06 assign (resid 21 and name HZ ) (resid 157 and name HA ) 4.0 2.2 1.0 ! A.213 at 3.49e+06 assign (resid 21 and name HE# ) (resid 159 and name HB# ) 4.0 2.2 4.4 ! A.61 at 1.36e+06 assign (resid 21 and name HE# ) (resid 160 and name HN ) 5.0 3.2 3.4 ! B.4605 at 2.84e-02 assign (resid 21 and name HE# ) (resid 160 and name HB# ) 3.0 1.2 3.7 ! A.6306 at 2.52e+06 assign (resid 21 and name HZ ) (resid 160 and name HB# ) 4.0 2.2 2.0 ! A.46 at 3.26e+06 assign (resid 21 and name HD# ) (resid 160 and name HB# ) 4.0 2.2 4.4 ! A.1468 at -7.21e+05 ! R22 assign (resid 22 and name HN ) (resid 23 and name HN ) 2.5 0.7 0.4 ! B.3899 at 2.11e-01 assign (resid 22 and name HD# ) (resid 23 and name HN ) 5.0 3.2 2.0 ! B.5601 at 4.36e-02 assign (resid 22 and name HA ) (resid 23 and name HN ) 5.0 3.2 1.0 ! B.3903 at 6.61e-02 assign (resid 22 and name HB# ) (resid 23 and name HN ) 2.5 0.7 1.4 ! B.5184 at 2.22e-01 assign (resid 22 and name HN ) (resid 24 and name HN ) 5.0 3.2 1.0 ! B.3893 at 3.13e-02 assign (resid 22 and name HA ) (resid 24 and name HN ) 5.0 3.2 1.0 ! B.3322 at 1.93e-02 assign (resid 22 and name HB# ) (resid 25 and name HN ) 5.0 3.2 2.0 ! B.4534 at 4.72e-02 assign (resid 22 and name HA ) (resid 25 and name HN ) 5.0 3.2 1.0 ! B.5328 at 3.72e-02 assign (resid 22 and name HA ) (resid 25 and name HG ) 4.0 2.2 1.0 ! A.1479 at 3.68e+06 assign (resid 22 and name HA ) (resid 25 and name HD2# ) 2.5 0.7 1.2 ! A.2399 at 8.85e+06 assign (resid 22 and name HA ) (resid 25 and name HB1 ) 5.0 3.2 1.0 ! A.242 at 1.14e+06 !assign (resid 22 and name HA ) (resid 25 and name HB2 ) 5.0 3.2 1.0 ! A.243 at 1.73e+06 assign (resid 22 and name HA ) (resid 37 and name HD1# ) 5.0 3.2 2.0 ! A.1480 at 1.37e+06 assign (resid 22 and name HA ) (resid 237 and name HD2# ) 4.0 2.2 2.0 ! A.2764 at 5.76e+05 ! A23 assign (resid 23 and name HN ) (resid 24 and name HN ) 2.5 0.7 0.4 ! B.3900 at 2.22e-01 assign (resid 23 and name HB# ) (resid 24 and name HN ) 3.0 1.2 1.5 ! B.3905 at 1.44e-01 assign (resid 23 and name HB# ) (resid 24 and name HB ) 4.0 2.2 2.0 ! A.920 at 2.13e+06 assign (resid 23 and name HB# ) (resid 24 and name HA ) 5.0 3.2 2.0 ! A.243 at 4.64e+05 assign (resid 23 and name HN ) (resid 25 and name HN ) 5.0 3.2 1.0 ! B.3906 at 1.83e-02 assign (resid 23 and name HA ) (resid 25 and name HD2# ) 4.0 2.2 2.0 ! A.2394 at 2.74e+06 ! T24 assign (resid 24 and name HN ) (resid 25 and name HN ) 2.5 0.7 0.4 ! B.3907 at 1.70e-01 assign (resid 24 and name HA ) (resid 25 and name HN ) 4.0 2.2 1.0 ! B.3908 at 1.02e-01 assign (resid 24 and name HN ) (resid 25 and name HB1 ) 5.0 3.2 1.0 ! B.5541 at 7.54e-02 assign (resid 24 and name HG2# ) (resid 25 and name HA ) 4.0 2.2 2.0 ! A.7419 at 1.31e+06 assign (resid 24 and name HG2# ) (resid 25 and name HB1 ) 4.0 2.2 2.0 ! A.1995 at 1.98e+06 assign (resid 24 and name HB ) (resid 48 and name HD1# ) 3.0 1.2 1.3 ! A.2761 at 1.71e+06 assign (resid 24 and name HG2# ) (resid 48 and name HD1# ) 2.5 0.7 2.2 ! A.1098 at 4.17e+06 assign (resid 24 and name HG2# ) (resid 48 and name HB ) 4.0 2.2 2.0 ! A.2521 at 3.09e+06 assign (resid 24 and name HG2# ) (resid 48 and name HA ) 4.0 2.2 2.0 ! A.7420 at 1.27e+06 assign (resid 24 and name HB ) (resid 48 and name HG2# ) 4.0 2.2 2.0 ! A.2605 at 5.24e+05 assign (resid 24 and name HG2# ) (resid 48 and name HG1# ) 4.0 2.2 3.0 ! A.2595 at 7.28e+05 assign (resid 24 and name HG2# ) (resid 48 and name HG2# ) 2.5 0.7 2.2 ! A.1099 at 3.73e+06 ! L25 assign (resid 25 and name HB2 ) (resid 26 and name HG# ) 3.0 1.2 1.3 ! A.1099 at 3.66e+06 assign (resid 25 and name HG ) (resid 37 and name HD2# ) 3.0 1.2 1.3 ! A.202 at 1.29e+06 assign (resid 25 and name HD1# ) (resid 48 and name HD1# ) 2.5 0.7 2.2 ! A.381 at 2.35e+06 assign (resid 25 and name HD1# ) (resid 66 and name HA ) 4.0 2.2 2.0 ! A.377 at 7.58e+05 assign (resid 25 and name HB1 ) (resid 66 and name HG1# ) 5.0 3.2 2.0 ! A.2724 at 9.78e+05 ! P26 assign (resid 26 and name HA ) (resid 27 and name HN ) 2.5 0.7 0.4 ! B.3920 at 3.25e-01 assign (resid 26 and name HB# ) (resid 27 and name HN ) 4.0 2.2 2.0 ! B.3916 at 8.61e-02 assign (resid 26 and name HG# ) (resid 27 and name HN ) 5.0 3.2 2.0 ! B.1702 at 2.07e-02 assign (resid 26 and name HA ) (resid 27 and name HD# ) 4.0 2.2 3.4 ! A.112 at 1.50e+06 assign (resid 26 and name HA ) (resid 27 and name HA ) 5.0 3.2 1.0 ! A.2316 at -3.90e+05 assign (resid 26 and name HA ) (resid 27 and name HE# ) 5.0 3.2 3.4 ! A.206 at 1.35e+06 assign (resid 26 and name HB# ) (resid 38 and name HD# ) 4.0 2.2 4.4 ! A.694 at 1.18e+06 assign (resid 26 and name HB# ) (resid 38 and name HE# ) 4.0 2.2 4.4 ! A.284 at 3.02e+06 assign (resid 26 and name HA ) (resid 38 and name HE# ) 4.0 2.2 3.4 ! A.6994 at 1.25e+06 assign (resid 26 and name HG# ) (resid 38 and name HE# ) 5.0 3.2 4.4 ! A.1714 at 1.19e+06 assign (resid 26 and name HB# ) (resid 41 and name HG2# ) 5.0 3.2 3.0 ! A.1368 at 1.70e+06 assign (resid 26 and name HG# ) (resid 41 and name HG2# ) 4.0 2.2 3.0 ! A.1740 at 2.92e+06 assign (resid 26 and name HB# ) (resid 41 and name HD1# ) 4.0 2.2 3.0 ! A.364 at 9.77e+05 assign (resid 26 and name HG# ) (resid 41 and name HD1# ) 4.0 2.2 2.3 ! A.2751 at 1.12e+06 assign (resid 26 and name HD# ) (resid 41 and name HG2# ) 3.0 1.2 2.3 ! A.665 at 4.01e+06 assign (resid 26 and name HD# ) (resid 41 and name HD1# ) 4.0 2.2 3.0 ! A.556 at 3.69e+06 assign (resid 26 and name HD# ) (resid 46 and name HA ) 5.0 3.2 2.0 ! A.706 at 1.50e+06 assign (resid 26 and name HG# ) (resid 66 and name HG1# ) 4.0 2.2 3.0 ! A.2368 at 6.26e+05 assign (resid 26 and name HD# ) (resid 66 and name HG1# ) 4.0 2.2 3.0 ! A.2721 at 1.23e+06 ! F27 assign (resid 27 and name HA ) (resid 28 and name HN ) 2.5 0.7 0.4 ! B.3922 at 3.70e-01 assign (resid 27 and name HD# ) (resid 28 and name HN ) 4.0 2.2 3.4 ! B.3921 at 1.37e-01 assign (resid 27 and name HN ) (resid 29 and name HN ) 5.0 3.2 1.0 ! B.3278 at 1.78e-02 assign (resid 27 and name HA ) (resid 29 and name HN ) 5.0 3.2 1.0 ! B.3931 at 4.29e-02 assign (resid 27 and name HD# ) (resid 29 and name HN ) 4.0 2.2 3.4 ! A.125 at 2.05e+06 assign (resid 27 and name HD# ) (resid 30 and name HN ) 4.0 2.2 3.4 ! B.5498 at 1.07e-01 assign (resid 27 and name HN ) (resid 37 and name HD1# ) 5.0 3.2 2.0 ! B.3919 at 1.99e-02 assign (resid 27 and name HA ) (resid 37 and name HA ) 4.0 2.2 1.0 ! A.1834 at 3.26e+06 assign (resid 27 and name HB# ) (resid 37 and name HA ) 4.0 2.2 2.0 ! A.1825 at 2.24e+06 assign (resid 27 and name HA ) (resid 37 and name HD1# ) 3.0 1.2 1.3 ! A.2095 at 1.03e+07 assign (resid 27 and name HN ) (resid 38 and name HD# ) 5.0 3.2 3.4 ! B.4835 at 3.67e-02 assign (resid 27 and name HN ) (resid 38 and name HE# ) 4.0 2.2 3.4 ! A.279 at 3.23e+06 ! S28 assign (resid 28 and name HN ) (resid 29 and name HN ) 2.5 0.7 0.4 ! B.1667 at 2.53e-01 assign (resid 28 and name HB2 ) (resid 29 and name HN ) 4.0 2.2 1.0 ! B.3932 at 8.85e-02 assign (resid 28 and name HA ) (resid 29 and name HN ) 5.0 3.2 1.0 ! B.1793 at 6.74e-02 assign (resid 28 and name HB1 ) (resid 29 and name HN ) 4.0 2.2 1.0 ! B.1796 at 1.21e-01 assign (resid 28 and name HN ) (resid 30 and name HE# ) 4.0 2.2 2.0 ! B.3923 at 1.94e-01 assign (resid 28 and name HB1 ) (resid 36 and name HD1# ) 5.0 3.2 2.0 ! A.1767 at 4.73e+05 assign (resid 28 and name HA ) (resid 37 and name HA ) 4.0 2.2 1.0 ! A.1819 at 2.70e+06 assign (resid 28 and name HB2 ) (resid 38 and name HA ) 4.0 2.2 1.0 ! A.3831 at 1.22e+06 assign (resid 28 and name HB# ) (resid 38 and name HA ) 4.0 2.2 2.0 ! A.3843 at 1.11e+06 assign (resid 28 and name HA ) (resid 38 and name HE# ) 4.0 2.2 3.4 ! A.1845 at 1.76e+06 assign (resid 28 and name HB2 ) (resid 38 and name HE# ) 4.0 2.2 3.4 ! A.7005 at 8.41e+05 assign (resid 28 and name HB2 ) (resid 38 and name HB1 ) 4.0 2.2 1.0 ! A.1521 at 1.60e+06 ! H29 assign (resid 29 and name HN ) (resid 30 and name HN ) 4.0 2.2 1.0 ! B.23 at 1.13e-01 assign (resid 29 and name HN ) (resid 30 and name HE# ) 5.0 3.2 2.0 ! B.3933 at 6.25e-02 assign (resid 29 and name HD2 ) (resid 31 and name HG2# ) 4.0 2.2 2.0 ! A.69 at 2.96e+06 assign (resid 29 and name HN ) (resid 36 and name HD2# ) 4.0 2.2 2.0 ! B.3935 at 8.58e-02 !assign (resid 29 and name HD2 ) (resid 198 and name HB# ) 5.0 3.2 2.0 ! A.811 at 1.33e+06 ! K30 assign (resid 30 and name HG# ) (resid 31 and name HN ) 4.0 2.2 2.0 ! B.3941 at 7.03e-02 assign (resid 30 and name HB# ) (resid 31 and name HN ) 4.0 2.2 2.0 ! B.3940 at 1.08e-01 assign (resid 30 and name HA ) (resid 31 and name HN ) 2.5 0.7 0.4 ! B.3939 at 4.48e-01 assign (resid 30 and name HB# ) (resid 33 and name HN ) 5.0 3.2 2.0 ! B.2594 at 6.35e-02 assign (resid 30 and name HB# ) (resid 33 and name HA ) 5.0 3.2 2.0 ! A.1161 at 1.37e+06 assign (resid 30 and name HD# ) (resid 33 and name HA ) 4.0 2.2 2.0 ! A.1947 at 5.21e+05 assign (resid 30 and name HA ) (resid 34 and name HN ) 5.0 3.2 1.0 ! B.335 at 5.06e-02 assign (resid 30 and name HB# ) (resid 34 and name HN ) 5.0 3.2 2.0 ! B.355 at 6.81e-02 assign (resid 30 and name HB# ) (resid 34 and name HA ) 4.0 2.2 2.0 ! A.1886 at 1.30e+06 assign (resid 30 and name HN ) (resid 36 and name HD2# ) 3.0 1.2 1.5 ! B.5187 at 2.06e-01 assign (resid 30 and name HG# ) (resid 36 and name HG ) 5.0 3.2 2.0 ! A.2686 at 6.50e+05 ! V31 assign (resid 31 and name HN ) (resid 32 and name HN ) 5.0 3.2 1.0 ! B.2755 at 2.42e-02 assign (resid 31 and name HA ) (resid 32 and name HN ) 2.5 0.7 0.4 ! B.3952 at 9.68e-01 assign (resid 31 and name HG1# ) (resid 32 and name HN ) 3.0 1.2 1.5 ! B.3946 at 1.78e-01 assign (resid 31 and name HG2# ) (resid 32 and name HN ) 5.0 3.2 2.0 ! B.3946 at 1.78e-01 assign (resid 31 and name HB ) (resid 32 and name HN ) 5.0 3.2 1.0 ! B.2751 at 2.62e-02 assign (resid 31 and name HG1# ) (resid 32 and name HE# ) 4.0 2.2 4.4 ! A.2340 at -6.08e+05 assign (resid 31 and name HG1# ) (resid 32 and name HB2 ) 5.0 3.2 2.0 ! A.7439 at 1.22e+06 assign (resid 31 and name HG1# ) (resid 32 and name HD# ) 4.0 2.2 4.4 ! A.96 at 4.34e+06 assign (resid 31 and name HN ) (resid 33 and name HN ) 4.0 2.2 1.0 ! B.3938 at 7.47e-02 assign (resid 31 and name HG1# ) (resid 33 and name HN ) 5.0 3.2 2.0 ! B.5190 at 1.61e-02 assign (resid 31 and name HN ) (resid 34 and name HN ) 2.5 0.7 0.4 ! B.156 at 1.47e-01 assign (resid 31 and name HA ) (resid 34 and name HN ) 4.0 2.2 1.0 ! B.3952 at 9.68e-02 assign (resid 31 and name HN ) (resid 35 and name HD# ) 4.0 2.2 2.0 ! B.5188 at 7.64e-02 assign (resid 31 and name HG1# ) (resid 197 and name HD1# ) 3.0 1.2 2.3 ! A.2734 at 1.98e+06 assign (resid 31 and name HG1# ) (resid 198 and name HA ) 4.0 2.2 2.0 ! A.1990 at 4.89e+06 assign (resid 31 and name HG1# ) (resid 198 and name HD# ) 4.0 2.2 4.4 ! A.7400 at 1.24e+06 assign (resid 31 and name HG2# ) (resid 198 and name HB# ) 2.5 0.7 2.2 ! A.7450 at 4.84e+06 assign (resid 31 and name HG2# ) (resid 198 and name HD# ) 3.0 1.2 3.7 ! A.116 at 4.57e+06 assign (resid 31 and name HG2# ) (resid 198 and name HA ) 4.0 2.2 2.0 ! A.1372 at 4.44e+06 assign (resid 31 and name HG1# ) (resid 201 and name HN ) 5.0 3.2 2.0 ! B.5411 at 3.62e-02 assign (resid 31 and name HG1# ) (resid 201 and name HG# ) 4.0 2.2 3.0 ! A.1136 at 2.75e+06 assign (resid 31 and name HG2# ) (resid 201 and name HG# ) 4.0 2.2 3.0 ! A.1137 at 1.88e+06 assign (resid 31 and name HG1# ) (resid 238 and name HB2 ) 3.0 1.2 1.3 ! A.2501 at 9.02e+06 ! Y32 assign (resid 32 and name HN ) (resid 33 and name HN ) 4.0 2.2 1.0 ! B.3943 at 1.38e-01 assign (resid 32 and name HD# ) (resid 33 and name HN ) 5.0 3.2 3.4 ! B.3594 at 2.17e-02 assign (resid 32 and name HB1 ) (resid 33 and name HN ) 5.0 3.2 1.0 ! B.2590 at 3.42e-02 assign (resid 32 and name HA ) (resid 33 and name HN ) 2.5 0.7 0.4 ! B.3947 at 2.34e-01 assign (resid 32 and name HD1 ) (resid 33 and name HN ) 5.0 3.2 1.0 ! B.3594 at 2.17e-02 assign (resid 32 and name HB1 ) (resid 34 and name HD1# ) 5.0 3.2 2.0 ! A.1151 at 9.02e+05 assign (resid 32 and name HB2 ) (resid 34 and name HD1# ) 5.0 3.2 2.0 ! A.1150 at 1.16e+06 assign (resid 32 and name HB2 ) (resid 197 and name HD1# ) 4.0 2.2 2.0 ! A.5860 at 1.47e+06 assign (resid 32 and name HD# ) (resid 197 and name HD1# ) 4.0 2.2 4.4 ! A.2725 at -6.74e+05 assign (resid 32 and name HE# ) (resid 197 and name HG2# ) 4.0 2.2 4.4 ! A.824 at 3.22e+06 assign (resid 32 and name HD# ) (resid 200 and name HN ) 5.0 3.2 3.4 ! B.2860 at 3.08e-02 assign (resid 32 and name HE# ) (resid 200 and name HB# ) 4.0 2.2 4.4 ! A.682 at 2.81e+06 assign (resid 32 and name HD# ) (resid 200 and name HB# ) 3.0 1.2 3.7 ! A.7638 at 1.67e+06 assign (resid 32 and name HD# ) (resid 201 and name HN ) 5.0 3.2 3.4 ! B.3244 at 2.56e-02 assign (resid 32 and name HE# ) (resid 201 and name HN ) 4.0 2.2 3.4 ! B.4867 at 7.65e-02 assign (resid 32 and name HE# ) (resid 201 and name HG# ) 4.0 2.2 4.4 ! A.275 at 4.99e+06 assign (resid 32 and name HE# ) (resid 201 and name HA ) 4.0 2.2 3.4 ! A.2564 at -7.39e+05 assign (resid 32 and name HD# ) (resid 201 and name HG# ) 5.0 3.2 4.4 ! A.584 at 8.88e+05 assign (resid 32 and name HE# ) (resid 201 and name HB2 ) 4.0 2.2 3.4 ! A.823 at 1.24e+06 assign (resid 32 and name HE# ) (resid 205 and name HN ) 5.0 3.2 3.4 ! B.3697 at 5.01e-02 assign (resid 32 and name HE# ) (resid 226 and name HG2# ) 5.0 3.2 4.4 ! A.2211 at 1.44e+06 assign (resid 32 and name HD# ) (resid 226 and name HG2# ) 5.0 3.2 4.4 ! A.98 at 1.14e+06 assign (resid 32 and name HE# ) (resid 226 and name HG1# ) 3.0 1.2 3.7 ! A.656 at 8.11e+06 assign (resid 32 and name HD# ) (resid 226 and name HG1# ) 4.0 2.2 4.4 ! A.655 at 2.58e+06 assign (resid 32 and name HE# ) (resid 226 and name HB ) 4.0 2.2 3.4 ! A.831 at 1.21e+06 ! D33 assign (resid 33 and name HN ) (resid 34 and name HN ) 3.0 1.2 0.5 ! B.3950 at 1.74e-01 assign (resid 33 and name HA ) (resid 34 and name HN ) 4.0 2.2 1.0 ! B.3951 at 1.26e-01 assign (resid 33 and name HB1 ) (resid 34 and name HN ) 5.0 3.2 1.0 ! B.3953 at 5.86e-02 assign (resid 33 and name HN ) (resid 34 and name HD1# ) 5.0 3.2 2.0 ! B.3949 at 2.09e-02 assign (resid 33 and name HN ) (resid 34 and name HG1# ) 5.0 3.2 2.0 ! B.5189 at 5.82e-02 ! I34 assign (resid 34 and name HN ) (resid 35 and name HD# ) 5.0 3.2 2.0 ! B.2804 at 4.06e-02 assign (resid 34 and name HA ) (resid 35 and name HD# ) 4.0 2.2 2.0 ! A.1619 at 2.86e+06 assign (resid 34 and name HA ) (resid 35 and name HG# ) 4.0 2.2 2.0 ! A.6970 at 8.60e+05 assign (resid 34 and name HG1# ) (resid 35 and name HD# ) 4.0 2.2 3.0 ! A.2063 at 2.08e+06 assign (resid 34 and name HG2# ) (resid 35 and name HD# ) 5.0 3.2 3.0 ! A.2171 at 1.72e+06 assign (resid 34 and name HB ) (resid 35 and name HD# ) 4.0 2.2 2.0 ! A.2067 at 2.19e+06 assign (resid 34 and name HG1# ) (resid 36 and name HA ) 5.0 3.2 2.0 ! A.7256 at 1.25e+06 !assign (resid 34 and name HG2# ) (resid 36 and name HA ) 5.0 3.2 2.0 ! A.2677 at -5.32e+05 assign (resid 34 and name HG1# ) (resid 36 and name HB# ) 3.0 1.2 2.3 ! A.592 at 1.10e+07 !assign (resid 34 and name HG1# ) (resid 190 and name HH2 ) 5.0 3.2 2.0 ! A.799 at 9.09e+05 assign (resid 34 and name HG2# ) (resid 235 and name HG2# ) 4.0 2.2 3.0 ! A.2179 at 2.30e+06 assign (resid 34 and name HD1# ) (resid 235 and name HB ) 4.0 2.2 2.0 ! A.119 at -5.48e+05 assign (resid 34 and name HD1# ) (resid 235 and name HG2# ) 2.5 0.7 2.2 ! A.625 at 2.86e+06 assign (resid 34 and name HB ) (resid 236 and name HN ) 5.0 3.2 2.0 ! B.5452 at 1.54e-01 assign (resid 34 and name HG2# ) (resid 236 and name HA ) 3.0 1.2 1.3 ! A.7625 at 2.77e+06 assign (resid 34 and name HB ) (resid 237 and name HN ) 4.0 2.2 1.0 ! B.5085 at 9.46e-02 assign (resid 34 and name HG1# ) (resid 237 and name HN ) 4.0 2.2 2.0 ! B.5090 at 8.66e-02 assign (resid 34 and name HG1# ) (resid 237 and name HA ) 3.0 1.2 1.3 ! A.7254 at 1.52e+06 assign (resid 34 and name HG2# ) (resid 237 and name HA ) 4.0 2.2 2.0 ! A.2170 at 2.40e+06 assign (resid 34 and name HG1# ) (resid 238 and name HN ) 3.0 1.2 1.5 ! B.5096 at 1.92e-01 assign (resid 34 and name HB ) (resid 238 and name HN ) 4.0 2.2 1.0 ! B.5094 at 2.49e-01 ! P35 assign (resid 35 and name HG# ) (resid 237 and name HN ) 4.0 2.2 2.0 ! B.5089 at 9.23e-02 assign (resid 35 and name HG# ) (resid 237 and name HA ) 3.0 1.2 1.3 ! A.6034 at 2.96e+06 assign (resid 35 and name HG# ) (resid 237 and name HG ) 3.0 1.2 1.3 ! A.2692 at 1.79e+06 ! L36 assign (resid 36 and name HA ) (resid 37 and name HN ) 2.5 0.7 0.4 ! B.929 at 2.27e-01 assign (resid 36 and name HD1# ) (resid 37 and name HN ) 2.5 0.7 1.4 ! B.3679 at 3.25e-01 assign (resid 36 and name HG ) (resid 37 and name HN ) 5.0 3.2 1.0 ! B.5192 at 4.52e-02 assign (resid 36 and name HD1# ) (resid 37 and name HB# ) 3.0 1.2 2.3 ! A.6947 at 5.80e+06 assign (resid 36 and name HD1# ) (resid 37 and name HD2# ) 3.0 1.2 2.3 ! A.1758 at 1.33e+06 assign (resid 36 and name HD1# ) (resid 37 and name HA ) 4.0 2.2 2.0 ! A.1882 at 2.67e+06 assign (resid 36 and name HG ) (resid 38 and name HN ) 4.0 2.2 1.0 ! B.5662 at 7.76e-02 assign (resid 36 and name HD1# ) (resid 38 and name HA ) 4.0 2.2 1.3 ! A.1881 at 7.38e+06 assign (resid 36 and name HD1# ) (resid 198 and name HD# ) 5.0 3.2 4.4 ! A.1768 at -4.39e+05 assign (resid 36 and name HD2# ) (resid 198 and name HD# ) 2.5 0.7 3.6 ! A.7197 at 3.25e+06 assign (resid 36 and name HD1# ) (resid 198 and name HE# ) 4.0 2.2 4.4 ! A.768 at 1.34e+06 assign (resid 36 and name HD2# ) (resid 198 and name HE# ) 4.0 2.2 4.4 ! A.121 at 1.29e+06 assign (resid 36 and name HB# ) (resid 198 and name HD# ) 4.0 2.2 4.4 ! A.20 at -5.61e+05 assign (resid 36 and name HD1# ) (resid 239 and name HA ) 4.0 2.2 2.0 ! A.1886 at 2.01e+06 assign (resid 36 and name HD1# ) (resid 242 and name HN ) 4.0 2.2 2.0 ! B.4239 at 7.65e-02 ! L37 assign (resid 37 and name HA ) (resid 38 and name HN ) 2.5 0.7 0.4 ! B.929 at 2.27e-01 assign (resid 37 and name HD2# ) (resid 38 and name HN ) 5.0 3.2 3.4 ! B.3957 at 2.61e-01 assign (resid 37 and name HB# ) (resid 38 and name HN ) 4.0 2.2 2.0 ! B.3956 at 9.86e-02 assign (resid 37 and name HA ) (resid 38 and name HD# ) 4.0 2.2 3.4 ! A.2229 at 1.36e+06 assign (resid 37 and name HA ) (resid 38 and name HB2 ) 5.0 3.2 1.0 ! A.1826 at 1.66e+06 assign (resid 37 and name HD1# ) (resid 41 and name HG2# ) 3.0 1.2 2.3 ! A.7071 at 1.58e+06 assign (resid 37 and name HG ) (resid 41 and name HG2# ) 3.0 1.2 1.3 ! A.2039 at 3.44e+06 assign (resid 37 and name HA ) (resid 66 and name HG1# ) 4.0 2.2 2.0 ! A.1833 at 3.30e+06 assign (resid 37 and name HD2# ) (resid 67 and name HA ) 4.0 2.2 2.0 ! A.5517 at 1.12e+06 assign (resid 37 and name HD1# ) (resid 67 and name HB ) 4.0 2.2 2.0 ! A.7058 at 1.71e+06 assign (resid 37 and name HD1# ) (resid 67 and name HA ) 3.0 1.2 1.3 ! A.7070 at 1.96e+06 assign (resid 37 and name HD2# ) (resid 68 and name HA ) 4.0 2.2 2.0 ! A.2474 at -5.29e+05 assign (resid 37 and name HD2# ) (resid 69 and name HG2# ) 4.0 2.2 3.0 ! A.2465 at 8.26e+05 assign (resid 37 and name HD2# ) (resid 237 and name HD1# ) 5.0 3.2 3.0 ! A.594 at 4.58e+05 assign (resid 37 and name HD2# ) (resid 237 and name HD2# ) 3.0 1.2 2.3 ! A.193 at 1.41e+06 assign (resid 37 and name HN ) (resid 238 and name HN ) 5.0 3.2 1.0 ! B.3954 at 3.00e-02 ! Y38 assign (resid 38 and name HA ) (resid 39 and name HN ) 2.5 0.7 0.4 ! B.3960 at 4.96e-01 assign (resid 38 and name HD# ) (resid 39 and name HN ) 4.0 2.2 3.4 ! B.3958 at 7.34e-02 assign (resid 38 and name HB2 ) (resid 39 and name HN ) 4.0 2.2 1.0 ! B.2222 at 1.18e-01 assign (resid 38 and name HB1 ) (resid 39 and name HN ) 5.0 3.2 1.0 ! B.2224 at 6.30e-02 assign (resid 38 and name HN ) (resid 39 and name HN ) 5.0 3.2 1.0 ! A.808 at 6.37e+05 assign (resid 38 and name HB1 ) (resid 39 and name HA ) 5.0 3.2 1.0 ! A.1796 at 1.62e+06 assign (resid 38 and name HB2 ) (resid 40 and name HN ) 4.0 2.2 1.0 ! B.1925 at 1.20e-01 assign (resid 38 and name HA ) (resid 40 and name HN ) 4.0 2.2 1.0 ! B.3962 at 9.22e-02 assign (resid 38 and name HB1 ) (resid 40 and name HN ) 5.0 3.2 1.0 ! B.1913 at 6.31e-02 assign (resid 38 and name HB2 ) (resid 41 and name HN ) 5.0 3.2 1.0 ! B.5199 at 2.46e-02 assign (resid 38 and name HD# ) (resid 41 and name HG2# ) 5.0 3.2 4.4 ! A.136 at 1.25e+06 assign (resid 38 and name HE# ) (resid 41 and name HD1# ) 3.0 1.2 3.7 ! A.6340 at 1.92e+06 assign (resid 38 and name HB2 ) (resid 41 and name HG2# ) 5.0 3.2 2.0 ! A.2643 at -3.66e+05 assign (resid 38 and name HB2 ) (resid 41 and name HA ) 5.0 3.2 1.0 ! A.1499 at 1.30e+06 assign (resid 38 and name HD# ) (resid 41 and name HA ) 4.0 2.2 3.4 ! A.5451 at 1.69e+06 assign (resid 38 and name HE# ) (resid 41 and name HG2# ) 4.0 2.2 4.4 ! A.282 at 1.95e+06 assign (resid 38 and name HB1 ) (resid 41 and name HG2# ) 5.0 3.2 2.0 ! A.2644 at -4.05e+05 ! S39 assign (resid 39 and name HN ) (resid 40 and name HN ) 2.5 0.7 0.4 ! B.1893 at 2.35e-01 assign (resid 39 and name HA ) (resid 40 and name HN ) 5.0 3.2 1.0 ! B.5197 at 5.04e-02 assign (resid 39 and name HB# ) (resid 40 and name HN ) 5.0 3.2 2.0 ! B.3374 at 3.92e-02 assign (resid 39 and name HN ) (resid 40 and name HA ) 5.0 3.2 1.0 ! B.3467 at 3.43e-02 assign (resid 39 and name HA ) (resid 40 and name HB ) 5.0 3.2 1.0 ! A.3423 at 1.19e+06 assign (resid 39 and name HB# ) (resid 40 and name HG2# ) 4.0 2.2 3.0 ! A.1375 at 8.87e+05 assign (resid 39 and name HA ) (resid 242 and name HN ) 3.0 1.2 0.5 ! B.4234 at 1.72e-01 ! T40 !assign (resid 40 and name HG2# ) (resid 41 and name HN ) 5.0 3.2 2.0 ! B.3963 at 1.42e-01 assign (resid 40 and name HN ) (resid 41 and name HN ) 5.0 3.2 1.0 ! B.262 at 3.54e-02 assign (resid 40 and name HA ) (resid 41 and name HN ) 2.5 0.7 0.4 ! B.269 at 5.96e-01 assign (resid 40 and name HB ) (resid 41 and name HN ) 4.0 2.2 1.0 ! B.275 at 1.25e-01 assign (resid 40 and name HG2# ) (resid 41 and name HA ) 4.0 2.2 2.0 ! A.2657 at 2.20e+06 assign (resid 40 and name HB ) (resid 41 and name HG2# ) 5.0 3.2 2.0 ! A.823 at 1.37e+06 assign (resid 40 and name HA ) (resid 41 and name HG2# ) 5.0 3.2 2.0 ! A.634 at 1.64e+06 assign (resid 40 and name HG2# ) (resid 42 and name HA ) 4.0 2.2 2.0 ! A.2090 at 2.22e+06 assign (resid 40 and name HG2# ) (resid 43 and name HA ) 5.0 3.2 2.0 ! A.2091 at 1.37e+06 assign (resid 40 and name HG2# ) (resid 46 and name HD# ) 3.0 1.2 2.3 ! A.7571 at 2.64e+06 assign (resid 40 and name HN ) (resid 67 and name HG2# ) 5.0 3.2 2.0 ! B.5193 at 2.53e-02 assign (resid 40 and name HA ) (resid 67 and name HG2# ) 3.0 1.2 1.3 ! A.633 at 5.47e+06 ! I41 assign (resid 41 and name HN ) (resid 42 and name HN ) 5.0 3.2 1.0 ! B.261 at 3.23e-02 assign (resid 41 and name HA ) (resid 42 and name HN ) 4.0 2.2 1.0 ! B.3868 at 1.05e-01 assign (resid 41 and name HG1# ) (resid 42 and name HN ) 2.5 0.7 1.4 ! B.5607 at 2.48e-01 assign (resid 41 and name HG2# ) (resid 42 and name HN ) 4.0 2.2 2.4 ! B.3874 at 2.17e-01 assign (resid 41 and name HB ) (resid 42 and name HN ) 4.0 2.2 1.0 ! B.3871 at 1.29e-01 assign (resid 41 and name HD1# ) (resid 42 and name HB2 ) 5.0 3.2 2.0 ! A.1230 at 1.66e+06 assign (resid 41 and name HD1# ) (resid 42 and name HB1 ) 5.0 3.2 2.0 ! A.1229 at 1.44e+06 assign (resid 41 and name HG1# ) (resid 42 and name HB1 ) 5.0 3.2 2.0 ! A.1256 at 8.59e+05 assign (resid 41 and name HA ) (resid 42 and name HB# ) 4.0 2.2 2.0 ! A.961 at -1.49e+06 assign (resid 41 and name HG2# ) (resid 42 and name HB2 ) 5.0 3.2 2.0 ! A.1377 at 5.91e+05 assign (resid 41 and name HG1# ) (resid 42 and name HA ) 4.0 2.2 2.0 ! A.1897 at 1.97e+06 assign (resid 41 and name HG1# ) (resid 43 and name HA ) 5.0 3.2 2.0 ! A.1897 at 9.70e+05 assign (resid 41 and name HD1# ) (resid 42 and name HN ) 2.5 0.7 1.4 ! A.553 at 2.95e+06 !assign (resid 41 and name HB ) (resid 43 and name HN ) 5.0 3.2 1.0 ! B.2738 at 1.64e-02 assign (resid 41 and name HD1# ) (resid 43 and name HN ) 5.0 3.2 2.0 ! B.3968 at 2.21e-02 assign (resid 41 and name HD1# ) (resid 45 and name HN ) 5.0 3.2 2.0 ! B.5609 at 4.54e-02 assign (resid 41 and name HB ) (resid 45 and name HN ) 5.0 3.2 1.0 ! B.5610 at 3.73e-02 assign (resid 41 and name HD1# ) (resid 45 and name HD# ) 4.0 2.2 3.0 ! A.569 at 1.93e+06 assign (resid 41 and name HD1# ) (resid 45 and name HB1 ) 5.0 3.2 2.0 ! A.1394 at 1.63e+06 assign (resid 41 and name HG1# ) (resid 45 and name HD# ) 4.0 2.2 3.0 ! A.734 at 2.70e+06 assign (resid 41 and name HG1# ) (resid 45 and name HB2 ) 4.0 2.2 2.0 ! A.6720 at 1.43e+06 assign (resid 41 and name HB ) (resid 45 and name HB1 ) 4.0 2.2 1.0 ! A.2628 at 8.01e+05 assign (resid 41 and name HG1# ) (resid 46 and name HN ) 5.0 3.2 2.0 ! B.5714 at 2.61e-02 assign (resid 41 and name HD1# ) (resid 46 and name HN ) 4.0 2.2 2.0 ! A.730 at 2.26e+06 assign (resid 41 and name HG2# ) (resid 46 and name HA ) 4.0 2.2 1.3 ! A.552 at 5.65e+06 assign (resid 41 and name HG1# ) (resid 46 and name HB# ) 3.0 1.2 2.3 ! A.6771 at 1.61e+06 assign (resid 41 and name HB ) (resid 46 and name HA ) 5.0 3.2 1.0 ! A.705 at 1.01e+06 assign (resid 41 and name HD1# ) (resid 46 and name HA ) 2.5 0.7 1.2 ! A.664 at 7.20e+06 assign (resid 41 and name HG1# ) (resid 46 and name HA ) 4.0 2.2 2.0 ! A.704 at 2.92e+06 assign (resid 41 and name HB ) (resid 46 and name HB# ) 4.0 2.2 2.0 ! A.1714 at 3.16e+06 assign (resid 41 and name HG2# ) (resid 66 and name HB ) 5.0 3.2 2.0 ! A.1425 at 7.90e+05 assign (resid 41 and name HG1# ) (resid 66 and name HB ) 4.0 2.2 2.0 ! A.1676 at 2.00e+06 assign (resid 41 and name HG2# ) (resid 66 and name HG1# ) 2.5 0.7 2.2 ! A.2725 at 1.08e+07 assign (resid 41 and name HD1# ) (resid 66 and name HG1# ) 2.5 0.7 2.2 ! A.2491 at 4.25e+06 assign (resid 41 and name HN ) (resid 67 and name HG2# ) 5.0 3.2 2.0 ! B.288 at 6.32e-02 assign (resid 41 and name HG2# ) (resid 67 and name HB ) 4.0 2.2 2.0 ! A.666 at 1.59e+06 assign (resid 41 and name HG2# ) (resid 67 and name HG2# ) 2.5 0.7 2.2 ! A.507 at 2.58e+06 ! S42 assign (resid 42 and name HN ) (resid 43 and name HN ) 4.0 2.2 1.0 ! B.3965 at 2.26e-02 assign (resid 42 and name HB2 ) (resid 43 and name HN ) 3.0 1.2 1.0 ! B.3966 at 1.01e-01 assign (resid 42 and name HB1 ) (resid 43 and name HN ) 4.0 2.2 1.0 ! B.165 at 6.35e-02 assign (resid 42 and name HA ) (resid 43 and name HB# ) 5.0 3.2 2.0 ! A.1626 at 1.09e+06 assign (resid 42 and name HA ) (resid 43 and name HN ) 2.5 0.7 0.4 ! A.1626 at 1.09e+06 assign (resid 42 and name HB1 ) (resid 44 and name HN ) 5.0 3.2 1.0 ! B.5608 at 5.56e-02 assign (resid 42 and name HB1 ) (resid 45 and name HB2 ) 5.0 3.2 1.0 ! A.1231 at 1.03e+06 assign (resid 42 and name HB2 ) (resid 45 and name HB1 ) 4.0 2.2 1.0 ! A.6637 at 8.13e+05 assign (resid 42 and name HB1 ) (resid 45 and name HB1 ) 4.0 2.2 1.0 ! A.6636 at 1.05e+06 assign (resid 42 and name HB2 ) (resid 45 and name HD# ) 5.0 3.2 2.0 ! A.1215 at 1.16e+06 assign (resid 42 and name HB2 ) (resid 45 and name HG# ) 5.0 3.2 2.0 ! A.1378 at 4.36e+05 assign (resid 42 and name HB2 ) (resid 45 and name HB2 ) 5.0 3.2 1.0 ! A.1257 at 1.09e+06 assign (resid 42 and name HA ) (resid 45 and name HB1 ) 5.0 3.2 1.0 ! A.1898 at 2.92e+06 assign (resid 42 and name HB1 ) (resid 45 and name HG# ) 4.0 2.2 2.0 ! A.1232 at 1.82e+06 assign (resid 42 and name HB1 ) (resid 45 and name HA ) 4.0 2.2 1.0 ! A.1242 at 6.92e+06 ! D43 assign (resid 43 and name HN ) (resid 43 and name HB# ) 2.5 0.7 1.4 ! B.157 at 7.25e-02 assign (resid 43 and name HN ) (resid 44 and name HN ) 3.0 1.2 1.0 ! B.157 at 7.25e-02 assign (resid 43 and name HB# ) (resid 44 and name HN ) 3.0 1.2 1.5 ! B.3970 at 1.81e-01 assign (resid 43 and name HB# ) (resid 46 and name HN ) 5.0 3.2 2.0 ! B.3970 at 1.81e-01 assign (resid 43 and name HN ) (resid 46 and name HN ) 5.0 3.2 1.0 ! B.5734 at 2.23e-02 assign (resid 43 and name HA ) (resid 46 and name HB# ) 3.0 1.2 1.3 ! A.1725 at 1.89e+06 assign (resid 43 and name HB# ) (resid 46 and name HB# ) 5.0 3.2 3.0 ! A.1725 at 9.51e+05 assign (resid 43 and name HA ) (resid 47 and name HB# ) 4.0 2.2 2.0 ! A.1725 at 1.89e+06 assign (resid 43 and name HB# ) (resid 93 and name HD1# ) 3.0 1.2 2.4 ! A.2186 at 6.62e+05 ! S44 assign (resid 44 and name HA ) (resid 45 and name HN ) 3.0 1.2 0.5 ! B.3976 at 8.95e-02 assign (resid 44 and name HB# ) (resid 45 and name HN ) 5.0 3.2 2.0 ! B.3977 at 4.51e-02 assign (resid 44 and name HN ) (resid 45 and name HN ) 2.5 0.7 0.4 ! B.3972 at 9.87e-02 assign (resid 44 and name HN ) (resid 45 and name HB1 ) 5.0 3.2 1.0 ! B.3971 at 2.58e-02 assign (resid 44 and name HA ) (resid 46 and name HN ) 4.0 2.2 1.0 ! B.3987 at 1.24e-01 assign (resid 44 and name HN ) (resid 46 and name HN ) 5.0 3.2 1.0 ! B.2301 at 4.44e-02 assign (resid 44 and name HA ) (resid 47 and name HN ) 5.0 3.2 1.0 ! B.5202 at 1.56e-02 !assign (resid 44 and name HA ) (resid 66 and name HG2# ) 5.0 3.2 2.0 ! A.1446 at -4.69e+05 !!assign (resid 44 and name HB2 ) (resid 72 and name HG1# ) 5.0 3.2 2.0 ! A.163 at 5.55e+05 assign (resid 44 and name HA ) (resid 93 and name HD1# ) 3.0 1.2 1.3 ! A.583 at 7.01e+06 assign (resid 44 and name HB2 ) (resid 93 and name HD1# ) 3.0 1.2 1.3 ! A.582 at 6.30e+06 assign (resid 44 and name HB1 ) (resid 93 and name HG1# ) 4.0 2.2 2.0 ! A.6669 at 1.58e+06 assign (resid 44 and name HA ) (resid 93 and name HG1# ) 5.0 3.2 2.0 ! A.1948 at 9.20e+05 assign (resid 44 and name HA ) (resid 93 and name HG2# ) 4.0 2.2 2.0 ! A.1447 at 5.23e+05 ! R45 assign (resid 45 and name HN ) (resid 46 and name HB# ) 5.0 3.2 2.0 ! B.3980 at 3.86e-02 assign (resid 45 and name HN ) (resid 46 and name HN ) 2.5 0.7 0.4 ! B.3974 at 2.92e-01 assign (resid 45 and name HN ) (resid 46 and name HA ) 5.0 3.2 1.0 ! B.3978 at 2.09e-02 assign (resid 45 and name HB1 ) (resid 46 and name HN ) 5.0 3.2 1.0 ! B.3990 at 3.73e-02 assign (resid 45 and name HA ) (resid 46 and name HN ) 4.0 2.2 1.0 ! B.3986 at 9.36e-02 assign (resid 45 and name HN ) (resid 47 and name HN ) 5.0 3.2 1.0 ! B.3423 at 2.00e-02 assign (resid 45 and name HA ) (resid 47 and name HN ) 5.0 3.2 1.0 ! B.5203 at 1.40e-02 ! R46 assign (resid 46 and name HN ) (resid 47 and name HN ) 3.0 1.2 0.5 ! B.983 at 1.65e-01 assign (resid 46 and name HN ) (resid 47 and name HD# ) 5.0 3.2 3.4 ! B.3985 at 3.82e-02 assign (resid 46 and name HB# ) (resid 47 and name HN ) 5.0 3.2 2.0 ! B.3995 at 2.84e-02 assign (resid 46 and name HA ) (resid 47 and name HN ) 5.0 3.2 1.0 ! B.2082 at 3.19e-02 assign (resid 46 and name HD# ) (resid 47 and name HD# ) 3.0 1.2 3.7 ! A.108 at 4.82e+06 assign (resid 46 and name HA ) (resid 66 and name HG1# ) 4.0 2.2 2.0 ! A.2492 at 