NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
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623118 |
6ba6   |
30353 | cing | 1-original | 3 | XPLOR/CNS | distance | NOE | simple |
# Restraints file 3: talin-F0-bound-intra.xtb !@ BEGIN_XPLR_PCK_SUM ! LBL File-Name All Intra Seq. Short Long InterM ! A f0.03.PCK 1115 305 339 158 313 0 ! Total 1115 305 339 158 313 0 !@ END_XPLR_PCK_SUM !@ BEGIN_XPLR_NOE_FILE ! M1 assign (resid 1 and name HA) (resid 2 and name HN) 2.5 0.7 0.4 ! A.11 at 1.25e+08 assign (resid 1 and name HG2) (resid 2 and name HN) 3.0 1.2 0.5 ! A.12 at 7.95e+06 ! V2 assign (resid 2 and name HA) (resid 2 and name HG1#) 2.5 0.7 0.7 ! A.2 at -5.91e+07 assign (resid 2 and name HB) (resid 2 and name HN) 2.5 0.7 1.0 ! A.7 at -3.82e+07 assign (resid 2 and name HG1#) (resid 2 and name HN) 3.0 1.2 1.0 ! A.10 at -5.64e+07 assign (resid 2 and name HA) (resid 3 and name HB#) 3.0 1.2 0.8 ! A.4 at -1.28e+07 assign (resid 2 and name HN) (resid 3 and name HB#) 3.0 1.2 1.0 ! A.16 at 8.43e+06 assign (resid 2 and name HG1#) (resid 3 and name HA) 4.0 2.2 1.5 ! A.17 at -1.48e+06 assign (resid 2 and name HA) (resid 3 and name HN) 2.5 0.7 0.4 ! A.32 at 1.13e+08 assign (resid 2 and name HB) (resid 3 and name HN) 2.5 0.7 1.1 ! A.33 at 1.71e+07 assign (resid 2 and name HG1#) (resid 3 and name HN) 2.5 0.7 0.9 ! A.34 at 2.38e+07 assign (resid 2 and name HG1#) (resid 21 and name HG1) 3.0 1.2 2.0 ! A.364 at -3.73e+06 !! relaxed ! A3 assign (resid 3 and name HB#) (resid 3 and name HN) 2.5 0.7 0.9 ! A.27 at -4.23e+07 assign (resid 3 and name HA) (resid 4 and name HN) 2.5 0.7 0.4 ! A.55 at 2.18e+07 assign (resid 3 and name HB#) (resid 4 and name HN) 2.5 0.7 0.9 ! A.28 at -2.15e+07 assign (resid 3 and name HN) (resid 4 and name HN) 3.0 1.2 1.3 ! A.37 at 8.24e+06 assign (resid 3 and name HB#) (resid 5 and name HN) 4.0 2.2 1.0 ! A.91 at 2.33e+06 assign (resid 3 and name HB#) (resid 18 and name HG1) 3.0 1.2 0.8 ! A.29 at -1.29e+07 assign (resid 3 and name HB#) (resid 18 and name HA) 3.0 1.2 0.8 ! A.278 at -2.16e+06 assign (resid 3 and name HB#) (resid 19 and name HN) 3.0 1.2 1.0 ! A.30 at -6.40e+06 assign (resid 3 and name HA) (resid 19 and name HN) 4.0 2.2 1.0 ! A.305 at 1.78e+06 assign (resid 3 and name HN) (resid 19 and name HN) 4.0 2.2 2.0 ! A.307 at 8.73e+05 assign (resid 3 and name HA) (resid 20 and name HA) 3.0 1.2 0.3 ! A.21 at -2.91e+06 assign (resid 3 and name HB#) (resid 20 and name HN) 3.0 1.2 1.0 ! A.31 at -4.23e+06 assign (resid 3 and name HA) (resid 20 and name HN) 4.0 2.2 1.6 ! A.339 at 1.60e+06 