8.70e+05 assign (resid 46 and name HA ) (resid 66 and name HB ) 5.0 3.2 1.0 ! A.318 at 9.19e+05 assign (resid 46 and name HA ) (resid 66 and name HG2# ) 4.0 2.2 2.0 ! A.2187 at 3.11e+06 assign (resid 46 and name HB# ) (resid 67 and name HG2# ) 4.0 2.2 3.0 ! A.6777 at 1.30e+06 assign (resid 46 and name HN ) (resid 93 and name HD1# ) 5.0 3.2 2.0 ! A.588 at 1.59e+06 ! F47 assign (resid 47 and name HB2 ) (resid 48 and name HN ) 4.0 2.2 1.0 ! B.1118 at 9.19e-02 assign (resid 47 and name HA ) (resid 48 and name HN ) 2.5 0.7 0.4 ! A.18 at 4.54e+06 assign (resid 47 and name HB1 ) (resid 48 and name HN ) 5.0 3.2 1.0 ! B.3999 at 7.00e-02 assign (resid 47 and name HN ) (resid 48 and name HN ) 5.0 3.2 1.0 ! B.3997 at 3.40e-02 assign (resid 47 and name HD# ) (resid 48 and name HN ) 4.0 2.2 3.4 ! B.3998 at 8.26e-02 assign (resid 47 and name HA ) (resid 48 and name HG2# ) 5.0 3.2 2.0 ! A.25 at 9.95e+05 assign (resid 47 and name HB1 ) (resid 49 and name HD2# ) 4.0 2.2 2.0 ! A.7245 at 1.00e+06 assign (resid 47 and name HD# ) (resid 63 and name HB# ) 4.0 2.2 4.4 ! A.580 at 1.21e+06 assign (resid 47 and name HA ) (resid 64 and name HN ) 4.0 2.2 1.0 ! B.2731 at 8.45e-02 assign (resid 47 and name HD# ) (resid 65 and name HA ) 5.0 3.2 3.4 ! A.120 at 1.72e+06 assign (resid 47 and name HA ) (resid 65 and name HA ) 5.0 3.2 1.0 ! A.21 at 8.74e+05 assign (resid 47 and name HA ) (resid 66 and name HN ) 5.0 3.2 1.0 ! B.571 at 5.26e-02 assign (resid 47 and name HD# ) (resid 66 and name HN ) 4.0 2.2 3.4 ! B.5719 at 1.26e-01 assign (resid 47 and name HN ) (resid 66 and name HG2# ) 5.0 3.2 2.0 ! B.3996 at 3.23e-02 assign (resid 47 and name HA ) (resid 66 and name HG2# ) 4.0 2.2 2.0 ! A.24 at 1.84e+06 !!assign (resid 47 and name HB2 ) (resid 66 and name HG1# ) 5.0 3.2 2.0 ! A.2496 at -4.22e+05 assign (resid 47 and name HZ ) (resid 72 and name HG1# ) 5.0 3.2 2.0 ! A.130 at 1.01e+06 assign (resid 47 and name HE# ) (resid 72 and name HG1# ) 5.0 3.2 4.4 ! A.211 at 1.04e+06 assign (resid 47 and name HD# ) (resid 72 and name HG1# ) 4.0 2.2 4.4 ! A.7364 at 1.39e+06 assign (resid 47 and name HB1 ) (resid 72 and name HG2# ) 4.0 2.2 2.0 ! A.7547 at 2.94e+06 assign (resid 47 and name HD# ) (resid 72 and name HG2# ) 4.0 2.2 4.4 ! A.2177 at -5.75e+05 assign (resid 47 and name HE# ) (resid 72 and name HG2# ) 4.0 2.2 4.4 ! A.2451 at -5.21e+05 assign (resid 47 and name HZ ) (resid 87 and name HA ) 4.0 2.2 1.0 ! A.574 at 1.34e+06 assign (resid 47 and name HE# ) (resid 90 and name HN ) 5.0 3.2 3.4 ! B.4200 at 2.33e-02 assign (resid 47 and name HE# ) (resid 90 and name HB# ) 4.0 2.2 4.4 ! A.40 at 1.24e+06 assign (resid 47 and name HE# ) (resid 90 and name HA ) 4.0 2.2 3.4 ! A.510 at 2.04e+06 assign (resid 47 and name HZ ) (resid 90 and name HA ) 4.0 2.2 1.0 ! A.509 at 2.42e+06 assign (resid 47 and name HZ ) (resid 90 and name HB# ) 4.0 2.2 2.0 ! A.20 at 3.23e+06 assign (resid 47 and name HD# ) (resid 90 and name HA ) 5.0 3.2 3.4 ! A.511 at 8.25e+05 assign (resid 47 and name HN ) (resid 93 and name HD1# ) 5.0 3.2 2.0 ! B.2112 at 3.47e-02 assign (resid 47 and name HA ) (resid 93 and name HG2# ) 4.0 2.2 2.0 ! A.7693 at 1.79e+06 assign (resid 47 and name HD# ) (resid 93 and name HG2# ) 4.0 2.2 4.4 ! A.122 at 3.47e+06 assign (resid 47 and name HE# ) (resid 93 and name HG2# ) 3.0 1.2 3.7 ! A.7700 at 2.69e+06 assign (resid 47 and name HB# ) (resid 93 and name HG2# ) 3.0 1.2 2.3 ! A.7694 at 2.56e+06 assign (resid 47 and name HB# ) (resid 93 and name HB ) 5.0 3.2 2.0 ! A.7694 at 2.56e+06 assign (resid 47 and name HB# ) (resid 93 and name HD1# ) 3.0 1.2 2.3 ! A.593 at 7.85e+06 assign (resid 47 and name HB# ) (resid 93 and name HG1# ) 4.0 2.2 3.0 ! A.6914 at 1.07e+06 assign (resid 47 and name HD# ) (resid 93 and name HD1# ) 3.0 1.2 3.7 ! A.586 at 5.97e+06 assign (resid 47 and name HD# ) (resid 94 and name HG ) 3.0 1.2 2.7 ! A.690 at 4.26e+06 assign (resid 47 and name HD# ) (resid 94 and name HD1# ) 4.0 2.2 4.4 ! A.1980 at 4.44e+06 assign (resid 47 and name HD# ) (resid 94 and name HD2# ) 5.0 3.2 4.4 ! A.123 at 1.17e+06 assign (resid 47 and name HB2 ) (resid 94 and name HD2# ) 4.0 2.2 2.0 ! A.2303 at -5.65e+05 assign (resid 47 and name HB1 ) (resid 94 and name HD2# ) 5.0 3.2 2.0 ! A.458 at -4.42e+05 assign (resid 47 and name HE# ) (resid 94 and name HD2# ) 4.0 2.2 4.4 ! A.7394 at 9.63e+05 assign (resid 47 and name HZ ) (resid 94 and name HB# ) 5.0 3.2 2.0 ! A.577 at 8.08e+05 assign (resid 47 and name HZ ) (resid 94 and name HD1# ) 3.0 1.2 1.3 ! A.1166 at 4.82e+06 assign (resid 47 and name HB1 ) (resid 94 and name HD1# ) 5.0 3.2 2.0 ! A.760 at 1.23e+06 assign (resid 47 and name HB2 ) (resid 94 and name HD1# ) 4.0 2.2 2.0 ! A.1978 at 3.34e+06 ! I48 assign (resid 48 and name HA ) (resid 49 and name HN ) 2.5 0.7 0.4 ! B.534 at 4.41e-01 assign (resid 48 and name HN ) (resid 49 and name HN ) 5.0 3.2 1.0 ! B.4003 at 2.30e-02 assign (resid 48 and name HG1# ) (resid 49 and name HN ) 5.0 3.2 2.0 ! B.5669 at 2.81e-02 assign (resid 48 and name HA ) (resid 49 and name HD2# ) 4.0 2.2 2.0 ! A.7241 at 1.14e+06 assign (resid 48 and name HA ) (resid 49 and name HB1 ) 5.0 3.2 1.0 ! A.391 at 5.70e+05 assign (resid 48 and name HD1# ) (resid 50 and name HD2# ) 3.0 1.2 2.2 ! A.469 at 2.14e+06 assign (resid 48 and name HD1# ) (resid 50 and name HG ) 3.0 1.2 1.3 ! A.6316 at 2.30e+06 assign (resid 48 and name HG1# ) (resid 50 and name HD2# ) 3.0 1.2 2.3 ! A.1209 at 3.69e+06 assign (resid 48 and name HN ) (resid 63 and name HA ) 5.0 3.2 1.0 ! B.1112 at 4.00e-02 assign (resid 48 and name HN ) (resid 64 and name HN ) 3.0 1.2 0.5 ! B.4082 at 1.47e-01 assign (resid 48 and name HG1# ) (resid 64 and name HN ) 5.0 3.2 2.0 ! B.5502 at 6.94e-02 assign (resid 48 and name HN ) (resid 64 and name HB ) 5.0 3.2 1.0 ! B.4000 at 6.37e-02 assign (resid 48 and name HD1# ) (resid 64 and name HG1# ) 3.0 1.2 2.3 ! A.6317 at 1.85e+06 assign (resid 48 and name HG1# ) (resid 64 and name HD1# ) 4.0 2.2 3.0 ! A.753 at 2.24e+06 assign (resid 48 and name HG1# ) (resid 64 and name HB ) 4.0 2.2 2.0 ! A.308 at 2.55e+06 assign (resid 48 and name HN ) (resid 65 and name HA ) 5.0 3.2 1.0 ! B.3079 at 3.62e-02 assign (resid 48 and name HN ) (resid 66 and name HN ) 5.0 3.2 1.0 ! B.2885 at 6.32e-02 assign (resid 48 and name HN ) (resid 66 and name HG2# ) 3.0 1.2 1.5 ! B.4001 at 2.07e-01 ! L49 assign (resid 49 and name HN ) (resid 50 and name HN ) 5.0 3.2 1.0 ! B.4002 at 3.23e-02 assign (resid 49 and name HD2# ) (resid 50 and name HN ) 5.0 3.2 2.0 ! B.3016 at 6.36e-02 assign (resid 49 and name HA ) (resid 50 and name HN ) 2.5 0.7 0.4 ! A.380 at 4.58e+06 assign (resid 49 and name HD2# ) (resid 61 and name HB1 ) 4.0 2.2 1.3 ! A.7243 at 1.58e+06 assign (resid 49 and name HB1 ) (resid 61 and name HB1) 5.0 3.2 1.0 ! A.1180 at 8.78e+05 assign (resid 49 and name HD1# ) (resid 61 and name HB1 ) 4.0 2.2 2.0 ! A.1175 at 1.94e+06 assign (resid 49 and name HA ) (resid 62 and name HN ) 4.0 2.2 1.0 ! B.4064 at 7.85e-02 assign (resid 49 and name HD2# ) (resid 63 and name HN ) 5.0 3.2 2.0 ! B.5501 at 5.36e-02 assign (resid 49 and name HD2# ) (resid 63 and name HA ) 4.0 2.2 1.2 ! A.697 at 1.16e+07 assign (resid 49 and name HA ) (resid 63 and name HB# ) 5.0 3.2 2.0 ! A.2473 at 1.05e+06 assign (resid 49 and name HA ) (resid 63 and name HA ) 5.0 3.2 1.0 ! A.405 at 1.48e+06 assign (resid 49 and name HD2# ) (resid 64 and name HN ) 3.0 1.2 1.5 ! B.143 at 1.64e-01 assign (resid 49 and name HA ) (resid 64 and name HN ) 4.0 2.2 1.0 ! B.147 at 1.03e-01 assign (resid 49 and name HD2# ) (resid 64 and name HG2# ) 4.0 2.2 3.0 ! A.2197 at 8.33e+05 assign (resid 49 and name HA ) (resid 64 and name HG1# ) 5.0 3.2 2.0 ! A.359 at 1.40e+06 assign (resid 49 and name HD2# ) (resid 94 and name HD2# ) 2.5 0.7 2.2 ! A.2464 at 2.21e+06 assign (resid 49 and name HD2# ) (resid 94 and name HD1# ) 4.0 2.2 3.0 ! A.433 at 5.85e+05 assign (resid 49 and name HD1# ) (resid 94 and name HD2# ) 4.0 2.2 3.0 ! A.1325 at 7.38e+05 assign (resid 49 and name HD2# ) (resid 95 and name HD# ) 5.0 3.2 4.4 ! A.117 at 1.01e+06 ! L50 assign (resid 50 and name HB1 ) (resid 51 and name HN ) 4.0 2.2 1.0 ! B.5205 at 7.05e-02 assign (resid 50 and name HB2 ) (resid 51 and name HN ) 4.0 2.2 1.0 ! B.359 at 8.45e-02 assign (resid 50 and name HA ) (resid 51 and name HN ) 2.5 0.7 0.4 ! A.390 at 4.88e+06 assign (resid 50 and name HD1# ) (resid 51 and name HN ) 5.0 3.2 2.0 ! B.5206 at 3.29e-02 assign (resid 50 and name HD2# ) (resid 51 and name HN ) 5.0 3.2 2.0 ! B.5206 at 3.29e-02 assign (resid 50 and name HD2# ) (resid 52 and name HD2# ) 4.0 2.2 3.0 ! A.583 at 5.95e+05 assign (resid 50 and name HD1# ) (resid 52 and name HD2# ) 4.0 2.2 3.0 ! A.581 at 9.84e+05 assign (resid 50 and name HD2# ) (resid 52 and name HD1# ) 4.0 2.2 3.0 ! A.456 at 5.57e+05 assign (resid 50 and name HA ) (resid 52 and name HD2# ) 5.0 3.2 2.0 ! A.252 at 9.54e+05 assign (resid 50 and name HB1 ) (resid 52 and name HD1# ) 4.0 2.2 2.0 ! A.596 at 4.00e+06 assign (resid 50 and name HN ) (resid 61 and name HA ) 5.0 3.2 1.0 ! B.3015 at 4.03e-02 assign (resid 50 and name HN ) (resid 62 and name HN ) 4.0 2.2 1.0 ! B.4062 at 1.27e-01 assign (resid 50 and name HB# ) (resid 62 and name HN ) 4.0 2.2 2.0 ! B.4067 at 8.86e-02 assign (resid 50 and name HN ) (resid 62 and name HB ) 4.0 2.2 1.0 ! B.4006 at 7.47e-02 assign (resid 50 and name HD1# ) (resid 62 and name HB ) 4.0 2.2 2.0 ! A.2271 at 2.38e+06 assign (resid 50 and name HB2 ) (resid 62 and name HB ) 5.0 3.2 1.0 ! A.1170 at 1.15e+06 assign (resid 50 and name HB1 ) (resid 62 and name HB ) 5.0 3.2 1.0 ! A.1157 at 1.70e+06 assign (resid 50 and name HD1# ) (resid 62 and name HG1# ) 4.0 2.2 3.0 ! A.1829 at 5.70e+05 assign (resid 50 and name HN ) (resid 63 and name HA ) 4.0 2.2 1.0 ! B.960 at 7.02e-02 assign (resid 50 and name HD1# ) (resid 64 and name HD1# ) 3.0 1.2 2.3 ! A.791 at 9.45e+06 assign (resid 50 and name HD2# ) (resid 64 and name HD1# ) 4.0 2.2 3.0 ! A.792 at 2.89e+06 assign (resid 50 and name HD2# ) (resid 64 and name HG2# ) 3.0 1.2 2.2 ! A.443 at 2.20e+06 assign (resid 50 and name HD2# ) (resid 64 and name HG1# ) 2.5 0.7 2.2 ! A.1211 at 9.47e+06 assign (resid 50 and name HD1# ) (resid 156 and name HB ) 4.0 2.2 2.0 ! A.872 at 2.72e+06 assign (resid 50 and name HD1# ) (resid 156 and name HG2# ) 4.0 2.2 3.0 ! A.2103 at 4.25e+06 assign (resid 50 and name HD2# ) (resid 156 and name HB ) 5.0 3.2 2.0 ! A.1206 at 1.04e+06 assign (resid 50 and name HD1# ) (resid 156 and name HA ) 5.0 3.2 2.0 ! A.1847 at 1.32e+06 ! N51 assign (resid 51 and name HN ) (resid 52 and name HN ) 5.0 3.2 1.0 ! B.4085 at 2.48e-02 assign (resid 51 and name HB# ) (resid 52 and name HN ) 5.0 3.2 2.0 ! B.4019 at 3.14e-02 assign (resid 51 and name HA ) (resid 52 and name HN ) 2.5 0.6 0.4 ! A.383 at 4.80e+06 assign (resid 51 and name HA ) (resid 52 and name HD2# ) 4.0 2.2 2.0 ! A.5344 at 8.12e+05 assign (resid 51 and name HA ) (resid 59 and name HG2# ) 5.0 3.2 2.0 ! A.47 at 1.31e+06 assign (resid 51 and name HB# ) (resid 59 and name HG2# ) 4.0 2.2 3.0 ! A.2062 at 3.70e+06 assign (resid 51 and name HA ) (resid 61 and name HA ) 4.0 2.2 1.0 ! A.384 at 1.90e+06 assign (resid 51 and name HA ) (resid 62 and name HN ) 4.0 2.2 1.0 ! B.4063 at 1.03e-01 ! L52 assign (resid 52 and name HB# ) (resid 53 and name HN ) 5.0 3.2 2.0 ! B.1030 at 6.05e-02 assign (resid 52 and name HA ) (resid 53 and name HN ) 5.0 3.2 1.0 ! A.344 at 1.22e+06 assign (resid 52 and name HD2# ) (resid 53 and name HN ) 3.0 1.2 1.5 ! B.4023 at 1.63e-01 assign (resid 52 and name HA ) (resid 59 and name HG2# ) 5.0 3.2 2.0 ! A.2074 at 1.55e+06 assign (resid 52 and name HB# ) (resid 60 and name HN ) 5.0 3.2 2.0 ! B.4051 at 5.90e-02 assign (resid 52 and name HN ) (resid 60 and name HN ) 4.0 2.2 1.0 ! B.1330 at 1.02e-01 assign (resid 52 and name HD1# ) (resid 60 and name HD1# ) 4.0 2.2 3.0 ! A.2547 at 6.61e+05 assign (resid 52 and name HB# ) (resid 60 and name HD1# ) 4.0 2.2 3.0 ! A.890 at 1.35e+06 assign (resid 52 and name HN ) (resid 61 and name HA ) 4.0 2.2 1.0 ! B.2625 at 1.01e-01 assign (resid 52 and name HD2# ) (resid 62 and name HB ) 4.0 2.2 2.0 ! A.6595 at 9.30e+05 assign (resid 52 and name HG ) (resid 130 and name HD2# ) 5.0 3.2 2.0 ! A.1921 at 4.35e+05 ! T53 assign (resid 53 and name HG2# ) (resid 54 and name HN ) 2.5 0.7 1.4 ! B.483 at 2.76e-01 assign (resid 53 and name HA ) (resid 54 and name HN ) 2.5 0.7 0.4 ! A.259 at 3.50e+06 assign (resid 53 and name HG2# ) (resid 57 and name HN ) 3.0 1.2 1.5 ! B.5615 at 1.48e-01 assign (resid 53 and name HG2# ) (resid 57 and name HA ) 3.0 1.2 1.3 ! A.1585 at 5.50e+06 assign (resid 53 and name HG2# ) (resid 57 and name HD# ) 4.0 2.2 4.4 ! A.1987 at -8.85e+05 assign (resid 53 and name HG2# ) (resid 57 and name HB# ) 4.0 2.2 3.0 ! A.1201 at 1.89e+06 assign (resid 53 and name HG2# ) (resid 58 and name HN ) 3.0 1.2 1.5 ! A.5939 at 1.78e+06 assign (resid 53 and name HA ) (resid 59 and name HN ) 5.0 3.2 1.0 ! B.2976 at 2.30e-02 assign (resid 53 and name HG2# ) (resid 59 and name HA ) 5.0 3.2 2.0 ! A.258 at 8.25e+05 assign (resid 53 and name HA ) (resid 59 and name HA ) 5.0 3.2 1.0 ! A.255 at 1.93e+06 assign (resid 53 and name HA ) (resid 59 and name HG2# ) 5.0 3.2 2.0 ! A.2058 at 1.26e+06 assign (resid 53 and name HA ) (resid 60 and name HN ) 5.0 3.2 1.0 ! A.260 at 1.66e+06 assign (resid 53 and name HN ) (resid 134 and name HD1# ) 4.0 2.2 2.0 ! B.5207 at 1.11e-01 assign (resid 53 and name HA ) (resid 134 and name HG2# ) 5.0 3.2 2.0 ! A.263 at 1.29e+06 ! S54 assign (resid 54 and name HB# ) (resid 55 and name HN ) 2.5 0.7 1.4 ! B.4031 at 2.68e-01 assign (resid 54 and name HA ) (resid 55 and name HN ) 2.5 0.7 0.4 ! B.4030 at 2.18e-01 assign (resid 54 and name HB# ) (resid 55 and name HB2 ) 4.0 2.2 2.0 ! A.2030 at 2.86e+06 assign (resid 54 and name HA ) (resid 55 and name HA ) 5.0 3.2 1.0 ! A.1106 at 1.27e+06 assign (resid 54 and name HB# ) (resid 56 and name HN ) 5.0 3.2 2.0 ! B.3121 at 3.27e-02 assign (resid 54 and name HA ) (resid 56 and name HN ) 5.0 3.2 1.0 ! B.4033 at 5.64e-02 assign (resid 54 and name HB# ) (resid 56 and name HB# ) 4.0 2.2 3.0 ! A.1997 at 1.48e+06 assign (resid 54 and name HN ) (resid 57 and name HA ) 5.0 3.2 1.0 ! B.5208 at 5.25e-02 assign (resid 54 and name HN ) (resid 57 and name HN ) 5.0 3.2 1.0 ! B.4069 at 2.18e-02 assign (resid 54 and name HN ) (resid 58 and name HB# ) 5.0 3.2 2.0 ! B.4025 at 3.47e-02 assign (resid 54 and name HN ) (resid 58 and name HN ) 3.0 1.2 0.5 ! B.466 at 1.41e-01 assign (resid 54 and name HA ) (resid 58 and name HN ) 5.0 3.2 1.0 ! B.3052 at 2.37e-02 assign (resid 54 and name HB# ) (resid 58 and name HN ) 5.0 3.2 2.0 ! B.3051 at 3.22e-02 assign (resid 54 and name HN ) (resid 58 and name HB2 ) 5.0 3.2 1.0 ! B.4025 at 3.47e-02 assign (resid 54 and name HN ) (resid 59 and name HA ) 4.0 2.2 1.0 ! B.469 at 1.12e-01 assign (resid 54 and name HN ) (resid 59 and name HG2# ) 5.0 3.2 2.0 ! B.5209 at 4.61e-02 assign (resid 54 and name HN ) (resid 60 and name HN ) 5.0 3.2 1.0 ! B.2855 at 4.93e-02 assign (resid 54 and name HN ) (resid 134 and name HG2# ) 3.0 1.2 1.5 ! B.4026 at 2.06e-01 assign (resid 54 and name HN ) (resid 134 and name HD1# ) 4.0 2.2 2.0 ! B.4027 at 9.09e-02 assign (resid 54 and name HB# ) (resid 134 and name HG2# ) 5.0 3.2 3.0 ! A.1689 at 1.03e+06 assign (resid 54 and name HA ) (resid 134 and name HG2# ) 4.0 2.2 2.0 ! A.1753 at 5.05e+05 assign (resid 54 and name HA ) (resid 134 and name HD1# ) 4.0 2.2 2.0 ! A.6288 at 1.34e+06 assign (resid 54 and name HB# ) (resid 134 and name HD1# ) 4.0 2.2 3.0 ! A.1687 at 1.95e+06 assign (resid 54 and name HB# ) (resid 134 and name HB ) 4.0 2.2 2.0 ! A.6984 at 9.68e+05 assign (resid 54 and name HB# ) (resid 135 and name HB ) 4.0 2.2 2.0 ! A.6123 at 1.85e+06 assign (resid 54 and name HB# ) (resid 135 and name HG2# ) 4.0 2.2 3.0 ! A.6983 at 9.65e+05 ! Y55 assign (resid 55 and name HB2 ) (resid 56 and name HN ) 5.0 3.2 1.0 ! B.4036 at 4.11e-02 assign (resid 55 and name HB1 ) (resid 56 and name HN ) 5.0 3.2 1.0 ! B.1270 at 5.39e-02 assign (resid 55 and name HA ) (resid 56 and name HN ) 4.0 2.2 1.0 ! B.4034 at 7.70e-02 assign (resid 55 and name HN ) (resid 56 and name HN ) 4.0 2.2 1.0 ! B.1250 at 9.08e-02 assign (resid 55 and name HB1 ) (resid 56 and name HB# ) 4.0 2.2 2.0 ! A.6194 at 9.42e+05 assign (resid 55 and name HA ) (resid 57 and name HN ) 5.0 3.2 1.0 ! B.4034 at 7.70e-02 assign (resid 55 and name HA ) (resid 58 and name HN ) 5.0 3.2 1.0 ! B.4034 at 7.70e-02 assign (resid 55 and name HE# ) (resid 128 and name HA ) 4.0 2.2 3.4 ! A.1792 at -7.28e+05 assign (resid 55 and name HN ) (resid 131 and name HB# ) 4.0 2.2 2.0 ! B.4032 at 1.26e-01 ! A56 assign (resid 56 and name HN ) (resid 57 and name HA ) 5.0 3.2 1.0 ! B.4035 at 6.21e-02 assign (resid 56 and name HA ) (resid 57 and name HN ) 3.0 1.2 0.5 ! B.4070 at 9.71e-02 assign (resid 56 and name HN ) (resid 57 and name HN ) 2.5 0.7 0.4 ! A.516 at 1.55e+06 assign (resid 56 and name HB# ) (resid 57 and name HN ) 3.0 1.2 1.5 ! A.816 at 5.55e+06 assign (resid 56 and name HA ) (resid 57 and name HD# ) 4.0 2.2 3.4 ! A.6130 at 9.04e+05 assign (resid 56 and name HN ) (resid 58 and name HN ) 5.0 3.2 1.0 ! A.512 at 5.10e+05 assign (resid 56 and name HB# ) (resid 58 and name HN ) 3.0 1.2 1.5 ! A.716 at 4.55e+06 ! Y57 assign (resid 57 and name HB# ) (resid 58 and name HN ) 5.0 3.2 2.0 ! B.4038 at 2.89e-02 assign (resid 57 and name HA ) (resid 58 and name HN ) 3.0 1.2 0.5 ! B.5213 at 2.50e-01 assign (resid 57 and name HN ) (resid 58 and name HN ) 4.0 2.2 1.0 ! A.431 at 9.17e+05 ! E58 assign (resid 58 and name HA ) (resid 59 and name HN ) 2.5 0.7 0.4 ! B.4045 at 4.12e-01 assign (resid 58 and name HB# ) (resid 59 and name HN ) 5.0 3.2 2.0 ! B.4046 at 4.49e-02 assign (resid 58 and name HN ) (resid 59 and name HN ) 5.0 3.2 1.0 ! B.3058 at 2.77e-02 assign (resid 58 and name HB1 ) (resid 59 and name HN ) 5.0 3.2 1.0 ! B.4046 at 4.49e-02 assign (resid 58 and name HG# ) (resid 60 and name HG2# ) 3.0 1.2 2.3 ! A.1204 at 8.13e+06 assign (resid 58 and name HN ) (resid 134 and name HG2# ) 5.0 3.2 2.0 ! B.3059 at 3.53e-02 assign (resid 58 and name HG# ) (resid 138 and name HE# ) 4.0 2.2 4.4 ! A.769 at 1.22e+06 assign (resid 58 and name HB# ) (resid 138 and name HE# ) 4.0 2.2 4.4 ! A.2082 at 2.28e+06 assign (resid 58 and name HA ) (resid 138 and name HE# ) 4.0 2.2 3.4 ! A.2198 at 2.07e+06 ! T59 assign (resid 59 and name HN ) (resid 60 and name HN ) 5.0 3.2 1.0 ! B.2978 at 3.22e-02 assign (resid 59 and name HA ) (resid 60 and name HN ) 2.5 0.7 0.4 ! A.254 at 4.38e+06 assign (resid 59 and name HG2# ) (resid 60 and name HN ) 2.5 0.7 1.4 ! B.4055 at 2.62e-01 assign (resid 59 and name HB ) (resid 60 and name HN ) 5.0 3.2 1.0 ! B.4050 at 6.47e-02 assign (resid 59 and name HG2# ) (resid 60 and name HA ) 5.0 3.2 2.0 ! A.2537 at 4.15e+05 assign (resid 59 and name HA ) (resid 134 and name HG1# ) 5.0 3.2 2.0 ! A.452 at 1.05e+06 ! I60 assign (resid 60 and name HA ) (resid 61 and name HN ) 2.5 0.7 0.4 ! B.4057 at 3.62e-01 assign (resid 60 and name HG2# ) (resid 61 and name HN ) 4.0 2.2 2.0 ! B.4060 at 1.14e-01 assign (resid 60 and name HD1# ) (resid 61 and name HN ) 5.0 3.2 2.0 ! B.3242 at 3.36e-02 assign (resid 60 and name HG1# ) (resid 61 and name HA ) 4.0 2.2 2.0 ! A.89 at 1.55e+06 assign (resid 60 and name HD1# ) (resid 62 and name HG2# ) 3.0 1.2 2.3 ! A.1113 at 1.54e+06 assign (resid 60 and name HD1# ) (resid 62 and name HB ) 5.0 3.2 2.0 ! A.1168 at 1.12e+06 assign (resid 60 and name HD1# ) (resid 74 and name HD# ) 4.0 2.2 4.4 ! A.464 at 3.05e+06 assign (resid 60 and name HB ) (resid 74 and name HD# ) 4.0 2.2 3.4 ! A.284 at 2.07e+06 assign (resid 60 and name HA ) (resid 75 and name HN ) 5.0 3.2 1.0 ! B.2853 at 4.77e-02 assign (resid 60 and name HG2# ) (resid 76 and name HA ) 4.0 2.2 2.0 ! A.2550 at 5.57e+05 assign (resid 60 and name HA ) (resid 76 and name HA ) 5.0 3.2 1.0 ! A.281 at 8.58e+05 assign (resid 60 and name HG2# ) (resid 76 and name HB ) 4.0 2.2 2.0 ! A.944 at 2.42e+06 assign (resid 60 and name HG2# ) (resid 76 and name HG2# ) 4.0 2.2 3.0 ! A.2389 at 7.96e+05 assign (resid 60 and name HG2# ) (resid 77 and name HN ) 4.0 2.2 2.0 ! B.4142 at 8.08e-02 assign (resid 60 and name HN ) (resid 134 and name HG1# ) 4.0 2.2 2.0 ! B.4056 at 1.35e-01 assign (resid 60 and name HG1# ) (resid 134 and name HG2# ) 3.0 1.2 2.3 ! A.6242 at 2.66e+06 assign (resid 60 and name HD1# ) (resid 134 and name HG1# ) 2.5 0.7 2.2 ! A.888 at 7.29e+06 assign (resid 60 and name HD1# ) (resid 134 and name HA ) 4.0 2.2 2.0 ! A.551 at 3.96e+06 assign (resid 60 and name HD1# ) (resid 134 and name HG2# ) 4.0 2.2 2.3 ! A.1756 at 1.05e+06 assign (resid 60 and name HG2# ) (resid 134 and name HG2# ) 3.0 1.2 2.3 ! A.1755 at 1.06e+06 assign (resid 60 and name HB ) (resid 134 and name HG1# ) 5.0 3.2 2.0 ! A.1053 at 9.27e+05 assign (resid 60 and name HD1# ) (resid 137 and name HD1# ) 3.0 1.2 2.3 ! A.554 at 8.49e+06 assign (resid 60 and name HD1# ) (resid 137 and name HB# ) 2.5 0.7 2.2 ! A.886 at 1.34e+07 assign (resid 60 and name HG2# ) (resid 138 and name HN ) 5.0 3.2 2.0 ! B.4478 at 6.39e-02 assign (resid 60 and name HG2# ) (resid 138 and name HA ) 5.0 3.2 2.0 ! A.1393 at 9.98e+05 assign (resid 60 and name HG2# ) (resid 138 and name HB# ) 4.0 2.2 3.0 ! A.2020 at -5.25e+05 assign (resid 60 and name HG2# ) (resid 138 and name HD# ) 4.0 2.2 4.4 ! A.138 at 2.50e+06 assign (resid 60 and name HD1# ) (resid 138 and name HD# ) 5.0 3.2 4.4 ! A.549 at 1.01e+06 assign (resid 60 and name HG1# ) (resid 138 and name HE# ) 5.0 3.2 4.4 ! A.2083 at 1.02e+06 assign (resid 60 and name HD1# ) (resid 152 and name HD2# ) 3.0 1.2 2.3 ! A.2546 at 1.61e+06 ! S61 assign (resid 61 and name HA ) (resid 62 and name HN ) 2.5 0.7 0.4 ! B.2597 at 4.75e-01 assign (resid 61 and name HB# ) (resid 62 and name HN ) 5.0 3.2 2.0 ! B.4065 at 5.01e-02 assign (resid 61 and name HB1 ) (resid 62 and name HN ) 5.0 3.2 1.0 ! B.3608 at 4.28e-02 assign (resid 61 and name HA ) (resid 62 and name HB ) 5.0 3.2 1.0 ! A.287 at 7.59e+05 assign (resid 61 and name HB1 ) (resid 62 and name HA ) 4.0 2.2 1.0 ! A.291 at 5.55e+06 assign (resid 61 and name HB2 ) (resid 62 and name HA ) 4.0 2.2 1.0 ! A.1329 at 7.76e+06 assign (resid 61 and name HA ) (resid 62 and name HG2# ) 5.0 3.2 2.0 ! A.310 at 1.44e+06 assign (resid 61 and name HN ) (resid 75 and name HN ) 4.0 2.2 1.0 ! B.4122 at 1.29e-01 assign (resid 61 and name HB1 ) (resid 75 and name HN ) 4.0 2.2 1.0 ! B.4125 at 9.34e-02 assign (resid 61 and name HB2 ) (resid 75 and name HA ) 5.0 3.2 1.0 ! A.1135 at 1.50e+06 ! V62 assign (resid 62 and name HA ) (resid 63 and name HN ) 2.5 0.7 0.4 ! B.4079 at 4.21e-01 assign (resid 62 and name HA ) (resid 63 and name HB# ) 4.0 2.2 2.0 ! A.6095 at 2.22e+06 assign (resid 62 and name HG1# ) (resid 64 and name HB ) 4.0 2.2 2.0 ! A.6512 at 2.24e+06 assign (resid 62 and name HG1# ) (resid 64 and name HD1# ) 3.0 1.2 2.3 ! A.2514 at -1.71e+06 assign (resid 62 and name HA ) (resid 74 and name HA ) 4.0 2.2 1.0 ! A.330 at 1.82e+06 assign (resid 62 and name HG2# ) (resid 74 and name HB1 ) 5.0 3.2 2.0 ! A.570 at 1.30e+06 assign (resid 62 and name HG2# ) (resid 74 and name HB2 ) 4.0 2.2 2.0 ! A.934 at 1.51e+06 assign (resid 62 and name HG2# ) (resid 74 and name HA ) 5.0 3.2 2.0 ! A.334 at 1.71e+06 assign (resid 62 and name HA ) (resid 75 and name HN ) 4.0 2.2 1.0 ! B.474 at 9.93e-02 assign (resid 62 and name HG1# ) (resid 152 and name HD2# ) 2.5 0.7 2.2 ! A.2680 at 2.09e+06 assign (resid 62 and name HB ) (resid 152 and name HD2# ) 5.0 3.2 2.0 ! A.1169 at 1.34e+06 assign (resid 62 and name HB ) (resid 152 and name HD1# ) 4.0 2.2 2.0 ! A.2314 at 2.44e+06 ! A63 assign (resid 63 and name HN ) (resid 64 and name HN ) 4.0 2.2 1.0 ! B.4081 at 9.23e-02 assign (resid 63 and name HA ) (resid 64 and name HN ) 2.5 0.7 0.4 ! A.403 at 6.75e+06 assign (resid 63 and name HB# ) (resid 64 and name HN ) 2.5 0.7 1.4 ! B.4084 at 2.30e-01 assign (resid 63 and name HA ) (resid 64 and name HG2# ) 4.0 2.2 2.0 ! A.7530 at 1.34e+06 assign (resid 63 and name HA ) (resid 64 and name HB ) 5.0 3.2 1.0 ! A.305 at 1.27e+06 assign (resid 63 and name HA ) (resid 64 and name HA ) 4.0 2.2 1.0 ! A.294 at 1.32e+06 assign (resid 63 and name HB# ) (resid 71 and name HA ) 4.0 2.2 2.0 ! A.2480 at 5.29e+06 assign (resid 63 and name HN ) (resid 72 and name HN ) 5.0 3.2 1.0 ! B.4111 at 3.40e-02 assign (resid 63 and name HN ) (resid 73 and name HN ) 5.0 3.2 1.0 ! B.1131 at 6.64e-02 assign (resid 63 and name HB# ) (resid 73 and name HN ) 4.0 2.2 2.0 ! A.7297 at 1.04e+06 assign (resid 63 and name HB# ) (resid 73 and name HB# ) 3.0 1.2 2.3 ! A.1958 at 1.06e+07 assign (resid 63 and name HN ) (resid 74 and name HN ) 5.0 3.2 1.0 ! B.3168 at 3.02e-02 assign (resid 63 and name HN ) (resid 74 and name HA ) 5.0 3.2 1.0 ! A.332 at 1.34e+06 assign (resid 63 and name HN ) (resid 75 and name HN ) 5.0 3.2 1.0 ! B.4121 at 6.46e-02 assign (resid 63 and name HB# ) (resid 94 and name HD1# ) 2.5 0.7 2.2 ! A.528 at 1.43e+07 assign (resid 63 and name HB# ) (resid 94 and name HD2# ) 3.0 1.2 2.3 ! A.444 at 1.79e+06 ! I64 assign (resid 64 and name HA ) (resid 65 and name HN ) 2.5 0.7 0.4 ! A.321 at 4.70e+06 assign (resid 64 and name HG1# ) (resid 65 and name HN ) 4.0 2.2 2.0 ! B.4087 at 7.06e-02 assign (resid 64 and name HA ) (resid 65 and name HB# ) 5.0 3.2 2.0 ! A.313 at 1.08e+06 assign (resid 64 and name HD1# ) (resid 69 and name HG1# ) 4.0 2.2 3.0 ! A.2511 at -9.21e+05 assign (resid 64 and name HB ) (resid 69 and name HG1# ) 3.0 1.2 1.3 ! A.1191 at 4.34e+06 assign (resid 64 and name HD1# ) (resid 69 and name HA ) 4.0 2.2 2.0 ! A.459 at 1.38e+06 assign (resid 64 and name HG2# ) (resid 69 and name HA ) 4.0 2.2 2.0 ! A.1341 at 4.68e+06 assign (resid 64 and name HD1# ) (resid 69 and name HB ) 4.0 2.2 2.0 ! A.1704 at 1.65e+06 assign (resid 64 and name HB ) (resid 69 and name HG2# ) 4.0 2.2 2.0 ! A.2408 at 2.00e+06 assign (resid 64 and name HD1# ) (resid 71 and name HA ) 4.0 2.2 1.3 ! A.786 at 6.52e+06 assign (resid 64 and name HA ) (resid 71 and name HA ) 5.0 3.2 1.0 ! A.318 at 1.46e+06 assign (resid 64 and name HG2# ) (resid 71 and name HB ) 3.0 1.2 1.3 ! A.6714 at 5.24e+06 assign (resid 64 and name HD1# ) (resid 71 and name HG2# ) 4.0 2.2 3.0 ! A.2516 at -3.72e+06 assign (resid 64 and name HA ) (resid 71 and name HG1# ) 5.0 3.2 2.0 ! A.2308 at 3.96e+05 assign (resid 64 and name HA ) (resid 72 and name HN ) 5.0 3.2 1.0 ! A.320 at 9.18e+05 assign (resid 64 and name HA ) (resid 72 and name HG1# ) 5.0 3.2 2.0 ! A.317 at 8.41e+05 assign (resid 64 and name HA ) (resid 72 and name HG2# ) 4.0 2.2 2.0 ! A.315 at 3.01e+06 assign (resid 64 and name HG2# ) (resid 152 and name HG ) 4.0 2.2 2.0 ! A.601 at 1.45e+06 assign (resid 64 and name HG1# ) (resid 156 and name HB ) 5.0 3.2 2.0 ! A.1170 at 1.14e+06 assign (resid 64 and name HD1# ) (resid 157 and name HB# ) 4.0 2.2 3.0 ! A.2155 at 3.39e+06 assign (resid 64 and name HA ) (resid 157 and name HB# ) 5.0 3.2 2.0 ! A.420 at 1.66e+06 ! D65 assign (resid 65 and name HB# ) (resid 66 and name HN ) 5.0 3.2 2.0 ! B.5216 at 5.44e-02 assign (resid 65 and name HA ) (resid 66 and name HN ) 2.5 0.7 0.4 ! A.365 at 3.10e+06 assign (resid 65 and name HA ) (resid 66 and name HA ) 4.0 2.2 1.0 ! A.5515 at 8.98e+05 assign (resid 65 and name HA ) (resid 66 and name HG2# ) 4.0 2.2 2.0 ! A.2591 at 1.57e+06 assign (resid 65 and name HA ) (resid 67 and name HN ) 4.0 2.2 1.0 ! B.3486 at 8.28e-02 assign (resid 65 and name HB# ) (resid 70 and name HN ) 4.0 2.2 2.0 ! B.5219 at 7.98e-02 assign (resid 65 and name HN ) (resid 70 and name HN ) 5.0 3.2 1.0 ! B.3607 at 4.93e-02 assign (resid 65 and name HB# ) (resid 70 and name HD# ) 4.0 2.2 4.4 ! A.616 at 3.22e+06 assign (resid 65 and name HN ) (resid 71 and name HA ) 5.0 3.2 1.0 ! B.3606 at 3.90e-02 assign (resid 65 and name HN ) (resid 71 and name HN ) 5.0 3.2 1.0 ! B.4011 at 4.05e-02 assign (resid 65 and name HN ) (resid 72 and name HG2# ) 3.0 1.2 1.5 ! B.5535 at 1.65e-01 assign (resid 65 and name HB# ) (resid 72 and name HG2# ) 4.0 2.2 3.0 ! A.34 at -5.63e+05 assign (resid 65 and name HB# ) (resid 72 and name HB ) 5.0 3.2 2.0 ! A.1374 at 8.56e+05 assign (resid 65 and name HB# ) (resid 72 and name HG1# ) 3.0 1.2 2.3 ! A.2518 at 5.39e+06 assign (resid 65 and name HA ) (resid 72 and name HG2# ) 4.0 2.2 2.0 ! A.2641 at 2.75e+06 ! V66 assign (resid 66 and name HN ) (resid 67 and name HG2# ) 3.0 1.2 1.5 ! B.5618 at 1.42e-01 assign (resid 66 and name HN ) (resid 67 and name HN ) 3.0 1.2 0.5 ! B.2886 at 1.47e-01 assign (resid 66 and name HG1# ) (resid 67 and name HN ) 3.0 1.2 1.5 ! B.2320 at 1.98e-01 assign (resid 66 and name HA ) (resid 67 and name HN ) 4.0 2.2 1.0 ! B.4095 at 1.02e-01 assign (resid 66 and name HG1# ) (resid 67 and name HB ) 4.0 2.2 2.0 ! A.7655 at 1.23e+06 assign (resid 66 and name HB ) (resid 67 and name HB ) 5.0 3.2 1.0 ! A.317 at 1.04e+06 assign (resid 66 and name HG1# ) (resid 67 and name HG2# ) 3.0 1.2 2.3 ! A.2429 at 1.60e+06 assign (resid 66 and name HB ) (resid 67 and name HA ) 5.0 3.2 1.0 ! A.1451 at 1.59e+06 assign (resid 66 and name HA ) (resid 69 and name HN ) 5.0 3.2 1.0 ! B.3200 at 6.30e-02 assign (resid 66 and name HB ) (resid 69 and name HN ) 5.0 3.2 1.0 ! B.3201 at 5.40e-02 assign (resid 66 and name HA ) (resid 69 and name HA ) 5.0 3.2 1.0 ! A.324 at 8.09e+05 ! T67 assign (resid 67 and name HG2# ) (resid 68 and name HN ) 3.0 1.2 1.5 ! B.4097 at 1.40e-01 assign (resid 67 and name HN ) (resid 68 and name HN ) 4.0 2.2 1.0 ! B.1388 at 2.43e-01 assign (resid 67 and name HG2# ) (resid 68 and name HA ) 4.0 2.2 2.0 ! A.5519 at 1.26e+06 assign (resid 67 and name HB ) (resid 68 and name HN ) 4.0 2.2 1.0 ! A.848 at 2.18e+06 assign (resid 67 and name HN ) (resid 69 and name HN ) 4.0 2.2 1.0 ! B.3199 at 9.91e-02 assign (resid 67 and name HG2# ) (resid 69 and name HN ) 3.0 1.3 1.5 ! B.5652 at 3.14e-01 ! N68 assign (resid 68 and name HN ) (resid 69 and name HN ) 2.5 0.7 0.4 ! B.5218 at 5.98e-01 assign (resid 68 and name HN ) (resid 69 and name HA ) 4.0 2.2 1.0 ! B.5542 at 2.07e-01 !assign (resid 68 and name HN ) (resid 69 and name HG1# ) 5.0 3.2 2.0 ! B.4096 at 8.77e-02 assign (resid 68 and name HA ) (resid 69 and name HG2# ) 5.0 3.2 2.0 ! A.698 at 1.76e+06 assign (resid 68 and name HN ) (resid 70 and name HN ) 4.0 2.2 1.0 ! B.1342 at 1.11e-01 assign (resid 68 and name HB# ) (resid 70 and name HN ) 5.0 3.2 2.0 ! B.5619 at 1.47e-02 assign (resid 68 and name HB# ) (resid 239 and name HD1# ) 5.0 3.2 3.0 ! A.953 at 1.77e+06 assign (resid 68 and name HA ) (resid 239 and name HD1# ) 4.0 2.2 1.3 ! A.2473 at -1.06e+06 ! V69 assign (resid 69 and name HA ) (resid 70 and name HN ) 4.0 2.2 1.0 ! B.1446 at 1.07e-01 assign (resid 69 and name HN ) (resid 70 and name HN ) 3.0 1.2 0.5 ! B.1431 at 1.64e-01 assign (resid 69 and name HG2# ) (resid 70 and name HN ) 5.0 3.2 2.0 ! B.4104 at 2.82e-02 assign (resid 69 and name HG1# ) (resid 70 and name HA ) 4.0 2.2 2.0 ! A.1701 at 1.88e+06 assign (resid 69 and name HG1# ) (resid 156 and name HB ) 4.0 2.2 2.0 ! A.1753 at 6.13e+06 assign (resid 69 and name HG2# ) (resid 157 and name HA ) 5.0 3.2 2.0 ! A.699 at 1.61e+06 assign (resid 69 and name HG1# ) (resid 157 and name HA ) 4.0 2.2 2.0 ! A.1801 at 4.06e+06 assign (resid 69 and name HG1# ) (resid 157 and name HB# ) 3.0 1.2 2.3 ! A.1485 at 1.95e+06 assign (resid 69 and name HB ) (resid 157 and name HB# ) 5.0 3.2 2.0 ! A.2159 at 1.55e+06 assign (resid 69 and name HG1# ) (resid 158 and name HA ) 5.0 3.2 2.0 ! A.1705 at 1.35e+06 assign (resid 69 and name HG1# ) (resid 160 and name HB# ) 4.0 2.2 3.0 ! A.1469 at 9.72e+05 assign (resid 69 and name HB ) (resid 160 and name HB# ) 4.0 2.2 2.0 ! A.6177 at 9.30e+05 assign (resid 69 and name HG2# ) (resid 190 and name HZ2 ) 5.0 3.2 2.0 ! A.371 at 1.34e+06 assign (resid 69 and name HG1# ) (resid 237 and name HD2# ) 4.0 2.2 3.0 ! A.2596 at 6.74e+05 assign (resid 69 and name HG2# ) (resid 237 and name HD1# ) 3.0 1.2 2.3 ! A.2463 at 1.05e+06 ! Y70 assign (resid 70 and name HN ) (resid 71 and name HN ) 5.0 3.2 1.0 ! B.4105 at 3.95e-02 assign (resid 70 and name HD# ) (resid 71 and name HN ) 5.0 3.2 3.4 ! B.4106 at 3.59e-02 assign (resid 70 and name HB1 ) (resid 71 and name HN ) 5.0 3.2 1.0 ! B.4107 at 4.93e-02 assign (resid 70 and name HB2 ) (resid 71 and name HN ) 4.0 2.2 1.0 ! B.543 at 1.03e-01 assign (resid 70 and name HA ) (resid 71 and name HN ) 2.5 0.7 0.4 ! B.535 at 4.22e-01 !assign (resid 70 and name HN ) (resid 71 and name HB ) 5.0 3.2 1.0 ! B.4103 at 2.76e-02 assign (resid 70 and name HD# ) (resid 107 and name HA# ) 5.0 3.2 4.4 ! A.718 at 9.35e+05 assign (resid 70 and name HD# ) (resid 153 and name HD1# ) 3.0 1.2 3.7 ! A.669 at 5.34e+06 assign (resid 70 and name HB2 ) (resid 153 and name HD1# ) 5.0 3.2 2.0 ! A.1097 at 9.01e+05 ! V71 assign (resid 71 and name HA ) (resid 72 and name HN ) 2.5 0.7 0.4 ! B.4112 at 5.82e-01 assign (resid 71 and name HA ) (resid 73 and name HN ) 4.0 2.2 1.0 ! B.1135 at 9.90e-02 assign (resid 71 and name HG* ) (resid 83 and name HE# ) 4.0 2.2 5.4 ! A.2744 at -8.34e+05 assign (resid 71 and name HG* ) (resid 94 and name HD1# ) 4.0 2.2 4.0 ! A.2557 at 1.07e+06 assign (resid 71 and name HB ) (resid 153 and name HD1# ) 3.0 1.2 1.3 ! A.6358 at 1.73e+06 assign (resid 71 and name HB ) (resid 153 and name HG1# ) 2.5 0.7 1.2 ! A.6717 at 8.83e+06 assign (resid 71 and name HG* ) (resid 153 and name HA ) 4.0 2.2 3.0 ! A.2528 at 6.33e+05 assign (resid 71 and name HG* ) (resid 153 and name HD1# ) 4.0 2.2 4.0 ! A.1528 at 6.04e+05 assign (resid 71 and name HG* ) (resid 157 and name HN ) 5.0 3.2 3.0 ! B.4588 at 6.59e-02 assign (resid 71 and name HG* ) (resid 157 and name HB# ) 3.0 1.2 3.3 ! A.2530 at 1.31e+06 assign (resid 71 and name HB ) (resid 157 and name HB# ) 4.0 2.2 2.0 ! A.1465 at 1.78e+06 ! V72 assign (resid 72 and name HN ) (resid 73 and name HN ) 2.5 0.7 0.4 ! B.601 at 4.81e-01 assign (resid 72 and name HN ) (resid 73 and name HB# ) 5.0 3.2 2.0 ! B.2898 at 4.00e-02 assign (resid 72 and name HG1# ) (resid 73 and name HN ) 4.0 2.2 2.0 ! A.7363 at 9.39e+05 assign (resid 72 and name HB ) (resid 73 and name HN ) 5.0 3.2 1.0 ! B.4114 at 6.22e-02 assign (resid 72 and name HA ) (resid 73 and name HN ) 5.0 3.2 1.0 ! B.1134 at 5.46e-02 assign (resid 72 and name HG2# ) (resid 73 and name HN ) 4.0 2.2 2.0 ! B.4116 at 3.02e-01 assign (resid 72 and name HG1# ) (resid 73 and name HN ) 5.0 3.2 4.0 ! B.4115 at 3.65e-02 assign (resid 72 and name HG1# ) (resid 73 and name HA ) 5.0 3.2 2.0 ! A.7373 at 1.17e+06 assign (resid 72 and name HG1# ) (resid 73 and name HB# ) 4.0 2.2 3.0 ! A.2406 at 9.67e+05 assign (resid 72 and name HG2# ) (resid 73 and name HB# ) 3.0 1.2 2.3 ! A.2404 at 1.56e+06 assign (resid 72 and name HB ) (resid 73 and name HB# ) 5.0 3.2 2.0 ! A.1202 at 1.47e+06 assign (resid 72 and name HA ) (resid 73 and name HB# ) 5.0 3.2 2.0 ! A.334 at 1.07e+06 assign (resid 72 and name HG1# ) (resid 82 and name HB1 ) 4.0 2.2 2.0 ! A.7384 at 1.69e+06 assign (resid 72 and name HG1# ) (resid 82 and name HD# ) 4.0 2.2 4.4 ! A.7362 at 1.15e+06 assign (resid 72 and name HA ) (resid 82 and name HB# ) 4.0 2.2 2.0 ! A.992 at 3.05e+06 assign (resid 72 and name HG1# ) (resid 82 and name HB# ) 4.0 2.2 3.0 ! A.994 at 3.10e+06 assign (resid 72 and name HA ) (resid 83 and name HD# ) 4.0 2.2 3.4 ! A.163 at 4.60e+06 assign (resid 72 and name HG1# ) (resid 86 and name HB1 ) 4.0 2.2 2.0 ! A.1337 at 2.11e+06 assign (resid 72 and name HA ) (resid 87 and name HG# ) 5.0 3.2 2.0 ! A.1646 at 1.05e+06 assign (resid 72 and name HG1# ) (resid 87 and name HG# ) 3.0 1.2 2.3 ! A.7382 at 2.43e+06 assign (resid 72 and name HG1# ) (resid 87 and name HB# ) 5.0 3.2 3.0 ! A.1427 at 1.35e+06 assign (resid 72 and name HG1# ) (resid 87 and name HD# ) 4.0 2.2 3.0 ! A.2147 at 1.82e+06 assign (resid 72 and name HG2# ) (resid 90 and name HB# ) 3.0 1.2 2.3 ! A.2556 at 1.63e+06 assign (resid 72 and name HG1# ) (resid 94 and name HD1# ) 4.0 2.2 3.0 ! A.429 at 1.74e+06 assign (resid 72 and name HG2# ) (resid 94 and name HD1# ) 3.0 1.2 2.3 ! A.2050 at 8.28e+06 assign (resid 72 and name HB ) (resid 94 and name HD1# ) 5.0 3.2 2.0 ! A.1372 at 9.24e+05 assign (resid 72 and name HG2# ) (resid 94 and name HD2# ) 3.0 1.2 2.3 ! A.2076 at 1.03e+07 !assign (resid 72 and name HG1# ) (resid 107 and name HA# ) 5.0 3.2 3.0 ! A.2546 at 1.24e+06 ! A73 assign (resid 73 and name HN ) (resid 74 and name HN ) 5.0 3.2 1.0 ! B.3640 at 1.21e-02 assign (resid 73 and name HB# ) (resid 74 and name HN ) 2.5 0.7 1.4 ! B.1380 at 2.72e-01 assign (resid 73 and name HA ) (resid 74 and name HN ) 4.0 2.2 1.0 ! A.407 at 2.34e+06 assign (resid 73 and name HB# ) (resid 81 and name HN ) 5.0 3.2 2.0 ! B.5235 at 5.30e-02 assign (resid 73 and name HB# ) (resid 82 and name HA ) 3.0 1.2 1.3 ! A.1950 at 6.22e+06 assign (resid 73 and name HA ) (resid 82 and name HA ) 5.0 3.2 1.0 ! A.408 at 1.36e+06 assign (resid 73 and name HB# ) (resid 82 and name HD# ) 4.0 2.2 4.4 ! A.1955 at 4.22e+06 assign (resid 73 and name HB# ) (resid 82 and name HB2 ) 4.0 2.2 2.0 ! A.335 at 1.66e+06 assign (resid 73 and name HB# ) (resid 82 and name HB# ) 4.0 2.2 3.0 ! A.628 at 2.10e+06 assign (resid 73 and name HB# ) (resid 83 and name HN ) 4.0 2.2 2.0 ! B.1091 at 8.86e-02 assign (resid 73 and name HA ) (resid 83 and name HN ) 4.0 2.2 1.0 ! B.1078 at 8.43e-02 assign (resid 73 and name HB# ) (resid 87 and name HB# ) 5.0 3.2 3.0 ! A.1424 at 1.20e+06 assign (resid 73 and name HB# ) (resid 90 and name HB# ) 4.0 2.2 3.0 ! A.2409 at 5.35e+05 assign (resid 73 and name HB# ) (resid 94 and name HD1# ) 4.0 2.2 3.0 ! A.529 at 5.08e+06 assign (resid 73 and name HN ) (resid 94 and name HD1# ) 4.0 2.2 2.0 ! A.518 at 2.42e+06 assign (resid 73 and name HB# ) (resid 94 and name HD2# ) 4.0 2.2 3.0 ! A.1959 at 4.38e+06 ! Y74 assign (resid 74 and name HB1 ) (resid 75 and name HN ) 4.0 2.2 1.0 ! B.479 at 1.26e-01 assign (resid 74 and name HA ) (resid 75 and name HN ) 2.5 0.7 0.4 ! A.331 at 3.15e+06 assign (resid 74 and name HD# ) (resid 75 and name HN ) 4.0 2.2 3.4 ! B.468 at 1.35e-01 assign (resid 74 and name HB2 ) (resid 75 and name HN ) 4.0 2.2 1.0 ! B.489 at 1.65e-01 assign (resid 74 and name HE# ) (resid 76 and name HB ) 3.0 1.2 2.7 ! A.6513 at 1.52e+06 assign (resid 74 and name HD# ) (resid 76 and name HG2# ) 4.0 2.2 4.4 ! A.2101 at 3.14e+06 assign (resid 74 and name HE# ) (resid 76 and name HG2# ) 5.0 3.2 4.4 ! A.271 at 1.25e+06 assign (resid 74 and name HE# ) (resid 76 and name HN ) 4.0 2.2 3.4 ! A.270 at 2.08e+06 assign (resid 74 and name HN ) (resid 81 and name HN ) 3.0 1.2 0.5 ! B.4164 at 1.65e-01 assign (resid 74 and name HD# ) (resid 81 and name HN ) 5.0 3.2 3.4 ! B.4167 at 5.34e-02 assign (resid 74 and name HN ) (resid 81 and name HB1 ) 5.0 3.2 1.0 ! B.4119 at 2.78e-02 assign (resid 74 and name HN ) (resid 81 and name HB2 ) 5.0 3.2 1.0 ! B.5223 at 2.17e-02 assign (resid 74 and name HN ) (resid 82 and name HA ) 5.0 3.2 1.0 ! B.1381 at 6.43e-02 assign (resid 74 and name HE# ) (resid 137 and name HD2# ) 5.0 3.2 4.4 ! A.272 at 7.39e+05 assign (resid 74 and name HE# ) (resid 140 and name HN ) 5.0 3.2 3.4 ! A.269 at 1.37e+06 assign (resid 74 and name HD# ) (resid 149 and name HD2# ) 4.0 2.2 4.4 ! A.2513 at 2.49e+06 assign (resid 74 and name HE# ) (resid 149 and name HD2# ) 4.0 2.2 4.4 ! A.815 at 1.12e+06 assign (resid 74 and name HD# ) (resid 149 and name HD1# ) 3.0 1.2 3.7 ! A.2141 at 5.19e+06 assign (resid 74 and name HA ) (resid 152 and name HD2# ) 5.0 3.2 2.0 ! A.336 at 1.00e+06 ! R75 assign (resid 75 and name HN ) (resid 76 and name HN ) 5.0 3.2 1.0 ! B.721 at 6.88e-02 assign (resid 75 and name HA ) (resid 76 and name HN ) 2.5 0.7 0.4 ! B.725 at 4.34e-01 assign (resid 75 and name HA ) (resid 79 and name HN ) 5.0 3.2 1.0 ! B.4155 at 1.47e-02 assign (resid 75 and name HN ) (resid 80 and name HA ) 5.0 3.2 1.0 ! B.5224 at 5.82e-02 assign (resid 75 and name HA ) (resid 80 and name HA ) 4.0 2.2 1.0 ! A.343 at 3.28e+06 assign (resid 75 and name HA ) (resid 80 and name HB# ) 5.0 3.2 2.0 ! A.1068 at 1.62e+06 assign (resid 75 and name HA ) (resid 81 and name HN ) 4.0 2.2 1.0 ! B.962 at 9.46e-02 assign (resid 75 and name HD# ) (resid 98 and name HN ) 5.0 3.2 2.0 ! A.575 at 2.50e+06 assign (resid 75 and name HD# ) (resid 98 and name HG2# ) 4.0 2.2 3.0 ! A.572 at 4.37e+06 ! T76 assign (resid 76 and name HG2# ) (resid 77 and name HN ) 3.0 1.2 1.5 ! B.4141 at 3.00e-01 assign (resid 76 and name HA ) (resid 77 and name HN ) 2.5 0.7 0.4 ! B.4135 at 8.05e-01 assign (resid 76 and name HB ) (resid 77 and name HN ) 4.0 2.2 1.0 ! B.4137 at 1.29e-01 assign (resid 76 and name HA ) (resid 77 and name HA ) 5.0 3.2 1.0 ! A.1625 at 1.30e+06 assign (resid 76 and name HG2# ) (resid 77 and name HB# ) 4.0 2.2 3.0 ! A.1295 at 3.10e+06 assign (resid 76 and name HG2# ) (resid 78 and name HN ) 4.0 2.2 2.0 ! B.5229 at 1.08e-01 assign (resid 76 and name HG2# ) (resid 79 and name HN ) 5.0 3.2 2.0 ! B.519 at 3.18e-02 assign (resid 76 and name HN ) (resid 79 and name HN ) 4.0 2.2 1.0 ! B.4128 at 7.66e-02 assign (resid 76 and name HG2# ) (resid 79 and name HB ) 4.0 2.2 2.0 ! A.2390 at -9.14e+05 assign (resid 76 and name HG2# ) (resid 79 and name HG2# ) 4.0 2.2 3.0 ! A.2335 at 7.78e+05 assign (resid 76 and name HG2# ) (resid 79 and name HG1# ) 3.0 1.2 2.3 ! A.2327 at 1.42e+06 assign (resid 76 and name HG2# ) (resid 81 and name HE# ) 3.0 1.2 3.7 ! A.324 at 5.63e+06 assign (resid 76 and name HG2# ) (resid 81 and name HD# ) 3.0 1.2 3.7 ! A.2099 at 5.42e+06 assign (resid 76 and name HN ) (resid 98 and name HG2# ) 5.0 3.2 2.0 ! B.4131 at 5.18e-02 assign (resid 76 and name HB ) (resid 137 and name HB# ) 5.0 3.2 2.0 ! A.945 at 1.65e+06 assign (resid 76 and name HG2# ) (resid 138 and name HA ) 4.0 2.2 2.0 ! A.1412 at 2.20e+06 assign (resid 76 and name HG2# ) (resid 138 and name HD# ) 3.0 1.2 3.7 ! A.2100 at 6.43e+06 assign (resid 76 and name HB ) (resid 138 and name HD# ) 4.0 2.2 3.4 ! A.955 at 2.14e+06 assign (resid 76 and name HA ) (resid 138 and name HE# ) 5.0 3.2 3.4 ! A.205 at 1.44e+06 assign (resid 76 and name HA ) (resid 138 and name HA ) 4.0 2.2 1.0 ! A.9 at 3.02e+06 assign (resid 76 and name HG2# ) (resid 140 and name HN ) 5.0 3.2 2.0 ! B.4492 at 3.77e-02 ! R77 assign (resid 77 and name HN ) (resid 78 and name HN ) 5.0 3.2 1.0 ! A.49 at 5.34e+05 assign (resid 77 and name HA ) (resid 78 and name HN ) 3.0 1.2 0.5 ! B.4146 at 1.40e-01 assign (resid 77 and name HD# ) (resid 78 and name HN ) 5.0 3.2 2.0 ! B.5226 at 6.21e-02 assign (resid 77 and name HB# ) (resid 78 and name HN ) 3.0 1.2 1.4 ! B.5228 at 4.52e-01 assign (resid 77 and name HA ) (resid 78 and name HA ) 4.0 2.2 1.0 ! A.353 at 1.24e+06 assign (resid 77 and name HG# ) (resid 78 and name HB# ) 3.0 1.2 2.3 ! A.2098 at 4.00e+06 ! D78 assign (resid 78 and name HN ) (resid 79 and name HN ) 4.0 2.2 1.0 ! B.515 at 1.20e-01 assign (resid 78 and name HA ) (resid 79 and name HN ) 4.0 2.2 1.0 ! B.5489 at 1.22e-01 assign (resid 78 and name HB# ) (resid 79 and name HN ) 5.0 3.2 2.0 ! B.4156 at 1.84e-02 assign (resid 78 and name HN ) (resid 79 and name HG2# ) 4.0 2.2 2.0 ! B.4153 at 1.01e-01 assign (resid 78 and name HN ) (resid 79 and name HB ) 4.0 2.2 1.0 ! B.5227 at 4.84e-01 assign (resid 78 and name HB# ) (resid 79 and name HB ) 4.0 2.2 2.0 ! A.356 at 1.70e+06 assign (resid 78 and name HA ) (resid 98 and name HB ) 4.0 2.2 1.0 ! A.178 at 2.52e+06 assign (resid 78 and name HA ) (resid 98 and name HA ) 4.0 2.2 1.0 ! A.465 at 2.63e+06 assign (resid 78 and name HA ) (resid 98 and name HG2# ) 3.0 1.2 1.3 ! A.525 at -2.02e+06 assign (resid 78 and name HB# ) (resid 99 and name HG# ) 3.0 1.2 2.3 ! A.7028 at 2.03e+06 ! V79 assign (resid 79 and name HN ) (resid 80 and name HN ) 5.0 3.2 1.0 ! B.4154 at 1.60e-02 assign (resid 79 and name HB ) (resid 80 and name HN ) 4.0 2.2 1.0 ! B.4161 at 7.19e-02 assign (resid 79 and name HG2# ) (resid 80 and name HN ) 3.0 1.2 1.5 ! B.1182 at 2.63e-01 assign (resid 79 and name HA ) (resid 80 and name HN ) 2.5 0.7 0.4 ! B.5231 at 4.44e-01 assign (resid 79 and name HB ) (resid 81 and name HE# ) 5.0 3.2 3.4 ! A.1154 at 1.47e+06 assign (resid 79 and name HG1# ) (resid 81 and name HE# ) 4.0 2.2 4.4 ! A.327 at 2.15e+06 assign (resid 79 and name HG1# ) (resid 81 and name HD# ) 4.0 2.2 4.4 ! A.2603 at 2.48e+06 assign (resid 79 and name HG2# ) (resid 81 and name HE# ) 5.0 3.2 4.4 ! A.2399 at -4.55e+05 assign (resid 79 and name HA ) (resid 98 and name HG2# ) 2.5 0.7 1.2 ! A.7480 at 9.25e+06 assign (resid 79 and name HA ) (resid 98 and name HB ) 5.0 3.2 1.0 ! A.2146 at 5.93e+05 assign (resid 79 and name HG1# ) (resid 99 and name HN ) 5.0 3.2 2.0 ! B.451 at 5.23e-02 assign (resid 79 and name HA ) (resid 99 and name HN ) 3.0 1.2 0.5 ! B.434 at 2.70e-01 assign (resid 79 and name HA ) (resid 99 and name HB1 ) 5.0 3.2 1.0 ! A.1472 at 1.03e+06 assign (resid 79 and name HA ) (resid 99 and name HB2 ) 4.0 2.2 1.0 ! A.6789 at 1.44e+06 assign (resid 79 and name HG1# ) (resid 99 and name HB1 ) 4.0 2.2 2.0 ! A.2329 at 9.34e+05 assign (resid 79 and name HG2# ) (resid 99 and name HG# ) 3.0 1.2 2.3 ! A.2043 at 8.15e+06 assign (resid 79 and name HG1# ) (resid 99 and name HB2 ) 3.0 1.2 1.3 ! A.862 at 1.04e+06 assign (resid 79 and name HG2# ) (resid 99 and name HB1 ) 3.0 1.2 1.3 ! A.2338 at 1.33e+06 assign (resid 79 and name HG1# ) (resid 99 and name HG# ) 5.0 3.2 3.0 ! A.2331 at 4.80e+05 assign (resid 79 and name HA ) (resid 99 and name HG# ) 5.0 3.2 2.0 ! A.1706 at 1.41e+06 assign (resid 79 and name HG2# ) (resid 99 and name HA ) 5.0 3.2 2.0 ! A.2042 at 9.72e+05 assign (resid 79 and name HG2# ) (resid 99 and name HD# ) 4.0 2.2 3.0 ! A.2040 at 3.15e+06 assign (resid 79 and name HG1# ) (resid 100 and name HE# ) 4.0 2.2 3.0 ! A.851 at -1.08e+06 assign (resid 79 and name HG2# ) (resid 100 and name HE# ) 4.0 2.2 3.0 ! A.850 at -1.89e+06 !!assign (resid 79 and name HB ) (resid 100 and name HE# ) 5.0 3.2 2.0 ! A.984 at 4.96e+05 assign (resid 79 and name HG1# ) (resid 101 and name HG2# ) 4.0 2.2 3.0 ! A.2325 at 7.80e+05 assign (resid 79 and name HB ) (resid 101 and name HD1# ) 4.0 2.2 2.0 ! A.6424 at 1.54e+06 assign (resid 79 and name HG1# ) (resid 101 and name HB ) 4.0 2.2 2.0 ! A.912 at 3.25e+06 assign (resid 79 and name HG1# ) (resid 101 and name HG1# ) 4.0 2.2 3.0 ! A.1275 at 7.76e+05 assign (resid 79 and name HG2# ) (resid 101 and name HD1# ) 3.0 1.2 2.3 ! A.2343 at -1.83e+06 assign (resid 79 and name HG1# ) (resid 101 and name HD1# ) 2.5 0.7 2.2 ! A.2333 at -5.07e+06 assign (resid 79 and name HA ) (resid 101 and name HD1# ) 3.0 1.2 1.3 ! A.625 at 5.78e+06 assign (resid 79 and name HG2# ) (resid 101 and name HG1# ) 4.0 2.2 3.0 ! A.2051 at 5.04e+06 ! S80 assign (resid 80 and name HA ) (resid 81 and name HN ) 2.5 0.7 0.4 ! B.961 at 3.38e-01 assign (resid 80 and name HB# ) (resid 81 and name HN ) 4.0 2.2 2.0 ! B.4169 at 9.95e-02 assign (resid 80 and name HA ) (resid 81 and name HD# ) 5.0 3.2 3.4 ! A.734 at 9.42e+05 assign (resid 80 and name HB# ) (resid 98 and name HG2# ) 3.0 1.2 2.3 ! A.7482 at 1.54e+06 assign (resid 80 and name HN ) (resid 99 and name HN ) 4.0 2.2 1.0 ! B.432 at 8.55e-02 assign (resid 80 and name HN ) (resid 100 and name HA ) 4.0 2.2 1.0 ! B.1156 at 8.93e-02 assign (resid 80 and name HN ) (resid 101 and name HN ) 5.0 3.2 1.0 ! B.1140 at 4.90e-02 assign (resid 80 and name HN ) (resid 101 and name HB ) 5.0 3.2 1.0 ! B.5234 at 2.87e-02 ! Y81 assign (resid 81 and name HA ) (resid 82 and name HN ) 2.5 0.7 0.4 ! B.794 at 5.83e-01 assign (resid 81 and name HD# ) (resid 82 and name HN ) 5.0 3.2 3.4 ! B.4423 at 6.54e-02 assign (resid 81 and name HN ) (resid 82 and name HN ) 5.0 3.2 1.0 ! B.4163 at 3.76e-02 assign (resid 81 and name HD# ) (resid 82 and name HA ) 5.0 3.2 3.4 ! A.188 at 7.47e+05 assign (resid 81 and name HA ) (resid 82 and name HD# ) 5.0 3.2 3.4 ! A.319 at 1.08e+06 assign (resid 81 and name HA ) (resid 101 and name HN ) 4.0 2.2 1.0 ! B.4274 at 1.05e-01 assign (resid 81 and name HE# ) (resid 101 and name HG2# ) 4.0 2.2 4.4 ! A.325 at 4.01e+06 assign (resid 81 and name HA ) (resid 101 and name HG2# ) 4.0 2.2 2.0 ! A.314 at 4.11e+06 assign (resid 81 and name HD# ) (resid 101 and name HG2# ) 4.0 2.2 4.4 ! A.185 at 3.18e+06 assign (resid 81 and name HE# ) (resid 101 and name HD1# ) 4.0 2.2 3.7 ! A.623 at 1.03e+07 assign (resid 81 and name HD# ) (resid 101 and name HD1# ) 4.0 2.2 4.4 ! A.624 at 3.61e+06 assign (resid 81 and name HA ) (resid 101 and name HB ) 5.0 3.2 1.0 ! A.904 at 1.18e+06 assign (resid 81 and name HB1 ) (resid 101 and name HG2# ) 4.0 2.2 2.0 ! A.814 at 2.96e+06 assign (resid 81 and name HE# ) (resid 101 and name HB ) 5.0 3.2 3.4 ! A.903 at 1.34e+06 assign (resid 81 and name HD# ) (resid 101 and name HB ) 4.0 2.2 3.4 ! A.902 at 2.29e+06 assign (resid 81 and name HB2 ) (resid 102 and name HG2# ) 4.0 2.2 2.0 ! A.57 at 9.67e+05 assign (resid 81 and name HB2 ) (resid 103 and name HD1# ) 5.0 3.2 2.0 ! A.817 at 1.68e+06 assign (resid 81 and name HE# ) (resid 103 and name HD2# ) 3.0 1.2 3.7 ! A.7281 at 1.64e+06 assign (resid 81 and name HD# ) (resid 103 and name HD2# ) 4.0 2.2 4.4 ! A.184 at 2.80e+06 assign (resid 81 and name HD# ) (resid 103 and name HG ) 4.0 2.2 3.4 ! A.183 at 3.45e+06 assign (resid 81 and name HD# ) (resid 103 and name HD1# ) 5.0 3.2 4.4 ! A.186 at 1.49e+06 assign (resid 81 and name HB1 ) (resid 103 and name HD1# ) 5.0 3.2 2.0 ! A.820 at 1.03e+06 assign (resid 81 and name HB2 ) (resid 103 and name HG ) 4.0 2.2 1.0 ! A.1608 at -5.45e+05 ! F82 assign (resid 82 and name HA ) (resid 83 and name HN ) 2.5 0.7 0.4 ! A.7170 at 9.05e+05 assign (resid 82 and name HD# ) (resid 83 and name HN ) 5.0 3.2 3.4 ! B.5663 at 4.71e-02 assign (resid 82 and name HB# ) (resid 83 and name HA ) 4.0 2.2 2.0 ! A.1749 at 1.46e+06 assign (resid 82 and name HD# ) (resid 90 and name HB# ) 4.0 2.2 4.4 ! A.118 at 1.16e+06 assign (resid 82 and name HE# ) (resid 90 and name HB# ) 4.0 2.2 4.4 ! A.55 at 1.16e+06 assign (resid 82 and name HZ ) (resid 91 and name HN ) 5.0 3.2 1.0 ! B.4209 at 2.94e-02 assign (resid 82 and name HZ ) (resid 91 and name HA ) 4.0 2.2 1.0 ! A.413 at 1.98e+06 assign (resid 82 and name HB2 ) (resid 91 and name HD# ) 5.0 3.2 3.4 ! A.712 at 1.04e+06 assign (resid 82 and name HB2 ) (resid 91 and name HE# ) 4.0 2.2 3.4 ! A.80 at 1.72e+06 assign (resid 82 and name HE# ) (resid 91 and name HD# ) 5.0 3.2 5.8 ! A.158 at 1.71e+06 assign (resid 82 and name HE# ) (resid 94 and name HD1# ) 4.0 2.2 4.4 ! A.520 at 2.04e+06 assign (resid 82 and name HE# ) (resid 94 and name HG ) 4.0 2.2 3.4 ! A.234 at 1.96e+06 assign (resid 82 and name HN ) (resid 101 and name HN ) 5.0 3.2 1.0 ! B.4170 at 5.08e-02 assign (resid 82 and name HD# ) (resid 101 and name HN ) 5.0 3.2 3.4 ! B.4272 at 4.45e-02 assign (resid 82 and name HE# ) (resid 101 and name HN ) 4.0 2.2 3.4 ! B.4273 at 1.09e-01 assign (resid 82 and name HN ) (resid 102 and name HA ) 4.0 2.2 1.0 ! B.795 at 1.26e-01 assign (resid 82 and name HB2 ) (resid 102 and name HG2# ) 4.0 2.2 2.0 ! A.7519 at 9.43e+05 ! F83 assign (resid 83 and name HA ) (resid 84 and name HN ) 2.5 0.7 0.4 ! B.375 at 4.78e-01 assign (resid 83 and name HB2 ) (resid 84 and name HN ) 4.0 2.2 1.0 ! B.383 at 1.22e-01 assign (resid 83 and name HB1 ) (resid 84 and name HN ) 5.0 3.2 1.0 ! B.5239 at 5.85e-02 assign (resid 83 and name HD# ) (resid 84 and name HN ) 4.0 2.2 3.4 ! B.5503 at 1.02e-01 assign (resid 83 and name HB# ) (resid 84 and name HB# ) 4.0 2.2 3.0 ! A.3954 at 1.02e+06 !assign (resid 83 and name HB2 ) (resid 85 and name HN ) 5.0 3.2 1.0 ! B.5242 at 5.45e-02 assign (resid 83 and name HB1 ) (resid 85 and name HG# ) 4.0 2.2 2.0 ! A.6562 at 1.30e+06 assign (resid 83 and name HB1 ) (resid 102 and name HG2# ) 4.0 2.2 2.0 ! A.7529 at 1.60e+06 assign (resid 83 and name HA ) (resid 102 and name HG2# ) 2.5 0.7 1.2 ! A.2047 at 2.48e+07 assign (resid 83 and name HA ) (resid 103 and name HN ) 4.0 2.2 1.0 ! B.5261 at 1.24e-01 assign (resid 83 and name HA ) (resid 103 and name HB# ) 4.0 2.2 2.0 ! A.476 at 1.22e+06 assign (resid 83 and name HA ) (resid 103 and name HD1# ) 4.0 2.2 2.0 ! A.2064 at 7.85e+05 assign (resid 83 and name HE# ) (resid 103 and name HD1# ) 4.0 2.2 4.4 ! A.772 at 1.24e+06 assign (resid 83 and name HD# ) (resid 103 and name HD1# ) 4.0 2.2 4.4 ! A.168 at 2.13e+06 assign (resid 83 and name HD# ) (resid 105 and name HD# ) 4.0 2.2 5.8 ! A.72 at 1.81e+06 assign (resid 83 and name HD# ) (resid 105 and name HB2 ) 4.0 2.2 3.4 ! A.869 at 2.24e+06 assign (resid 83 and name HN ) (resid 106 and name HA ) 5.0 3.2 1.0 ! B.3078 at 4.94e-02 assign (resid 83 and name HB# ) (resid 106 and name HB ) 4.0 2.2 2.0 ! A.3474 at 1.15e+06 assign (resid 83 and name HB2 ) (resid 106 and name HA ) 5.0 3.2 1.0 ! A.888 at 1.47e+06 assign (resid 83 and name HB# ) (resid 106 and name HA ) 4.0 2.2 2.0 ! A.4031 at 1.03e+06 assign (resid 83 and name HB1 ) (resid 106 and name HA ) 5.0 3.2 1.0 ! A.891 at 1.38e+06 assign (resid 83 and name HB1 ) (resid 107 and name HN ) 4.0 2.2 1.0 ! B.5272 at -8.96e-02 assign (resid 83 and name HB2 ) (resid 107 and name HN ) 4.0 2.2 1.0 ! B.458 at -1.21e-01 assign (resid 83 and name HE# ) (resid 107 and name HA#) 5.0 3.2 4.4 ! A.482 at 7.35e+05 assign (resid 83 and name HD# ) (resid 107 and name HA# ) 5.0 3.2 4.4 ! A.705 at 8.28e+05 assign (resid 83 and name HE# ) (resid 112 and name HD2# ) 4.0 2.2 4.4 ! A.839 at 5.15e+06 assign (resid 83 and name HD# ) (resid 112 and name HD2# ) 4.0 2.2 4.4 ! A.167 at 2.15e+06 assign (resid 83 and name HD# ) (resid 112 and name HG ) 4.0 2.2 3.4 ! A.707 at 1.37e+06 assign (resid 83 and name HE# ) (resid 112 and name HD1# ) 4.0 2.2 4.4 ! A.771 at 1.28e+06 assign (resid 83 and name HE# ) (resid 112 and name HG ) 4.0 2.2 3.4 ! A.838 at 4.03e+06 assign (resid 83 and name HE# ) (resid 149 and name HD2# ) 4.0 2.2 4.4 ! A.198 at 2.66e+06 assign (resid 83 and name HE# ) (resid 149 and name HD1# ) 3.0 1.2 3.7 ! A.770 at 4.50e+06 assign (resid 83 and name HE# ) (resid 153 and name HD1# ) 4.0 2.2 4.4 ! A.6344 at 1.20e+06 ! K84 assign (resid 84 and name HN ) (resid 85 and name HN ) 5.0 3.2 1.0 ! B.363 at 5.45e-02 assign (resid 84 and name HB2 ) (resid 85 and name HN ) 5.0 3.2 1.0 ! B.5243 at 5.85e-02 !assign (resid 84 and name HG# ) (resid 85 and name HN ) 5.0 3.2 2.0 ! B.3129 at 1.31e-01 assign (resid 84 and name HA ) (resid 85 and name HN ) 2.5 0.7 0.4 ! B.1263 at 8.20e-01 assign (resid 84 and name HD# ) (resid 85 and name HN ) 4.0 2.2 2.0 ! B.5244 at 1.30e-01 assign (resid 84 and name HD# ) (resid 85 and name HG# ) 4.0 2.2 3.0 ! A.1058 at 2.46e+06 assign (resid 84 and name HB1 ) (resid 85 and name HG# ) 5.0 3.2 2.0 ! A.1056 at 1.26e+06 assign (resid 84 and name HG# ) (resid 85 and name HG# ) 4.0 2.2 3.0 ! A.1057 at 3.33e+06 assign (resid 84 and name HG# ) (resid 86 and name HN ) 5.0 3.2 2.0 ! B.4187 at 2.51e-02 assign (resid 84 and name HA ) (resid 88 and name HB# ) 4.0 2.2 2.0 ! A.1404 at 2.23e+06 !assign (resid 84 and name HB1 ) (resid 88 and name HB# ) 5.0 3.2 2.0 ! A.2749 at 9.34e+05 assign (resid 84 and name HA ) (resid 88 and name HG# ) 2.5 0.7 1.2 ! A.2004 at 8.36e+06 assign (resid 84 and name HG# ) (resid 88 and name HG# ) 3.0 1.2 2.3 ! A.2246 at 3.83e+06 assign (resid 84 and name HB2 ) (resid 102 and name HG2# ) 4.0 2.2 2.0 ! A.2625 at 1.84e+06 assign (resid 84 and name HA ) (resid 102 and name HG2# ) 2.5 0.7 1.2 ! A.1498 at 2.27e+06 assign (resid 84 and name HN ) (resid 103 and name HD1# ) 5.0 3.2 2.0 ! B.4177 at 3.77e-02 assign (resid 84 and name HD# ) (resid 104 and name HA ) 3.0 1.2 1.3 ! A.6817 at 2.25e+06 assign (resid 84 and name HN ) (resid 105 and name HN ) 5.0 3.2 1.0 ! B.4174 at 6.70e-02 assign (resid 84 and name HB1 ) (resid 105 and name HN ) 5.0 3.2 1.0 ! B.4295 at 1.61e-02 assign (resid 84 and name HB2 ) (resid 105 and name HN ) 5.0 3.2 1.0 ! B.4293 at 3.04e-02 assign (resid 84 and name HN ) (resid 106 and name HA ) 3.0 1.2 0.5 ! B.372 at 1.64e-01 assign (resid 84 and name HB2 ) (resid 106 and name HG2# ) 4.0 2.2 2.0 ! A.1983 at 9.50e+05 assign (resid 84 and name HB# ) (resid 106 and name HA ) 4.0 2.2 2.0 ! A.3956 at 8.96e+05 assign (resid 84 and name HB1 ) (resid 106 and name HB ) 5.0 3.2 1.0 ! A.1502 at 4.25e+05 assign (resid 84 and name HD# ) (resid 106 and name HG2# ) 3.0 1.2 2.3 ! A.1986 at 1.07e+06 ! E85 assign (resid 85 and name HN ) (resid 86 and name HN ) 3.0 1.2 0.5 ! B.4178 at 2.20e-01 assign (resid 85 and name HA ) (resid 86 and name HN ) 3.0 1.2 0.5 ! B.5245 at 1.58e-01 assign (resid 85 and name HB2 ) (resid 86 and name HN ) 5.0 3.2 1.0 ! B.4186 at 4.40e-02 assign (resid 85 and name HB1 ) (resid 86 and name HN ) 5.0 3.2 1.0 ! B.4185 at 1.69e-02 assign (resid 85 and name HA ) (resid 88 and name HG# ) 4.0 2.2 2.0 ! A.1670 at 2.32e+06 assign (resid 85 and name HN ) (resid 106 and name HG2# ) 5.0 3.2 2.0 ! B.4181 at 4.18e-02 assign (resid 85 and name HG# ) (resid 106 and name HG2# ) 4.0 2.2 3.0 ! A.1055 at 4.45e+06 assign (resid 85 and name HA ) (resid 106 and name HG2# ) 4.0 2.2 2.0 ! A.6982 at 1.18e+06 assign (resid 85 and name HB2 ) (resid 106 and name HG2# ) 4.0 2.2 2.0 ! A.709 at 1.97e+06 assign (resid 85 and name HB1 ) (resid 106 and name HG2# ) 5.0 3.2 2.0 ! A.710 at 1.80e+06 assign (resid 85 and name HG# ) (resid 106 and name HB ) 4.0 2.2 2.0 ! A.846 at 1.98e+06 ! S86 !assign (resid 86 and name HN ) (resid 87 and name HD# ) 5.0 3.2 2.0 ! B.3174 at 1.31e-02 assign (resid 86 and name HA ) (resid 87 and name HD# ) 5.0 3.2 2.0 ! A.782 at -7.64e+05 assign (resid 86 and name HB2 ) (resid 87 and name HD# ) 5.0 3.2 2.0 ! A.1348 at 1.64e+06 assign (resid 86 and name HB1 ) (resid 87 and name HD# ) 5.0 3.2 2.0 ! A.1017 at -3.92e+05 assign (resid 86 and name HA ) (resid 88 and name HG# ) 5.0 3.2 2.0 ! A.1720 at 1.35e+06 assign (resid 86 and name HA ) (resid 88 and name HD# ) 2.5 0.7 1.2 ! A.2111 at 1.11e+07 ! P87 assign (resid 87 and name HB# ) (resid 88 and name HA ) 4.0 2.2 2.0 ! A.5568 at 9.41e+05 assign (resid 87 and name HA ) (resid 88 and name HD# ) 4.0 2.2 2.0 ! A.2253 at -8.98e+05 assign (resid 87 and name HB# ) (resid 88 and name HD# ) 4.0 2.2 3.0 ! A.1415 at 1.94e+06 assign (resid 87 and name HD# ) (resid 88 and name HG# ) 5.0 3.2 3.0 ! A.1651 at 1.03e+06 assign (resid 87 and name HD# ) (resid 88 and name HD# ) 5.0 3.2 3.0 ! A.2112 at 1.31e+06 assign (resid 87 and name HG# ) (resid 88 and name HA ) 4.0 2.2 2.0 ! A.1145 at 7.45e+06 assign (resid 87 and name HG# ) (resid 88 and name HD# ) 5.0 3.2 3.0 ! A.2114 at 1.49e+06 assign (resid 87 and name HA ) (resid 89 and name HN ) 5.0 3.2 1.0 ! B.4191 at 2.75e-02 assign (resid 87 and name HB# ) (resid 89 and name HN ) 5.0 3.2 2.0 ! B.4194 at 4.63e-02 assign (resid 87 and name HG# ) (resid 90 and name HN ) 5.0 3.2 2.0 ! B.4204 at 5.01e-02 assign (resid 87 and name HB# ) (resid 90 and name HB# ) 5.0 3.2 3.0 ! A.2223 at 1.38e+06 assign (resid 87 and name HB# ) (resid 91 and name HE# ) 4.0 2.2 4.4 ! A.836 at 1.57e+06 assign (resid 87 and name HB# ) (resid 94 and name HD1# ) 4.0 2.2 3.0 ! A.1157 at 1.17e+06 assign (resid 87 and name HB# ) (resid 102 and name HG2# ) 3.0 1.2 2.3 ! A.6761 at 1.64e+06 ! P88 assign (resid 88 and name HG# ) (resid 89 and name HN ) 3.0 1.2 1.5 ! B.5251 at 1.54e-01 assign (resid 88 and name HD# ) (resid 89 and name HN ) 4.0 2.2 2.0 ! B.4193 at 9.49e-02 assign (resid 88 and name HA ) (resid 89 and name HN ) 5.0 3.2 1.0 ! B.5248 at 3.26e-02 assign (resid 88 and name HA ) (resid 90 and name HN ) 5.0 3.2 1.0 ! B.5247 at 2.56e-02 assign (resid 88 and name HA ) (resid 91 and name HN ) 5.0 3.2 1.0 ! B.4372 at 3.69e-02 assign (resid 88 and name HA ) (resid 91 and name HD# ) 4.0 2.2 3.4 ! A.160 at 4.27e+06 assign (resid 88 and name HA ) (resid 91 and name HE# ) 4.0 2.2 3.4 ! A.418 at 1.51e+06 assign (resid 88 and name HA ) (resid 92 and name HN ) 5.0 3.2 1.0 ! A.118 at 1.31e+06 ! E89 assign (resid 89 and name HA ) (resid 90 and name HN ) 5.0 3.2 1.0 ! B.752 at 4.67e-02 assign (resid 89 and name HB# ) (resid 90 and name HN ) 5.0 3.2 2.0 ! B.4205 at 4.11e-02 assign (resid 89 and name HN ) (resid 90 and name HB# ) 5.0 3.2 2.0 ! B.5246 at 2.91e-02 assign (resid 89 and name HN ) (resid 90 and name HN ) 2.5 0.7 0.4 ! B.4190 at 1.26e-01 assign (resid 89 and name HN ) (resid 91 and name HN ) 5.0 3.2 1.0 ! B.3166 at 2.00e-02 assign (resid 89 and name HA ) (resid 91 and name HE# ) 4.0 2.2 3.4 ! A.100 at 2.62e+06 assign (resid 89 and name HA ) (resid 92 and name HN ) 4.0 2.2 1.0 ! B.1792 at 7.45e-02 assign (resid 89 and name HA ) (resid 92 and name HB1 ) 4.0 4.2 1.0 ! A.262 at -8.24e+05 assign (resid 89 and name HA ) (resid 93 and name HN ) 5.0 3.2 1.0 ! B.1344 at 6.05e-02 ! A90 assign (resid 90 and name HN ) (resid 91 and name HB# ) 5.0 3.2 2.0 ! B.4203 at 5.81e-02 assign (resid 90 and name HN ) (resid 91 and name HN ) 2.5 0.7 0.4 ! B.748 at 1.81e-01 assign (resid 90 and name HN ) (resid 91 and name HD# ) 5.0 3.2 3.4 ! B.4370 at 2.75e-02 assign (resid 90 and name HB# ) (resid 91 and name HN ) 3.0 1.2 1.5 ! B.4213 at 1.90e-01 assign (resid 90 and name HA ) (resid 91 and name HN ) 5.0 3.2 1.0 ! B.1794 at 5.98e-02 assign (resid 90 and name HN ) (resid 91 and name HD1 ) 5.0 3.2 1.0 ! B.4370 at 2.75e-02 assign (resid 90 and name HB# ) (resid 91 and name HA ) 4.0 2.2 2.0 ! A.411 at 2.34e+06 assign (resid 90 and name HB# ) (resid 91 and name HE# ) 5.0 3.2 4.4 ! A.281 at 1.48e+06 assign (resid 90 and name HN ) (resid 92 and name HN ) 5.0 3.2 1.0 ! B.746 at 3.09e-02 assign (resid 90 and name HB# ) (resid 92 and name HN ) 5.0 3.2 2.0 ! B.4218 at 3.10e-02 assign (resid 90 and name HA ) (resid 92 and name HN ) 5.0 3.2 1.0 ! B.3343 at 2.19e-02 assign (resid 90 and name HA ) (resid 93 and name HN ) 4.0 2.2 1.0 ! B.1443 at 4.79e-02 assign (resid 90 and name HA ) (resid 93 and name HG2# ) 4.0 2.2 2.0 ! A.405 at 3.22e+06 assign (resid 90 and name HA ) (resid 93 and name HD1# ) 5.0 3.2 2.0 ! A.1660 at -4.69e+05 assign (resid 90 and name HA ) (resid 93 and name HB ) 4.0 3.2 1.0 ! A.834 at 1.27e+06 assign (resid 90 and name HN ) (resid 94 and name HN ) 5.0 3.2 1.0 ! B.746 at 3.09e-02 assign (resid 90 and name HA ) (resid 94 and name HN ) 5.0 3.2 1.0 ! A.512 at 1.26e+06 assign (resid 90 and name HB# ) (resid 94 and name HD1# ) 4.0 2.2 2.3 ! A.526 at 8.38e+06 assign (resid 90 and name HA ) (resid 94 and name HG ) 4.0 2.2 1.0 ! A.1852 at 2.32e+06 assign (resid 90 and name HA ) (resid 94 and name HD1# ) 4.0 2.2 2.0 ! A.523 at 2.56e+06 assign (resid 90 and name HB# ) (resid 94 and name HD2# ) 4.0 2.2 3.0 ! A.2207 at 4.84e+06 ! Y91 assign (resid 91 and name HN ) (resid 92 and name HN ) 2.5 0.7 0.4 ! B.4208 at 1.64e-01 assign (resid 91 and name HN ) (resid 92 and name HA ) 5.0 3.2 1.0 ! B.3328 at 2.77e-02 assign (resid 91 and name HD# ) (resid 92 and name HN ) 5.0 3.2 3.4 ! B.1788 at 3.54e-02 assign (resid 91 and name HB1 ) (resid 92 and name HN ) 4.0 2.2 1.0 ! B.5730 at 8.85e-02 assign (resid 91 and name HA ) (resid 92 and name HN ) 5.0 3.2 1.0 ! B.1818 at 5.19e-02 assign (resid 91 and name HN ) (resid 93 and name HN ) 5.0 3.2 1.0 ! B.3331 at 3.12e-02 assign (resid 91 and name HN ) (resid 94 and name HG ) 5.0 3.2 1.0 ! B.4214 at 2.34e-02 assign (resid 91 and name HA ) (resid 94 and name HN ) 4.0 2.2 1.0 ! B.3114 at 1.54e-02 assign (resid 91 and name HD# ) (resid 96 and name HD# ) 4.0 2.2 4.4 ! A.726 at 1.62e+06 assign (resid 91 and name HD# ) (resid 100 and name HB2 ) 4.0 2.2 3.4 ! A.23 at 3.18e+06 assign (resid 91 and name HE# ) (resid 100 and name HB2 ) 4.0 2.2 3.4 ! A.838 at 1.47e+06 assign (resid 91 and name HE# ) (resid 102 and name HB ) 4.0 2.2 3.4 ! A.837 at 1.31e+06 ! N92 assign (resid 92 and name HB# ) (resid 93 and name HN ) 4.0 2.2 2.0 ! B.4222 at 1.26e-01 assign (resid 92 and name HA ) (resid 93 and name HN ) 5.0 3.2 1.0 ! B.1439 at 4.88e-02 assign (resid 92 and name HN ) (resid 93 and name HN ) 2.5 0.7 0.4 ! B.3332 at 1.87e-01 !assign (resid 92 and name HN ) (resid 93 and name HA ) 5.0 3.2 1.0 ! B.3344 at 2.29e-02 assign (resid 92 and name HB1 ) (resid 93 and name HN ) 4.0 2.2 1.0 ! B.4222 at 1.26e-01 assign (resid 92 and name HB1 ) (resid 93 and name HG1# ) 4.0 2.2 2.0 ! A.6913 at 1.08e+06 assign (resid 92 and name HB# ) (resid 93 and name HG1# ) 4.0 2.2 3.0 ! A.1950 at 1.33e+06 assign (resid 92 and name HA ) (resid 94 and name HN ) 5.0 3.2 1.0 ! B.1439 at 4.88e-02 ! I93 assign (resid 93 and name HG2# ) (resid 94 and name HN ) 2.5 0.7 1.4 ! B.1212 at 2.61e-01 assign (resid 93 and name HA ) (resid 94 and name HN ) 5.0 3.2 1.0 ! B.1199 at 6.35e-02 assign (resid 93 and name HN ) (resid 94 and name HN ) 2.5 0.7 0.4 ! B.4226 at 2.05e-01 assign (resid 93 and name HB ) (resid 94 and name HN ) 4.0 2.2 1.0 ! B.4228 at 1.39e-01 assign (resid 93 and name HG1# ) (resid 94 and name HN ) 5.0 3.2 2.0 ! B.4229 at 2.91e-02 assign (resid 93 and name HG2# ) (resid 94 and name HD2# ) 2.5 0.7 2.2 ! A.6279 at 7.52e+06 assign (resid 93 and name HG2# ) (resid 94 and name HD1# ) 5.0 3.2 3.0 ! A.435 at 4.63e+05 assign (resid 93 and name HG2# ) (resid 94 and name HA ) 4.0 2.2 2.0 ! A.2828 at 5.07e+05 assign (resid 93 and name HD1# ) (resid 94 and name HD2# ) 4.0 2.2 3.0 ! A.449 at -7.48e+05 assign (resid 93 and name HB ) (resid 94 and name HD1# ) 5.0 3.2 2.0 ! A.831 at 1.02e+06 assign (resid 93 and name HA ) (resid 96 and name HE# ) 3.0 1.2 1.3 ! A.512 at -1.54e+06 ! L94 assign (resid 94 and name HB# ) (resid 95 and name HN ) 5.0 3.2 2.0 ! B.4238 at 5.34e-02 !!!assign (resid 94 and name HG ) (resid 95 and name HN ) 5.0 3.2 1.0 ! B.1613 at 4.96e-02 assign (resid 94 and name HA ) (resid 95 and name HN ) 3.0 1.2 0.5 ! B.1611 at 3.75e-01 assign (resid 94 and name HD1# ) (resid 95 and name HN ) 4.0 2.2 2.0 ! B.1615 at 1.01e-01 assign (resid 94 and name HD2# ) (resid 95 and name HN ) 4.0 2.2 2.0 ! B.1615 at 1.01e-01 assign (resid 94 and name HN ) (resid 95 and name HN ) 5.0 3.2 1.0 ! B.4232 at 2.92e-02 assign (resid 94 and name HG ) (resid 95 and name HD# ) 4.0 2.2 2.7 ! A.7 at 5.40e+06 assign (resid 94 and name HA ) (resid 95 and name HA ) 4.0 2.2 1.0 ! A.425 at 1.51e+06 assign (resid 94 and name HA ) (resid 96 and name HN ) 5.0 3.2 1.0 ! B.4246 at 2.29e-02 ! F95 assign (resid 95 and name HA ) (resid 96 and name HN ) 4.0 2.2 1.0 ! B.4242 at 1.23e-01 assign (resid 95 and name HN ) (resid 96 and name HN ) 4.0 2.2 1.0 ! A.228 at 1.19e+06 assign (resid 95 and name HA ) (resid 96 and name HD# ) 4.0 2.2 2.0 ! A.1856 at 2.14e+06 assign (resid 95 and name HB# ) (resid 98 and name HN ) 5.0 3.2 2.0 ! B.2558 at 6.89e-02 assign (resid 95 and name HA ) (resid 98 and name HG2# ) 4.0 2.2 2.0 ! A.2366 at 1.75e+06 ! K96 assign (resid 96 and name HD# ) (resid 96 and name HN ) 3.0 1.2 1.3 ! B.3583 at 4.01e-02 assign (resid 96 and name HB1 ) (resid 96 and name HN ) 4.0 2.2 1.0 ! B.3583 at 4.01e-02 assign (resid 96 and name HB2 ) (resid 96 and name HN ) 2.5 0.7 0.4 ! B.3583 at 4.01e-02 assign (resid 96 and name HA ) (resid 98 and name HN ) 5.0 3.2 1.0 ! B.3583 at 4.01e-02 !assign (resid 96 and name HB1 ) (resid 98 and name HB ) 5.0 3.2 1.0 ! A.1067 at 1.08e+06 ! G97 assign (resid 97 and name HA# ) (resid 98 and name HN ) 4.0 2.2 2.0 ! B.4254 at 3.08e-02 assign (resid 97 and name HA# ) (resid 98 and name HB ) 4.0 2.2 1.0 ! A.774 at 1.57e+06 ! T98 assign (resid 98 and name HB ) (resid 99 and name HN ) 4.0 2.2 1.0 ! B.439 at 2.85e-01 assign (resid 98 and name HA ) (resid 99 and name HN ) 2.5 0.7 0.4 ! B.435 at 4.20e-01 assign (resid 98 and name HG2# ) (resid 99 and name HN ) 4.0 2.2 2.0 ! B.4260 at 1.10e-01 assign (resid 98 and name HN ) (resid 99 and name HN ) 5.0 3.2 1.0 ! B.5716 at 2.04e-02 assign (resid 98 and name HG2# ) (resid 99 and name HB2 ) 3.0 1.2 1.3 ! A.863 at 1.83e+06 ! R99 assign (resid 99 and name HA ) (resid 100 and name HN ) 2.5 0.7 0.4 ! B.4262 at 6.17e-01 assign (resid 99 and name HB2 ) (resid 100 and name HN ) 4.0 2.2 1.0 ! B.4264 at 8.38e-02 assign (resid 99 and name HA ) (resid 100 and name HE# ) 4.0 2.2 2.0 ! A.2121 at -5.92e+05 assign (resid 99 and name HB1 ) (resid 100 and name HD# ) 3.0 1.2 1.3 ! A.6774 at 1.72e+06 assign (resid 99 and name HA ) (resid 100 and name HB1 ) 5.0 3.2 1.0 ! A.1501 at 9.20e+05 assign (resid 99 and name HB1 ) (resid 100 and name HE# ) 4.0 2.2 2.0 ! A.1471 at 2.84e+06 ! K100 assign (resid 100 and name HN ) (resid 101 and name HB ) 5.0 3.2 1.0 ! B.4267 at 4.66e-02 assign (resid 100 and name HN ) (resid 101 and name HN ) 5.0 3.2 1.0 ! B.2723 at 2.44e-02 assign (resid 100 and name HB2 ) (resid 101 and name HN ) 4.0 2.2 1.0 ! B.5258 at 9.94e-02 assign (resid 100 and name HA ) (resid 101 and name HN ) 2.5 0.7 0.4 ! B.4275 at 5.37e-01 assign (resid 100 and name HD# ) (resid 101 and name HN ) 5.0 3.2 2.0 ! B.4277 at 5.48e-02 assign (resid 100 and name HE# ) (resid 101 and name HD1# ) 3.0 1.2 2.3 ! A.626 at 7.01e+06 assign (resid 100 and name HA ) (resid 101 and name HB ) 5.0 3.2 1.0 ! A.905 at 9.83e+05 assign (resid 100 and name HA ) (resid 101 and name HA ) 4.0 2.2 1.0 ! A.1793 at 1.12e+06 ! I101 assign (resid 101 and name HA ) (resid 102 and name HN ) 2.5 0.7 0.4 ! B.5259 at 4.62e-01 assign (resid 101 and name HG2# ) (resid 102 and name HN ) 2.5 0.7 1.4 ! B.237 at 2.35e-01 assign (resid 101 and name HD1# ) (resid 102 and name HN ) 5.0 3.2 2.0 ! B.238 at 3.08e-02 assign (resid 101 and name HG1# ) (resid 102 and name HN ) 5.0 3.2 2.0 ! B.5260 at 3.03e-02 assign (resid 101 and name HN ) (resid 102 and name HN ) 5.0 3.2 1.0 ! B.219 at 2.35e-02 assign (resid 101 and name HG2# ) (resid 102 and name HA ) 4.0 2.2 2.0 ! A.6298 at 1.57e+06 assign (resid 101 and name HG2# ) (resid 102 and name HB ) 5.0 3.2 2.0 ! A.940 at 1.13e+06 !assign (resid 101 and name HD1# ) (resid 103 and name HG ) 5.0 3.2 2.0 ! A.2087 at -4.81e+05 assign (resid 101 and name HG2# ) (resid 103 and name HA ) 5.0 3.2 2.0 ! A.1922 at 1.25e+06 ! T102 assign (resid 102 and name HA ) (resid 103 and name HN ) 2.5 0.7 0.4 ! B.4285 at 6.08e-01 assign (resid 102 and name HG2# ) (resid 103 and name HN ) 2.5 0.7 1.4 ! B.4287 at 3.46e-01 assign (resid 102 and name HN ) (resid 103 and name HN ) 5.0 3.2 1.0 ! A.72 at -5.36e+05 assign (resid 102 and name HG2# ) (resid 103 and name HD1# ) 3.0 1.2 2.3 ! A.7226 at 1.93e+06 assign (resid 102 and name HG2# ) (resid 106 and name HA ) 4.0 2.2 2.0 ! A.1489 at 1.25e+06 ! L103 assign (resid 103 and name HD2# ) (resid 104 and name HD# ) 4.0 2.2 3.0 ! A.1475 at 3.03e+06 assign (resid 103 and name HA ) (resid 104 and name HD# ) 4.0 2.2 2.0 ! A.1924 at 3.08e+06 assign (resid 103 and name HA ) (resid 104 and name HG# ) 5.0 3.2 2.0 ! A.2467 at 7.92e+05 assign (resid 103 and name HD1# ) (resid 104 and name HD# ) 4.0 2.2 3.0 ! A.2167 at 2.43e+06 assign (resid 103 and name HB# ) (resid 104 and name HD# ) 5.0 3.2 3.0 ! A.2165 at 1.13e+06 assign (resid 103 and name HD1# ) (resid 105 and name HN ) 5.0 3.2 2.0 ! B.1697 at 1.62e-02 assign (resid 103 and name HD2# ) (resid 105 and name HN ) 5.0 3.2 2.0 ! B.1691 at 1.69e-02 assign (resid 103 and name HB# ) (resid 105 and name HN ) 5.0 3.2 2.0 ! B.4294 at 5.68e-02 assign (resid 103 and name HD1# ) (resid 105 and name HE# ) 4.0 2.2 4.4 ! A.2065 at -7.96e+05 assign (resid 103 and name HD2# ) (resid 105 and name HE# ) 4.0 2.2 4.4 ! A.1712 at 2.38e+06 assign (resid 103 and name HD1# ) (resid 105 and name HD# ) 4.0 2.2 4.4 ! A.2380 at 1.74e+06 assign (resid 103 and name HB# ) (resid 105 and name HD# ) 5.0 3.2 4.4 ! A.637 at 1.04e+06 assign (resid 103 and name HD2# ) (resid 140 and name HE# ) 4.0 2.2 4.4 ! A.299 at 4.22e+06 assign (resid 103 and name HD1# ) (resid 140 and name HE# ) 4.0 2.2 4.4 ! A.2001 at 5.06e+06 assign (resid 103 and name HD2# ) (resid 145 and name HB# ) 3.0 1.2 2.3 ! A.5702 at 2.48e+06 assign (resid 103 and name HD1# ) (resid 149 and name HD1# ) 4.0 2.2 3.0 ! A.2062 at 8.92e+05 ! P104 assign (resid 104 and name HG# ) (resid 105 and name HN ) 5.0 3.2 2.0 ! B.1687 at 1.40e-02 assign (resid 104 and name HD# ) (resid 105 and name HN ) 5.0 3.2 2.0 ! A.2162 at 1.43e+06 assign (resid 104 and name HA ) (resid 105 and name HN ) 5.0 3.2 1.0 ! B.1679 at 5.10e-02 assign (resid 104 and name HD# ) (resid 105 and name HE# ) 4.0 2.2 4.4 ! A.75 at 1.63e+06 assign (resid 104 and name HB# ) (resid 105 and name HD# ) 5.0 3.2 4.4 ! A.64 at 9.04e+05 assign (resid 104 and name HG# ) (resid 105 and name HD# ) 5.0 3.2 4.4 ! A.63 at 1.75e+06 assign (resid 104 and name HG# ) (resid 105 and name HE# ) 5.0 3.2 4.4 ! A.842 at 1.01e+06 assign (resid 104 and name HD# ) (resid 105 and name HD# ) 4.0 2.2 4.4 ! A.2702 at 1.24e+06 ! Y105 assign (resid 105 and name HN ) (resid 106 and name HN ) 5.0 3.2 1.0 ! B.3282 at 1.12e-02 assign (resid 105 and name HD# ) (resid 106 and name HN ) 5.0 3.2 3.4 ! A.73 at 1.04e+06 assign (resid 105 and name HA ) (resid 106 and name HN ) 2.5 0.7 0.4 ! A.364 at 6.29e+06 assign (resid 105 and name HB1 ) (resid 106 and name HN ) 3.0 1.2 0.5 ! B.4298 at 1.87e-01 assign (resid 105 and name HA ) (resid 106 and name HG2# ) 5.0 3.2 2.0 ! A.2055 at 1.69e+06 assign (resid 105 and name HD# ) (resid 111 and name HN ) 5.0 3.2 3.4 ! B.1183 at 3.01e-02 assign (resid 105 and name HB# ) (resid 111 and name HB# ) 3.0 1.2 2.3 ! A.3489 at 2.61e+06 assign (resid 105 and name HA ) (resid 111 and name HB# ) 4.0 2.2 2.0 ! A.2464 at 1.88e+06 assign (resid 105 and name HA ) (resid 111 and name HB1 ) 5.0 3.2 1.0 ! A.368 at 1.42e+06 assign (resid 105 and name HD# ) (resid 111 and name HA ) 5.0 3.2 3.4 ! A.634 at 1.07e+06 assign (resid 105 and name HB1 ) (resid 111 and name HB1) 4.0 2.2 1.0 ! A.2021 at 5.61e+05 assign (resid 105 and name HD# ) (resid 112 and name HG ) 4.0 2.2 3.4 ! A.62 at 3.23e+06 assign (resid 105 and name HE# ) (resid 112 and name HD2# ) 4.0 2.2 4.4 ! A.1328 at -5.98e+05 assign (resid 105 and name HD# ) (resid 112 and name HD2# ) 4.0 2.2 4.4 ! A.61 at 2.25e+06 assign (resid 105 and name HE# ) (resid 112 and name HG ) 4.0 2.2 3.4 ! A.1571 at -6.21e+05 assign (resid 105 and name HD# ) (resid 114 and name HB ) 5.0 3.2 3.4 ! A.4 at 1.18e+06 assign (resid 105 and name HE# ) (resid 115 and name HB# ) 3.0 1.2 3.7 ! A.286 at 5.80e+06 assign (resid 105 and name HD# ) (resid 115 and name HB# ) 3.0 1.2 3.7 ! A.2047 at 1.04e+06 assign (resid 105 and name HE# ) (resid 142 and name HB# ) 4.0 2.2 4.4 ! A.6243 at 2.07e+06 ! T106 assign (resid 106 and name HG2# ) (resid 107 and name HN ) 4.0 2.2 2.0 ! B.4303 at -1.18e-01 assign (resid 106 and name HA ) (resid 107 and name HN ) 2.5 0.7 0.4 ! B.4300 at -3.58e-01 assign (resid 106 and name HB ) (resid 107 and name HN ) 2.5 0.7 0.4 ! B.4301 at -4.92e-01 !assign (resid 106 and name HG2# ) (resid 108 and name HN ) 5.0 3.2 2.0 ! B.5276 at 2.07e-02 assign (resid 106 and name HA ) (resid 108 and name HN ) 5.0 3.2 1.0 ! B.1512 at 1.92e-02 !assign (resid 106 and name HB ) (resid 108 and name HN ) 5.0 5.2 1.0 ! B.5273 at 1.54e-01 assign (resid 106 and name HN ) (resid 111 and name HB# ) 3.0 1.2 1.5 ! B.2223 at 1.24e-01 assign (resid 106 and name HA ) (resid 111 and name HB# ) 4.0 2.2 2.0 ! A.3512 at 9.54e+05 assign (resid 106 and name HG2# ) (resid 111 and name HB1 ) 4.0 2.2 2.0 ! A.1969 at -7.44e+05 assign (resid 106 and name HG2# ) (resid 111 and name HB# ) 5.0 3.2 3.0 ! A.879 at 1.49e+06 ! G107 assign (resid 107 and name HN ) (resid 108 and name HN ) 3.0 1.2 0.5 ! B.4299 at -1.72e-01 assign (resid 107 and name HA# ) (resid 108 and name HN ) 3.0 1.2 1.5 ! A.567 at 1.50e+06 assign (resid 107 and name HA# ) (resid 112 and name HD1# ) 5.0 3.2 3.0 ! A.566 at 8.99e+05 assign (resid 107 and name HA# ) (resid 112 and name HD2# ) 5.0 3.2 3.0 ! A.481 at 7.93e+05 ! N108 assign (resid 108 and name HB1 ) (resid 109 and name HN ) 3.0 1.2 0.5 ! B.2963 at 2.13e-01 assign (resid 108 and name HB2 ) (resid 109 and name HN ) 4.0 2.2 1.0 ! B.2964 at 2.14e-01 assign (resid 108 and name HA ) (resid 109 and name HN ) 4.0 2.2 1.0 ! B.4308 at 5.88e-01 assign (resid 108 and name HN ) (resid 109 and name HN ) 5.0 3.2 1.0 ! B.4305 at 2.74e-02 assign (resid 108 and name HB1 ) (resid 110 and name HN ) 5.0 3.2 1.0 ! B.5279 at 6.20e-02 assign (resid 108 and name HB2 ) (resid 110 and name HN ) 5.0 3.2 1.0 ! B.3037 at 5.56e-02 assign (resid 108 and name HN ) (resid 112 and name HD1# ) 4.0 2.2 2.0 ! A.7076 at 2.81e+06 assign (resid 108 and name HA ) (resid 112 and name HD2# ) 4.0 2.2 2.0 ! A.488 at 3.42e+06 ! Y109 assign (resid 109 and name HN ) (resid 110 and name HN ) 3.0 1.2 0.5 ! B.820 at 1.11e-01 assign (resid 109 and name HA ) (resid 110 and name HN ) 4.0 2.2 1.0 ! B.5556 at 9.45e-02 assign (resid 109 and name HB# ) (resid 110 and name HN ) 3.0 1.2 1.5 ! B.5556 at 9.45e-02 assign (resid 109 and name HD# ) (resid 110 and name HN ) 5.0 3.2 3.4 ! B.1009 at 2.06e-02 assign (resid 109 and name HN ) (resid 111 and name HN ) 5.0 3.2 1.0 ! B.4307 at 3.18e-02 assign (resid 109 and name HA ) (resid 112 and name HD1# ) 4.0 2.2 2.0 ! A.1519 at 1.77e+06 assign (resid 109 and name HA ) (resid 112 and name HB# ) 5.0 3.2 2.0 ! A.1289 at 1.39e+06 assign (resid 109 and name HD# ) (resid 112 and name HD1# ) 4.0 2.2 4.4 ! A.190 at 1.87e+06 assign (resid 109 and name HE# ) (resid 112 and name HD1# ) 5.0 3.2 4.4 ! A.1723 at 8.33e+05 assign (resid 109 and name HD# ) (resid 150 and name HD1# ) 4.0 2.2 4.4 ! A.738 at 2.19e+06 assign (resid 109 and name HE# ) (resid 150 and name HD2# ) 3.0 1.2 3.7 ! A.288 at 6.00e+06 assign (resid 109 and name HD# ) (resid 150 and name HD2# ) 4.0 2.2 4.4 ! A.835 at -8.19e+05 assign (resid 109 and name HE# ) (resid 150 and name HA ) 4.0 2.2 3.4 ! A.841 at 1.98e+06 assign (resid 109 and name HE# ) (resid 153 and name HG2# ) 5.0 3.2 4.4 ! A.2668 at -4.62e+05 assign (resid 109 and name HE# ) (resid 153 and name HD1# ) 5.0 3.2 4.4 ! A.289 at 1.08e+06 assign (resid 109 and name HD# ) (resid 153 and name HG2# ) 3.0 1.2 3.7 ! A.798 at 6.92e+06 ! E110 assign (resid 110 and name HN ) (resid 111 and name HN ) 4.0 2.2 1.0 ! B.1008 at 1.10e-01 assign (resid 110 and name HG# ) (resid 111 and name HN ) 5.0 3.2 2.0 ! B.4313 at 5.13e-02 assign (resid 110 and name HA ) (resid 111 and name HN ) 5.0 3.2 1.0 ! B.4312 at 6.47e-02 assign (resid 110 and name HB1 ) (resid 111 and name HA ) 4.0 2.2 1.0 ! A.1818 at 3.09e+06 assign (resid 110 and name HA ) (resid 113 and name HB# ) 4.0 2.2 2.0 ! A.1500 at 5.21e+06 assign (resid 110 and name HG# ) (resid 113 and name HB# ) 2.5 0.7 2.2 ! A.1206 at -2.91e+06 assign (resid 110 and name HB1 ) (resid 114 and name HB ) 5.0 3.2 1.0 ! A.6527 at 1.03e+06 ! N111 assign (resid 111 and name HA ) (resid 112 and name HN ) 4.0 2.2 1.0 ! B.4318 at 7.02e-02 assign (resid 111 and name HN ) (resid 112 and name HN ) 2.5 0.7 0.4 ! B.4316 at 2.75e-01 assign (resid 111 and name HB# ) (resid 112 and name HN ) 3.0 1.2 1.5 ! B.4321 at 2.59e-01 assign (resid 111 and name HB# ) (resid 112 and name HB# ) 5.0 3.2 3.0 ! A.880 at 1.00e+06 assign (resid 111 and name HN ) (resid 113 and name HN ) 5.0 3.2 1.0 ! B.5656 at 6.39e-02 assign (resid 111 and name HA ) (resid 114 and name HN ) 5.0 3.2 1.0 ! B.3659 at 4.81e-02 assign (resid 111 and name HA ) (resid 114 and name HB ) 3.0 1.2 0.3 ! A.1965 at 1.43e+06 assign (resid 111 and name HA ) (resid 114 and name HG2# ) 4.0 2.2 2.0 ! A.1977 at 8.75e+05 assign (resid 111 and name HA ) (resid 115 and name HN ) 5.0 3.2 1.0 ! B.2788 at 5.53e-02 ! L112 assign (resid 112 and name HN ) (resid 113 and name HN ) 3.0 1.2 0.5 ! B.4315 at 1.92e-01 assign (resid 112 and name HB# ) (resid 113 and name HN ) 4.0 2.2 2.0 ! B.4330 at 1.02e-01 assign (resid 112 and name HG ) (resid 113 and name HN ) 5.0 3.2 1.0 ! B.4331 at 6.42e-02 assign (resid 112 and name HD1# ) (resid 113 and name HN ) 4.0 2.2 2.0 ! B.4332 at 9.61e-02 assign (resid 112 and name HA ) (resid 113 and name HN ) 5.0 3.2 1.0 ! B.5282 at 6.53e-02 assign (resid 112 and name HN ) (resid 114 and name HN ) 5.0 3.2 1.0 ! B.3157 at 2.18e-02 assign (resid 112 and name HA ) (resid 115 and name HN ) 4.0 2.2 1.0 ! B.277 at 1.12e-01 assign (resid 112 and name HA ) (resid 115 and name HB# ) 4.0 2.2 2.0 ! A.1141 at 9.56e+05 assign (resid 112 and name HD2# ) (resid 146 and name HA ) 4.0 2.2 2.0 ! A.1041 at 3.43e+06 assign (resid 112 and name HG ) (resid 146 and name HA ) 4.0 2.2 1.0 ! A.1590 at 5.36e+05 assign (resid 112 and name HB# ) (resid 150 and name HD1# ) 4.0 2.2 3.0 ! A.746 at 3.16e+06 assign (resid 112 and name HD2# ) (resid 150 and name HG ) 2.5 0.7 1.2 ! A.1330 at 2.20e+06 assign (resid 112 and name HB# ) (resid 150 and name HG ) 4.0 2.2 2.0 ! A.2010 at -6.52e+05 assign (resid 112 and name HA ) (resid 150 and name HD1# ) 5.0 3.2 2.0 ! A.1666 at 1.56e+06 ! Q113 assign (resid 113 and name HB# ) (resid 114 and name HN ) 4.0 2.2 2.0 ! B.4336 at 8.05e-02 assign (resid 113 and name HA ) (resid 114 and name HN ) 4.0 2.2 1.0 ! B.4335 at 7.53e-02 assign (resid 113 and name HN ) (resid 114 and name HN ) 3.0 1.2 0.5 ! B.1341 at 1.40e-01 assign (resid 113 and name HN ) (resid 115 and name HN ) 5.0 3.2 1.0 ! B.2792 at 4.22e-02 assign (resid 113 and name HA ) (resid 116 and name HB# ) 4.0 2.2 2.0 ! A.1586 at 3.38e+06 assign (resid 113 and name HB# ) (resid 119 and name HA ) 4.0 2.2 2.0 ! A.4122 at 1.09e+06 assign (resid 113 and name HA ) (resid 150 and name HD1# ) 4.0 2.2 2.0 ! A.1582 at 4.28e+06 ! T114 assign (resid 114 and name HG2# ) (resid 115 and name HN ) 2.5 0.7 1.4 ! B.4340 at 2.86e-01 assign (resid 114 and name HA ) (resid 115 and name HN ) 4.0 2.2 1.0 ! B.276 at 1.23e-01 assign (resid 114 and name HB ) (resid 115 and name HN ) 2.5 0.7 0.4 ! B.271 at 3.90e-01 assign (resid 114 and name HN ) (resid 115 and name HN ) 2.5 0.7 0.4 ! B.5546 at 4.65e-01 assign (resid 114 and name HG2# ) (resid 115 and name HB# ) 4.0 2.2 3.0 ! A.1963 at 8.05e+05 assign (resid 114 and name HG2# ) (resid 115 and name HA ) 4.0 2.2 2.0 ! A.2029 at 3.52e+06 assign (resid 114 and name HB ) (resid 115 and name HB# ) 4.0 2.2 2.0 ! A.968 at 5.63e+06 assign (resid 114 and name HN ) (resid 116 and name HN ) 5.0 3.2 1.0 ! B.3156 at 3.37e-02 assign (resid 114 and name HA ) (resid 117 and name HN ) 5.0 3.2 1.0 ! B.2014 at 6.24e-02 assign (resid 114 and name HA ) (resid 117 and name HA ) 4.0 2.2 1.0 ! A.1087 at 2.90e+06 assign (resid 114 and name HG2# ) (resid 117 and name HD2 ) 5.0 3.2 2.0 ! A.814 at 1.03e+06 assign (resid 114 and name HA ) (resid 118 and name HN ) 5.0 3.2 1.0 ! B.3173 at 1.73e-02 ! A115 assign (resid 115 and name HN ) (resid 116 and name HN ) 2.5 0.7 0.4 ! B.259 at 4.19e-01 assign (resid 115 and name HN ) (resid 116 and name HA ) 5.0 3.2 1.0 ! B.2786 at 5.40e-02 assign (resid 115 and name HA ) (resid 116 and name HN ) 4.0 2.2 1.0 ! B.5558 at 1.20e-01 assign (resid 115 and name HB# ) (resid 116 and name HN ) 3.0 1.2 1.5 ! B.4345 at 1.44e-01 assign (resid 115 and name HA ) (resid 117 and name HN ) 5.0 3.2 1.0 ! B.5290 at 3.34e-02 assign (resid 115 and name HA ) (resid 117 and name HD2 ) 5.0 3.2 1.0 ! A.1961 at -4.28e+05 assign (resid 115 and name HB# ) (resid 146 and name HG# ) 2.5 0.7 2.2 ! A.6218 at 6.81e+06 assign (resid 115 and name HB# ) (resid 146 and name HB# ) 4.0 2.2 3.0 ! A.866 at 7.55e+05 ! A116 assign (resid 116 and name HN ) (resid 117 and name HN ) 2.5 0.7 0.4 ! B.4341 at 2.92e-01 assign (resid 116 and name HB# ) (resid 117 and name HN ) 4.0 2.2 2.0 ! B.4348 at 1.03e-01 assign (resid 116 and name HA ) (resid 117 and name HN ) 3.0 1.2 0.5 ! B.5291 at 4.50e-01 assign (resid 116 and name HB# ) (resid 118 and name HN ) 4.0 2.2 2.0 ! B.1394 at 1.26e-01 assign (resid 116 and name HN ) (resid 118 and name HN ) 5.0 3.2 1.0 ! B.4350 at 1.95e-02 assign (resid 116 and name HA ) (resid 118 and name HG# ) 4.0 2.2 2.0 ! A.7211 at 3.52e+06 assign (resid 116 and name HB# ) (resid 118 and name HG# ) 3.0 1.2 2.3 ! A.531 at 1.07e+06 assign (resid 116 and name HB# ) (resid 123 and name HD1# ) 4.0 2.2 3.0 ! A.528 at 8.89e+05 assign (resid 116 and name HA ) (resid 146 and name HG# ) 4.0 2.2 2.0 ! A.1975 at 2.33e+06 assign (resid 116 and name HB# ) (resid 146 and name HB# ) 5.0 3.2 3.0 ! A.1596 at 4.50e+05 assign (resid 116 and name HA ) (resid 146 and name HB# ) 5.0 3.2 2.0 ! A.1599 at -4.75e+05 assign (resid 116 and name HB# ) (resid 147 and name HN ) 4.0 2.2 2.0 ! B.4531 at 8.19e-02 assign (resid 116 and name HA ) (resid 147 and name HN ) 5.0 3.2 1.0 ! B.4528 at 6.76e-02 assign (resid 116 and name HB# ) (resid 147 and name HB# ) 2.5 0.7 2.2 ! A.1053 at 4.52e+06 assign (resid 116 and name HB# ) (resid 147 and name HB1 ) 4.0 2.2 2.0 ! A.1336 at 4.66e+06 assign (resid 116 and name HB# ) (resid 147 and name HB2 ) 4.0 2.2 2.0 ! A.2182 at 3.09e+06 assign (resid 116 and name HB# ) (resid 150 and name HD1# ) 3.0 1.2 2.3 ! A.539 at 1.44e+06 ! H117 assign (resid 117 and name HA ) (resid 118 and name HN ) 4.0 2.2 1.0 ! B.4352 at 1.11e-01 assign (resid 117 and name HN ) (resid 118 and name HN ) 2.5 0.7 0.4 ! A.1028 at 3.78e+06 assign (resid 117 and name HB# ) (resid 118 and name HA ) 5.0 3.2 2.0 ! A.2113 at 8.64e+05 ! K118 assign (resid 118 and name HN ) (resid 119 and name HN ) 5.0 3.2 1.0 ! B.1346 at 3.00e-02 assign (resid 118 and name HB2 ) (resid 119 and name HN ) 4.0 2.2 1.0 ! B.2358 at 1.49e-01 assign (resid 118 and name HA ) (resid 119 and name HN ) 2.5 0.7 0.4 ! B.2341 at 4.37e-01 assign (resid 118 and name HD# ) (resid 119 and name HN ) 3.0 1.2 1.5 ! B.5758 at 1.49e-01 assign (resid 118 and name HA ) (resid 119 and name HG2# ) 5.0 3.2 2.0 ! A.2202 at 1.15e+06 assign (resid 118 and name HA ) (resid 119 and name HG1# ) 3.0 1.2 1.3 ! A.2290 at 4.12e+06 assign (resid 118 and name HB1 ) (resid 119 and name HG1# ) 5.0 3.2 2.0 ! A.1001 at 9.55e+05 assign (resid 118 and name HB# ) (resid 122 and name HB# ) 4.0 2.2 3.0 ! A.3457 at 1.16e+06 assign (resid 118 and name HD# ) (resid 122 and name HB2 ) 5.0 3.2 2.0 ! A.865 at 1.04e+06 assign (resid 118 and name HE# ) (resid 122 and name HA ) 5.0 3.2 2.0 ! A.1878 at 9.00e+05 assign (resid 118 and name HB2 ) (resid 122 and name HB2 ) 5.0 3.2 1.0 ! A.864 at 9.84e+05 assign (resid 118 and name HB1 ) (resid 123 and name HD1# ) 4.0 2.2 2.0 ! A.998 at 2.27e+06 assign (resid 118 and name HB2 ) (resid 123 and name HD1# ) 4.0 2.2 2.0 ! A.997 at 2.93e+06 assign (resid 118 and name HD# ) (resid 123 and name HD1# ) 5.0 3.2 3.0 ! A.1877 at 6.99e+05 assign (resid 118 and name HD# ) (resid 123 and name HA ) 3.0 1.2 1.3 ! A.6824 at 1.75e+06 assign (resid 118 and name HG# ) (resid 123 and name HD1# ) 4.0 2.2 3.0 ! A.304 at 8.19e+05 assign (resid 118 and name HE# ) (resid 123 and name HA ) 5.0 3.2 2.0 ! A.1846 at -4.00e+05 assign (resid 118 and name HG# ) (resid 147 and name HB2 ) 5.0 3.2 2.0 ! A.1339 at 1.36e+06 assign (resid 118 and name HB2 ) (resid 147 and name HB2 ) 5.0 3.2 1.0 ! A.1338 at 1.62e+06 assign (resid 118 and name HB1 ) (resid 150 and name HD1# ) 5.0 3.2 2.0 ! A.1000 at 1.26e+06 assign (resid 118 and name HB2 ) (resid 150 and name HD1# ) 5.0 3.2 2.0 ! A.999 at 1.01e+06 ! I119 assign (resid 119 and name HB ) (resid 120 and name HN ) 2.5 0.7 0.4 ! B.4361 at 3.59e-01 assign (resid 119 and name HA ) (resid 120 and name HN ) 2.5 0.7 0.4 ! B.797 at 4.25e-01 assign (resid 119 and name HG2# ) (resid 120 and name HN ) 4.0 2.2 2.0 ! B.4366 at 1.32e-01 assign (resid 119 and name HN ) (resid 120 and name HN ) 5.0 3.2 1.0 ! A.1125 at 6.62e+05 assign (resid 119 and name HD1# ) (resid 121 and name HN ) 4.0 2.2 2.0 ! B.4384 at 1.19e-01 assign (resid 119 and name HB ) (resid 121 and name HN ) 4.0 2.2 1.0 ! B.4379 at 8.01e-02 assign (resid 119 and name HD1# ) (resid 121 and name HB# ) 4.0 2.2 2.2 ! A.948 at 7.13e+06 assign (resid 119 and name HG2# ) (resid 121 and name HG# ) 3.0 1.2 2.3 ! A.6531 at 1.70e+06 assign (resid 119 and name HD1# ) (resid 121 and name HG# ) 4.0 2.2 3.0 ! A.744 at 1.85e+06 assign (resid 119 and name HG1# ) (resid 121 and name HB# ) 3.0 1.2 2.3 ! A.2286 at 4.78e+06 assign (resid 119 and name HN ) (resid 122 and name HB1 ) 5.0 3.2 1.0 ! B.3505 at 3.18e-02 assign (resid 119 and name HN ) (resid 122 and name HB2 ) 5.0 3.2 1.0 ! B.2356 at 5.11e-02 assign (resid 119 and name HD1# ) (resid 122 and name HB2 ) 4.0 2.2 2.0 ! A.936 at 2.65e+06 ! R120 assign (resid 120 and name HN ) (resid 121 and name HN ) 4.0 2.2 1.0 ! B.4374 at 7.90e-02 assign (resid 120 and name HA ) (resid 123 and name HD1# ) 4.0 2.2 2.0 ! A.1806 at 2.74e+06 assign (resid 120 and name HA ) (resid 123 and name HG1# ) 4.0 2.2 2.0 ! A.1809 at 1.39e+06 assign (resid 120 and name HA ) (resid 123 and name HG2# ) 4.0 2.2 2.0 ! A.1807 at 1.37e+06 assign (resid 120 and name HB# ) (resid 184 and name HD1# ) 3.0 1.2 2.3 ! A.1096 at 4.47e+06 ! E121 assign (resid 121 and name HN ) (resid 122 and name HN ) 4.0 2.2 1.0 ! B.4375 at 1.39e-01 assign (resid 121 and name HB# ) (resid 122 and name HN ) 5.0 3.2 2.0 ! B.4388 at 3.59e-02 assign (resid 121 and name HA ) (resid 122 and name HN ) 5.0 3.2 1.0 ! B.2105 at 5.44e-02 assign (resid 121 and name HN ) (resid 123 and name HN ) 5.0 3.2 1.0 ! B.4376 at 5.50e-02 assign (resid 121 and name HB# ) (resid 178 and name HE# ) 2.5 0.7 2.2 ! A.6807 at 4.59e+06 assign (resid 121 and name HA ) (resid 179 and name HB# ) 4.0 2.2 2.0 ! A.1486 at 2.95e+06 assign (resid 121 and name HA ) (resid 180 and name HA ) 5.0 3.2 1.0 ! A.1450 at 1.16e+06 assign (resid 121 and name HG# ) (resid 181 and name HD1# ) 5.0 3.2 3.0 ! A.1907 at -3.88e+05 assign (resid 121 and name HA ) (resid 181 and name HD1# ) 4.0 2.2 2.0 ! A.1723 at 1.42e+06 assign (resid 121 and name HA ) (resid 181 and name HD2# ) 4.0 2.2 2.0 ! A.1478 at 2.70e+06 assign (resid 121 and name HB# ) (resid 181 and name HD2# ) 4.0 2.2 3.0 ! A.1550 at 2.52e+06 assign (resid 121 and name HB# ) (resid 181 and name HA ) 5.0 3.2 2.0 ! A.1746 at 1.67e+06 assign (resid 121 and name HN ) (resid 184 and name HD1# ) 4.0 2.2 2.0 ! B.4385 at 8.67e-02 assign (resid 121 and name HG# ) (resid 184 and name HG2# ) 3.0 1.2 2.3 ! A.7714 at 1.89e+06 assign (resid 121 and name HG# ) (resid 184 and name HD1# ) 4.0 2.2 3.0 ! A.984 at 1.83e+06 assign (resid 121 and name HA ) (resid 184 and name HD1# ) 4.0 2.2 2.0 ! A.1477 at 2.68e+06 assign (resid 121 and name HG# ) (resid 184 and name HG1# ) 4.0 2.2 3.0 ! A.1622 at 1.99e+06 ! N122 assign (resid 122 and name HN ) (resid 123 and name HN ) 2.5 0.7 0.4 ! B.367 at 2.46e-01 assign (resid 122 and name HA ) (resid 123 and name HN ) 4.0 2.2 1.0 ! B.371 at 8.56e-02 assign (resid 122 and name HB2 ) (resid 123 and name HN ) 5.0 3.2 1.0 ! B.4396 at 3.85e-02 ! I123 assign (resid 123 and name HN ) (resid 124 and name HN ) 5.0 3.2 1.0 ! B.3688 at 4.00e-02 assign (resid 123 and name HD1# ) (resid 124 and name HN ) 5.0 3.2 2.0 ! B.4401 at 2.97e-02 assign (resid 123 and name HA ) (resid 124 and name HN ) 3.0 1.2 0.5 ! A.10 at 7.39e+06 assign (resid 123 and name HG2# ) (resid 124 and name HN ) 3.0 1.2 1.5 ! B.40 at 1.62e-01 assign (resid 123 and name HB ) (resid 124 and name HN ) 5.0 3.2 1.0 ! B.3691 at 2.25e-02 assign (resid 123 and name HG2# ) (resid 125 and name HD2# ) 4.0 2.2 3.0 ! A.1839 at 7.73e+05 assign (resid 123 and name HD1# ) (resid 147 and name HB2 ) 4.0 2.2 2.0 ! A.1334 at 4.06e+06 assign (resid 123 and name HD1# ) (resid 147 and name HB1 ) 4.0 2.2 2.0 ! A.1864 at 6.54e+05 assign (resid 123 and name HD1# ) (resid 150 and name HB1 ) 2.5 0.7 1.2 ! A.6330 at 3.35e+06 assign (resid 123 and name HD1# ) (resid 150 and name HB2 ) 4.0 2.2 2.0 ! A.6328 at 1.43e+06 assign (resid 123 and name HD1# ) (resid 150 and name HD1# ) 3.0 1.2 2.3 ! A.540 at 1.73e+06 assign (resid 123 and name HD1# ) (resid 151 and name HN ) 5.0 3.2 2.0 ! B.4556 at 3.94e-02 assign (resid 123 and name HG2# ) (resid 151 and name HG2# ) 2.5 0.7 2.2 ! A.551 at 3.37e+06 assign (resid 123 and name HG2# ) (resid 151 and name HA ) 5.0 3.2 2.0 ! A.1318 at 9.25e+05 assign (resid 123 and name HB ) (resid 178 and name HA ) 5.0 3.2 1.0 ! A.933 at 3.98e+06 assign (resid 123 and name HG2# ) (resid 179 and name HG# ) 4.0 2.2 3.0 ! A.1346 at 5.80e+05 ! D124 assign (resid 124 and name HN ) (resid 125 and name HN ) 5.0 3.2 1.0 ! B.3689 at 5.20e-02 assign (resid 124 and name HB1 ) (resid 125 and name HN ) 4.0 2.2 1.0 ! B.4407 at 1.24e-01 assign (resid 124 and name HA ) (resid 125 and name HN ) 3.0 1.2 0.5 ! A.15 at 5.85e+06 assign (resid 124 and name HB2 ) (resid 125 and name HN ) 5.0 3.2 1.0 ! B.4406 at 6.50e-02 assign (resid 124 and name HA ) (resid 125 and name HB# ) 5.0 3.2 2.0 ! A.518 at 1.14e+06 assign (resid 124 and name HB2 ) (resid 129 and name HB# ) 5.0 3.2 2.0 ! A.1789 at -3.87e+05 assign (resid 124 and name HB2 ) (resid 151 and name HG2# ) 5.0 3.2 2.0 ! A.772 at 1.33e+06 assign (resid 124 and name HB1 ) (resid 177 and name HN ) 5.0 3.2 1.0 ! B.3223 at 5.52e-02 assign (resid 124 and name HA ) (resid 178 and name HA ) 4.0 2.2 0.2 ! A.2255 at 2.19e+07 ! L125 assign (resid 125 and name HA ) (resid 126 and name HN ) 2.5 0.7 0.4 ! B.4416 at 3.24e-01 assign (resid 125 and name HA ) (resid 129 and name HB# ) 4.0 2.2 2.0 ! A.1818 at -1.00e+06 assign (resid 125 and name HD2# ) (resid 129 and name HB# ) 4.0 2.2 3.0 ! A.1836 at 9.06e+05 assign (resid 125 and name HD2# ) (resid 151 and name HA ) 4.0 2.2 2.0 ! A.492 at 9.64e+05 assign (resid 125 and name HA ) (resid 151 and name HG1# ) 4.0 2.2 2.0 ! A.2665 at 2.84e+06 assign (resid 125 and name HD2# ) (resid 151 and name HG2# ) 4.0 2.2 3.0 ! A.1835 at 1.79e+06 assign (resid 125 and name HD1# ) (resid 151 and name HA ) 5.0 3.2 2.0 ! A.1130 at 8.55e+05 assign (resid 125 and name HG ) (resid 151 and name HA ) 4.0 2.2 1.0 ! A.2171 at 1.56e+06 assign (resid 125 and name HD2# ) (resid 154 and name HB# ) 3.0 1.2 2.3 ! A.2400 at 3.63e+06 assign (resid 125 and name HD1# ) (resid 154 and name HB# ) 3.0 1.2 2.3 ! A.2323 at 5.03e+06 assign (resid 125 and name HA ) (resid 155 and name HG2# ) 4.0 2.2 2.0 ! A.7303 at 2.05e+06 assign (resid 125 and name HD2# ) (resid 155 and name HG2# ) 3.0 1.2 2.3 ! A.1834 at 1.28e+06 assign (resid 125 and name HG ) (resid 155 and name HB ) 4.0 2.2 1.0 ! A.876 at 8.09e+06 assign (resid 125 and name HG ) (resid 172 and name HB# ) 5.0 3.2 2.0 ! A.2172 at 1.05e+06 assign (resid 125 and name HN ) (resid 176 and name HA ) 5.0 3.2 1.0 ! B.4404 at 4.51e-02 assign (resid 125 and name HN ) (resid 176 and name HB# ) 5.0 3.2 2.0 ! B.3178 at 6.31e-02 assign (resid 125 and name HN ) (resid 177 and name HN ) 3.0 1.2 0.5 ! B.4402 at 1.43e-01 assign (resid 125 and name HA ) (resid 177 and name HN ) 4.0 2.2 1.0 ! B.4703 at 7.16e-02 assign (resid 125 and name HB# ) (resid 177 and name HN ) 5.0 3.2 2.0 ! B.5378 at 4.32e-02 assign (resid 125 and name HB# ) (resid 179 and name HD# ) 5.0 3.2 3.0 ! A.2107 at 1.00e+06 assign (resid 125 and name HD1# ) (resid 179 and name HD# ) 4.0 2.2 3.0 ! A.7188 at 1.11e+06 assign (resid 125 and name HD1# ) (resid 179 and name HA ) 4.0 2.2 2.0 ! A.1528 at 1.37e+06 assign (resid 125 and name HD1# ) (resid 179 and name HB# ) 4.0 2.2 3.0 ! A.1369 at 2.17e+06 ! G126 assign (resid 126 and name HA# ) (resid 127 and name HN ) 5.0 3.2 2.0 ! A.578 at 1.34e+06 assign (resid 126 and name HA# ) (resid 127 and name HG ) 4.0 2.2 2.0 ! A.1760 at 2.06e+06 assign (resid 126 and name HA# ) (resid 127 and name HD2# ) 5.0 3.2 3.0 ! A.1930 at 1.70e+06 assign (resid 126 and name HA# ) (resid 128 and name HD# ) 5.0 3.2 3.0 ! A.78 at 9.94e+05 assign (resid 126 and name HN ) (resid 129 and name HB# ) 2.5 0.7 1.4 ! B.4419 at 2.24e-01 assign (resid 126 and name HN ) (resid 129 and name HN ) 5.0 3.2 1.0 ! B.4432 at 3.35e-02 assign (resid 126 and name HA# ) (resid 129 and name HN ) 5.0 3.2 2.0 ! B.5307 at 3.43e-02 assign (resid 126 and name HN ) (resid 130 and name HN ) 5.0 3.2 1.0 ! B.3635 at 1.34e-02 assign (resid 126 and name HN ) (resid 155 and name HB ) 5.0 3.2 1.0 ! B.4415 at 3.69e-02 assign (resid 126 and name HN ) (resid 155 and name HG2# ) 4.0 2.2 2.0 ! A.1999 at 4.79e+06 assign (resid 126 and name HA# ) (resid 155 and name HG2# ) 5.0 3.2 3.0 ! A.2457 at 1.05e+06 assign (resid 126 and name HA# ) (resid 169 and name HG1# ) 5.0 3.2 3.0 ! A.90 at 9.27e+05 assign (resid 126 and name HA# ) (resid 169 and name HG2# ) 5.0 3.2 3.0 ! A.529 at 7.33e+05 assign (resid 126 and name HA# ) (resid 176 and name HA ) 5.0 3.2 2.0 ! A.395 at 1.18e+06 ! L127 assign (resid 127 and name HN ) (resid 128 and name HD# ) 2.5 0.7 1.4 ! B.5306 at 3.14e-01 assign (resid 127 and name HB2 ) (resid 128 and name HD# ) 5.0 3.2 2.0 ! A.1257 at 9.08e+05 assign (resid 127 and name HB1 ) (resid 128 and name HD# ) 4.0 2.2 2.0 ! A.1258 at 1.34e+06 assign (resid 127 and name HG ) (resid 128 and name HD# ) 4.0 2.2 2.0 ! A.1762 at 1.94e+06 assign (resid 127 and name HA ) (resid 130 and name HB# ) 3.0 1.2 1.3 ! A.6828 at 1.76e+06 assign (resid 127 and name HA ) (resid 130 and name HN ) 4.0 2.2 1.0 ! A.6828 at 1.76e+06 assign (resid 127 and name HD2# ) (resid 130 and name HD2# ) 3.0 1.2 2.3 ! A.565 at 1.63e+06 assign (resid 127 and name HD2# ) (resid 130 and name HB# ) 4.0 2.2 3.0 ! A.2449 at 1.73e+06 assign (resid 127 and name HA ) (resid 131 and name HN ) 5.0 3.2 1.0 ! A.5838 at 1.96e-02 assign (resid 127 and name HN ) (resid 169 and name HG1# ) 5.0 3.2 2.0 ! B.4427 at 5.04e-02 assign (resid 127 and name HD1# ) (resid 169 and name HG1# ) 4.0 2.2 3.0 ! A.419 at 6.34e+05 assign (resid 127 and name HD2# ) (resid 169 and name HG1# ) 3.0 1.2 2.3 ! A.1803 at 1.77e+06 assign (resid 127 and name HA ) (resid 169 and name HG1# ) 4.0 2.2 2.0 ! A.2013 at 3.38e+06 assign (resid 127 and name HD1# ) (resid 170 and name HA ) 5.0 3.2 2.0 ! A.1396 at 4.32e+05 assign (resid 127 and name HD2# ) (resid 170 and name HA ) 4.0 2.2 2.0 ! A.2450 at 1.36e+06 assign (resid 127 and name HD2# ) (resid 170 and name HB# ) 5.0 3.2 3.0 ! A.1806 at 3.93e+05 assign (resid 127 and name HB2 ) (resid 170 and name HA ) 5.0 3.2 1.0 ! A.2388 at 1.80e+06 assign (resid 127 and name HG ) (resid 170 and name HA ) 4.0 2.2 1.0 ! A.2390 at 1.78e+06 assign (resid 127 and name HD1# ) (resid 173 and name HN ) 5.0 3.2 2.0 ! B.1178 at 4.58e-02 assign (resid 127 and name HN ) (resid 173 and name HG* ) 5.0 3.2 3.0 ! B.5747 at 3.81e-02 assign (resid 127 and name HB2 ) (resid 173 and name HA ) 5.0 3.2 1.0 ! A.1054 at 1.02e+06 assign (resid 127 and name HD1# ) (resid 173 and name HA ) 4.0 2.2 2.0 ! A.1252 at 4.54e+06 assign (resid 127 and name HD2# ) (resid 173 and name HA ) 4.0 2.2 2.0 ! A.2481 at 5.26e+05 assign (resid 127 and name HG ) (resid 173 and name HA ) 4.0 2.2 1.0 ! A.1249 at 1.93e+06 assign (resid 127 and name HB1 ) (resid 173 and name HA ) 5.0 3.2 1.0 ! A.1017 at 1.13e+06 assign (resid 127 and name HD1# ) (resid 173 and name HB ) 4.0 2.2 2.0 ! A.1383 at 5.90e+05 assign (resid 127 and name HG ) (resid 173 and name HG1# ) 4.0 2.2 2.0 ! A.1814 at 5.41e+05 assign (resid 127 and name HD1# ) (resid 173 and name HG2# ) 2.5 0.7 2.2 ! A.417 at 4.90e+06 assign (resid 127 and name HD2# ) (resid 173 and name HG1# ) 4.0 2.2 3.0 ! A.1804 at 9.73e+05 ! P128 assign (resid 128 and name HB# ) (resid 129 and name HN ) 4.0 2.2 2.0 ! B.4437 at 1.15e-01 assign (resid 128 and name HD# ) (resid 129 and name HN ) 4.0 2.2 2.0 ! B.4435 at 9.33e-02 assign (resid 128 and name HA ) (resid 129 and name HN ) 4.0 2.2 1.0 ! B.5743 at 8.25e-02 assign (resid 128 and name HB# ) (resid 129 and name HA ) 4.0 2.2 2.0 ! A.4080 at 1.18e+06 assign (resid 128 and name HA ) (resid 131 and name HN ) 4.0 2.2 1.0 ! B.4442 at 8.46e-02 assign (resid 128 and name HA ) (resid 131 and name HB# ) 3.0 1.2 1.3 ! A.535 at 1.61e+06 assign (resid 128 and name HA ) (resid 132 and name HN ) 5.0 3.2 1.0 ! B.4450 at 2.37e-02 assign (resid 128 and name HG# ) (resid 173 and name HA ) 5.0 3.2 2.0 ! A.1657 at 1.35e+06 assign (resid 128 and name HD# ) (resid 173 and name HA ) 4.0 2.2 2.0 ! A.1411 at 1.53e+06 assign (resid 128 and name HD# ) (resid 174 and name HA ) 4.0 2.2 2.0 ! A.5789 at 8.42e+05 assign (resid 128 and name HD# ) (resid 175 and name HN ) 5.0 3.2 2.0 ! B.4693 at 2.96e-02 ! A129 assign (resid 129 and name HN ) (resid 130 and name HN ) 5.0 3.2 1.0 ! B.5132 at 5.23e-02 assign (resid 129 and name HA ) (resid 130 and name HN ) 5.0 3.2 1.0 ! B.3636 at 2.32e-02 assign (resid 129 and name HB# ) (resid 130 and name HN ) 4.0 2.2 2.0 ! B.5544 at 1.18e-01 assign (resid 129 and name HA ) (resid 132 and name HN ) 4.0 2.2 1.0 ! B.3636 at 2.32e-02 assign (resid 129 and name HA ) (resid 132 and name HB# ) 4.0 2.2 2.0 ! B.3636 at 2.42e+06 assign (resid 129 and name HB# ) (resid 132 and name HN ) 5.0 3.2 2.0 ! B.2179 at 2.63e-02 assign (resid 129 and name HB# ) (resid 132 and name HB# ) 4.0 2.2 3.0 ! A.155 at 5.68e+05 assign (resid 129 and name HA ) (resid 133 and name HN ) 5.0 3.2 1.0 ! B.3636 at 1.32e-02 assign (resid 129 and name HN ) (resid 151 and name HG1# ) 5.0 3.2 2.0 ! B.2997 at 2.58e-02 assign (resid 129 and name HA ) (resid 151 and name HG1# ) 5.0 3.2 2.0 ! A.591 at 1.32e+06 assign (resid 129 and name HB# ) (resid 151 and name HG1# ) 3.0 1.2 2.3 ! A.1535 at 1.98e+06 assign (resid 129 and name HB# ) (resid 155 and name HG2# ) 4.0 2.2 3.0 ! A.1788 at 5.39e+05 ! L130 assign (resid 130 and name HN ) (resid 131 and name HB# ) 5.0 3.2 2.0 ! B.5309 at 1.17e-02 assign (resid 130 and name HN ) (resid 131 and name HN ) 2.5 0.7 0.4 ! B.5549 at 1.13e+00 assign (resid 130 and name HB# ) (resid 131 and name HN ) 4.0 2.2 2.0 ! B.4444 at 9.41e-02 assign (resid 130 and name HD2# ) (resid 131 and name HN ) 5.0 3.2 2.0 ! B.4446 at 5.44e-02 assign (resid 130 and name HD2# ) (resid 131 and name HA ) 4.0 2.2 2.0 ! A.1777 at 1.16e+06 assign (resid 130 and name HN ) (resid 132 and name HN ) 5.0 3.2 1.0 ! B.5549 at 1.13e-01 assign (resid 130 and name HA ) (resid 133 and name HN ) 3.0 1.2 0.5 ! B.5559 at 1.87e-01 assign (resid 130 and name HD1# ) (resid 133 and name HB# ) 2.5 0.7 2.2 ! A.6250 at 3.14e+06 assign (resid 130 and name HA ) (resid 133 and name HB# ) 4.0 2.2 2.0 ! A.1933 at 5.58e+05 assign (resid 130 and name HD2# ) (resid 133 and name HB# ) 4.0 2.2 3.0 ! A.2216 at 2.36e+06 assign (resid 130 and name HA ) (resid 134 and name HN ) 5.0 3.2 1.5 ! B.5559 at 1.07e-01 assign (resid 130 and name HD1# ) (resid 134 and name HN ) 5.0 3.2 2.0 ! B.5314 at 4.94e-02 assign (resid 130 and name HD2# ) (resid 134 and name HD1# ) 4.0 2.2 3.0 ! A.1920 at 6.18e+05 assign (resid 130 and name HD1# ) (resid 134 and name HD1# ) 4.0 2.2 2.3 ! A.2439 at 1.07e+06 assign (resid 130 and name HD1# ) (resid 134 and name HG2# ) 5.0 3.2 3.0 ! A.1757 at 4.87e+05 assign (resid 130 and name HA ) (resid 134 and name HD1# ) 5.0 3.2 2.0 ! A.1748 at 4.86e+05 assign (resid 130 and name HN ) (resid 151 and name HG1# ) 5.0 3.2 2.0 ! B.5136 at 4.44e-02 assign (resid 130 and name HB# ) (resid 151 and name HG1# ) 4.0 2.2 3.0 ! A.2676 at 2.99e+06 assign (resid 130 and name HA ) (resid 151 and name HG1# ) 5.0 3.2 2.0 ! A.1682 at 1.62e+06 assign (resid 130 and name HA ) (resid 151 and name HG2# ) 4.0 2.2 2.0 ! A.1680 at 3.66e+06 assign (resid 130 and name HA ) (resid 151 and name HB ) 5.0 3.2 1.0 ! A.1684 at 1.80e+06 assign (resid 130 and name HA ) (resid 152 and name HD1# ) 5.0 3.2 2.0 ! A.2291 at 4.93e+05 assign (resid 130 and name HD2# ) (resid 152 and name HD1# ) 3.0 1.2 2.3 ! A.1546 at 1.35e+06 assign (resid 130 and name HD1# ) (resid 152 and name HA ) 4.0 2.2 1.3 ! A.2444 at 1.07e+06 assign (resid 130 and name HN ) (resid 155 and name HG2# ) 5.0 3.2 2.0 ! B.5689 at 1.83e-02 assign (resid 130 and name HD2# ) (resid 155 and name HB ) 5.0 3.2 2.0 ! A.1503 at 4.20e+05 assign (resid 130 and name HA ) (resid 155 and name HG2# ) 4.0 2.2 2.0 ! A.2456 at 1.65e+06 assign (resid 130 and name HD2# ) (resid 155 and name HG2# ) 4.0 2.2 3.0 ! A.569 at 7.46e+05 assign (resid 130 and name HB# ) (resid 155 and name HB ) 5.0 3.2 2.0 ! A.1151 at 1.08e+06 assign (resid 130 and name HD1# ) (resid 155 and name HB ) 4.0 2.2 2.0 ! A.877 at 3.12e+06 ! S131 assign (resid 131 and name HN ) (resid 132 and name HN ) 3.0 1.2 0.5 ! B.5550 at 1.13e+00 assign (resid 131 and name HB# ) (resid 132 and name HN ) 3.0 1.2 1.5 ! B.2170 at 1.41e-01 assign (resid 131 and name HN ) (resid 132 and name HB# ) 5.0 3.2 2.0 ! B.5745 at 2.41e-02 assign (resid 131 and name HB# ) (resid 132 and name HA ) 4.0 2.2 2.0 ! A.1240 at 6.97e+05 assign (resid 131 and name HB# ) (resid 133 and name HN ) 5.0 3.2 2.0 ! B.2683 at 2.76e-02 assign (resid 131 and name HB# ) (resid 134 and name HN ) 5.0 3.2 2.0 ! B.4456 at 5.04e-02 assign (resid 131 and name HA ) (resid 134 and name HN ) 3.0 2.2 1.0 ! B.3457 at 1.04e-01 assign (resid 131 and name HA ) (resid 134 and name HB ) 4.0 2.2 1.0 ! B.3457 at 1.04e-01 assign (resid 131 and name HA ) (resid 135 and name HN ) 5.0 3.2 1.0 ! B.3457 at 4.04e-02 assign (resid 131 and name HB# ) (resid 135 and name HG2# ) 4.0 2.2 3.0 ! A.1960 at 6.10e+06 ! S132 assign (resid 132 and name HN ) (resid 133 and name HN ) 2.5 0.7 0.4 ! B.3707 at 2.56e-01 assign (resid 132 and name HB# ) (resid 133 and name HN ) 4.0 2.2 2.0 ! B.68 at 1.36e-01 assign (resid 132 and name HN ) (resid 133 and name HB# ) 5.0 3.2 2.0 ! B.2176 at 4.08e-02 assign (resid 132 and name HB# ) (resid 133 and name HB# ) 4.0 2.2 3.0 ! A.1934 at 5.32e+05 assign (resid 132 and name HN ) (resid 134 and name HN ) 5.0 3.2 1.0 ! A.2034 at 1.12e-01 assign (resid 132 and name HA ) (resid 135 and name HN ) 4.0 2.2 1.0 ! A.1934 at 1.02e-01 assign (resid 132 and name HA ) (resid 135 and name HB ) 4.0 2.2 1.0 ! A.1835 at 6.02e+05 ! A133 assign (resid 133 and name HA ) (resid 134 and name HN ) 4.0 2.2 1.0 ! B.5671 at 9.63e-02 assign (resid 133 and name HN ) (resid 134 and name HN ) 3.0 1.2 0.5 ! B.4454 at 1.88e-01 assign (resid 133 and name HB# ) (resid 134 and name HN ) 2.5 0.7 1.4 ! B.4458 at 2.11e-01 assign (resid 133 and name HB# ) (resid 134 and name HG1# ) 3.0 1.2 2.3 ! A.2214 at 5.52e+06 assign (resid 133 and name HA ) (resid 136 and name HG2# ) 4.0 2.2 2.0 ! A.1173 at 8.95e+05 assign (resid 133 and name HA ) (resid 136 and name HN ) 4.0 2.2 1.0 ! A.4356 at 8.95e-02 assign (resid 133 and name HA ) (resid 136 and name HB ) 4.0 2.2 1.0 ! A.512 at 3.09e+06 assign (resid 133 and name HB# ) (resid 137 and name HD1# ) 5.0 3.2 3.0 ! A.2213 at 1.06e+06 assign (resid 133 and name HN ) (resid 151 and name HG1# ) 5.0 3.2 2.0 ! B.5627 at 5.66e-02 assign (resid 133 and name HB# ) (resid 151 and name HN ) 5.0 3.2 2.0 ! B.4554 at 6.23e-02 assign (resid 133 and name HB# ) (resid 151 and name HB ) 4.0 2.2 1.3 ! A.67 at 2.26e+06 assign (resid 133 and name HB# ) (resid 151 and name HG1# ) 4.0 2.2 3.0 ! A.2215 at 3.20e+06 assign (resid 133 and name HB# ) (resid 152 and name HN ) 4.0 2.2 2.0 ! B.5336 at 8.81e-02 assign (resid 133 and name HB# ) (resid 152 and name HD1# ) 4.0 2.2 3.0 ! A.1775 at 6.77e+05 ! I134 assign (resid 134 and name HA ) (resid 135 and name HN ) 5.0 3.2 1.0 ! B.1203 at 4.23e-02 assign (resid 134 and name HN ) (resid 135 and name HN ) 3.0 1.2 0.5 ! B.4460 at 1.62e-01 assign (resid 134 and name HB ) (resid 135 and name HN ) 3.0 1.2 0.5 ! B.4462 at 1.40e-01 assign (resid 134 and name HD1# ) (resid 135 and name HN ) 5.0 3.2 2.0 ! B.4465 at 4.26e-02 assign (resid 134 and name HG2# ) (resid 135 and name HN ) 4.0 2.2 2.0 ! A.679 at 2.36e+06 assign (resid 134 and name HN ) (resid 136 and name HN ) 5.0 3.2 1.0 ! B.5460 at 5.62e-02 assign (resid 134 and name HA ) (resid 137 and name HN ) 4.0 2.2 3.0 ! A.1821 at 8.90e-02 assign (resid 134 and name HA ) (resid 137 and name HB# ) 4.0 2.2 2.0 ! A.3696 at 9.14e+05 assign (resid 134 and name HA ) (resid 137 and name HD1# ) 4.0 2.2 2.0 ! A.2309 at 1.61e+06 assign (resid 134 and name HG2# ) (resid 137 and name HB# ) 5.0 3.2 3.0 ! A.2200 at 1.38e+06 assign (resid 134 and name HG1# ) (resid 138 and name HE# ) 4.0 2.2 4.4 ! A.6934 at 9.69e+05 ! T135 assign (resid 135 and name HN ) (resid 136 and name HN ) 3.0 1.2 0.5 ! B.4466 at 1.48e-01 assign (resid 135 and name HA ) (resid 136 and name HN ) 5.0 3.2 1.0 ! B.1364 at 4.14e-02 assign (resid 135 and name HG2# ) (resid 136 and name HN ) 4.0 2.2 2.0 ! B.1373 at 1.05e-01 assign (resid 135 and name HG2# ) (resid 136 and name HB ) 4.0 2.2 2.0 ! A.1585 at 5.99e+05 assign (resid 135 and name HG2# ) (resid 136 and name HA ) 5.0 3.2 2.0 ! A.1043 at 1.14e+06 assign (resid 135 and name HA ) (resid 138 and name HN ) 5.0 3.2 1.0 ! B.2805 at 5.34e-02 assign (resid 135 and name HA ) (resid 138 and name HB# ) 5.0 3.2 2.0 ! A.1009 at 1.13e+06 assign (resid 135 and name HG2# ) (resid 139 and name HN ) 5.0 3.2 2.0 ! B.4485 at 1.82e-02 assign (resid 135 and name HG2# ) (resid 139 and name HD# ) 4.0 2.2 4.4 ! A.85 at 4.86e+06 assign (resid 135 and name HG2# ) (resid 139 and name HE# ) 3.0 1.2 3.7 ! A.273 at 5.79e+06 ! T136 assign (resid 136 and name HG2# ) (resid 137 and name HN ) 4.0 2.2 2.0 ! B.4473 at 1.02e-01 assign (resid 136 and name HA ) (resid 137 and name HN ) 3.0 1.2 0.5 ! B.4468 at 1.86e-01 assign (resid 136 and name HN ) (resid 137 and name HN ) 2.5 0.7 0.4 ! B.5552 at 6.40e-01 assign (resid 136 and name HG2# ) (resid 137 and name HD2# ) 2.5 0.7 2.2 ! A.7606 at 7.55e+06 assign (resid 136 and name HG2# ) (resid 137 and name HD1# ) 4.0 2.2 3.0 ! A.1699 at 5.52e+05 assign (resid 136 and name HA ) (resid 139 and name HN ) 5.0 3.2 1.0 ! B.4483 at 1.40e-02 assign (resid 136 and name HG2# ) (resid 141 and name HN ) 5.0 3.2 2.0 ! B.4505 at 3.58e-02 assign (resid 136 and name HG2# ) (resid 144 and name HN ) 5.0 3.2 2.0 ! B.4526 at 2.30e-02 assign (resid 136 and name HG2# ) (resid 144 and name HB# ) 4.0 2.2 3.0 ! A.1212 at 3.44e+06 assign (resid 136 and name HG2# ) (resid 144 and name HA ) 4.0 2.2 2.0 ! A.5947 at 1.31e+06 assign (resid 136 and name HG2# ) (resid 145 and name HN ) 2.5 0.7 1.4 ! A.7406 at 4.71e+06 assign (resid 136 and name HG2# ) (resid 145 and name HB# ) 4.0 2.2 3.0 ! A.1724 at 7.58e+05 assign (resid 136 and name HN ) (resid 148 and name HB# ) 4.0 2.2 2.0 ! B.5315 at 8.09e-02 assign (resid 136 and name HG2# ) (resid 148 and name HB# ) 2.5 0.7 2.2 ! A.549 at 3.52e+06 assign (resid 136 and name HB ) (resid 148 and name HB# ) 4.0 2.2 2.0 ! A.1282 at 1.53e+06 ! L137 assign (resid 137 and name HN ) (resid 138 and name HN ) 2.5 0.7 0.4 ! B.4474 at 2.45e-01 assign (resid 137 and name HA ) (resid 138 and name HN ) 4.0 2.2 1.0 ! B.5560 at 8.37e-02 assign (resid 137 and name HD1# ) (resid 138 and name HN ) 4.0 2.2 2.0 ! B.5614 at 8.80e-02 assign (resid 137 and name HD1# ) (resid 138 and name HA ) 5.0 3.2 2.0 ! A.2310 at 2.85e+06 assign (resid 137 and name HN ) (resid 139 and name HN ) 5.0 3.2 1.0 ! B.4480 at 1.65e-02 assign (resid 137 and name HD2# ) (resid 140 and name HN ) 5.0 3.2 2.0 ! B.3068 at 1.47e-02 assign (resid 137 and name HA ) (resid 140 and name HA ) 4.0 2.2 1.0 ! A.5688 at 1.15e+06 assign (resid 137 and name HD2# ) (resid 140 and name HD# ) 3.0 1.2 3.7 ! A.5681 at 1.57e+06 assign (resid 137 and name HD2# ) (resid 141 and name HN ) 5.0 3.2 2.0 ! B.4506 at 1.79e-02 assign (resid 137 and name HA ) (resid 141 and name HN ) 5.0 3.2 1.0 ! B.5319 at 3.28e-02 assign (resid 137 and name HD2# ) (resid 145 and name HN ) 5.0 3.2 2.0 ! B.5325 at 3.03e-02 assign (resid 137 and name HD2# ) (resid 145 and name HB# ) 3.0 1.2 2.3 ! A.2139 at 7.90e+06 assign (resid 137 and name HD2# ) (resid 145 and name HA ) 4.0 2.2 1.3 ! A.721 at 9.02e+06 assign (resid 137 and name HN ) (resid 148 and name HB# ) 2.5 0.7 1.4 ! B.4472 at 3.78e-01 assign (resid 137 and name HD1# ) (resid 148 and name HB# ) 4.0 2.2 3.0 ! A.2195 at 2.33e+06 assign (resid 137 and name HD2# ) (resid 148 and name HB# ) 4.0 2.2 2.3 ! A.2138 at 1.09e+07 assign (resid 137 and name HD1# ) (resid 149 and name HN ) 5.0 3.2 2.0 ! B.851 at 5.35e-02 assign (resid 137 and name HD1# ) (resid 149 and name HD2# ) 4.0 2.2 2.3 ! A.1701 at 1.19e+06 assign (resid 137 and name HD2# ) (resid 149 and name HD1# ) 4.0 2.2 3.0 ! A.1566 at 7.02e+05 assign (resid 137 and name HD1# ) (resid 149 and name HA ) 4.0 2.2 2.0 ! A.1858 at 3.11e+06 assign (resid 137 and name HD1# ) (resid 152 and name HD2# ) 3.0 1.2 2.3 ! A.582 at 1.19e+06 ! F138 assign (resid 138 and name HN ) (resid 139 and name HN ) 3.0 1.2 0.5 ! B.329 at 1.73e-01 assign (resid 138 and name HA ) (resid 139 and name HN ) 5.0 3.2 1.0 ! B.3075 at 2.87e-02 assign (resid 138 and name HD# ) (resid 139 and name HN ) 5.0 3.2 3.4 ! B.4482 at 3.70e-02 assign (resid 138 and name HD# ) (resid 139 and name HD# ) 5.0 3.2 5.8 ! A.88 at 9.65e+05 ! Y139 assign (resid 139 and name HN ) (resid 140 and name HN ) 5.0 3.2 1.0 ! B.1053 at 5.24e-02 assign (resid 139 and name HA ) (resid 140 and name HN ) 3.0 1.2 0.5 ! B.4490 at 2.06e-01 assign (resid 139 and name HB# ) (resid 140 and name HN ) 5.0 3.2 2.0 ! B.4491 at 3.55e-02 !assign (resid 139 and name HN ) (resid 140 and name HD# ) 5.0 3.2 1.0 ! B.3074 at 1.16e-02 assign (resid 139 and name HB# ) (resid 141 and name HB1 ) 4.0 2.2 2.0 ! A.476 at 9.79e+05 ! Y140 assign (resid 140 and name HN ) (resid 141 and name HN ) 5.0 3.2 1.0 ! B.4488 at 2.51e-02 assign (resid 140 and name HD# ) (resid 141 and name HN ) 4.0 2.2 3.4 ! B.4495 at 7.12e-02 assign (resid 140 and name HA ) (resid 141 and name HN ) 2.5 0.7 0.4 ! B.4501 at 4.19e-01 assign (resid 140 and name HE# ) (resid 141 and name HN ) 5.0 3.2 3.4 ! B.4497 at 1.82e-02 assign (resid 140 and name HD# ) (resid 141 and name HA ) 4.0 2.2 3.4 ! A.5694 at 8.73e+05 assign (resid 140 and name HD# ) (resid 142 and name HN ) 4.0 2.2 3.4 ! A.683 at 2.01e+06 assign (resid 140 and name HE# ) (resid 142 and name HN ) 5.0 3.2 3.4 ! B.4508 at 4.86e-02 assign (resid 140 and name HE# ) (resid 142 and name HB# ) 3.0 1.2 3.7 ! A.93 at -1.19e+06 assign (resid 140 and name HD1) (resid 142 and name HA ) 4.0 2.2 3.4 ! A.5579 at 9.66e+05 assign (resid 140 and name HE# ) (resid 142 and name HA ) 5.0 3.2 3.4 ! A.313 at 1.12e+06 assign (resid 140 and name HA ) (resid 145 and name HB# ) 3.0 1.2 1.3 ! A.7722 at 2.55e+06 assign (resid 140 and name HE# ) (resid 145 and name HB# ) 4.0 2.2 4.4 ! A.298 at 5.22e+06 assign (resid 140 and name HD# ) (resid 145 and name HB# ) 4.0 2.2 4.4 ! A.111 at 2.09e+06 ! N141 assign (resid 141 and name HN ) (resid 142 and name HN ) 5.0 3.2 1.0 ! B.4493 at 3.38e-02 assign (resid 141 and name HB2 ) (resid 142 and name HN ) 5.0 3.2 1.0 ! B.4509 at 6.95e-02 assign (resid 141 and name HA ) (resid 142 and name HN ) 2.5 0.7 0.4 ! A.38 at 1.02e+07 assign (resid 141 and name HA ) (resid 142 and name HA ) 4.0 2.2 1.0 ! A.402 at 1.38e+06 assign (resid 141 and name HA ) (resid 142 and name HB# ) 4.0 2.2 2.0 ! A.37 at 2.89e+06 assign (resid 141 and name HB# ) (resid 143 and name HN ) 5.0 3.2 2.0 ! B.4513 at 2.06e-02 assign (resid 141 and name HA ) (resid 143 and name HN ) 5.0 3.2 1.0 ! B.1869 at 2.83e-02 assign (resid 141 and name HN ) (resid 144 and name HN ) 5.0 3.2 1.0 ! B.4494 at 1.79e-02 assign (resid 141 and name HA ) (resid 144 and name HN ) 5.0 3.2 1.0 ! B.5323 at 2.97e-02 assign (resid 141 and name HB1 ) (resid 144 and name HB# ) 5.0 3.2 2.0 ! A.805 at 1.71e+06 assign (resid 141 and name HN ) (resid 145 and name HB# ) 5.0 3.2 2.0 ! A.432 at 1.70e+06 assign (resid 141 and name HB1 ) (resid 145 and name HA ) 4.0 2.2 1.0 ! A.2767 at -9.81e+05 ! A142 assign (resid 142 and name HA ) (resid 143 and name HN ) 5.0 3.2 1.0 ! B.4512 at 5.33e-02 assign (resid 142 and name HB# ) (resid 143 and name HN ) 4.0 2.2 2.0 ! B.4514 at 1.25e-01 assign (resid 142 and name HN ) (resid 143 and name HN ) 4.0 2.2 1.0 ! B.1862 at 5.43e-02 !!!assign (resid 142 and name HN ) (resid 143 and name HB# ) 5.0 3.2 2.0 ! B.4510 at 4.24e-02 assign (resid 142 and name HB# ) (resid 143 and name HG# ) 5.0 3.2 3.0 ! A.1195 at 2.51e+06 assign (resid 142 and name HB# ) (resid 143 and name HA ) 5.0 3.2 2.0 ! A.1679 at 1.16e+06 assign (resid 142 and name HB# ) (resid 144 and name HN ) 4.0 2.2 2.0 ! B.4525 at 2.42e-02 assign (resid 142 and name HN ) (resid 144 and name HN ) 5.0 3.2 1.0 ! B.3614 at 3.29e-02 assign (resid 142 and name HA ) (resid 144 and name HN ) 5.0 3.2 1.0 ! B.5754 at 2.42e-02 assign (resid 142 and name HA ) (resid 145 and name HN ) 4.0 2.2 1.0 ! B.3739 at 1.47e-01 assign (resid 142 and name HA ) (resid 145 and name HB# ) 4.0 2.2 2.0 ! A.1863 at 3.59e+06 assign (resid 142 and name HB# ) (resid 145 and name HB# ) 4.0 2.2 3.0 ! A.1624 at 1.11e+06 assign (resid 142 and name HA ) (resid 146 and name HG# ) 4.0 2.2 2.0 ! A.6106 at 8.31e+05 ! Q143 assign (resid 143 and name HB# ) (resid 144 and name HN ) 3.0 1.2 1.5 ! B.4524 at 1.20e-01 assign (resid 143 and name HN ) (resid 144 and name HN ) 3.0 1.2 0.5 ! B.4517 at 1.48e-01 assign (resid 143 and name HB# ) (resid 143 and name HN ) 2.5 0.7 1.4 ! B.4517 at 1.48e-01 assign (resid 143 and name HG# ) (resid 144 and name HN ) 5.0 3.2 2.0 ! B.3365 at 3.05e-02 assign (resid 143 and name HG# ) (resid 143 and name HN ) 4.0 2.2 2.0 ! B.3365 at 3.05e-02 assign (resid 143 and name HA ) (resid 144 and name HN ) 5.0 3.2 1.0 ! B.4521 at 5.22e-02 assign (resid 143 and name HB2 ) (resid 144 and name HN ) 4.0 2.2 1.0 ! B.4524 at 1.20e-01 assign (resid 143 and name HG# ) (resid 144 and name HB# ) 5.0 3.2 3.0 ! A.1652 at -3.91e+05 assign (resid 143 and name HN ) (resid 145 and name HN ) 5.0 3.2 1.0 ! B.3737 at 4.98e-02 assign (resid 143 and name HN ) (resid 145 and name HB# ) 5.0 3.2 2.0 ! B.4515 at 1.64e-02 ! S144 assign (resid 144 and name HA ) (resid 145 and name HN ) 4.0 2.2 1.0 ! B.3723 at 7.38e-02 assign (resid 144 and name HN ) (resid 145 and name HN ) 3.0 1.2 0.5 ! B.2693 at 2.09e-01 assign (resid 144 and name HB# ) (resid 145 and name HN ) 5.0 3.2 2.0 ! B.5324 at 5.08e-02 assign (resid 144 and name HN ) (resid 145 and name HB# ) 5.0 3.2 2.0 ! B.5628 at 3.39e-02 assign (resid 144 and name HN ) (resid 146 and name HD# ) 5.0 3.2 2.0 ! B.5755 at 1.59e-02 assign (resid 144 and name HA ) (resid 146 and name HD# ) 5.0 3.2 2.0 ! A.1463 at 9.80e+05 assign (resid 144 and name HA ) (resid 147 and name HB1 ) 4.0 2.2 1.0 ! A.1084 at 5.77e+06 ! A145 assign (resid 145 and name HN ) (resid 146 and name HD# ) 4.0 2.2 2.0 ! B.3724 at 1.14e-01 assign (resid 145 and name HB# ) (resid 146 and name HG# ) 3.0 1.2 2.3 ! A.6102 at 1.91e+06 !assign (resid 145 and name HB# ) (resid 146 and name HD# ) 5.0 3.2 3.0 ! A.2150 at 2.05e+06 assign (resid 145 and name HN ) (resid 148 and name HB# ) 5.0 3.2 2.0 ! B.3740 at 4.62e-02 assign (resid 145 and name HA ) (resid 148 and name HN ) 3.0 1.2 0.5 ! A.3784 at 3.56e-01 assign (resid 145 and name HA ) (resid 148 and name HB# ) 3.0 1.2 1.3 ! A.1784 at 5.56e+06 assign (resid 145 and name HB# ) (resid 149 and name HD1# ) 4.0 2.2 3.0 ! A.1574 at 8.29e+05 ! P146 assign (resid 146 and name HG# ) (resid 147 and name HN ) 5.0 3.2 2.0 ! B.3497 at 6.59e-02 assign (resid 146 and name HD# ) (resid 147 and name HN ) 5.0 3.2 2.0 ! B.4530 at 5.18e-02 assign (resid 146 and name HA ) (resid 147 and name HN ) 4.0 2.2 1.0 ! B.5562 at 7.03e-02 assign (resid 146 and name HA ) (resid 149 and name HD1# ) 3.0 1.2 1.3 ! A.1271 at 5.49e+06 assign (resid 146 and name HA ) (resid 149 and name HN ) 5.0 3.2 1.0 ! carbon readout N15-edit assign (resid 146 and name HA ) (resid 149 and name HD2# ) 4.0 2.2 2.0 ! A.1272 at 1.30e+06 assign (resid 146 and name HA ) (resid 149 and name HB1 ) 5.0 3.2 1.0 ! A.1047 at 1.13e+06 assign (resid 146 and name HA ) (resid 150 and name HD1# ) 5.0 3.2 2.0 ! A.1059 at 9.27e+05 ! S147 assign (resid 147 and name HB2 ) (resid 148 and name HN ) 4.0 2.2 1.0 ! B.250 at 1.14e-01 assign (resid 147 and name HN ) (resid 148 and name HN ) 3.0 1.2 0.5 ! B.221 at 1.83e-01 assign (resid 147 and name HA ) (resid 148 and name HN ) 4.0 2.2 1.0 ! B.5563 at 1.02e-01 assign (resid 147 and name HN ) (resid 150 and name HD1# ) 5.0 3.2 2.0 ! B.4532 at 3.39e-02 assign (resid 147 and name HB1 ) (resid 150 and name HD1# ) 4.0 2.2 2.0 ! A.165 at 8.69e+05 assign (resid 147 and name HB2 ) (resid 150 and name HD1# ) 4.0 2.2 2.0 ! A.1567 at 1.95e+06 ! A148 assign (resid 148 and name HN ) (resid 149 and name HN ) 3.0 1.2 0.5 ! B.4533 at 1.72e-01 assign (resid 148 and name HA ) (resid 149 and name HN ) 3.0 1.2 0.5 ! B.5509 at 1.78e-01 assign (resid 148 and name HB# ) (resid 149 and name HN ) 2.5 0.7 1.4 ! B.4538 at 2.14e-01 assign (resid 148 and name HN ) (resid 150 and name HN ) 5.0 3.2 1.0 ! B.3012 at 3.58e-02 assign (resid 148 and name HA ) (resid 150 and name HN ) 4.0 2.2 1.0 ! B.5332 at 1.60e-01 assign (resid 148 and name HN ) (resid 150 and name HB2 ) 4.0 2.2 1.0 ! A.764 at 2.83e+06 assign (resid 148 and name HA ) (resid 151 and name HB2 ) 4.0 2.2 1.0 ! A.3367 at 1.16e+06 assign (resid 148 and name HA ) (resid 151 and name HG2# ) 3.0 1.2 1.3 ! A.5667 at 1.96e+06 assign (resid 148 and name HA ) (resid 151 and name HN ) 5.0 3.2 1.0 ! A.513 at 1.54e+06 assign (resid 148 and name HA ) (resid 152 and name HN ) 4.0 2.2 1.0 ! B.4557 at 8.53e-02 ! L149 assign (resid 149 and name HN ) (resid 150 and name HN ) 3.0 1.2 0.5 ! B.822 at 1.82e-01 assign (resid 149 and name HB1 ) (resid 150 and name HN ) 4.0 2.2 1.0 ! B.4544 at 7.76e-02 assign (resid 149 and name HA ) (resid 150 and name HN ) 4.0 2.2 1.0 ! B.4543 at 1.01e-01 assign (resid 149 and name HB2 ) (resid 150 and name HN ) 4.0 2.2 1.0 ! B.4545 at 7.05e-02 assign (resid 149 and name HD2# ) (resid 150 and name HN ) 5.0 3.2 2.0 ! B.4547 at 5.06e-02 assign (resid 149 and name HD1# ) (resid 150 and name HA ) 4.0 2.2 2.0 ! A.1575 at 5.74e+05 assign (resid 149 and name HD1# ) (resid 