assign (resid 3 and name HA) (resid 21 and name HD2) 3.0 1.2 0.3 ! A.22 at -5.27e+06 assign (resid 3 and name HA) (resid 21 and name HG1) 3.0 1.2 0.3 ! A.365 at -2.17e+06 assign (resid 3 and name HA) (resid 21 and name HG2) 3.0 1.2 0.3 ! A.24 at -3.05e+06 ! L4 assign (resid 4 and name HB1) (resid 4 and name HD1#) 3.0 1.2 0.8 ! A.42 at -1.15e+07 assign (resid 4 and name HB1) (resid 4 and name HN) 3.0 1.2 0.5 ! A.44 at -4.15e+06 assign (resid 4 and name HB2) (resid 4 and name HD1#) 3.0 1.2 0.8 ! A.43 at -1.10e+07 assign (resid 4 and name HB2) (resid 4 and name HN) 3.0 1.2 0.5 ! A.45 at -3.44e+06 assign (resid 4 and name HD1#) (resid 4 and name HA) 2.5 0.7 1.3 ! A.50 at -3.20e+07 assign (resid 4 and name HD1#) (resid 4 and name HN) 2.5 0.7 0.9 ! A.53 at -2.32e+07 assign (resid 4 and name HN) (resid 4 and name HG) 3.0 1.2 0.5 ! A.61 at 9.28e+06 assign (resid 4 and name HD2#) (resid 5 and name HB1) 3.0 1.2 1.5 ! A.75 at -2.22e+06 assign (resid 4 and name HD2#) (resid 5 and name HB2) 4.0 2.2 1.1 ! A.76 at -2.34e+06 assign (resid 4 and name HA) (resid 5 and name HN) 2.5 0.7 0.4 ! A.92 at 2.89e+07 assign (resid 4 and name HB1) (resid 5 and name HN) 3.0 1.2 0.5 ! A.93 at 4.87e+06 assign (resid 4 and name HB2) (resid 5 and name HN) 3.0 1.2 0.5 ! A.94 at 4.90e+06 assign (resid 4 and name HD2#) (resid 5 and name HN) 3.0 1.2 1.0 ! A.95 at 3.65e+06 assign (resid 4 and name HB1) (resid 6 and name HG) 3.0 1.2 0.3 ! A.46 at -2.38e+06 assign (resid 4 and name HB2) (resid 6 and name HG) 3.0 1.2 0.9 ! A.47 at -2.65e+06 assign (resid 4 and name HN) (resid 6 and name HG) 4.0 2.2 1.7 ! A.62 at 3.29e+06 assign (resid 4 and name HB2) (resid 6 and name HD1#) 3.0 1.2 0.8 ! A.111 at -4.71e+06 assign (resid 4 and name HN) (resid 18 and name HA) 3.0 1.2 1.2 ! A.63 at 2.61e+06 assign (resid 4 and name HB1) (resid 19 and name HB2) 4.0 2.2 2.0 ! A.48 at -8.89e+05 assign (resid 4 and name HB2) (resid 19 and name HN) 3.0 1.2 0.5 ! A.308 at 2.68e+06 assign (resid 4 and name HN) (resid 19 and name HB1) 4.0 2.2 1.0 ! A.64 at 1.57e+06 assign (resid 4 and name HN) (resid 19 and name HB2) 3.0 1.2 0.5 ! A.65 at 3.14e+06 assign (resid 4 and name HN) (resid 19 and name HN) 3.0 1.2 0.5 ! A.66 at 3.54e+06 assign (resid 4 and name HD1#) (resid 19 and name HB2) 4.0 2.2 1.5 ! A.297 at -1.58e+06 assign (resid 4 and name HD1#) (resid 19 and name HN) 3.0 1.2 1.0 ! A.309 at 3.98e+06 assign (resid 4 and name HN) (resid 20 and name HN) 4.0 2.2 1.0 ! A.67 at 1.69e+06 assign (resid 4 and name HD1#) (resid 20 and name HN) 3.0 1.2 1.6 ! A.341 at 2.07e+06 assign (resid 