150 and name HG ) 2.5 0.7 1.2 ! A.2167 at 1.25e+07 assign (resid 149 and name HA ) (resid 151 and name HN ) 5.0 3.2 1.0 ! B.4551 at 2.67e-02 assign (resid 149 and name HN ) (resid 151 and name HN ) 5.0 3.2 1.0 ! B.4535 at 3.09e-02 assign (resid 149 and name HA ) (resid 152 and name HN ) 4.0 2.2 1.0 ! B.4558 at 1.02e-01 assign (resid 149 and name HA ) (resid 152 and name HB# ) 5.0 3.2 2.0 ! A.600 at 1.05e+06 assign (resid 149 and name HA ) (resid 152 and name HD2# ) 5.0 3.2 2.0 ! A.1857 at 1.55e+06 assign (resid 149 and name HA ) (resid 153 and name HN ) 5.0 3.2 1.0 ! B.5567 at 4.39e-02 assign (resid 149 and name HB2 ) (resid 153 and name HD1# ) 4.0 2.2 2.0 ! A.893 at 2.79e+06 assign (resid 149 and name HD1# ) (resid 153 and name HD1# ) 4.0 2.2 3.0 ! A.1527 at 6.93e+05 ! L150 assign (resid 150 and name HG ) (resid 151 and name HN ) 5.0 3.2 1.0 ! B.4553 at 3.53e-02 assign (resid 150 and name HB2 ) (resid 151 and name HN ) 5.0 3.2 1.0 ! B.4552 at 6.99e-02 assign (resid 150 and name HA ) (resid 151 and name HN ) 3.0 1.2 0.5 ! B.5334 at 1.48e-01 assign (resid 150 and name HN ) (resid 151 and name HN ) 4.0 2.2 1.0 ! B.598 at 1.39e-01 assign (resid 150 and name HN ) (resid 151 and name HG2# ) 4.0 2.2 2.0 ! A.7410 at 1.01e+06 assign (resid 150 and name HN ) (resid 152 and name HN ) 5.0 3.2 1.0 ! B.5568 at 3.68e-02 assign (resid 150 and name HA ) (resid 153 and name HN ) 5.0 3.2 1.0 ! B.5337 at 5.24e-02 assign (resid 150 and name HA ) (resid 153 and name HD1# ) 4.0 2.2 2.0 ! A.728 at 2.02e+06 assign (resid 150 and name HA ) (resid 153 and name HG1# ) 2.5 0.7 1.2 ! A.6859 at 3.66e+06 assign (resid 150 and name HG ) (resid 153 and name HB ) 5.0 3.2 1.0 ! A.671 at -8.59e+05 assign (resid 150 and name HA ) (resid 153 and name HB ) 4.0 2.2 1.0 ! A.643 at -8.21e+05 assign (resid 150 and name HD1# ) (resid 153 and name HD1# ) 4.0 2.2 3.0 ! A.2704 at 1.78e+06 ! V151 assign (resid 151 and name HA ) (resid 152 and name HN ) 5.0 3.2 1.0 ! B.5335 at 6.27e-02 assign (resid 151 and name HG2# ) (resid 152 and name HN ) 4.0 2.2 2.0 ! B.4562 at 1.19e-01 assign (resid 151 and name HB ) (resid 152 and name HN ) 2.5 0.7 0.4 ! B.4560 at 2.20e-01 assign (resid 151 and name HG1# ) (resid 152 and name HN ) 2.5 0.7 1.4 ! B.419 at 2.58e-01 assign (resid 151 and name HN ) (resid 152 and name HN ) 3.0 1.2 0.5 ! B.413 at 1.96e-01 assign (resid 151 and name HN ) (resid 152 and name HB# ) 5.0 3.2 2.0 ! B.4555 at 4.33e-02 assign (resid 151 and name HG1# ) (resid 152 and name HA ) 3.0 1.2 1.3 ! A.2662 at 4.43e+06 assign (resid 151 and name HG1# ) (resid 155 and name HG2# ) 3.0 1.2 2.3 ! A.1152 at 1.11e+06 ! L152 assign (resid 152 and name HN ) (resid 153 and name HN ) 4.0 2.2 1.0 ! B.412 at 1.15e-01 assign (resid 152 and name HA ) (resid 153 and name HN ) 5.0 3.2 1.0 ! B.3005 at 4.54e-02 assign (resid 152 and name HB# ) (resid 153 and name HN ) 3.0 1.2 1.5 ! B.946 at 1.89e-01 assign (resid 152 and name HG ) (resid 153 and name HA ) 5.0 3.2 1.0 ! A.1079 at 1.09e+06 assign (resid 152 and name HA ) (resid 154 and name HN ) 4.0 2.2 1.0 ! B.5341 at 7.68e-02 assign (resid 152 and name HD1# ) (resid 155 and name HN ) 4.0 2.2 2.0 ! B.5536 at -1.74e-01 assign (resid 152 and name HA ) (resid 155 and name HN ) 3.0 1.2 0.5 ! B.4574 at -9.59e-01 assign (resid 152 and name HA ) (resid 155 and name HB ) 4.0 2.2 1.0 ! A.1175 at 2.69e+06 assign (resid 152 and name HA ) (resid 155 and name HG2# ) 4.0 2.2 2.0 ! A.1610 at 3.08e+06 assign (resid 152 and name HA ) (resid 156 and name HN ) 4.0 2.2 1.0 ! B.4579 at 1.12e-01 assign (resid 152 and name HA ) (resid 156 and name HB ) 5.0 3.2 1.0 ! A.1145 at 2.22e+06 assign (resid 152 and name HA ) (resid 156 and name HG2# ) 4.0 2.2 2.0 ! A.7545 at 1.22e+06 assign (resid 152 and name HD1# ) (resid 156 and name HG2# ) 3.0 1.2 2.3 ! A.2104 at 7.35e+06 ! I153 assign (resid 153 and name HN ) (resid 154 and name HN ) 3.0 1.2 0.5 ! B.938 at 1.67e-01 assign (resid 153 and name HA ) (resid 154 and name HN ) 4.0 2.2 1.0 ! B.4568 at 1.21e-01 assign (resid 153 and name HB ) (resid 154 and name HN ) 5.0 3.2 1.0 ! A.836 at 1.47e+06 assign (resid 153 and name HG2# ) (resid 154 and name HN ) 3.0 1.2 1.5 ! B.4570 at 1.70e-01 assign (resid 153 and name HD1# ) (resid 154 and name HN ) 4.0 2.2 2.0 ! B.4571 at 8.21e-02 assign (resid 153 and name HG2# ) (resid 154 and name HA ) 4.0 2.2 2.0 ! A.2237 at 1.81e+06 assign (resid 153 and name HN ) (resid 155 and name HN ) 5.0 3.2 1.0 ! B.4564 at 4.79e-02 assign (resid 153 and name HA ) (resid 156 and name HN ) 5.0 3.2 1.0 ! B.5343 at 6.31e-02 assign (resid 153 and name HA ) (resid 156 and name HB ) 5.0 3.2 1.0 ! A.1181 at 1.38e+06 assign (resid 153 and name HA ) (resid 157 and name HN ) 5.0 3.2 1.0 ! B.4586 at 6.90e-02 assign (resid 153 and name HG2# ) (resid 157 and name HB# ) 3.0 1.2 2.3 ! A.2157 at 1.03e+07 assign (resid 153 and name HA ) (resid 157 and name HB# ) 5.0 3.2 2.0 ! A.1080 at 1.28e+06 assign (resid 153 and name HG1# ) (resid 158 and name HN ) 5.0 3.2 2.0 ! B.4593 at 5.69e-02 ! Q154 assign (resid 154 and name HN ) (resid 155 and name HN ) 2.5 0.7 0.4 ! B.4573 at -2.92e-01 assign (resid 154 and name HN ) (resid 156 and name HN ) 5.0 3.2 1.0 ! B.3301 at 6.43e-02 assign (resid 154 and name HN ) (resid 158 and name HG# ) 3.0 1.2 1.5 ! B.5342 at 1.66e-01 assign (resid 154 and name HA ) (resid 158 and name HG# ) 3.0 1.2 1.3 ! A.397 at 3.49e+06 ! T155 assign (resid 155 and name HN ) (resid 156 and name HN ) 2.5 0.7 0.4 ! B.4572 at -5.21e-01 assign (resid 155 and name HA ) (resid 156 and name HN ) 4.0 2.2 1.0 ! B.2427 at 7.62e-02 assign (resid 155 and name HA ) (resid 169 and name HG2# ) 4.0 2.2 2.0 ! A.1284 at 3.38e+06 assign (resid 155 and name HB ) (resid 169 and name HG2# ) 5.0 3.2 2.0 ! A.1914 at 1.68e+06 assign (resid 155 and name HB ) (resid 169 and name HG1# ) 4.0 2.2 2.0 ! A.878 at 2.15e+06 assign (resid 155 and name HG2# ) (resid 169 and name HG1# ) 3.0 1.2 2.3 ! A.1151 at 1.20e+06 assign (resid 155 and name HA ) (resid 169 and name HG1# ) 5.0 3.2 2.0 ! A.1285 at 1.16e+06 ! T156 assign (resid 156 and name HN ) (resid 157 and name HB# ) 5.0 3.2 2.0 ! B.4581 at 4.53e-02 assign (resid 156 and name HN ) (resid 157 and name HN ) 2.5 0.7 0.4 ! B.2438 at 2.13e-01 assign (resid 156 and name HG2# ) (resid 157 and name HN ) 4.0 2.2 2.0 ! B.4587 at 1.21e-01 assign (resid 156 and name HB ) (resid 157 and name HN ) 2.5 0.7 0.4 ! B.5344 at 2.73e-01 assign (resid 156 and name HN ) (resid 158 and name HN ) 5.0 3.2 1.0 ! B.2364 at 4.92e-02 assign (resid 156 and name HB ) (resid 159 and name HN ) 5.0 3.2 1.0 ! B.2986 at 2.10e-02 assign (resid 156 and name HA ) (resid 159 and name HB# ) 2.5 0.7 1.2 ! A.6151 at 3.40e+06 assign (resid 156 and name HA ) (resid 160 and name HN ) 5.0 3.2 1.0 ! B.3644 at 1.76e-02 ! A157 assign (resid 157 and name HB# ) (resid 158 and name HN ) 4.0 2.2 2.0 ! A.417 at 3.47e+06 assign (resid 157 and name HN ) (resid 158 and name HN ) 5.0 3.2 1.0 ! B.2360 at 5.24e-02 assign (resid 157 and name HB# ) (resid 158 and name HA ) 4.0 2.2 2.0 ! A.2704 at 1.88e+06 assign (resid 157 and name HN ) (resid 159 and name HN ) 5.0 3.2 1.0 ! B.4600 at 2.46e-02 assign (resid 157 and name HA ) (resid 160 and name HN ) 5.0 3.2 1.0 ! B.4607 at 6.18e-02 assign (resid 157 and name HB# ) (resid 160 and name HN ) 5.0 3.2 2.0 ! B.4608 at 3.42e-02 assign (resid 157 and name HA ) (resid 160 and name HB# ) 4.0 2.2 2.0 ! A.1467 at 6.33e+05 assign (resid 157 and name HB# ) (resid 160 and name HB# ) 4.0 2.2 3.0 ! A.1486 at 5.80e+05 ! E158 assign (resid 158 and name HA ) (resid 159 and name HN ) 5.0 3.2 1.0 ! B.4598 at 5.79e-02 assign (resid 158 and name HN ) (resid 159 and name HN ) 3.0 1.2 0.5 ! B.4595 at 1.65e-01 assign (resid 158 and name HA ) (resid 161 and name HN ) 5.0 3.2 1.0 ! B.1722 at 5.20e-02 assign (resid 158 and name HG# ) (resid 161 and name HG# ) 4.0 2.2 3.0 ! A.1873 at 2.62e+06 assign (resid 158 and name HG# ) (resid 165 and name HD1# ) 4.0 2.2 3.0 ! A.6362 at 1.02e+06 assign (resid 158 and name HB# ) (resid 165 and name HD1# ) 4.0 2.2 3.0 ! A.896 at 2.64e+06 assign (resid 158 and name HB# ) (resid 166 and name HA ) 5.0 3.2 2.0 ! A.1445 at 4.61e+05 ! A159 assign (resid 159 and name HN ) (resid 160 and name HB# ) 5.0 3.2 2.0 ! B.4604 at 3.56e-02 assign (resid 159 and name HN ) (resid 160 and name HN ) 3.0 1.2 0.5 ! B.4594 at 1.75e-01 assign (resid 159 and name HB# ) (resid 160 and name HN ) 3.0 1.2 1.5 ! B.4609 at 1.58e-01 assign (resid 159 and name HA ) (resid 160 and name HN ) 5.0 3.2 1.0 ! B.1228 at 4.49e-02 assign (resid 159 and name HB# ) (resid 160 and name HA ) 4.0 2.2 2.0 ! A.5303 at 1.04e+06 assign (resid 159 and name HN ) (resid 161 and name HN ) 5.0 3.2 1.0 ! B.4596 at 5.33e-02 assign (resid 159 and name HN ) (resid 165 and name HG2# ) 4.0 2.2 2.0 ! A.448 at 2.19e+06 assign (resid 159 and name HA ) (resid 165 and name HG2# ) 4.0 2.2 2.0 ! A.689 at 2.42e+06 assign (resid 159 and name HA ) (resid 165 and name HB ) 5.0 3.2 1.0 ! A.1006 at 1.31e+06 assign (resid 159 and name HA ) (resid 165 and name HD1# ) 5.0 3.2 2.0 ! A.216 at -3.90e+05 assign (resid 159 and name HB# ) (resid 165 and name HG2# ) 4.0 2.2 3.0 ! A.1474 at 9.90e+05 assign (resid 159 and name HA ) (resid 166 and name HN ) 3.0 1.2 0.5 ! B.5358 at 4.39e-01 assign (resid 159 and name HB# ) (resid 166 and name HA ) 4.0 2.2 2.0 ! A.1496 at 3.90e+06 assign (resid 159 and name HB# ) (resid 166 and name HG# ) 4.0 2.2 3.0 ! A.7669 at 1.72e+06 assign (resid 159 and name HB# ) (resid 166 and name HB# ) 4.0 2.2 3.0 ! A.7667 at 1.49e+06 assign (resid 159 and name HB# ) (resid 167 and name HN ) 5.0 3.2 2.0 ! B.3362 at 3.21e-02 assign (resid 159 and name HB# ) (resid 169 and name HB ) 4.0 2.2 2.0 ! A.4023 at 8.81e+05 assign (resid 159 and name HB# ) (resid 169 and name HG2# ) 4.0 2.2 3.0 ! A.1477 at 5.10e+05 ! A160 assign (resid 160 and name HN ) (resid 161 and name HN ) 4.0 2.2 1.0 ! B.1224 at 1.30e-01 assign (resid 160 and name HB# ) (resid 161 and name HN ) 4.0 2.2 2.0 ! A.438 at 3.09e+06 assign (resid 160 and name HB# ) (resid 161 and name HG# ) 3.0 1.2 2.3 ! A.6018 at 2.03e+06 assign (resid 160 and name HB# ) (resid 161 and name HA ) 4.0 2.2 2.0 ! A.1812 at 2.41e+06 assign (resid 160 and name HN ) (resid 162 and name HN ) 5.0 3.2 1.0 ! B.1223 at 3.52e-02 assign (resid 160 and name HB# ) (resid 162 and name HN ) 5.0 3.2 2.0 ! B.1920 at 6.35e-02 assign (resid 160 and name HA ) (resid 237 and name HD1# ) 5.0 3.2 2.0 ! A.857 at 4.98e+06 assign (resid 160 and name HB# ) (resid 237 and name HD1# ) 3.0 1.2 2.3 ! A.592 at 1.18e+06 ! R161 assign (resid 161 and name HN ) (resid 162 and name HN ) 4.0 2.2 1.0 ! B.1721 at 1.94e-01 assign (resid 161 and name HA ) (resid 162 and name HN ) 5.0 3.2 1.0 ! B.4620 at 3.68e-02 assign (resid 161 and name HA ) (resid 237 and name HN ) 5.0 3.2 1.0 ! B.5082 at 5.59e-02 assign (resid 161 and name HA ) (resid 237 and name HD1# ) 4.0 2.2 2.0 ! A.1810 at 3.07e+06 assign (resid 161 and name HA ) (resid 237 and name HD2# ) 4.0 2.2 2.0 ! A.1525 at 2.26e+06 assign (resid 161 and name HA ) (resid 237 and name HG ) 5.0 3.2 1.0 ! A.1548 at 1.25e+06 ! F162 assign (resid 162 and name HB2 ) (resid 163 and name HN ) 5.0 3.2 1.0 ! B.5347 at 6.94e-02 assign (resid 162 and name HA ) (resid 163 and name HN ) 2.5 0.7 0.4 ! B.4624 at 7.07e-01 assign (resid 162 and name HB1 ) (resid 164 and name HN ) 5.0 3.2 1.0 ! B.4628 at 2.83e-02 assign (resid 162 and name HA ) (resid 164 and name HN ) 4.0 2.2 1.0 ! B.4626 at 1.36e-01 assign (resid 162 and name HA ) (resid 165 and name HN ) 5.0 3.2 1.0 ! B.3241 at 5.25e-02 assign (resid 162 and name HB1 ) (resid 165 and name HN ) 4.0 2.2 1.0 ! B.4636 at 8.02e-02 assign (resid 162 and name HB2 ) (resid 165 and name HN ) 4.0 2.2 1.0 ! B.5355 at 1.34e-01 assign (resid 162 and name HB1 ) (resid 165 and name HD1# ) 4.0 2.2 2.0 ! A.899 at 1.76e+06 assign (resid 162 and name HB2 ) (resid 186 and name HD1# ) 5.0 3.2 2.0 ! A.2180 at 1.05e+06 assign (resid 162 and name HD# ) (resid 235 and name HD1# ) 2.5 0.7 3.6 ! A.5927 at 3.05e+06 assign (resid 162 and name HA ) (resid 235 and name HA ) 5.0 3.2 1.0 ! A.335 at 8.34e+05 assign (resid 162 and name HA ) (resid 236 and name HN ) 3.0 1.2 0.5 ! B.215 at 2.07e-01 assign (resid 162 and name HN ) (resid 236 and name HB2 ) 5.0 3.2 1.0 ! B.5345 at 2.39e-02 assign (resid 162 and name HA ) (resid 237 and name HN ) 5.0 3.2 1.0 ! B.5081 at 2.22e-02 ! K163 assign (resid 163 and name HG# ) (resid 164 and name HN ) 5.0 3.2 2.0 ! B.5352 at 4.57e-02 assign (resid 163 and name HB# ) (resid 164 and name HN ) 4.0 2.2 2.0 ! B.4630 at 9.50e-02 assign (resid 163 and name HN ) (resid 164 and name HN ) 3.0 1.2 0.5 ! B.2528 at 1.60e-01 assign (resid 163 and name HA ) (resid 166 and name HN ) 4.0 2.2 1.0 ! Partial overlap assign (resid 163 and name HA ) (resid 166 and name HB# ) 4.0 2.2 2.0 ! A.1825 at 2.19e+06 assign (resid 163 and name HB# ) (resid 167 and name HG# ) 4.0 2.2 3.0 ! A.6674 at 1.11e+06 assign (resid 163 and name HG# ) (resid 167 and name HD# ) 4.0 2.2 3.0 ! A.1439 at -6.66e+05 assign (resid 163 and name HD# ) (resid 233 and name HA# ) 3.0 1.2 2.3 ! A.6894 at 2.46e+06 assign (resid 163 and name HB# ) (resid 234 and name HA ) 4.0 2.2 2.0 ! A.1315 at 2.63e+06 assign (resid 163 and name HG# ) (resid 234 and name HA ) 4.0 2.2 2.0 ! A.1 at -5.42e+05 assign (resid 163 and name HN ) (resid 235 and name HA ) 4.0 2.2 1.0 ! B.5346 at 8.02e-02 ! Y164 assign (resid 164 and name HA ) (resid 165 and name HN ) 4.0 2.2 1.0 ! B.4635 at 9.13e-02 assign (resid 164 and name HN ) (resid 165 and name HN ) 3.0 1.2 0.5 ! B.1531 at 1.62e-01 assign (resid 164 and name HD# ) (resid 165 and name HN ) 5.0 3.2 3.4 ! B.3674 at 6.99e-02 assign (resid 164 and name HD# ) (resid 165 and name HA ) 5.0 3.2 3.4 ! A.575 at 9.73e+05 assign (resid 164 and name HN ) (resid 166 and name HB# ) 4.0 2.2 2.0 ! B.4629 at 2.20e-01 assign (resid 164 and name HA ) (resid 166 and name HB# ) 4.0 2.2 2.0 ! A.5662 at 2.02e+06 assign (resid 164 and name HA ) (resid 167 and name HN ) 4.0 2.2 1.0 ! B.4545 at 9.33e-02 assign (resid 164 and name HA ) (resid 167 and name HG# ) 5.0 3.2 2.0 ! A.485 at 4.66e+05 assign (resid 164 and name HA ) (resid 167 and name HB2 ) 3.0 1.2 0.3 ! A.6811 at 1.64e+06 assign (resid 164 and name HA ) (resid 167 and name HD# ) 5.0 3.2 2.0 ! A.1387 at 1.73e+06 assign (resid 164 and name HE# ) (resid 168 and name HB2 ) 5.0 3.2 3.4 ! A.832 at 9.19e+05 assign (resid 164 and name HE# ) (resid 168 and name HD2 ) 5.0 3.2 3.4 ! A.250 at 1.60e+06 assign (resid 164 and name HE# ) (resid 182 and name HB# ) 4.0 2.2 3.7 ! A.1451 at -1.03e+06 assign (resid 164 and name HE# ) (resid 183 and name HN ) 4.0 2.2 3.4 ! B.5511 at 9.87e-02 assign (resid 164 and name HE# ) (resid 183 and name HA ) 4.0 2.2 3.4 ! A.826 at 1.70e+06 assign (resid 164 and name HE# ) (resid 183 and name HG2# ) 4.0 2.2 4.4 ! A.830 at 1.84e+06 assign (resid 164 and name HE# ) (resid 183 and name HD1# ) 4.0 2.2 4.4 ! A.1287 at 6.90e+05 assign (resid 164 and name HD# ) (resid 183 and name HD1# ) 5.0 3.2 4.4 ! A.1288 at 4.67e+05 assign (resid 164 and name HE# ) (resid 183 and name HG1# ) 4.0 2.2 4.4 ! A.277 at 2.58e+06 assign (resid 164 and name HD# ) (resid 186 and name HD1# ) 4.0 2.2 4.4 ! A.152 at 3.99e+06 assign (resid 164 and name HD# ) (resid 186 and name HD2# ) 3.0 1.2 3.7 ! A.105 at 4.63e+06 assign (resid 164 and name HE# ) (resid 186 and name HD1# ) 4.0 2.2 4.4 ! A.78 at 1.33e+06 assign (resid 164 and name HB# ) (resid 186 and name HD2# ) 5.0 3.2 3.0 ! A.830 at 9.48e+05 assign (resid 164 and name HE# ) (resid 216 and name HB# ) 4.0 2.2 4.4 ! A.7004 at 1.08e+06 assign (resid 164 and name HE# ) (resid 216 and name HG# ) 4.0 2.2 4.4 ! A.6998 at 1.29e+06 assign (resid 164 and name HE# ) (resid 216 and name HD# ) 5.0 3.2 4.4 ! A.817 at 1.01e+06 assign (resid 164 and name HD# ) (resid 216 and name HB# ) 5.0 3.2 4.4 ! A.133 at 1.12e+06 assign (resid 164 and name HN ) (resid 235 and name HN ) 5.0 3.2 1.0 ! B.3243 at 2.23e-02 ! I165 assign (resid 165 and name HN ) (resid 166 and name HN ) 2.5 0.7 0.4 ! B.576 at 4.32e-01 assign (resid 165 and name HB ) (resid 166 and name HN ) 2.5 0.7 0.4 ! B.4639 at 2.78e-01 assign (resid 165 and name HG2# ) (resid 166 and name HN ) 5.0 3.2 2.0 ! A.450 at 1.77e+06 assign (resid 165 and name HA ) (resid 166 and name HN ) 3.0 1.2 0.5 ! B.5359 at 1.71e-01 assign (resid 165 and name HG1# ) (resid 166 and name HN ) 4.0 2.2 2.0 ! B.4640 at 1.11e-01 assign (resid 165 and name HN ) (resid 167 and name HN ) 5.0 3.2 1.0 ! B.3350 at 3.47e-02 assign (resid 165 and name HA ) (resid 168 and name HN ) 5.0 3.2 1.0 ! B.3057 at 4.33e-02 assign (resid 165 and name HA ) (resid 168 and name HB2 ) 5.0 3.2 1.0 ! A.1288 at 9.48e+05 assign (resid 165 and name HA ) (resid 168 and name HB1 ) 5.0 3.2 1.0 ! A.609 at 1.18e+06 assign (resid 165 and name HG2# ) (resid 169 and name HG2# ) 3.0 1.2 2.3 ! A.1418 at 1.14e+06 assign (resid 165 and name HD1# ) (resid 183 and name HA ) 4.0 2.2 2.0 ! A.5762 at 9.99e+05 assign (resid 165 and name HG2# ) (resid 183 and name HD1# ) 4.0 2.2 3.0 ! A.1291 at -5.96e+05 assign (resid 165 and name HA ) (resid 183 and name HD1# ) 5.0 3.2 2.0 ! A.1290 at -4.40e+05 assign (resid 165 and name HD1# ) (resid 183 and name HD1# ) 3.0 1.2 2.3 ! A.967 at 3.46e+06 assign (resid 165 and name HD1# ) (resid 186 and name HD1# ) 3.0 1.2 2.3 ! A.900 at 3.72e+06 !assign (resid 165 and name HB ) (resid 186 and name HB# ) 5.0 3.2 2.0 ! A.867 at 1.52e+06 assign (resid 165 and name HD1# ) (resid 187 and name HN ) 5.0 3.2 2.0 ! B.3367 at 3.22e-02 assign (resid 165 and name HD1# ) (resid 187 and name HG# ) 4.0 2.2 3.0 ! A.898 at 1.22e+06 assign (resid 165 and name HD1# ) (resid 187 and name HB# ) 4.0 2.2 3.0 ! A.897 at 1.84e+06 ! E166 assign (resid 166 and name HN ) (resid 167 and name HN ) 3.0 1.2 0.5 ! B.570 at 1.93e-01 assign (resid 166 and name HA ) (resid 167 and name HN ) 4.0 2.2 1.0 ! B.1844 at 1.06e-01 assign (resid 166 and name HG# ) (resid 167 and name HN ) 5.0 3.2 2.0 ! B.4644 at 6.54e-02 assign (resid 166 and name HB# ) (resid 167 and name HN ) 3.0 1.2 1.5 ! B.4643 at 1.89e-01 assign (resid 166 and name HN ) (resid 168 and name HN ) 5.0 3.2 1.0 ! B.4638 at 7.69e-02 assign (resid 166 and name HA ) (resid 169 and name HN ) 5.0 3.2 1.0 ! B.5369 at 5.10e-02 assign (resid 166 and name HA ) (resid 169 and name HG1# ) 4.0 2.2 2.0 ! A.7449 at 1.17e+06 assign (resid 166 and name HA ) (resid 169 and name HG2# ) 4.0 2.2 2.0 ! A.2426 at 1.17e+06 ! R167 assign (resid 167 and name HA ) (resid 168 and name HN ) 5.0 3.2 1.0 ! B.4648 at 6.15e-02 assign (resid 167 and name HN ) (resid 168 and name HN ) 4.0 2.2 1.0 ! B.1050 at 1.32e-01 assign (resid 167 and name HG# ) (resid 168 and name HN ) 5.0 3.2 2.0 ! B.5365 at 5.63e-02 assign (resid 167 and name HB# ) (resid 168 and name HN ) 5.0 3.2 2.0 ! B.5366 at 5.67e-02 assign (resid 167 and name HB2 ) (resid 168 and name HN ) 5.0 3.2 1.0 ! B.5367 at 5.67e-02 assign (resid 167 and name HB# ) (resid 168 and name HA ) 4.0 2.2 2.0 ! A.4081 at 8.79e+05 assign (resid 167 and name HN ) (resid 169 and name HN ) 5.0 3.2 1.0 ! B.3351 at 3.11e-02 assign (resid 167 and name HA ) (resid 170 and name HN ) 5.0 3.2 1.0 ! B.4548 at 6.02e-02 assign (resid 167 and name HA ) (resid 170 and name HB# ) 3.0 1.2 1.3 ! A.672 at 6.20e+06 assign (resid 167 and name HB2 ) (resid 171 and name HD# ) 4.0 2.2 2.0 ! A.1856 at 5.21e+05 assign (resid 167 and name HA ) (resid 171 and name HG# ) 3.0 1.2 1.3 ! A.2334 at 5.29e+06 ! H168 assign (resid 168 and name HN ) (resid 169 and name HG2# ) 5.0 3.2 2.0 ! B.4651 at 4.63e-02 assign (resid 168 and name HN ) (resid 169 and name HN ) 3.0 1.2 0.5 ! B.1051 at 1.69e-01 assign (resid 168 and name HB1 ) (resid 169 and name HN ) 4.0 2.2 1.0 ! B.1167 at 9.63e-02 assign (resid 168 and name HB2 ) (resid 169 and name HN ) 4.0 2.2 1.0 ! B.1169 at 1.14e-01 assign (resid 168 and name HA ) (resid 169 and name HN ) 5.0 3.2 1.0 ! B.5368 at 5.64e-02 assign (resid 168 and name HN ) (resid 170 and name HN ) 5.0 3.2 1.0 ! B.4647 at 3.75e-02 assign (resid 168 and name HA ) (resid 171 and name HN ) 5.0 3.2 1.0 ! B.5372 at 4.96e-02 assign (resid 168 and name HA ) (resid 171 and name HB# ) 4.0 2.2 2.0 ! A.3877 at 9.58e+05 assign (resid 168 and name HA ) (resid 171 and name HG# ) 5.0 3.2 2.0 ! A.1492 at 8.14e+05 assign (resid 168 and name HA ) (resid 171 and name HD# ) 5.0 3.2 2.0 ! A.1490 at 9.54e+05 assign (resid 168 and name HA ) (resid 171 and name HB1 ) 4.0 2.2 1.0 ! A.1544 at 1.55e+06 assign (resid 168 and name HA ) (resid 171 and name HB2 ) 5.0 3.2 1.0 ! A.1321 at 1.25e+06 assign (resid 168 and name HA ) (resid 171 and name HE# ) 4.0 2.2 2.0 ! A.1488 at 4.11e+06 assign (resid 168 and name HA ) (resid 172 and name HN ) 5.0 3.2 1.0 ! B.2747 at 2.61e-02 assign (resid 168 and name HD2 ) (resid 172 and name HE# ) 4.0 2.2 3.4 ! A.132 at 1.28e+06 assign (resid 168 and name HD2 ) (resid 183 and name HD1# ) 4.0 2.2 2.0 ! A.679 at 1.90e+06 assign (resid 168 and name HB1 ) (resid 183 and name HD1# ) 4.0 2.2 2.0 ! A.947 at 1.48e+06 assign (resid 168 and name HE1) (resid 216 and name HB# ) 4.0 2.2 2.0 ! A.1577 at 1.40e+06 ! V169 assign (resid 169 and name HN ) (resid 170 and name HN ) 2.5 0.7 0.4 ! B.4652 at 2.30e-01 assign (resid 169 and name HN ) (resid 170 and name HB# ) 5.0 3.2 2.0 ! B.5370 at 4.53e-02 assign (resid 169 and name HG2# ) (resid 170 and name HN ) 5.0 3.2 2.0 ! B.3846 at 2.71e-02 assign (resid 169 and name HB ) (resid 170 and name HN ) 5.0 3.2 1.0 ! B.3843 at 6.25e-02 assign (resid 169 and name HA ) (resid 170 and name HN ) 5.0 3.2 1.0 ! B.4659 at 1.61e-02 assign (resid 169 and name HG1# ) (resid 170 and name HN ) 5.0 3.2 2.0 ! B.1493 at 3.28e-02 assign (resid 169 and name HG1# ) (resid 170 and name HA ) 5.0 3.2 2.0 ! A.2014 at 1.38e+06 assign (resid 169 and name HN ) (resid 171 and name HN ) 5.0 3.2 1.0 ! B.3419 at 2.96e-02 assign (resid 169 and name HA ) (resid 172 and name HN ) 5.0 3.2 1.0 ! B.4672 at 4.98e-02 assign (resid 169 and name HA ) (resid 172 and name HB# ) 5.0 3.2 2.0 ! A.1033 at 9.41e+05 assign (resid 169 and name HA ) (resid 172 and name HD# ) 5.0 3.2 3.4 ! A.1039 at 1.13e+06 assign (resid 169 and name HA ) (resid 177 and name HD# ) 4.0 2.2 3.4 ! A.1038 at 2.88e+06 ! A170 assign (resid 170 and name HN ) (resid 171 and name HG# ) 5.0 3.2 2.0 ! B.5698 at 1.10e-02 assign (resid 170 and name HN ) (resid 171 and name HN ) 3.0 1 2 0.5 ! B.4657 at 8.72e-02 assign (resid 170 and name HA ) (resid 171 and name HN ) 5.0 3.2 1.0 ! B.2043 at 5.66e-02 assign (resid 170 and name HB# ) (resid 171 and name HN ) 4.0 2.2 2.0 ! A.674 at 3.77e+06 assign (resid 170 and name HN ) (resid 171 and name HA ) 5.0 3.2 1.0 ! B.5112 at 3.49e-02 assign (resid 170 and name HA ) (resid 173 and name HG* ) 4.0 2.2 3.0 ! A.5776 at 1.22e+06 ! K171 assign (resid 171 and name HA ) (resid 172 and name HN ) 4.0 2.2 1.0 ! B.4670 at 1.15e-01 assign (resid 171 and name HN ) (resid 172 and name HN ) 2.5 0.7 0.4 ! B.4667 at 3.29e-01 assign (resid 171 and name HB2 ) (resid 172 and name HN ) 4.0 2.2 1.0 ! B.4674 at 1.14e-01 assign (resid 171 and name HB1 ) (resid 172 and name HN ) 4.0 2.2 1.0 ! B.4675 at 9.07e-02 assign (resid 171 and name HG# ) (resid 172 and name HN ) 5.0 3.2 2.0 ! B.5375 at 4.29e-02 assign (resid 171 and name HN ) (resid 172 and name HD# ) 5.0 3.2 3.4 ! B.4663 at 4.52e-02 assign (resid 171 and name HN ) (resid 172 and name HD1 ) 5.0 3.2 1.0 ! B.4663 at 4.52e-02 assign (resid 171 and name HB1 ) (resid 172 and name HD# ) 5.0 3.2 3.4 ! A.7 at 7.99e+05 assign (resid 171 and name HB2 ) (resid 172 and name HD# ) 5.0 3.2 3.4 ! A.6 at 1.02e+06 assign (resid 171 and name HD# ) (resid 172 and name HE# ) 4.0 2.2 4.4 ! A.1857 at 2.78e+06 assign (resid 171 and name HB2 ) (resid 172 and name HE# ) 5.0 3.2 3.4 ! A.301 at 1.67e+06 assign (resid 171 and name HE# ) (resid 172 and name HE#) 5.0 3.2 4.4 ! A.297 at 1.61e+06 assign (resid 171 and name HB1 ) (resid 172 and name HE# ) 4.0 2.2 3.4 ! A.300 at 2.85e+06 ! Y172 assign (resid 172 and name HN ) (resid 173 and name HG* ) 5.0 3.2 3.0 ! B.4676 at 5.90e-02 assign (resid 172 and name HD# ) (resid 173 and name HN ) 5.0 3.2 3.4 ! B.4679 at 4.69e-02 assign (resid 172 and name HA ) (resid 173 and name HN ) 2.5 0.7 0.4 ! B.4680 at 3.43e-01 assign (resid 172 and name HB# ) (resid 173 and name HN ) 5.0 3.2 2.0 ! B.4682 at 3.85e-02 assign (resid 172 and name HN ) (resid 173 and name HN ) 5.0 3.2 1.0 ! B.4678 at 5.05e-02 assign (resid 172 and name HB1 ) (resid 173 and name HN ) 5.0 3.2 1.0 ! B.4682 at 3.85e-02 assign (resid 172 and name HA ) (resid 174 and name HN ) 3.0 1.2 0.5 ! B.4686 at 1.42e-01 assign (resid 172 and name HD# ) (resid 175 and name HN ) 5.0 3.2 3.4 ! B.2199 at 3.27e-02 assign (resid 172 and name HD# ) (resid 175 and name HG2# ) 4.0 2.2 4.4 ! A.8 at 1.83e+06 assign (resid 172 and name HE# ) (resid 175 and name HG2# ) 4.0 2.2 4.4 ! A.1312 at -6.44e+05 assign (resid 172 and name HD# ) (resid 175 and name HB ) 5.0 3.2 3.4 ! A.3 at 1.74e+06 assign (resid 172 and name HD# ) (resid 177 and name HN ) 5.0 3.2 3.4 ! B.4701 at 3.09e-02 assign (resid 172 and name HB# ) (resid 177 and name HB# ) 4.0 2.2 3.0 ! A.3403 at 1.15e+06 assign (resid 172 and name HD# ) (resid 177 and name HD# ) 5.0 3.2 5.8 ! A.60 at 7.97e+05 ! V173 assign (resid 173 and name HB ) (resid 174 and name HN ) 4.0 2.2 1.0 ! B.897 at 1.94e-01 assign (resid 173 and name HN ) (resid 174 and name HN ) 2.5 0.7 0.4 ! B.4685 at 3.07e-01 assign (resid 173 and name HG* ) (resid 174 and name HN ) 3.0 1.2 2.5 ! B.4690 at 1.47e-01 assign (resid 173 and name HA ) (resid 174 and name HN ) 5.0 3.2 1.0 ! B.4687 at 6.90e-02 assign (resid 173 and name HN ) (resid 174 and name HB# ) 5.0 3.2 2.0 ! B.4683 at 6.11e-02 assign (resid 173 and name HG* ) (resid 174 and name HA ) 4.0 2.2 3.0 ! A.1363 at -7.05e+05 assign (resid 173 and name HN ) (resid 175 and name HN ) 5.0 3.2 1.0 ! B.1151 at 5.60e-02 assign (resid 173 and name HB ) (resid 175 and name HN ) 5.0 3.2 1.0 ! B.3465 at 2.28e-02 assign (resid 173 and name HG* ) (resid 175 and name HN ) 5.0 3.2 3.0 ! B.4695 at 2.51e-02 ! A174 assign (resid 174 and name HN ) (resid 175 and name HG2# ) 5.0 3.2 2.0 ! B.847 at 5.45e-02 assign (resid 174 and name HN ) (resid 175 and name HN ) 2.5 0.7 0.4 ! B.867 at 3.65e-01 assign (resid 174 and name HB# ) (resid 175 and name HN ) 4.0 2.2 2.0 ! B.4694 at 1.07e-01 assign (resid 174 and name HA ) (resid 175 and name HN ) 4.0 2.2 1.0 ! B.4691 at 8.60e-02 ! T175 assign (resid 175 and name HN ) (resid 176 and name HN ) 5.0 3.2 1.0 ! B.1740 at 2.03e-02 assign (resid 175 and name HG2# ) (resid 176 and name HN ) 4.0 2.2 2.0 ! B.1754 at 9.00e-02 assign (resid 175 and name HA ) (resid 176 and name HN ) 2.5 0.7 0.4 ! B.4698 at 4.18e-01 assign (resid 175 and name HB ) (resid 176 and name HN ) 5.0 3.2 1.0 ! B.1746 at 2.35e-02 ! N176 assign (resid 176 and name HA ) (resid 177 and name HN ) 2.5 0.7 0.4 ! A.389 at 3.46e+06 assign (resid 176 and name HN ) (resid 177 and name HN ) 5.0 3.2 1.0 ! B.4700 at 3.34e-02 assign (resid 176 and name HN ) (resid 177 and name HD# ) 5.0 3.2 3.4 ! B.4697 at 1.54e-02 ! F177 assign (resid 177 and name HA ) (resid 178 and name HN ) 2.5 0.7 0.4 ! B.856 at 3.87e-01 assign (resid 177 and name HB# ) (resid 178 and name HN ) 3.0 1.2 1.5 ! B.4713 at 1.48e-01 assign (resid 177 and name HD# ) (resid 178 and name HN ) 5.0 3.2 3.4 ! A.82 at 1.08e+06 assign (resid 177 and name HD# ) (resid 178 and name HA ) 5.0 3.2 3.4 ! A.68 at 8.82e+05 assign (resid 177 and name HE# ) (resid 178 and name HG# ) 5.0 3.2 4.4 ! A.220 at 1.80e+06 assign (resid 177 and name HD# ) (resid 179 and name HA ) 4.0 2.2 3.4 ! A.649 at 1.67e+06 assign (resid 177 and name HE# ) (resid 179 and name HA ) 5.0 3.2 3.4 ! A.226 at 8.71e+05 assign (resid 177 and name HE# ) (resid 180 and name HN ) 4.0 2.2 3.4 ! B.4721 at 8.87e-02 ! K178 assign (resid 178 and name HA ) (resid 179 and name HD# ) 4.0 2.2 2.0 ! A.2117 at 2.88e+06 ! P179 assign (resid 179 and name HA ) (resid 180 and name HN ) 2.5 0.7 0.4 ! B.4722 at 4.28e-01 assign (resid 179 and name HB# ) (resid 180 and name HN ) 4.0 2.2 2.0 ! B.4726 at 1.15e-01 assign (resid 179 and name HA ) (resid 183 and name HB ) 5.0 3.2 1.0 ! A.1288 at 1.60e+06 assign (resid 179 and name HA ) (resid 183 and name HD1# ) 4.0 2.2 2.0 ! A.1287 at 2.30e+06 assign (resid 179 and name HB# ) (resid 183 and name HG2# ) 5.0 3.2 3.0 ! A.1284 at 4.50e+05 assign (resid 179 and name HB# ) (resid 183 and name HD1# ) 5.0 3.2 3.0 ! A.1370 at 1.77e+06 ! N180 assign (resid 180 and name HN ) (resid 181 and name HN ) 5.0 3.2 1.0 ! B.4718 at 2.41e-02 assign (resid 180 and name HB2 ) (resid 181 and name HN ) 3.0 1.2 0.5 ! B.1630 at 2.78e-01 assign (resid 180 and name HA ) (resid 181 and name HN ) 3.0 1.2 0.5 ! B.5384 at 3.98e-01 assign (resid 180 and name HB1 ) (resid 181 and name HN ) 4.0 122 1.0 ! B.1633 at 1.51e-01 assign (resid 180 and name HA ) (resid 182 and name HN ) 5.0 3.2 1.0 ! B.4732 at 2.69e-02 assign (resid 180 and name HB1 ) (resid 182 and name HN ) 5.0 3.2 1.0 ! B.2798 at 2.01e-02 assign (resid 180 and name HB2 ) (resid 182 and name HN ) 5.0 3.2 1.0 ! B.4734 at 5.45e-02 assign (resid 180 and name HN ) (resid 182 and name HN ) 5.0 3.2 1.0 ! B.4731 at 1.81e-02 assign (resid 180 and name HN ) (resid 182 and name HB# ) 5.0 3.2 2.0 ! B.5382 at 2.06e-02 assign (resid 180 and name HN ) (resid 183 and name HB ) 4.0 2.2 1.0 ! B.5381 at 1.04e-01 assign (resid 180 and name HN ) (resid 183 and name HD1# ) 3.0 1.2 1.5 ! B.1384 at 1.49e-01 assign (resid 180 and name HN ) (resid 183 and name HN ) 5.0 3.2 1.0 ! B.5722 at 2.08e-02 ! L181 assign (resid 181 and name HB# ) (resid 182 and name HN ) 5.0 3.2 2.0 ! B.4736 at 5.12e-02 assign (resid 181 and name HA ) (resid 182 and name HN ) 5.0 3.2 1.0 ! B.316 at 4.43e-02 assign (resid 181 and name HG ) (resid 182 and name HN ) 5.0 3.2 1.0 ! B.4735 at 5.17e-02 assign (resid 181 and name HN ) (resid 182 and name HN ) 4.0 2.2 1.0 ! B.4730 at 9.70e-02 assign (resid 181 and name HN ) (resid 182 and name HB# ) 5.0 3.2 2.0 ! B.3264 at 4.81e-02 assign (resid 181 and name HA ) (resid 184 and name HN ) 3.0 1.2 0.5 ! B.1311 at 1.89e-01 assign (resid 181 and name HN ) (resid 184 and name HN ) 5.0 3.2 1.0 ! B.3676 at 