4 and name HN) (resid 21 and name HA) 4.0 2.2 1.0 ! A.68 at 1.75e+06 assign (resid 4 and name HN) (resid 21 and name HD2) 3.0 1.2 0.5 ! A.69 at 5.77e+06 assign (resid 4 and name HN) (resid 21 and name HG1) 3.0 1.2 0.5 ! A.70 at 2.46e+06 assign (resid 4 and name HN) (resid 21 and name HG2) 3.0 1.2 1.4 ! A.71 at 3.24e+06 assign (resid 4 and name HD1#) (resid 21 and name HA) 3.0 1.2 0.8 ! A.352 at -7.77e+06 assign (resid 4 and name HD1#) (resid 21 and name HG1) 3.0 1.2 0.8 ! A.366 at -4.06e+06 assign (resid 4 and name HD1#) (resid 23 and name HN) 4.0 2.2 1.5 ! A.421 at 1.78e+06 assign (resid 4 and name HN) (resid 68 and name HD1#) 4.0 2.2 1.5 ! A.72 at 1.59e+06 assign (resid 4 and name HD1#) (resid 68 and name HN) 3.0 1.2 1.7 ! A.1406 at 2.65e+06 assign (resid 4 and name HD1#) (resid 69 and name HB1) 4.0 2.2 1.5 ! A.1420 at -1.39e+06 assign (resid 4 and name HD1#) (resid 69 and name HN) 3.0 1.2 1.0 ! A.1429 at 3.12e+06 assign (resid 4 and name HD1#) (resid 73 and name HN) 3.0 1.2 1.0 ! A.1515 at 4.44e+06 assign (resid 4 and name HD2#) (resid 74 and name HA) 3.0 1.2 0.8 ! A.1530 at -6.86e+06 assign (resid 4 and name HD2#) (resid 74 and name HN) 3.0 1.2 1.0 ! A.1552 at 4.90e+06 assign (resid 4 and name HD2#) (resid 75 and name HN) 3.0 1.2 1.0 ! A.1573 at 3.40e+06 ! S5 assign (resid 5 and name HB1) (resid 5 and name HN) 3.0 1.2 0.5 ! A.79 at -7.32e+06 assign (resid 5 and name HB2) (resid 5 and name HN) 3.0 1.2 0.5 ! A.80 at -6.10e+06 assign (resid 5 and name HA) (resid 6 and name HN) 3.0 1.2 0.5 ! A.74 at -6.23e+06 assign (resid 5 and name HB1) (resid 6 and name HN) 3.0 1.2 1.1 ! A.125 at 2.57e+06 assign (resid 5 and name HB2) (resid 6 and name HN) 3.0 1.2 1.3 ! A.82 at -2.14e+06 assign (resid 5 and name HN) (resid 6 and name HG) 3.0 1.2 0.5 ! A.98 at 3.36e+06 assign (resid 5 and name HN) (resid 6 and name HN) 3.0 1.2 0.5 ! A.126 at 2.32e+06 assign (resid 5 and name HB1) (resid 16 and name HG2#) 3.0 1.2 0.8 ! A.83 at -4.31e+06 assign (resid 5 and name HB2) (resid 16 and name HG2#) 3.0 1.2 0.8 ! A.84 at -4.08e+06 assign (resid 5 and name HB1) (resid 18 and name HG1) 3.0 1.2 0.9 ! A.85 at -2.64e+06 assign (resid 5 and name HB2) (resid 18 and name HG1) 3.0 1.2 0.3 ! A.86 at -2.18e+06 assign (resid 5 and name HN) (resid 18 and name HA) 4.0 2.2 1.0 ! A.100 at 1.63e+06 assign (resid 5 and name HN) (resid 18 and name HG1) 3.0 1.2 1.2 ! A.101 at 2.39e+06 assign (resid 5 and name HA) (resid 18 and name HA) 3.0 1.2 0.3 ! A.279 at -2.57e+06 assign (resid 5 and name HA) (resid 18 and name HG1) 3.0 1.2 0.3 ! A.289 at -5.11e+06 assign (resid 5 and name HA) (resid 19 and name HN) 3.0 1.2 0.5 ! A.311 at 3.26e+06 assign (resid 5 and name HB2) (resid 19 and name HN) 4.0 2.2 1.0 ! A.312 at 1.26e+06 assign (resid 5 and name HB1) (resid 75 and name HA) 3.0 1.2 0.3 ! A.87 at -6.18e+06 assign (resid 5 and name HB1) (resid 75 and name HB1) 4.0 2.2 1.0 ! A.88 at -1.55e+06 assign (resid 5 and name HB2) (resid 75 and name HB1) 4.0 2.2 1.0 ! A.89 at -1.78e+06 assign (resid 5 and name HN) (resid 75 and name HA) 2.5 0.7 0.4 ! A.102 at 2.07e+07 assign (resid 5 and name HN) (resid 75 and name HB1) 3.0 1.2 0.5 ! A.103 at 2.71e+06 assign (resid 5 and name HN) (resid 75 and name HN) 3.0 1.2 1.2 ! A.1575 at 2.71e+06 assign (resid 5 and name HB1) (resid 75 and name HB2) 4.0 2.2 1.0 ! A.1565 at -1.24e+06 assign (resid 5 and name HB1) (resid 75 and name HN) 4.0 2.2 1.0 ! A.1574 at 1.74e+06 assign (resid 5 and name HB2) (resid 76 and name HN) 4.0 2.2 1.0 ! A.90 at -1.56e+06 assign (resid 5 and name HN) (resid 76 and name HN) 3.0 1.2 0.5 ! A.105 at 3.15e+06 ! L6 assign (resid 6 and name HA) (resid 6 and name HD1#) 3.0 1.2 0.8 ! A.107 at -3.47e+06 assign (resid 6 and name HA) (resid 6 and name HG) 3.0 1.2 0.3 ! A.108 at -4.23e+06 assign (resid 6 and name HD1#) (resid 6 and name HN) 3.0 1.2 1.0 ! A.114 at -4.24e+06 assign (resid 6 and name HG) (resid 6 and name HN) 3.0 1.2 0.5 ! A.121 at -6.65e+06 assign (resid 6 and name HN) (resid 6 and name HB1) 3.0 1.2 0.5 ! A.128 at 2.99e+06 assign (resid 6 and name HN) (resid 6 and name HB2) 3.0 1.2 0.5 ! A.129 at 2.43e+06 assign (resid 6 and name HN) (resid 6 and name HD2#) 3.0 1.2 1.0 ! A.131 at 2.97e+06 assign (resid 6 and name HA) (resid 7 and name HN) 3.0 1.2 0.5 ! A.110 at -3.42e+06 assign (resid 6 and name HN) (resid 7 and name HN) 3.0 1.2 1.3 ! A.133 at 2.40e+06 assign (resid 6 and name HB1) (resid 7 and name HN) 3.0 1.2 0.5 ! A.145 at 2.32e+06 assign (resid 6 and name HD1#) (resid 7 and name HN) 3.0 1.2 1.5 ! A.146 at 6.20e+06 assign (resid 6 and name HG) (resid 7 and name HN) 3.0 1.2 1.3 ! A.147 at 5.69e+06 assign (resid 6 and name HN) (resid 16 and name HG2#) 3.0 1.2 1.0 ! A.259 at -5.57e+06 assign (resid 6 and name HN) (resid 17 and name HN) 4.0 2.2 1.0 ! A.134 at 1.47e+06 assign (resid 6 and name HN) (resid 18 and name HA) 3.0 1.2 0.5 ! A.135 at 2.53e+06 assign (resid 6 and name HN) (resid 18 and name HG1) 3.0 1.2 1.4 ! A.136 at 2.32e+06 assign (resid 6 and name HD1#) (resid 19 and name HB2) 4.0 2.2 1.5 ! A.298 at -1.34e+06 assign (resid 6 and name HD1#) (resid 19 and name HN) 3.0 1.2 1.0 ! A.313 