3.63e-02 assign (resid 181 and name HA ) (resid 184 and name HG2# ) 5.0 3.2 2.0 ! A.1265 at 4.37e+05 assign (resid 181 and name HA ) (resid 184 and name HD1# ) 5.0 3.2 2.0 ! A.2101 at -4.06e+05 assign (resid 181 and name HA ) (resid 184 and name HB ) 4.0 2.2 1.0 ! A.1020 at 3.05e+06 assign (resid 181 and name HD1# ) (resid 184 and name HG1# ) 4.0 2.2 3.0 ! A.1251 at 5.92e+05 assign (resid 181 and name HD1# ) (resid 184 and name HD1# ) 3.0 1.2 2.3 ! A.2089 at -1.71e+06 assign (resid 181 and name HD1# ) (resid 184 and name HB ) 4.0 2.2 2.0 ! A.1318 at -6.07e+05 assign (resid 181 and name HA ) (resid 184 and name HG1# ) 5.0 3.2 2.0 ! A.1621 at 1.26e+06 assign (resid 181 and name HB# ) (resid 185 and name HB# ) 4.0 2.2 3.0 ! A.972 at 1.46e+06 assign (resid 181 and name HB2 ) (resid 214 and name HD1# ) 4.0 2.2 2.0 ! A.739 at 4.86e+06 assign (resid 181 and name HB2 ) (resid 214 and name HG1# ) 4.0 2.2 2.0 ! A.6436 at 1.50e+06 assign (resid 181 and name HB2 ) (resid 214 and name HG2# ) 4.0 2.2 2.0 ! A.2059 at -5.44e+05 assign (resid 181 and name HA ) (resid 214 and name HD1# ) 4.0 2.2 2.0 ! A.1751 at 1.89e+06 assign (resid 181 and name HD2# ) (resid 218 and name HA# ) 5.0 3.2 3.0 ! A.1327 at -4.98e+05 ! A182 assign (resid 182 and name HN ) (resid 183 and name HN ) 3.0 1.2 0.5 ! B.301 at 1.66e-01 assign (resid 182 and name HA ) (resid 183 and name HN ) 4.0 2.2 1.0 ! B.1197 at 8.45e-02 assign (resid 182 and name HB# ) (resid 183 and name HN ) 2.5 0.7 1.4 ! B.1210 at 2.39e-01 assign (resid 182 and name HN ) (resid 184 and name HN ) 5.0 3.2 1.0 ! B.2793 at 2.09e-02 assign (resid 182 and name HA ) (resid 185 and name HN ) 5.0 3.2 1.0 ! B.4752 at 6.32e-02 assign (resid 182 and name HB# ) (resid 185 and name HN ) 5.0 3.2 2.0 ! B.4758 at 6.69e-02 assign (resid 182 and name HA ) (resid 214 and name HN ) 4.0 2.2 1.0 ! B.5427 at 7.76e-02 assign (resid 182 and name HA ) (resid 214 and name HB ) 5.0 3.2 1.0 ! A.1862 at 1.27e+06 assign (resid 182 and name HB# ) (resid 215 and name HA ) 4.0 2.2 2.0 ! A.2229 at 5.70e+05 assign (resid 182 and name HN ) (resid 216 and name HA ) 5.0 3.2 1.0 ! B.307 at 6.67e-02 assign (resid 182 and name HB# ) (resid 216 and name HA ) 4.0 2.2 2.0 ! A.1103 at 3.19e+06 assign (resid 182 and name HB# ) (resid 216 and name HD# ) 5.0 3.2 3.0 ! A.2234 at -5.41e+05 ! I183 assign (resid 183 and name HN ) (resid 184 and name HN ) 3.0 1.2 0.5 ! B.4740 at 1.57e-01 assign (resid 183 and name HB ) (resid 184 and name HN ) 2.5 0.7 0.4 ! B.4745 at 2.90e-01 assign (resid 183 and name HN ) (resid 184 and name HD1# ) 5.0 3.2 2.0 ! B.5387 at 4.09e-02 assign (resid 183 and name HG2# ) (resid 184 and name HD1# ) 3.0 1.2 2.3 ! A.2091 at -1.26e+06 assign (resid 183 and name HA ) (resid 186 and name HN ) 5.0 3.2 1.0 ! B.4767 at 5.04e-02 assign (resid 183 and name HA ) (resid 186 and name HD2# ) 4.0 2.2 2.0 ! A.5820 at 2.64e+06 assign (resid 183 and name HA ) (resid 186 and name HD1# ) 3.0 1.2 1.3 ! A.2124 at 4.32e+06 assign (resid 183 and name HG1# ) (resid 186 and name HB# ) 5.0 3.2 3.0 ! A.884 at 1.78e+06 assign (resid 183 and name HG2# ) (resid 187 and name HN ) 4.0 2.2 2.0 ! A.453 at 1.95e+06 ! I184 assign (resid 184 and name HN ) (resid 185 and name HN ) 3.0 1.2 0.5 ! B.1304 at 1.81e-01 assign (resid 184 and name HD1# ) (resid 185 and name HN ) 5.0 3.2 2.0 ! B.4761 at 3.48e-02 assign (resid 184 and name HB ) (resid 185 and name HN ) 3.0 1.2 0.5 ! B.4756 at 1.62e-01 assign (resid 184 and name HG2# ) (resid 185 and name HN ) 4.0 2.2 2.0 ! B.4760 at 1.10e-01 assign (resid 184 and name HA ) (resid 185 and name HN ) 5.0 3.2 1.0 ! B.4755 at 4.67e-02 assign (resid 184 and name HA ) (resid 187 and name HN ) 5.0 3.2 1.0 ! B.1876 at 4.00e-02 assign (resid 184 and name HA ) (resid 187 and name HB# ) 5.0 3.2 2.0 ! A.1273 at 8.88e+05 assign (resid 184 and name HA ) (resid 188 and name HN ) 5.0 3.2 1.0 ! B.4785 at 5.89e-02 assign (resid 184 and name HB ) (resid 214 and name HD1# ) 4.0 2.2 2.0 ! A.1023 at 2.06e+06 ! S185 assign (resid 185 and name HN ) (resid 186 and name HN ) 4.0 2.2 1.0 ! B.4763 at 1.12e-01 assign (resid 185 and name HB# ) (resid 186 and name HN ) 4.0 2.2 2.0 ! B.4765 at 7.12e-02 assign (resid 185 and name HN ) (resid 186 and name HB# ) 5.0 3.2 2.0 ! B.4757 at 4.70e-02 assign (resid 185 and name HA ) (resid 188 and name HN ) 4.0 2.2 1.0 ! B.5630 at 8.98e-02 assign (resid 185 and name HA ) (resid 188 and name HB1 ) 5.0 3.2 1.0 ! A.1237 at -4.93e+05 assign (resid 185 and name HA ) (resid 188 and name HB2 ) 5.0 3.2 1.0 ! A.1008 at 1.12e+06 assign (resid 185 and name HB# ) (resid 213 and name HD2# ) 4.0 2.2 3.0 ! A.961 at 5.63e+05 assign (resid 185 and name HB# ) (resid 213 and name HA ) 5.0 3.2 2.0 ! A.1268 at 2.01e+06 assign (resid 185 and name HB# ) (resid 214 and name HN ) 4.0 2.2 2.0 ! B.4940 at 1.25e-01 assign (resid 185 and name HN ) (resid 214 and name HN ) 5.0 3.2 1.0 ! B.4937 at 3.17e-02 assign (resid 185 and name HN ) (resid 214 and name HG2# ) 5.0 3.2 2.0 ! B.4759 at 3.31e-02 assign (resid 185 and name HB# ) (resid 214 and name HG2# ) 3.0 1.2 2.3 ! A.6262 at 2.17e+06 assign (resid 185 and name HB# ) (resid 214 and name HD1# ) 4.0 2.2 2.3 ! A.750 at 6.30e+06 assign (resid 185 and name HB# ) (resid 214 and name HB ) 5.0 3.2 2.0 ! A.893 at 1.38e+06 assign (resid 185 and name HB# ) (resid 214 and name HG1# ) 5.0 3.2 3.0 ! A.1282 at 1.56e+06 ! L186 assign (resid 186 and name HB# ) (resid 187 and name HN ) 4.0 2.2 2.0 ! B.4781 at 7.29e-02 assign (resid 186 and name HD1# ) (resid 187 and name HN ) 4.0 2.2 2.0 ! A.7068 at 1.27e+06 assign (resid 186 and name HA ) (resid 187 and name HN ) 5.0 3.2 1.0 ! B.4779 at 2.10e-02 assign (resid 186 and name HN ) (resid 187 and name HN ) 5.0 3.2 1.0 ! A.954 at 6.18e+05 assign (resid 186 and name HD2# ) (resid 187 and name HN ) 5.0 3.2 2.0 ! B.1884 at 4.03e-02 assign (resid 186 and name HG ) (resid 187 and name HA ) 5.0 3.2 1.0 ! A.2155 at 4.92e+05 assign (resid 186 and name HA ) (resid 189 and name HN ) 4.0 2.2 1.0 ! B.5482 at 7.39e-02 assign (resid 186 and name HA ) (resid 190 and name HN ) 5.0 3.2 1.0 ! B.4804 at 2.82e-02 assign (resid 186 and name HD1# ) (resid 190 and name HD1) 4.0 2.2 2.0 ! A.62 at 1.41e+06 assign (resid 186 and name HA ) (resid 190 and name HB# ) 4.0 2.2 2.0 ! A.1892 at 1.18e+06 assign (resid 186 and name HD1# ) (resid 190 and name HB# ) 3.0 1.2 2.3 ! A.2130 at 4.11e+06 assign (resid 186 and name HB# ) (resid 190 and name HA ) 5.0 3.2 2.0 ! A.900 at 9.51e+05 assign (resid 186 and name HD2# ) (resid 191 and name HN ) 5.0 3.2 2.0 ! B.4814 at 6.58e-02 assign (resid 186 and name HD2# ) (resid 213 and name HD1# ) 3.0 1.2 2.3 ! A.952 at 1.22e+06 assign (resid 186 and name HG ) (resid 213 and name HD1# ) 4.0 2.2 2.0 ! A.2501 at 5.64e+05 assign (resid 186 and name HA ) (resid 213 and name HD2# ) 4.0 2.2 2.0 ! A.962 at 6.18e+05 assign (resid 186 and name HD2# ) (resid 213 and name HD2# ) 3.0 1.2 2.3 ! A.966 at 1.64e+06 assign (resid 186 and name HA ) (resid 213 and name HD1# ) 4.0 2.2 2.0 ! A.1602 at 2.54e+06 assign (resid 186 and name HA ) (resid 213 and name HB2 ) 5.0 3.2 1.0 ! A.1603 at 9.37e+05 assign (resid 186 and name HN ) (resid 214 and name HG1# ) 4.0 2.2 2.0 ! B.4771 at 7.56e-02 assign (resid 186 and name HD2# ) (resid 214 and name HN ) 3.0 1.2 1.5 ! A.7395 at 2.21e+06 assign (resid 186 and name HB# ) (resid 214 and name HD1# ) 4.0 2.2 3.0 ! A.927 at 1.29e+06 ! E187 assign (resid 187 and name HN ) (resid 188 and name HN ) 3.0 1.2 0.5 ! B.1580 at 1.74e-01 assign (resid 187 and name HA ) (resid 188 and name HN ) 4.0 2.2 1.0 ! B.1560 at 7.58e-02 assign (resid 187 and name HB# ) (resid 188 and name HN ) 3.0 1.2 1.5 ! B.4787 at 1.64e-01 assign (resid 187 and name HG# ) (resid 188 and name HN ) 5.0 3.2 2.0 ! B.5392 at 5.59e-02 assign (resid 187 and name HN ) (resid 189 and name HN ) 5.0 3.2 1.0 ! B.4792 at 3.59e-02 assign (resid 187 and name HA ) (resid 190 and name HN ) 5.0 3.2 1.0 ! B.5395 at 3.70e-02 assign (resid 187 and name HN ) (resid 190 and name HN ) 5.0 3.2 1.0 ! B.5580 at 6.62e-02 ! N188 assign (resid 188 and name HN ) (resid 189 and name HN ) 3.0 1.2 0.5 ! B.1547 at 1.99e-01 assign (resid 188 and name HB1 ) (resid 189 and name HN ) 4.0 2.2 1.0 ! B.4795 at 1.11e-01 assign (resid 188 and name HA ) (resid 189 and name HN ) 5.0 3.2 1.0 ! B.3274 at 5.51e-02 assign (resid 188 and name HN ) (resid 190 and name HN ) 5.0 3.2 1.0 ! B.3251 at 2.81e-02 ! Q189 assign (resid 189 and name HN ) (resid 190 and name HN ) 4.0 2.2 1.0 ! B.2790 at 1.28e-01 assign (resid 189 and name HB2 ) (resid 190 and name HN ) 5.0 3.2 1.0 ! B.4805 at 2.82e-02 assign (resid 189 and name HA ) (resid 190 and name HN ) 4.0 2.2 1.0 ! A.26 at 2.65e+06 assign (resid 189 and name HA ) (resid 191 and name HN ) 5.0 3.2 1.0 ! B.1436 at 3.57e-02 assign (resid 189 and name HN ) (resid 191 and name HN ) 5.0 3.2 1.0 ! B.4806 at 1.92e-02 assign (resid 189 and name HA ) (resid 192 and name HN ) 5.0 3.2 1.0 ! B.92 at 5.28e-02 assign (resid 189 and name HA ) (resid 192 and name HB# ) 4.0 2.2 2.0 ! A.28 at 2.68e+06 assign (resid 189 and name HB1 ) (resid 192 and name HB# ) 4.0 2.2 2.0 ! A.2729 at 1.89e+06 assign (resid 189 and name HA ) (resid 193 and name HN ) 5.0 3.2 1.0 ! B.4820 at 2.20e-02 assign (resid 189 and name HA ) (resid 211 and name HG1# ) 5.0 3.2 2.0 ! A.337 at 1.09e+06 assign (resid 189 and name HB1 ) (resid 211 and name HG1# ) 5.0 3.2 2.0 ! A.1595 at 1.31e+06 assign (resid 189 and name HB# ) (resid 213 and name HB# ) 4.0 2.2 3.0 ! A.4243 at 1.14e+06 assign (resid 189 and name HB1 ) (resid 213 and name HD2# ) 5.0 3.2 2.0 ! A.1596 at 1.41e+06 ! W190 assign (resid 190 and name HN ) (resid 191 and name HN ) 5.0 3.2 1.0 ! A.93 at 6.25e+05 assign (resid 190 and name HZ ) (resid 191 and name HN ) 5.0 3.2 1.0 ! B.5512 at 2.50e-02 assign (resid 190 and name HE) (resid 191 and name HB# ) 4.0 2.2 2.0 ! A.808 at 2.26e+06 assign (resid 190 and name HA ) (resid 193 and name HN ) 5.0 3.2 1.0 ! B.3115 at 2.35e-02 assign (resid 190 and name HD1) (resid 235 and name HD1# ) 4.0 2.2 2.0 ! A.55 at 2.47e+06 assign (resid 190 and name HZ2 ) (resid 237 and name HD1# ) 5.0 3.2 2.0 ! A.370 at 1.47e+06 assign (resid 190 and name HA ) (resid 238 and name HD2# ) 4.0 2.2 2.0 ! A.7191 at 1.52e+06 assign (resid 190 and name HZ2 ) (resid 238 and name HD2# ) 5.0 3.2 2.0 ! A.372 at 1.65e+06 assign (resid 190 and name HZ2 ) (resid 239 and name HN ) 3.0 1.2 0.5 ! B.5098 at 1.83e-01 assign (resid 190 and name HH2 ) (resid 239 and name HD1# ) 4.0 2.2 2.0 ! A.65 at 1.32e+06 assign (resid 190 and name HZ ) (resid 239 and name HD1# ) 4.0 2.2 2.0 ! A.798 at 1.14e+06 assign (resid 190 and name HZ2 ) (resid 239 and name HA ) 5.0 3.2 1.0 ! A.373 at 8.38e+05 ! S191 assign (resid 191 and name HB# ) (resid 192 and name HN ) 5.0 3.2 2.0 ! B.95 at 6.22e-02 assign (resid 191 and name HA ) (resid 192 and name HN ) 5.0 3.2 1.0 ! B.2696 at 2.16e-02 assign (resid 191 and name HN ) (resid 192 and name HN ) 2.5 0.7 0.4 ! B.4807 at 3.54e-01 assign (resid 191 and name HN ) (resid 192 and name HB# ) 5.0 3.2 2.0 ! B.4813 at 5.11e-02 assign (resid 191 and name HA ) (resid 194 and name HN ) 4.0 2.2 1.0 ! B.4827 at 1.30e-01 assign (resid 191 and name HA ) (resid 195 and name HN ) 5.0 3.2 1.0 ! B.230 at 6.81e-02 assign (resid 191 and name HA ) (resid 239 and name HN ) 4.0 2.2 1.0 ! B.5101 at 2.99e-01 assign (resid 191 and name HB# ) (resid 239 and name HD2# ) 4.0 2.2 3.0 ! A.1371 at 2.80e+06 assign (resid 191 and name HA ) (resid 239 and name HD2# ) 4.0 2.2 2.0 ! A.1391 at 2.75e+06 ! A192 assign (resid 192 and name HN ) (resid 193 and name HN ) 4.0 2.2 1.0 ! B.89 at 1.05e-01 assign (resid 192 and name HB# ) (resid 193 and name HN ) 2.5 0.7 1.4 ! B.1238 at 2.23e-01 assign (resid 192 and name HA ) (resid 193 and name HN ) 5.0 3.2 1.0 ! B.1230 at 3.64e-02 assign (resid 192 and name HB# ) (resid 193 and name HB# ) 4.0 2.2 3.0 ! A.5318 at 1.50e+06 assign (resid 192 and name HN ) (resid 194 and name HN ) 5.0 3.2 1.0 ! B.4825 at 5.22e-02 assign (resid 192 and name HN ) (resid 195 and name HN ) 5.0 3.2 1.0 ! B.90 at 2.65e-02 assign (resid 192 and name HA ) (resid 195 and name HN ) 4.0 2.2 1.0 ! B.228 at 8.35e-02 assign (resid 192 and name HA ) (resid 195 and name HB1 ) 5.0 3.2 1.0 ! A.1839 at 1.57e+06 assign (resid 192 and name HA ) (resid 196 and name HN ) 5.0 3.2 1.0 ! B.3279 at 9.42e-03 assign (resid 192 and name HB# ) (resid 211 and name HG* ) 2.5 0.7 3.2 ! A.244 at 2.19e+06 ! L193 assign (resid 193 and name HN ) (resid 194 and name HB# ) 5.0 3.2 2.0 ! B.4822 at 2.69e-02 assign (resid 193 and name HN ) (resid 194 and name HN ) 3.0 1.2 0.5 ! B.1221 at 1.56e-01 assign (resid 193 and name HB# ) (resid 194 and name HN ) 4.0 2.2 2.0 ! B.1773 at 1.16e-01 assign (resid 193 and name HA ) (resid 194 and name HN ) 3.0 1.2 0.5 ! B.5402 at 1.52e-01 assign (resid 193 and name HA ) (resid 196 and name HN ) 5.0 3.2 1.0 ! B.5574 at 2.91e-02 assign (resid 193 and name HA ) (resid 197 and name HN ) 5.0 3.2 1.0 ! B.5575 at 6.46e-02 assign (resid 193 and name HD2# ) (resid 207 and name HE# ) 4.0 2.2 4.4 ! A.123 at 1.96e+06 assign (resid 193 and name HD2# ) (resid 207 and name HZ ) 3.0 1.2 1.3 ! A.7282 at 2.84e+06 assign (resid 193 and name HG ) (resid 207 and name HE# ) 4.0 2.2 3.4 ! A.778 at 1.18e+06 assign (resid 193 and name HG ) (resid 207 and name HZ ) 5.0 3.2 1.0 ! A.790 at 8.82e+05 assign (resid 193 and name HN ) (resid 211 and name HG* ) 4.0 2.2 3.0 ! B.4824 at 1.31e-01 assign (resid 193 and name HB# ) (resid 211 and name HG1# ) 4.0 2.2 3.0 ! A.1010 at 2.21e+06 assign (resid 193 and name HD1# ) (resid 213 and name HG ) 5.0 3.2 2.0 ! A.957 at 5.33e+05 assign (resid 193 and name HD1# ) (resid 213 and name HD1# ) 4.0 2.2 3.0 ! A.1168 at 5.17e+05 assign (resid 193 and name HD1# ) (resid 213 and name HD2# ) 3.0 1.2 2.3 ! A.965 at 1.29e+06 assign (resid 193 and name HD2# ) (resid 235 and name HB ) 4.0 2.2 2.0 ! A.6520 at 1.50e+06 assign (resid 193 and name HD2# ) (resid 235 and name HD1# ) 4.0 2.2 3.0 ! A.1160 at 6.74e+05 ! S194 assign (resid 194 and name HA ) (resid 195 and name HN ) 5.0 3.2 1.0 ! B.5566 at 4.45e-02 assign (resid 194 and name HN ) (resid 195 and name HN ) 3.0 1.2 0.5 ! B.5554 at 1.01e+00 assign (resid 194 and name HB# ) (resid 195 and name HN ) 5.0 3.2 2.0 ! B.4834 at 5.49e-02 assign (resid 194 and name HA ) (resid 197 and name HN ) 4.0 2.2 1.0 ! B.5681 at 8.03e-02 assign (resid 194 and name HA ) (resid 197 and name HD1# ) 3.0 1.2 1.3 ! A.6248 at 1.97e+06 assign (resid 194 and name HA ) (resid 197 and name HG2# ) 4.0 2.2 2.0 ! A.6297 at 1.37e+06 assign (resid 194 and name HA ) (resid 197 and name HB ) 4.0 2.2 1.0 ! A.1586 at 1.36e+06 assign (resid 194 and name HN ) (resid 235 and name HD1# ) 5.0 3.2 2.0 ! B.5631 at 5.68e-02 assign (resid 194 and name HA ) (resid 235 and name HG2# ) 4.0 2.2 2.0 ! A.6290 at 1.64e+06 assign (resid 194 and name HA ) (resid 235 and name HD1# ) 4.0 2.2 2.0 ! A.5933 at 9.88e+05 assign (resid 194 and name HN ) (resid 238 and name HD2# ) 4.0 2.2 2.0 ! B.4831 at 7.21e-02 assign (resid 194 and name HA ) (resid 238 and name HD2# ) 2.5 0.7 1.2 ! A.7202 at 4.59e+06 assign (resid 194 and name HB# ) (resid 239 and name HN ) 4.0 2.2 2.0 ! B.5699 at 1.20e-01 assign (resid 194 and name HA ) (resid 239 and name HN ) 4.0 2.2 1.0 ! B.5099 at 1.32e-01 assign (resid 194 and name HN ) (resid 239 and name HN ) 5.0 3.2 1.0 ! B.3316 at 6.10e-02 ! K195 assign (resid 195 and name HN ) (resid 196 and name HN ) 4.0 2.2 1.0 ! B.4833 at 1.22e-01 assign (resid 195 and name HA ) (resid 196 and name HN ) 5.0 3.2 1.0 ! B.5573 at 2.91e-02 assign (resid 195 and name HB1 ) (resid 196 and name HN ) 5.0 3.2 1.0 ! B.3917 at 6.86e-02 assign (resid 195 and name HN ) (resid 197 and name HB ) 5.0 3.2 1.0 ! B.5633 at 3.97e-02 assign (resid 195 and name HN ) (resid 238 and name HB1 ) 5.0 3.2 1.0 ! B.5570 at 6.92e-02 assign (resid 195 and name HB1 ) (resid 239 and name HG ) 4.0 2.2 1.0 ! A.535 at 7.66e+05 ! Q196 assign (resid 196 and name HN ) (resid 197 and name HN ) 3.0 1.2 0.5 ! B.4838 at 1.50e-01 assign (resid 196 and name HA ) (resid 197 and name HN ) 5.0 3.2 1.0 ! B.3041 at 6.57e-02 assign (resid 196 and name HA ) (resid 199 and name HG ) 4.0 2.2 1.0 ! A.1716 at 1.90e+06 assign (resid 196 and name HA ) (resid 199 and name HD1# ) 3.0 1.2 1.3 ! A.7081 at 1.72e+06 assign (resid 196 and name HA ) (resid 199 and name HB2 ) 5.0 3.2 1.0 ! A.1730 at 1.51e+06 assign (resid 196 and name HA ) (resid 208 and name HB2 ) 5.0 3.2 1.0 ! A.1470 at 1.42e+06 ! I197 assign (resid 197 and name HN ) (resid 198 and name HN ) 4.0 2.2 1.0 ! B.4839 at 1.38e-01 assign (resid 197 and name HA ) (resid 198 and name HN ) 5.0 3.2 1.0 ! B.5274 at 5.09e-02 assign (resid 197 and name HB ) (resid 198 and name HN ) 4.0 2.2 1.0 ! B.5483 at 1.33e-01 assign (resid 197 and name HG2# ) (resid 198 and name HB# ) 5.0 3.2 3.0 ! A.849 at 1.44e+06 assign (resid 197 and name HG2# ) (resid 198 and name HA ) 3.0 1.2 1.3 ! A.1354 at 6.16e+06 assign (resid 197 and name HA ) (resid 200 and name HN ) 5.0 3.2 1.0 ! B.501 at 5.66e-02 assign (resid 197 and name HA ) (resid 200 and name HB# ) 4.0 2.2 2.0 ! A.1131 at 2.85e+06 assign (resid 197 and name HD1# ) (resid 200 and name HB# ) 3.0 1.2 2.3 ! A.2796 at 1.04e+06 assign (resid 197 and name HD1# ) (resid 207 and name HE# ) 2.5 0.7 3.6 ! A.7679 at 3.14e+06 assign (resid 197 and name HA ) (resid 207 and name HD# ) 4.0 2.2 3.4 ! A.1305 at 1.49e+06 assign (resid 197 and name HA ) (resid 207 and name HE# ) 4.0 2.2 3.4 ! A.1304 at 2.28e+06 assign (resid 197 and name HD1# ) (resid 226 and name HG1# ) 3.0 1.2 2.3 ! A.742 at 1.18e+06 assign (resid 197 and name HA ) (resid 226 and name HG1# ) 4.0 2.2 2.0 ! A.1319 at 2.98e+06 assign (resid 197 and name HG2# ) (resid 231 and name HG* ) 3.0 1.2 3.3 ! A.1723 at 1.81e+06 assign (resid 197 and name HD1# ) (resid 235 and name HG1# ) 2.5 0.7 2.2 ! A.6099 at 3.45e+06 assign (resid 197 and name HG2# ) (resid 235 and name HG2# ) 3.0 1.2 2.3 ! A.626 at 1.47e+06 assign (resid 197 and name HG2# ) (resid 235 and name HD1# ) 3.0 1.2 2.3 ! A.1127 at 1.03e+06 ! F198 assign (resid 198 and name HN ) (resid 199 and name HN ) 3.0 1.2 0.5 ! B.5577 at 2.03e-01 assign (resid 198 and name HB# ) (resid 199 and name HN ) 4.0 2.2 2.0 ! B.1065 at 8.49e-02 assign (resid 198 and name HN ) (resid 199 and name HB2 ) 5.0 3.2 1.0 ! B.4843 at 6.54e-02 assign (resid 198 and name HB# ) (resid 199 and name HG ) 4.0 2.2 2.0 ! A.2160 at 2.41e+06 assign (resid 198 and name HA ) (resid 201 and name HN ) 5.0 3.2 1.0 ! B.5410 at 5.04e-02 assign (resid 198 and name HE# ) (resid 238 and name HD2# ) 4.0 2.2 4.4 ! A.43 at 4.01e+06 ! L199 assign (resid 199 and name HN ) (resid 200 and name HN ) 3.0 1.2 0.5 ! B.4857 at 1.66e-01 assign (resid 199 and name HB2 ) (resid 200 and name HN ) 4.0 2.2 1.0 ! B.4863 at 8.16e-02 assign (resid 199 and name HA ) (resid 200 and name HN ) 4.0 2.2 1.0 ! B.4860 at 7.38e-02 assign (resid 199 and name HD1# ) (resid 200 and name HN ) 5.0 3.2 2.0 ! B.4865 at 4.34e-02 assign (resid 199 and name HA ) (resid 202 and name HN ) 5.0 3.2 1.0 ! B.5412 at 2.03e-02 assign (resid 199 and name HB1 ) (resid 202 and name HN ) 5.0 3.2 1.0 ! B.4878 at 1.96e-02 assign (resid 199 and name HB1 ) (resid 203 and name HG# ) 4.0 2.2 2.0 ! A.782 at 2.35e+06 assign (resid 199 and name HB1 ) (resid 208 and name HN ) 5.0 3.2 1.0 ! B.5420 at 5.66e-02 assign (resid 199 and name HD1# ) (resid 208 and name HN ) 5.0 3.2 2.0 ! B.5421 at 4.51e-02 assign (resid 199 and name HD1# ) (resid 208 and name HD# ) 4.0 2.2 3.0 ! A.2123 at -9.46e+05 assign (resid 199 and name HD1# ) (resid 208 and name HB1 ) 4.0 2.2 2.0 ! A.1459 at 2.39e+06 assign (resid 199 and name HD1# ) (resid 208 and name HB2 ) 3.0 1.2 1.3 ! A.6794 at 2.53e+06 ! A200 assign (resid 200 and name HN ) (resid 201 and name HN ) 3.0 1.2 0.5 ! B.4858 at 1.46e-01 assign (resid 200 and name HB# ) (resid 201 and name HN ) 4.0 2.2 2.0 ! B.4870 at 8.43e-02 assign (resid 200 and name HA ) (resid 201 and name HN ) 5.0 3.2 1.0 ! B.1595 at 4.52e-02 assign (resid 200 and name HN ) (resid 201 and name HG# ) 5.0 3.2 2.0 ! B.4862 at 3.07e-02 assign (resid 200 and name HB# ) (resid 201 and name HG# ) 5.0 3.2 3.0 ! A.2188 at 8.75e+05 assign (resid 200 and name HA ) (resid 202 and name HN ) 5.0 3.2 1.0 ! B.1712 at 3.07e-02 assign (resid 200 and name HB# ) (resid 203 and name HN ) 5.0 3.2 2.0 ! B.4883 at 2.01e-02 assign (resid 200 and name HA ) (resid 203 and name HN ) 5.0 3.2 1.0 ! B.4880 at 4.74e-02 assign (resid 200 and name HA ) (resid 203 and name HG# ) 5.0 3.2 2.0 ! A.1259 at 1.55e+06 assign (resid 200 and name HA ) (resid 203 and name HB# ) 3.0 1.2 1.3 ! A.1318 at 2.02e+06 assign (resid 200 and name HB# ) (resid 203 and name HB2 ) 3.0 1.2 1.3 ! A.7668 at 1.88e+06 assign (resid 200 and name HA ) (resid 203 and name HB1 ) 5.0 3.2 1.0 ! A.1561 at 1.68e+06 assign (resid 200 and name HA ) (resid 203 and name HB2 ) 4.0 2.2 1.0 ! A.1564 at 2.45e+06 assign (resid 200 and name HB# ) (resid 205 and name HN ) 3.0 1.2 1.5 ! B.3692 at 1.46e-01 assign (resid 200 and name HB# ) (resid 205 and name HA# ) 5.0 3.2 3.0 ! A.683 at 3.28e+06 assign (resid 200 and name HA ) (resid 206 and name HN ) 5.0 3.2 1.0 ! B.800 at 2.26e-02 assign (resid 200 and name HB# ) (resid 206 and name HN ) 5.0 3.2 2.0 ! B.815 at 4.04e-02 assign (resid 200 and name HB# ) (resid 207 and name HA ) 4.0 2.2 2.0 ! A.607 at 7.05e+05 assign (resid 200 and name HB# ) (resid 207 and name HD# ) 3.0 1.2 3.7 ! A.2737 at 3.51e+06 assign (resid 200 and name HB# ) (resid 207 and name HE# ) 5.0 3.2 4.4 ! A.103 at -4.06e+05 assign (resid 200 and name HN ) (resid 226 and name HG1# ) 5.0 3.2 2.0 ! B.5409 at 2.54e-02 assign (resid 200 and name HB# ) (resid 226 and name HN ) 5.0 3.2 2.0 ! B.5736 at 2.17e-02 assign (resid 200 and name HB# ) (resid 226 and name HG2# ) 5.0 3.2 3.0 ! A.2208 at 1.30e+06 assign (resid 200 and name HB# ) (resid 226 and name HG1# ) 3.0 1.2 2.3 ! A.2060 at 9.81e+06 assign (resid 200 and name HB# ) (resid 231 and name HG1# ) 3.0 1.2 2.3 ! A.550 at 2.45e+06 ! Q201 assign (resid 201 and name HN ) (resid 202 and name HN ) 4.0 2.2 1.0 ! B.1591 at 1.05e-01 assign (resid 201 and name HG# ) (resid 202 and name HN ) 5.0 3.2 2.0 ! B.5634 at 3.22e-02 assign (resid 201 and name HA ) (resid 202 and name HN ) 5.0 3.2 1.0 ! B.1718 at 5.79e-02 assign (resid 201 and name HB2 ) (resid 202 and name HN ) 5.0 3.2 1.0 ! B.4877 at 6.14e-02 assign (resid 201 and name HN ) (resid 203 and name HN ) 5.0 3.2 1.0 ! B.4866 at 3.13e-02 assign (resid 201 and name HA ) (resid 205 and name HN ) 5.0 3.2 1.0 ! B.5418 at 5.58e-02 ! N202 assign (resid 202 and name HA ) (resid 203 and name HN ) 4.0 2.2 1.0 ! A.378 at 3.52e+06 assign (resid 202 and name HN ) (resid 203 and name HN ) 3.0 1.2 0.5 ! B.1150 at 1.67e-01 assign (resid 202 and name HB# ) (resid 203 and name HN ) 5.0 3.2 2.0 ! B.3099 at 2.00e-02 assign (resid 202 and name HN ) (resid 203 and name HG# ) 5.0 3.2 2.0 ! B.5413 at 3.22e-02 assign (resid 202 and name HB2 ) (resid 203 and name HG# ) 4.0 2.2 2.0 ! A.6625 at 1.33e+06 assign (resid 202 and name HA ) (resid 204 and name HN ) 5.0 3.2 1.0 ! B.5416 at 3.87e-02 assign (resid 202 and name HN ) (resid 204 and name HN ) 5.0 3.2 1.0 ! B.3507 at 4.16e-02 ! Q203 assign (resid 203 and name HN ) (resid 204 and name HN ) 4.0 2.2 1.0 ! B.4879 at 1.06e-01 assign (resid 203 and name HA ) (resid 204 and name HN ) 3.0 1.2 0.5 ! B.4886 at 2.43e-01 assign (resid 203 and name HB2 ) (resid 204 and name HN ) 5.0 3.2 1.0 ! B.5417 at 2.52e-02 assign (resid 203 and name HN ) (resid 205 and name HN ) 3.0 1.2 0.5 ! B.3698 at 1.74e-01 assign (resid 203 and name HG# ) (resid 206 and name HN ) 5.0 3.2 2.0 ! B.4891 at 4.04e-02 assign (resid 203 and name HB2 ) (resid 206 and name HN ) 5.0 3.2 1.0 ! B.816 at 3.51e-02 assign (resid 203 and name HG# ) (resid 206 and name HB2 ) 4.0 2.2 2.0 ! A.6638 at 1.38e+06 assign (resid 203 and name HB# ) (resid 206 and name HB# ) 4.0 2.2 3.0 ! A.3804 at 1.28e+06 ! G204 assign (resid 204 and name HA# ) (resid 205 and name HN ) 5.0 3.2 2.0 ! A.425 at 1.29e+06 assign (resid 204 and name HN ) (resid 205 and name HN ) 3.0 1.2 0.5 ! B.3699 at 1.42e-01 assign (resid 204 and name HA# ) (resid 206 and name HN ) 5.0 3.2 2.0 ! B.2960 at 1.64e-02 assign (resid 204 and name HN ) (resid 206 and name HN ) 5.0 3.2 1.0 ! B.3506 at 3.42e-02 ! G205 assign (resid 205 and name HN ) (resid 206 and name HN ) 2.5 0.7 0.4 ! B.3696 at 4.01e-01 assign (resid 205 and name HN ) (resid 206 and name HB# ) 5.0 3.2 2.0 ! B.3693 at 5.14e-02 assign (resid 205 and name HA# ) (resid 206 and name HN ) 5.0 3.2 2.0 ! B.802 at 4.18e-02 assign (resid 205 and name HN ) (resid 206 and name HB2 ) 5.0 3.2 1.0 ! B.3693 at 5.14e-02 assign (resid 205 and name HN ) (resid 226 and name HG1# ) 5.0 3.2 2.0 ! B.3694 at 6.62e-02 assign (resid 205 and name HN ) (resid 226 and name HG2# ) 4.0 2.2 2.0 ! B.3695 at 7.86e-02 assign (resid 205 and name HA# ) (resid 226 and name HN ) 4.0 2.2 2.0 ! B.5442 at 9.03e-02 assign (resid 205 and name HA# ) (resid 226 and name HG2# ) 4.0 2.2 3.0 ! A.2229 at 2.28e+06 assign (resid 205 and name HA# ) (resid 226 and name HG1# ) 4.0 2.2 3.0 ! A.663 at 1.92e+06 assign (resid 205 and name HA# ) (resid 226 and name HB ) 5.0 3.2 2.0 ! A.1680 at 1.10e+06 ! K206 assign (resid 206 and name HB# ) (resid 207 and name HN ) 4.0 2.2 2.0 ! B.4901 at 1.24e-01 assign (resid 206 and name HN ) (resid 207 and name HN ) 5.0 3.2 1.0 ! B.4896 at 5.10e-02 assign (resid 206 and name HA ) (resid 207 and name HN ) 2.5 0.7 0.4 ! B.4899 at 4.67e-01 assign (resid 206 and name HB2 ) (resid 207 and name HN ) 4.0 2.2 1.0 ! B.4901 at 1.24e-01 assign (resid 206 and name HG# ) (resid 208 and name HA ) 4.0 2.2 2.0 ! A.296 at 7.08e+05 assign (resid 206 and name HE# ) (resid 210 and name HB# ) 3.0 1.2 2.3 ! A.1041 at -1.25e+06 assign (resid 206 and name HE# ) (resid 224 and name HG2# ) 4.0 2.2 3.0 ! A.2019 at 2.40e+06 assign (resid 206 and name HD# ) (resid 224 and name HA ) 4.0 2.2 2.0 ! A.1697 at 1.52e+06 assign (resid 206 and name HN ) (resid 225 and name HA ) 5.0 3.2 1.0 ! B.2961 at 8.82e-03 assign (resid 206 and name HB2 ) (resid 225 and name HB# ) 4.0 2.2 2.0 ! A.6650 at 9.73e+05 assign (resid 206 and name HD# ) (resid 225 and name HB# ) 3.0 1.2 2.3 ! A.6878 at 1.66e+06 assign (resid 206 and name HA ) (resid 225 and name HA ) 4.0 2.2 1.0 ! A.753 at -9.87e+05 assign (resid 206 and name HA ) (resid 225 and name HB# ) 4.0 2.2 2.0 ! A.2768 at -5.84e+05 assign (resid 206 and name HN ) (resid 226 and name HG2# ) 5.0 3.2 2.0 ! B.811 at 1.53e-02 assign (resid 206 and name HN ) (resid 226 and name HN ) 5.0 3.2 1.0 ! B.4890 at 1.42e-02 ! F207 assign (resid 207 and name HB2 ) (resid 208 and name HN ) 4.0 2.2 1.0 ! B.4907 at 9.03e-02 assign (resid 207 and name HB1 ) (resid 208 and name HN ) 3.0 1.2 0.5 ! B.5479 at 1.49e-01 assign (resid 207 and name HD# ) (resid 208 and name HN ) 3.0 1.2 2.9 ! B.4903 at 1.63e-01 assign (resid 207 and name HA ) (resid 208 and name HN ) 2.5 0.7 0.4 ! B.4904 at 5.10e-01 assign (resid 207 and name HN ) (resid 208 and name HN ) 5.0 3.2 1.0 ! B.4894 at 2.56e-02 assign (resid 207 and name HB1 ) (resid 208 and name HG# ) 4.0 2.2 2.0 ! A.620 at 1.31e+06 assign (resid 207 and name HB1 ) (resid 208 and name HB2 ) 5.0 3.2 1.0 ! A.1081 at 1.45e+06 assign (resid 207 and name HN ) (resid 209 and name HN ) 5.0 3.2 1.0 ! B.4895 at 2.79e-02 assign (resid 207 and name HB1 ) (resid 209 and name HN ) 4.0 2.2 1.0 ! B.5422 at 1.06e-01 assign (resid 207 and name HB2 ) (resid 209 and name HN ) 4.0 2.2 1.0 ! B.4915 at 1.08e-01 assign (resid 207 and name HA ) (resid 209 and name HN ) 5.0 3.2 1.0 ! B.1624 at 5.01e-02 assign (resid 207 and name HD# ) (resid 209 and name HN ) 4.0 2.2 3.4 ! B.4914 at 7.66e-02 assign (resid 207 and name HD# ) (resid 210 and name HA ) 4.0 2.2 3.4 ! A.6707 at 1.20e+06 assign (resid 207 and name HD# ) (resid 210 and name HB# ) 4.0 2.2 4.4 ! A.122 at 1.82e+06 assign (resid 207 and name HD# ) (resid 211 and name HN ) 4.0 2.2 3.4 ! B.4919 at 9.89e-02 assign (resid 207 and name HE# ) (resid 211 and name HN ) 5.0 3.2 3.4 ! B.4920 at 5.46e-02 assign (resid 207 and name HD# ) (resid 211 and name HG2# ) 3.0 1.2 3.7 ! A.774 at 3.54e+06 assign (resid 207 and name HE# ) (resid 211 and name HB ) 5.0 3.2 3.4 ! A.1345 at 8.61e+05 assign (resid 207 and name HE# ) (resid 223 and name HB ) 4.0 2.2 3.4 ! A.6648 at 1.19e+06 assign (resid 207 and name HD# ) (resid 223 and name HG1# ) 2.5 0.7 3.6 ! A.7298 at 3.07e+06 assign (resid 207 and name HE# ) (resid 223 and name HG1# ) 4.0 2.2 4.4 ! A.775 at 3.08e+06 assign (resid 207 and name HN ) (resid 224 and name HA ) 5.0 3.2 1.0 ! B.5682 at 4.37e-02 assign (resid 207 and name HD# ) (resid 224 and name HA ) 4.0 2.2 3.4 ! A.6780 at 1.21e+06 assign (resid 207 and name HB2 ) (resid 224 and name HB ) 4.0 2.2 1.0 ! A.1293 at 3.06e+06 assign (resid 207 and name HB2 ) (resid 224 and name HA ) 4.0 2.2 1.0 ! A.1698 at 1.44e+06 assign (resid 207 and name HN ) (resid 225 and name HB# ) 3.0 1.2 1.5 ! B.544 at 2.20e-01 assign (resid 207 and name HN ) (resid 225 and name HA ) 3.0 1.2 0.5 ! B.4898 at 1.68e-01 assign (resid 207 and name HE# ) (resid 226 and name HN ) 5.0 3.2 3.4 ! B.5010 at 5.56e-02 assign (resid 207 and name HE# ) (resid 226 and name HG1# ) 4.0 2.2 4.4 ! A.776 at 1.40e+06 assign (resid 207 and name HE# ) (resid 227 and name HN ) 5.0 3.2 3.4 ! B.4708 at 2.68e-02 assign (resid 207 and name HE# ) (resid 231 and name HG1# ) 3.0 1.2 3.7 ! A.7366 at 1.99e+06 assign (resid 207 and name HZ ) (resid 231 and name HG2# ) 2.5 0.7 1.2 ! A.7365 at 3.19e+06 ! R208 assign (resid 208 and name HN ) (resid 209 and name HN ) 2.5 0.7 0.4 ! B.4902 at 3.15e-01 assign (resid 208 and name HB1 ) (resid 209 and name HN ) 4.0 2.2 1.0 ! B.1644 at 1.13e-01 assign (resid 208 and name HA ) (resid 209 and name HN ) 5.0 3.2 1.0 ! B.1628 at 4.96e-02 assign (resid 208 and name HB2 ) (resid 209 and name HN ) 4.0 2.2 1.0 ! B.1645 at 7.72e-02 assign (resid 208 and name HG# ) (resid 209 and name HN ) 5.0 3.2 2.0 ! B.4916 at 2.26e-02 ! N209 assign (resid 209 and name HN ) (resid 210 and name HD# ) 5.0 3.2 2.0 ! B.3261 at 1.61e-02 assign (resid 209 and name HB2 ) (resid 210 and name HD# ) 4.0 2.2 2.0 ! A.1105 at 1.75e+06 assign (resid 209 and name HA ) (resid 210 and name HD# ) 4.0 2.2 1.3 ! A.2127 at 6.18e+06 assign (resid 209 and name HB1 ) (resid 210 and name HD# ) 4.0 2.2 2.0 ! A.804 at 1.94e+06 assign (resid 209 and name HA ) (resid 210 and name HG# ) 5.0 3.2 2.0 ! A.412 at 8.43e+05 ! P210 assign (resid 210 and name HA ) (resid 211 and name HN ) 2.5 0.7 0.4 ! B.4922 at 3.93e-01 assign (resid 210 and name HB# ) (resid 211 and name HN ) 3.0 1.2 1.5 ! B.5425 at 1.96e-01 assign (resid 210 and name HA ) (resid 211 and name HG2# ) 4.0 2.2 2.0 ! A.6725 at 1.29e+06 assign (resid 210 and name HB# ) (resid 211 and name HA ) 4.0 2.2 2.0 ! A.2830 at 5.65e+05 assign (resid 210 and name HB# ) (resid 222 and name HG# ) 5.0 3.2 3.0 ! A.1303 at 1.17e+06 assign (resid 210 and name HB# ) (resid 223 and name HN ) 5.0 3.2 2.0 ! B.4994 at 3.63e-02 assign (resid 210 and name HA ) (resid 223 and name HN ) 5.0 3.2 1.0 ! B.4992 at 5.62e-02 assign (resid 210 and name HB# ) (resid 224 and name HB ) 3.0 1.2 1.3 ! A.1499 at 4.69e+06 assign (resid 210 and name HB# ) (resid 224 and name HG2# ) 4.0 2.2 3.0 ! A.1005 at 6.60e+05 assign (resid 210 and name HA ) (resid 224 and name HG2# ) 5.0 3.2 2.0 ! A.1330 at 1.32e+06 assign (resid 210 and name HG# ) (resid 224 and name HG2# ) 4.0 2.2 3.0 ! A.1008 at 8.49e+05 assign (resid 210 and name HA ) (resid 224 and name HA ) 2.5 0.7 0.2 ! A.1669 at 8.60e+06 assign (resid 210 and name HG# ) (resid 224 and name HA ) 4.0 2.2 2.0 ! A.1699 at 1.70e+06 assign (resid 210 and name HB# ) (resid 224 and name HA ) 4.0 2.2 2.0 ! A.1438 at 2.07e+06 ! V211 assign (resid 211 and name HB ) (resid 212 and name HN ) 5.0 3.2 1.0 ! B.4928 at 1.67e-02 assign (resid 211 and name HG* ) (resid 212 and name HN ) 2.5 0.7 2.4 ! B.4929 at 2.11e-01 assign (resid 211 and name HA ) (resid 212 and name HN ) 2.5 0.7 0.4 ! B.3582 at 5.03e-01 assign (resid 211 and name HN ) (resid 212 and name HN ) 4.0 2.2 1.0 ! A.876 at -9.85e+05 assign (resid 211 and name HA ) (resid 212 and name HB2 ) 5.0 3.2 1.0 ! A.1434 at 9.79e+05 assign (resid 211 and name HG* ) (resid 213 and name HD1# ) 4.0 2.2 4.0 ! A.958 at 8.16e+05 assign (resid 211 and name HN ) (resid 222 and name HA ) 5.0 3.2 1.0 ! B.4921 at 4.04e-02 assign (resid 211 and name HN ) (resid 222 and name HG# ) 5.0 3.2 2.0 ! B.5426 at 2.24e-02 assign (resid 211 and name HN ) (resid 223 and name HN ) 4.0 2.2 1.0 ! B.4990 at 1.35e-01 assign (resid 211 and name HB ) (resid 224 and name HA ) 5.0 3.2 1.0 ! A.1160 at 1.15e+06 ! D212 assign (resid 212 and name HN ) (resid 213 and name HN ) 5.0 3.2 1.0 ! B.112 at 2.89e-02 assign (resid 212 and name HA ) (resid 213 and name HN ) 2.5 0.7 0.4 ! B.118 at 3.38e-01 assign (resid 212 and name HB1 ) (resid 213 and name HN ) 5.0 3.2 1.0 ! B.4932 at 3.73e-02 assign (resid 212 and name HA ) (resid 222 and name HG# ) 4.0 2.2 2.0 ! A.1223 at 2.66e+06 assign (resid 212 and name HA ) (resid 222 and name HA ) 4.0 2.2 1.0 ! A.973 at 7.69e+05 assign (resid 212 and name HA ) (resid 223 and name HN ) 4.0 2.2 1.0 ! B.5440 at 7.98e-02 ! L213 assign (resid 213 and name HA ) (resid 214 and name HN ) 2.5 0.7 0.4 ! B.4939 at 3.09e-01 assign (resid 213 and name HB2 ) (resid 214 and name HN ) 2.5 0.7 0.4 ! B.4942 at 2.77e-01 assign (resid 213 and name HG ) (resid 214 and name HN ) 4.0 2.2 1.0 ! B.5639 at 1.85e-01 assign (resid 213 and name HA ) (resid 214 and name HG1# ) 3.0 1.2 1.3 ! A.1948 at 5.88e+06 assign (resid 213 and name HN ) (resid 221 and name HN ) 4.0 2.2 1.0 ! B.4930 at 7.65e-02 assign (resid 213 and name HN ) (resid 222 and name HA ) 5.0 3.2 1.0 ! A.342 at 1.60e+06 assign (resid 213 and name HN ) (resid 223 and name HG* ) 5.0 3.2 3.0 ! B.130 at 3.75e-02 assign (resid 213 and name HN ) (resid 223 and name HN ) 5.0 3.2 1.0 ! B.4989 at 4.59e-02 assign (resid 213 and name HD2# ) (resid 223 and name HB ) 2.5 0.7 1.2 ! A.7265 at 3.70e+06 ! I214 assign (resid 214 and name HD1# ) (resid 215 and name HN ) 5.0 3.2 2.0 ! B.3758 at 3.83e-02 assign (resid 214 and name HN ) (resid 215 and name HN ) 5.0 3.2 1.0 ! B.4945 at 3.10e-02 assign (resid 214 and name HA ) (resid 215 and name HN ) 2.5 0.7 0.4 ! B.3751 at 4.19e-01 assign (resid 214 and name HG2# ) (resid 215 and name HN ) 2.5 0.7 1.4 ! B.3757 at 2.60e-01 assign (resid 214 and name HB ) (resid 215 and name HN ) 4.0 2.2 1.0 ! B.3755 at 8.34e-02 assign (resid 214 and name HG2# ) (resid 218 and name HN ) 4.0 2.2 2.0 ! B.4959 at 1.10e-01 assign (resid 214 and name HG2# ) (resid 218 and name HA# ) 4.0 2.2 3.0 ! A.559 at 4.57e+06 assign (resid 214 and name HD1# ) (resid 218 and name HA# ) 4.0 2.2 3.0 ! A.751 at 1.85e+06 assign (resid 214 and name HG2# ) (resid 219 and name HN ) 5.0 3.2 2.0 ! B.4971 at 3.37e-02 assign (resid 214 and name HG2# ) (resid 219 and name HA ) 4.0 2.2 2.0 ! A.6266 at 1.22e+06 assign (resid 214 and name HA ) (resid 220 and name HN ) 5.0 3.2 1.0 ! B.3626 at 1.57e-02 assign (resid 214 and name HG2# ) (resid 220 and name HA ) 5.0 3.2 2.0 ! A.829 at 4.97e+05 assign (resid 214 and name HG1# ) (resid 220 and name HB1 ) 4.0 2.2 2.0 ! A.6751 at 1.13e+06 assign (resid 214 and name HG1# ) (resid 220 and name HG# ) 4.0 2.2 3.0 ! A.1978 at 2.96e+06 assign (resid 214 and name HD1# ) (resid 220 and name HD# ) 4.0 2.2 3.0 ! A.762 at 3.70e+06 assign (resid 214 and name HA ) (resid 220 and name HA ) 3.0 1.2 0.3 ! A.911 at 1.04e+06 assign (resid 214 and name HD1# ) (resid 220 and name HA ) 4.0 2.2 1.3 ! A.755 at 5.66e+06 assign (resid 214 and name HD1# ) (resid 220 and name HB2 ) 4.0 2.2 2.0 ! A.742 at 3.56e+06 assign (resid 214 and name HG1# ) (resid 220 and name HD# ) 2.5 0.7 2.2 ! A.1734 at 1.39e+07 assign (resid 214 and name HG2# ) (resid 221 and name HN ) 5.0 3.2 2.0 ! B.5437 at 3.30e-02 assign (resid 214 and name HA ) (resid 221 and name HN ) 4.0 2.2 1.0 ! B.4978 at 7.09e-02 assign (resid 214 and name HG1# ) (resid 221 and name HN ) 5.0 3.2 2.0 ! B.4983 at 2.09e-02 assign (resid 214 and name HA ) (resid 221 and name HA ) 5.0 3.2 1.0 ! A.822 at 8.78e+05 ! K215 assign (resid 215 and name HA ) (resid 216 and name HG# ) 4.0 2.2 2.0 ! A.6930 at 9.42e+05 assign (resid 215 and name HA ) (resid 216 and name HD# ) 4.0 2.2 1.3 ! A.2195 at 3.88e+06 assign (resid 215 and name HG# ) (resid 217 and name HN ) 5.0 3.2 2.0 ! B.5431 at 2.97e-02 !!!assign (resid 215 and name HA ) (resid 217 and name HN ) 5.0 3.2 1.0 ! B.4947 at 4.23e-02 assign (resid 215 and name HN ) (resid 218 and name HN ) 5.0 3.2 1.0 ! B.4950 at 2.31e-02 assign (resid 215 and name HB1 ) (resid 218 and name HN ) 5.0 3.2 1.0 ! B.5655 at 5.03e-02 assign (resid 215 and name HG# ) (resid 218 and name HN ) 5.0 3.2 2.0 ! B.4960 at 1.67e-02 assign (resid 215 and name HN ) (resid 219 and name HN ) 5.0 3.2 1.0 ! B.3749 at 4.40e-02 assign (resid 215 and name HG# ) (resid 219 and name HB2 ) 3.0 1.2 1.3 ! A.6108 at 1.99e+06 assign (resid 215 and name HG# ) (resid 219 and name HB1 ) 3.0 1.2 1.3 ! A.6109 at 1.79e+06 assign (resid 215 and name HN ) (resid 220 and name HA ) 4.0 2.2 1.0 ! B.5428 at 9.34e-02 !assign (resid 215 and name HB2 ) (resid 221 and name HN ) 5.0 3.2 1.0 ! B.4981 at 5.12e-02 assign (resid 215 and name HN ) (resid 221 and name HD# ) 4.0 2.2 3.4 ! B.3748 at 8.80e-02 assign (resid 215 and name HG# ) (resid 221 and name HD# ) 5.0 3.2 4.4 ! A.149 at 1.19e+06 assign (resid 215 and name HB2 ) (resid 221 and name HD# ) 4.0 2.2 3.4 ! A.700 at 2.51e+06 assign (resid 215 and name HG# ) (resid 221 and name HE# ) 4.0 2.2 4.4 ! A.1122 at 3.29e+06 ! P216 assign (resid 216 and name HG# ) (resid 217 and name HN ) 5.0 3.2 2.0 ! B.2930 at 2.50e-02 assign (resid 216 and name HA ) (resid 217 and name HN ) 5.0 3.2 1.0 ! B.2934 at 4.60e-02 assign (resid 216 and name HB# ) (resid 217 and name HN ) 5.0 3.2 2.0 ! B.714 at 4.14e-02 assign (resid 216 and name HD# ) (resid 217 and name HN ) 4.0 2.2 2.0 ! B.713 at 8.09e-02 assign (resid 216 and name HA ) (resid 218 and name HN ) 5.0 3.2 1.0 ! B.5725 at 2.87e-02 ! T217 assign (resid 217 and name HN ) (resid 218 and name HN ) 2.5 0.7 0.4 ! B.708 at 2.26e-01 assign (resid 217 and name HN ) (resid 218 and name HA# ) 5.0 3.2 2.0 ! B.2932 at 2.43e-02 assign (resid 217 and name HG2# ) (resid 218 and name HN ) 5.0 3.2 2.0 ! B.4958 at 2.96e-02 assign (resid 217 and name HA ) (resid 218 and name HN ) 5.0 3.2 1.0 ! B.4954 at 6.01e-02 assign (resid 217 and name HB ) (resid 218 and name HN ) 5.0 3.2 1.0 ! B.5433 at 2.81e-02 assign (resid 217 and name HN ) (resid 219 and name HN ) 5.0 3.2 1.0 ! B.602 at 2.12e-02 assign (resid 217 and name HB ) (resid 219 and name HG# ) 5.0 3.2 2.0 ! A.1124 at 1.25e+06 ! G218 assign (resid 218 and name HA# ) (resid 219 and name HN ) 5.0 3.2 2.0 ! B.4965 at 6.68e-02 assign (resid 218 and name HN ) (resid 219 and name HN ) 2.5 0.7 0.4 ! A.226 at 2.22e+06 ! E219 assign (resid 219 and name HA ) (resid 220 and name HN ) 2.5 0.7 0.4 ! B.3742 at 4.82e-01 assign (resid 219 and name HN ) (resid 220 and name HN ) 5.0 3.2 1.0 ! B.4972 at 2.08e-02 assign (resid 219 and name HG# ) (resid 220 and name HN ) 5.0 3.2 2.0 ! B.123 at 4.18e-02 assign (resid 219 and name HA ) (resid 220 and name HG# ) 5.0 3.2 2.0 ! A.1769 at 2.34e+06 assign (resid 219 and name HB# ) (resid 221 and name HB# ) 4.0 2.2 3.0 ! A.4034 at 8.83e+05 assign (resid 219 and name HB1 ) (resid 221 and name HD# ) 5.0 3.2 3.4 ! A.717 at 9.63e+05 ! R220 assign (resid 220 and name HN ) (resid 221 and name HD# ) 5.0 3.2 3.4 ! B.4931 at 1.85e-02 assign (resid 220 and name HB1 ) (resid 221 and name HN ) 5.0 3.2 1.0 ! B.5438 at 6.11e-02 assign (resid 220 and name HA ) (resid 221 and name HN ) 2.5 0.7 0.4 ! B.4977 at 4.29e-01 assign (resid 220 and name HB2 ) (resid 221 and name HN ) 4.0 2.2 1.0 ! B.5439 at 8.72e-02 assign (resid 220 and name HN ) (resid 221 and name HN ) 4.0 2.2 1.0 ! B.4974 at 1.01e-01 assign (resid 220 and name HD# ) (resid 221 and name HN ) 5.0 3.2 2.0 ! B.2857 at 1.29e-02 assign (resid 220 and name HG# ) (resid 221 and name HA ) 4.0 2.2 2.0 ! A.1686 at 2.47e+06 assign (resid 220 and name HD# ) (resid 221 and name HA ) 5.0 3.2 2.0 ! A.828 at -4.85e+05 assign (resid 220 and name HA ) (resid 221 and name HD# ) 5.0 3.2 3.4 ! A.144 at 9.30e+05 ! F221 assign (resid 221 and name HN ) (resid 222 and name HN ) 5.0 3.2 1.0 ! B.496 at 3.01e-02 assign (resid 221 and name HB# ) (resid 222 and name HN ) 4.0 2.2 2.0 ! B.3180 at 1.39e-01 assign (resid 221 and name HB1 ) (resid 222 and name HN ) 3.0 1.2 0.5 ! B.1415 at 1.81e-01 assign (resid 221 and name HA ) (resid 222 and name HN ) 2.5 0.7 0.4 ! B.1409 at 3.57e-01 assign (resid 221 and name HD# ) (resid 222 and name HN ) 4.0 2.2 3.4 ! A.156 at 2.16e+06 ! Q222 assign (resid 222 and name HB1 ) (resid 223 and name HN ) 4.0 2.2 1.0 ! B.4995 at 1.12e-01 assign (resid 222 and name HA ) (resid 223 and name HN ) 2.5 0.7 0.4 ! A.343 at 6.13e+06 assign (resid 222 and name HG# ) (resid 223 and name HN ) 4.0 2.2 2.0 ! B.349 at 9.40e-02 assign (resid 222 and name HA ) (resid 223 and name HG2# ) 4.0 2.2 2.0 ! A.2385 at 1.17e+06 !assign (resid 222 and name HA ) (resid 224 and name HN ) 5.0 3.2 1.0 ! B.5658 at 3.32e-02 assign (resid 222 and name HG# ) (resid 224 and name HG2# ) 5.0 3.2 3.0 ! A.819 at 4.55e+05 assign (resid 222 and name HB1 ) (resid 224 and name HG2# ) 4.0 2.2 2.0 ! A.1360 at 3.59e+06 ! V223 assign (resid 223 and name HN ) (resid 224 and name HN ) 5.0 3.2 1.0 ! B.4988 at 3.32e-02 assign (resid 223 and name HB ) (resid 224 and name HN ) 5.0 3.2 1.0 ! B.5002 at 5.28e-02 assign (resid 223 and name HG* ) (resid 224 and name HN ) 2.5 0.7 2.4 ! B.5003 at 2.52e-01 assign (resid 223 and name HB ) (resid 225 and name HN ) 5.0 3.2 1.0 ! B.5007 at 2.12e-02 assign (resid 223 and name HG* ) (resid 225 and name HN ) 2.5 0.7 2.4 ! B.1243 at 2.14e-01 assign (resid 223 and name HG* ) (resid 226 and name HA ) 5.0 3.2 3.0 ! A.1309 at 1.44e+06 assign (resid 223 and name HG* ) (resid 228 and name HN ) 5.0 3.2 3.0 ! B.5024 at 2.58e-02 assign (resid 223 and name HG* ) (resid 228 and name HB# ) 5.0 3.2 4.0 ! A.1185 at 4.34e+06 assign (resid 223 and name HG* ) (resid 228 and name HA ) 3.0 1.2 1.3 ! A.7332 at 1.77e+06 assign (resid 223 and name HG* ) (resid 230 and name HB ) 3.0 1.2 2.3 ! A.16 at 1.99e+06 assign (resid 223 and name HG* ) (resid 231 and name HN ) 5.0 3.2 3.0 ! B.5051 at 5.71e-02 ! T224 assign (resid 224 and name HN ) (resid 225 and name HN ) 2.5 0.7 0.4 ! B.1220 at 2.29e-01 assign (resid 224 and name HG2# ) (resid 225 and name HN ) 5.0 3.2 2.0 ! B.5008 at 5.05e-02 assign (resid 224 and name HB ) (resid 225 and name HN ) 5.0 3.2 1.0 ! B.5441 at 2.10e-02 assign (resid 224 and name HA ) (resid 225 and name HN ) 3.0 1.2 0.5 ! B.5005 at 1.39e-01 assign (resid 224 and name HG2# ) (resid 225 and name HA ) 4.0 2.2 2.0 ! A.2018 at 9.11e+06 ! N225 assign (resid 225 and name HN ) (resid 226 and name HN ) 5.0 3.2 1.0 ! B.3110 at 1.88e-02 assign (resid 225 and name HB# ) (resid 226 and name HN ) 3.0 1.2 1.5 ! B.5014 at 1.98e-01 assign (resid 225 and name HA ) (resid 226 and name HN ) 2.5 0.7 0.4 ! B.5011 at 3.53e-01 assign (resid 225 and name HB# ) (resid 226 and name HG2# ) 4.0 2.2 3.0 ! A.6267 at 1.14e+06 assign (resid 225 and name HA ) (resid 226 and name HG2# ) 5.0 3.2 2.0 ! A.2210 at 1.34e+06 assign (resid 225 and name HA ) (resid 226 and name HG1# ) 5.0 3.2 2.0 ! A.664 at 1.59e+06 assign (resid 225 and name HB# ) (resid 227 and name HN ) 5.0 3.2 2.0 ! B.4711 at 3.87e-02 assign (resid 225 and name HN ) (resid 227 and name HN ) 5.0 3.2 1.0 ! B.3109 at 1.66e-02 assign (resid 225 and name HN ) (resid 228 and name HB# ) 5.0 3.2 2.0 ! B.5683 at 1.04e-02 ! V226 assign (resid 226 and name HN ) (resid 227 and name HN ) 4.0 2.2 1.0 ! B.5016 at 9.53e-02 assign (resid 226 and name HG1# ) (resid 227 and name HN ) 4.0 2.2 2.0 ! A.653 at 2.72e+06 assign (resid 226 and name HG2# ) (resid 227 and name HN ) 4.0 2.2 2.0 ! A.2212 at 2.04e+06 assign (resid 226 and name HA ) (resid 227 and name HN ) 5.0 3.2 1.0 ! B.4710 at 6.28e-02 assign (resid 226 and name HB ) (resid 227 and name HN ) 5.0 3.2 1.0 ! B.916 at 3.72e-02 assign (resid 226 and name HA ) (resid 228 and name HN ) 5.0 3.2 1.0 ! B.1980 at 2.14e-02 assign (resid 226 and name HG2# ) (resid 228 and name HN ) 5.0 3.2 2.0 ! B.3414 at 1.60e-02 assign (resid 226 and name HG2# ) (resid 231 and name HB ) 4.0 2.2 2.0 ! A.7689 at 1.22e+06 assign (resid 226 and name HA ) (resid 231 and name HB ) 5.0 3.2 1.0 ! A.1280 at 1.03e+06 assign (resid 226 and name HA ) (resid 231 and name HG* ) 2.5 0.7 2.2 ! A.5915 at 4.43e+06 assign (resid 226 and name HB ) (resid 231 and name HG* ) 3.0 1.2 2.3 ! A.736 at 1.07e+06 assign (resid 226 and name HG2# ) (resid 231 and name HG* ) 4.0 2.2 4.0 ! A.1722 at 9.04e+05 assign (resid 226 and name HG1# ) (resid 231 and name HG* ) 3.0 1.2 3.3 ! A.741 at 1.49e+06 ! D227 assign (resid 227 and name HN ) (resid 228 and name HN ) 3.0 1.2 0.5 ! B.4707 at 1.80e-01 assign (resid 227 and name HN ) (resid 228 and name HA ) 5.0 3.2 1.0 ! B.4709 at 2.49e-02 assign (resid 227 and name HB1 ) (resid 228 and name HN ) 3.0 1.2 0.5 ! B.1983 at 1.74e-02 assign (resid 227 and name HB2 ) (resid 228 and name HN ) 2.5 0.7 0.4 ! B.2017 at 4.81e-02 assign (resid 227 and name HA ) (resid 228 and name HN ) 4.0 2.2 1.0 ! B.5444 at 1.11e-01 assign (resid 227 and name HB2 ) (resid 228 and name HN ) 3.0 1.2 0.5 ! B.5640 at 1.68e-02 assign (resid 227 and name HB1 ) (resid 228 and name HN ) 4.0 2.2 1.0 ! B.5640 at 1.68e-02 ! S228 assign (resid 228 and name HA ) (resid 229 and name HN ) 5.0 3.2 1.0 ! B.3571 at 6.01e-02 assign (resid 228 and name HA ) (resid 229 and name HA ) 4.0 2.2 1.0 ! A.1995 at 2.06e+06 assign (resid 228 and name HB1 ) (resid 230 and name HN ) 5.0 3.2 1.0 ! A.398 at 8.63e+05 assign (resid 228 and name HB2 ) (resid 230 and name HN ) 5.0 3.2 1.0 ! A.398 at 8.63e+05 assign (resid 228 and name HB# ) (resid 230 and name HB ) 4.0 2.2 2.0 ! A.6120 at 8.98e+05 assign (resid 228 and name HB# ) (resid 230 and name HG2# ) 4.0 2.2 3.0 ! A.1190 at 4.44e+06 assign (resid 228 and name HN ) (resid 231 and name HN ) 4.0 2.2 1.0 ! A.398 at 8.63e+05 ! D247 assign (resid 228 and name HB2 ) (resid 231 and name HN ) 5.0 3.2 1.0 ! A.398 at 8.63e+05 assign (resid 228 and name HN ) (resid 231 and name HG* ) 5.0 3.2 3.0 ! B.5642 at 3.62e-02 assign (resid 228 and name HB# ) (resid 231 and name HN ) 5.0 3.2 2.0 ! B.1021 at 5.59e-02 assign (resid 228 and name HB# ) (resid 231 and name HB ) 4.0 2.2 2.0 ! A.1357 at 1.63e+06 assign (resid 228 and name HB# ) (resid 231 and name HG* ) 3.0 1.2 3.3 ! A.727 at 1.13e+06 assign (resid 228 and name HN ) (resid 232 and name HN ) 5.0 3.2 1.0 ! B.4963 at 1.17e-02 ! D229 assign (resid 229 and name HN ) (resid 230 and name HN ) 5.0 3.2 1.0 ! B.5031 at 2.27e-02 assign (resid 229 and name HA ) (resid 230 and name HN ) 5.0 3.2 1.0 ! B.5048 at 3.45e-02 assign (resid 229 and name HA ) (resid 231 and name HN ) 5.0 3.2 1.0 ! B.5048 at 3.45e-02 assign (resid 229 and name HA ) (resid 232 and name HN ) 4.0 2.2 1.0 ! B.5048 at 3.45e-02 assign (resid 229 and name HA ) (resid 232 and name HB2 ) 5.0 3.2 1.0 ! A.717 at 4.17e+05 assign (resid 229 and name HA ) (resid 232 and name HB1 ) 4.0 2.2 1.0 ! A.6679 at 1.25e+06 assign (resid 229 and name HA ) (resid 232 and name HD# ) 4.0 2.2 2.0 ! A.1689 at 1.86e+06 ! V230 assign (resid 230 and name HB ) (resid 231 and name HN ) 4.0 2.2 1.0 ! B.1027 at 8.70e-02 assign (resid 230 and name HA ) (resid 231 and name HN ) 4.0 2.2 1.0 ! B.1027 at 8.70e-02 assign (resid 230 and name HN ) (resid 231 and name HN ) 4.0 2.2 1.0 ! B.5032 at 9.53e-02 !assign (resid 230 and name HA ) (resid 233 and name HN ) 5.0 3.2 1.0 ! B.1127 at 8.81e-02 assign (resid 230 and name HG1# ) (resid 234 and name HN ) 5.0 3.2 2.0 ! B.5069 at 1.56e-02 assign (resid 230 and name HA ) (resid 234 and name HB# ) 4.0 2.2 2.0 ! A.3419 at 1.06e+06 assign (resid 230 and name HA ) (resid 234 and name HB2 ) 4.0 2.2 1.0 ! A.1218 at 2.20e+06 assign (resid 230 and name HA ) (resid 234 and name HB1 ) 5.0 3.2 1.0 ! A.1219 at 1.44e+06 ! V231 assign (resid 231 and name HN ) (resid 232 and name HN ) 3.0 1.2 0.5 ! B.600 at 1.47e-01 assign (resid 231 and name HB ) (resid 232 and name HN ) 3.0 1.2 0.5 ! B.4967 at 1.67e-01 assign (resid 231 and name HN ) (resid 232 and name HB2 ) 5.0 3.2 1.0 ! B.5049 at 2.91e-02 assign (resid 231 and name HA ) (resid 232 and name HN ) 5.0 3.2 1.0 ! B.5073 at 6.50e-02 assign (resid 231 and name HG1# ) (resid 232 and name HA ) 4.0 2.2 2.0 ! A.6931 at 1.78e+06 assign (resid 231 and name HA ) (resid 235 and name HN ) 5.0 3.2 1.0 ! B.5073 at 6.50e-02 assign (resid 231 and name HA ) (resid 235 and name HG2# ) 3.0 1.2 1.2 ! A.6289 at 4.71e+06 assign (resid 231 and name HA ) (resid 235 and name HD1# ) 4.0 2.2 2.0 ! A.1188 at 3.11e+06 assign (resid 231 and name HG1# ) (resid 235 and name HG2# ) 3.0 1.2 2.3 ! A.623 at 1.67e+06 ! K232 assign (resid 232 and name HA ) (resid 233 and name HN ) 3.0 1.2 0.5 ! B.5449 at 7.44e-01 assign (resid 232 and name HG# ) (resid 233 and name HN ) 5.0 3.2 2.0 ! B.5057 at 4.96e-02 assign (resid 232 and name HB2 ) (resid 233 and name HN ) 4.0 2.2 1.0 ! B.5056 at 7.56e-02 assign (resid 232 and name HN ) (resid 233 and name HN ) 4.0 2.2 1.0 ! B.5052 at 8.68e-02 assign (resid 232 and name HA ) (resid 235 and name HN ) 5.0 3.2 1.0 ! B.6129 at 4.44e-02 ! G233 assign (resid 233 and name HA# ) (resid 234 and name HN ) 4.0 2.2 2.0 ! B.5064 at 9.79e-02 assign (resid 233 and name HN ) (resid 234 and name HN ) 4.0 2.2 1.0 ! B.5060 at 7.95e-02 assign (resid 233 and name HN ) (resid 234 and name HA ) 5.0 3.2 1.0 ! B.5742 at 3.09e-02 assign (resid 233 and name HA# ) (resid 235 and name HN ) 4.0 2.2 2.0 ! B.5064 at 9.79e-02 ! N234 assign (resid 234 and name HB2 ) (resid 235 and name HN ) 4.0 2.2 1.0 ! B.5075 at 1.33e-01 assign (resid 234 and name HB1 ) (resid 235 and name HN ) 3.0 1.2 0.5 ! B.5075 at 1.33e-01 assign (resid 234 and name HA ) (resid 235 and name HN ) 4.0 2.2 1.0 ! B.5072 at 7.77e-02 assign (resid 234 and name HN ) (resid 235 and name HN ) 2.5 0.7 0.4 ! B.767 at 2.29e-01 assign (resid 234 and name HN ) (resid 235 and name HG2# ) 5.0 3.2 2.0 ! B.5068 at 2.93e-02 assign (resid 234 and name HN ) (resid 235 and name HB ) 5.0 3.2 1.0 ! B.5067 at 2.22e-02 assign (resid 234 and name HA ) (resid 236 and name HN ) 5.0 3.2 1.0 ! B.4072 at 2.77e-02 ! I235 assign (resid 235 and name HA ) (resid 236 and name HN ) 2.5 0.7 0.4 ! B.216 at 6.41e-01 assign (resid 235 and name HG1# ) (resid 236 and name HN ) 4.0 2.2 2.0 ! B.5709 at 1.19e-01 assign (resid 235 and name HA ) (resid 237 and name HN ) 4.0 2.2 1.0 ! B.5084 at 9.94e-02 assign (resid 235 and name HD1# ) (resid 238 and name HD2# ) 4.0 2.2 3.0 ! A.571 at 9.14e+05 assign (resid 235 and name HG2# ) (resid 238 and name HD2# ) 3.0 1.2 2.3 ! A.570 at 1.24e+06 ! K236 assign (resid 236 and name HN ) (resid 237 and name HN ) 2.5 0.7 0.4 ! B.5078 at 4.62e-01 assign (resid 236 and name HB2 ) (resid 237 and name HN ) 4.0 2.2 1.0 ! B.5088 at 1.40e-01 assign (resid 236 and name HA ) (resid 237 and name HN ) 4.0 2.2 1.0 ! B.5083 at 1.07e-01 assign (resid 236 and name HB1 ) (resid 237 and name HN ) 5.0 3.2 1.0 ! B.5086 at 6.77e-02 assign (resid 236 and name HB1 ) (resid 237 and name HD1# ) 4.0 2.2 2.0 ! A.6951 at 1.37e+06 assign (resid 236 and name HB2 ) (resid 237 and name HD1# ) 3.0 1.2 1.3 ! A.1964 at 3.59e+06 ! L237 assign (resid 237 and name HN ) (resid 238 and name HN ) 5.0 3.2 1.0 ! B.5092 at 6.59e-02 assign (resid 237 and name HA ) (resid 238 and name HN ) 2.5 0.7 0.4 ! B.739 at 4.60e-01 assign (resid 237 and name HB2 ) (resid 238 and name HN ) 4.0 2.2 1.0 ! B.737 at 1.05e-01 assign (resid 237 and name HA ) (resid 238 and name HD1# ) 4.0 2.2 2.0 ! A.605 at 6.29e+05 ! L238 assign (resid 238 and name HD2# ) (resid 239 and name HN ) 2.5 0.7 1.4 ! B.5458 at 2.77e-01 assign (resid 238 and name HA ) (resid 239 and name HN ) 2.5 0.7 0.4 ! B.666 at 6.59e-01 assign (resid 238 and name HB1 ) (resid 239 and name HN ) 2.5 0.7 0.4 ! B.681 at 2.49e-01 assign (resid 238 and name HB1 ) (resid 239 and name HA ) 4.0 2.2 1.0 ! A.1843 at 2.18e+06 ! L239 assign (resid 239 and name HG ) (resid 241 and name HN ) 4.0 2.2 1.0 ! B.3702 at 2.35e-01 assign (resid 239 and name HB# ) (resid 241 and name HN ) 5.0 3.2 2.0 ! B.3708 at 4.99e-02 ! N240 assign (resid 240 and name HA ) (resid 241 and name HN ) 3.0 1.2 0.5 ! B.3700 at 1.75e-01 ! S241 assign (resid 241 and name HN ) (resid 242 and name HN ) 3.0 1.2 0.5 ! B.3705 at 1.69e-01 ! R242 ! A243 ! S244 ! T245 assign (resid 245 and name HB ) (resid 251 and name HD1# ) 4.0 2.2 2.0 ! A.1005 at 1.92e+06 ! A246 assign (resid 246 and name HB# ) (resid 247 and name HA ) 5.0 3.2 2.0 ! A.473 at 4.87e+05 assign (resid 246 and name HA ) (resid 248 and name HN ) 5.0 3.2 1.0 ! B.5462 at 1.15e-02 assign (resid 246 and name HA ) (resid 248 and name HB2 ) 5.0 3.2 1.0 ! A.1511 at 1.70e+06 assign (resid 246 and name HA ) (resid 251 and name HD1# ) 5.0 3.2 2.0 ! A.749 at 3.25e+06 assign (resid 246 and name HN ) (resid 251 and name HD1# ) 4.0 2.2 2.0 ! A.584 at 4.25e+06 ! D247 assign (resid 247 and name HB# ) (resid 248 and name HN ) 5.0 3.2 2.0 ! B.837 at 4.34e-02 assign (resid 247 and name HA ) (resid 248 and name HN ) 4.0 2.2 1.0 ! B.832 at 9.47e-02 assign (resid 247 and name HN ) (resid 248 and name HN ) 2.5 0.7 0.4 ! A.311 at 1.65e+06 assign (resid 247 and name HA ) (resid 249 and name HN ) 5.0 3.2 1.0 ! B.1083 at 2.54e-02 ! E248 assign (resid 248 and name HN ) (resid 249 and name HA ) 5.0 3.2 1.0 ! B.5697 at 2.28e-02 assign (resid 248 and name HN ) (resid 249 and name HN ) 2.5 0.7 0.4 ! A.310 at 1.89e+06 assign (resid 248 and name HG# ) (resid 249 and name HN ) 5.0 3.2 2.0 ! B.5463 at 1.51e-02 assign (resid 248 and name HB1 ) (resid 249 and name HN ) 5.0 3.2 1.0 ! B.1090 at 3.13e-02 assign (resid 248 and name HA ) (resid 249 and name HN ) 3.0 1.2 0.5 ! B.1084 at 1.45e-01 assign (resid 248 and name HB# ) (resid 249 and name HN ) 5.0 3.2 2.0 ! B.3069 at 2.90e-02 assign (resid 248 and name HN ) (resid 250 and name HN ) 4.0 2.2 1.0 ! B.5692 at 8.54e-02 assign (resid 248 and name HB2 ) (resid 251 and name HD1# ) 4.0 2.2 2.0 ! A.1896 at -6.15e+05 ! N249 assign (resid 249 and name HB2 ) (resid 250 and name HN ) 5.0 3.2 1.0 ! B.2945 at 2.79e-02 assign (resid 249 and name HA ) (resid 250 and name HN ) 3.0 1.2 0.5 ! B.5469 at 1.82e-01 assign (resid 249 and name HB1 ) (resid 250 and name HN ) 5.0 3.2 1.0 ! B.5120 at 2.69e-02 assign (resid 249 and name HN ) (resid 250 and name HN ) 4.0 2.2 1.0 ! A.276 at 8.79e+05 ! F250 assign (resid 250 and name HB1 ) (resid 251 and name HN ) 5.0 3.2 1.0 ! B.2875 at 1.52e-02 assign (resid 250 and name HA ) (resid 251 and name HN ) 4.0 2.2 1.0 ! B.5470 at 7.42e-02 assign (resid 250 and name HD# ) (resid 252 and name HG2# ) 4.0 2.2 4.4 ! A.743 at 1.26e+06 assign (resid 250 and name HA ) (resid 252 and name HG2# ) 4.0 2.2 2.0 ! A.1632 at 5.54e+05 assign (resid 250 and name HD# ) (resid 253 and name HG2# ) 4.0 2.2 4.4 ! A.743 at 1.26e+06 assign (resid 250 and name HE# ) (resid 253 and name HG2# ) 4.0 2.2 4.4 ! A.741 at 1.31e+06 ! I251 assign (resid 251 and name HA ) (resid 252 and name HN ) 4.0 2.2 1.0 ! B.3138 at 1.28e-01 assign (resid 251 and name HG2# ) (resid 252 and name HN ) 5.0 3.2 2.0 ! B.5128 at 4.55e-02 assign (resid 251 and name HB ) (resid 252 and name HN ) 5.0 3.2 1.0 ! B.5474 at 4.50e-02 assign (resid 251 and name HN ) (resid 252 and name HN ) 5.0 3.2 1.0 ! A.195 at 5.96e+05 assign (resid 251 and name HG2# ) (resid 252 and name HG2# ) 3.0 1.2 2.3 ! A.1973 at 3.14e+06 assign (resid 251 and name HA ) (resid 252 and name HG2# ) 4.0 2.2 2.0 ! A.1979 at -1.43e+06 ! T252 assign (resid 252 and name HA ) (resid 253 and name HN ) 4.0 2.2 1.0 ! B.5131 at 1.07e-01 assign (resid 252 and name HN ) (resid 253 and name HN ) 5.0 3.2 1.0 ! A.659 at 6.89e+05 ! T253 assign (resid 253 and name HA ) (resid 254 and name HN ) 5.0 3.2 1.0 ! B.5476 at 5.27e-02 assign (resid 253 and name HN ) (resid 254 and name HN ) 5.0 3.2 1.0 ! B.1589 at 3.96e-02 assign (resid 253 and name HG2# ) (resid 254 and name HN ) 5.0 3.2 2.0 ! B.5744 at 1.37e-02 assign (resid 253 and name HG2# ) (resid 254 and name HB1 ) 4.0 2.2 2.0 ! A.1984 at 7.31e+05 ! M254 assign (resid 254 and name HB2 ) (resid 255 and name HN ) 5.0 3.2 1.0 ! B.3926 at 2.43e-02 assign (resid 254 and name HA ) (resid 255 and name HN ) 4.0 2.2 1.0 ! B.1627 at 9.69e-02 assign (resid 254 and name HG# ) (resid 256 and name HD1# ) 4.0 2.2 3.0 ! A.963 at 5.14e+05 ! T255 assign (resid 255 and name HB ) (resid 256 and name HN ) 5.0 3.2 1.0 ! B.5490 at 1.90e-02 assign (resid 255 and name HG2# ) (resid 256 and name HD2# ) 3.0 1.2 2.3 ! A.1971 at 1.89e+06 assign (resid 255 and name HB ) (resid 257 and name HN ) 5.0 3.2 1.0 ! B.5152 at 7.85e-03 ! L256 ! L257 assign (resid 257 and name HA ) (resid 258 and name HN ) 5.0 3.2 1.0 ! B.5149 at 5.90e-02 assign (resid 257 and name HB# ) (resid 258 and name HN ) 5.0 3.2 2.0 ! B.5150 at 1.67e-02 ! G258 assign (resid 258 and name HA# ) (resid 259 and name HN ) 5.0 3.2 2.0 ! B.5144 at 3.09e-02 assign (resid 258 and name HN ) (resid 259 and name HN ) 5.0 3.2 1.0 ! A.1162 at 6.63e+05 ! E259 assign (resid 259 and name HB# ) (resid 260 and name HN ) 5.0 3.2 2.0 ! B.3187 at 6.75e-03 assign (resid 259 and name HA ) (resid 260 and name HN ) 5.0 3.2 1.0 ! B.1413 at 5.25e-02 assign (resid 259 and name HB# ) (resid 260 and name HB# ) 3.0 1.2 2.3 ! A.934 at 1.64e+06 ! S260 assign (resid 260 and name HB# ) (resid 261 and name HN ) 5.0 3.2 2.0 ! B.5491 at 7.67e-03 assign (resid 260 and name HA ) (resid 261 and name HN ) 5.0 3.2 1.0 ! B.5487 at 3.81e-02 assign (resid 260 and name HB2 ) (resid 261 and name HN ) 5.0 3.2 1.0 ! B.5491 at 7.67e-03 ! V261 assign (resid 261 and name HG1# ) (resid 262 and name HA ) 4.0 2.2 2.0 ! A.2694 at 2.36e+06 ! V262 assign (resid 262 and name HA ) (resid 263 and name HN ) 5.0 3.2 1.0 ! B.2563 at 1.82e-02 assign (resid 262 and name HG1# ) (resid 263 and name HN ) 5.0 3.2 2.0 ! B.5686 at 3.89e-03 ! N263 !Added HA(i)HB(i+3) assign (resid 133 and name HA ) (resid 136 and name HB ) 5.0 3.2 2.0 ! A.1049 at 1.32e+06 assign (resid 134 and name HA ) (resid 137 and name HB# ) 5.0 3.2 2.0 ! A.1049 at 1.32e+06 assign (resid 135 and name HA ) (resid 138 and name HB# ) 5.0 3.2 2.0 ! A.1049 at 1.32e+06 assign (resid 142 and name HA ) (resid 145 and name HB# ) 5.0 3.2 2.0 ! A.1049 at 1.32e+06 assign (resid 143 and name HA ) (resid 146 and name HB# ) 5.0 3.2 2.0 ! A.1049 at 1.32e+06 assign (resid 147 and name HA ) (resid 150 and name HB1 ) 5.0 3.2 1.0 ! A.1049 at 1.32e+06 assign (resid 147 and name HA ) (resid 150 and name HB2 ) 5.0 3.2 1.0 ! A.1049 at 1.32e+06 assign (resid 151 and name HA ) (resid 154 and name HB# ) 5.0 3.2 1.0 ! A.1049 at 1.32e+06 assign (resid 155 and name HA ) (resid 158 and name HB1 ) 5.0 3.2 1.0 ! A.1049 at 1.32e+06 assign (resid 155 and name HA ) (resid 158 and name HB2 ) 5.0 3.2 1.0 ! A.1049 at 1.32e+06 assign (resid 166 and name HA ) (resid 169 and name HB ) 5.0 3.2 1.0 ! A.1049 at 1.32e+06 assign (resid 182 and name HA ) (resid 185 and name HB# ) 5.0 3.2 2.0 ! A.1049 at 1.32e+06 assign (resid 183 and name HA ) (resid 186 and name HB# ) 5.0 3.2 2.0 ! A.1049 at 1.32e+06 assign (resid 186 and name HA ) (resid 189 and name HB1 ) 5.0 3.2 1.0 ! A.1049 at 1.32e+06 assign (resid 186 and name HA ) (resid 189 and name HB2 ) 5.0 3.2 1.0 ! A.1049 at 1.32e+06 assign (resid 187 and name HA ) (resid 190 and name HB# ) 5.0 3.2 2.0 ! A.1049 at 1.32e+06 assign (resid 188 and name HA ) (resid 191 and name HB# ) 5.0 3.2 2.0 ! A.1049 at 1.32e+06 assign (resid 189 and name HA ) (resid 192 and name HB# ) 5.0 3.2 2.0 ! A.1049 at 1.32e+06 assign (resid 190 and name HA ) (resid 193 and name HB1 ) 5.0 3.2 1.0 ! A.1049 at 1.32e+06 assign (resid 190 and name HA ) (resid 193 and name HB2 ) 5.0 3.2 1.0 ! A.1049 at 1.32e+06 assign (resid 191 and name HA ) (resid 194 and name HB# ) 5.0 3.2 2.0 ! A.1049 at 1.32e+06 assign (resid 193 and name HA ) (resid 196 and name HB# ) 5.0 3.2 2.0 ! A.1049 at 1.32e+06 assign (resid 195 and name HA ) (resid 198 and name HB1 ) 5.0 3.2 1.0 ! A.1049 at 1.32e+06 assign (resid 195 and name HA ) (resid 198 and name HB2 ) 5.0 3.2 1.0 ! A.1049 at 1.32e+06
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