at 3.69e+06 assign (resid 6 and name HG) (resid 19 and name HN) 4.0 2.2 1.0 ! A.314 at 1.24e+06 assign (resid 6 and name HD1#) (resid 68 and name HD1#) 3.0 1.2 1.3 ! A.115 at -6.53e+06 assign (resid 6 and name HG) (resid 75 and name HN) 3.0 1.2 1.2 ! A.1576 at 2.23e+06 assign (resid 6 and name HG) (resid 76 and name HN) 3.0 1.2 0.5 ! A.122 at -6.09e+06 assign (resid 6 and name HA) (resid 76 and name HN) 3.0 1.2 0.5 ! A.1592 at 2.27e+06 assign (resid 6 and name HD2#) (resid 76 and name HN) 4.0 2.2 1.5 ! A.1593 at 1.37e+06 assign (resid 6 and name HG) (resid 77 and name HN) 2.5 0.7 0.4 ! A.1607 at 2.16e+07 assign (resid 6 and name HD1#) (resid 77 and name HN) 3.0 1.2 1.0 ! A.1606 at 7.63e+06 assign (resid 6 and name HA) (resid 78 and name HN) 4.0 2.2 1.0 ! A.1627 at 1.57e+06 assign (resid 6 and name HD1#) (resid 79 and name HG1) 3.0 1.2 0.8 ! A.116 at -5.46e+06 assign (resid 6 and name HD1#) (resid 79 and name HE#) 2.5 0.7 1.2 ! A.1647 at -8.03e+07 ! K7 assign (resid 7 and name HD1) (resid 7 and name HA) 3.0 1.2 0.3 ! A.137 at -4.88e+06 assign (resid 7 and name HE1) (resid 7 and name HG2) 2.5 0.7 0.2 ! A.141 at -3.25e+07 assign (resid 7 and name HN) (resid 7 and name HB1) 3.0 1.2 0.5 ! A.149 at 3.12e+06 assign (resid 7 and name HN) (resid 7 and name HD1) 3.0 1.2 0.5 ! A.150 at 3.32e+06 assign (resid 7 and name HN) (resid 7 and name HE1) 4.0 2.2 1.0 ! A.151 at 1.84e+06 assign (resid 7 and name HN) (resid 7 and name HG1) 3.0 1.2 0.5 ! A.152 at 5.58e+06 assign (resid 7 and name HN) (resid 7 and name HG2) 3.0 1.2 0.5 ! A.153 at 3.31e+06 assign (resid 7 and name HA) (resid 8 and name HN) 3.0 1.2 0.5 ! A.160 at 3.28e+06 assign (resid 7 and name HG2) (resid 8 and name HN) 3.0 1.2 1.8 ! A.161 at 2.03e+06 assign (resid 7 and name HN) (resid 8 and name HN) 4.0 2.2 2.0 ! A.162 at 7.63e+05 assign (resid 7 and name HD1) (resid 14 and name HG1#) 3.0 1.2 0.8 ! A.139 at -1.15e+07 assign (resid 7 and name HE1) (resid 14 and name HG1#) 2.5 0.7 1.3 ! A.142 at -2.53e+07 assign (resid 7 and name HG2) (resid 14 and name HG1#) 3.0 1.2 0.8 ! A.143 at -2.64e+06 assign (resid 7 and name HN) (resid 76 and name HN) 4.0 2.2 1.0 ! A.154 at 1.06e+06 assign (resid 7 and name HE1) (resid 76 and name HA1) 3.0 1.2 0.3 ! A.1585 at -2.86e+06 assign (resid 7 and name HE1) (resid 76 and name HA2) 4.0 2.2 1.0 ! A.1586 at -1.63e+06 assign (resid 7 and name HN) (resid 77 and name HN) 3.0 1.2 0.5 ! A.155 at 2.06e+06 assign (resid 7 and name HN) (resid 78 and name HA) 3.0 1.2 0.5 ! A.156 at 3.06e+06 assign (resid 7 and name HN) (resid 78 and name HN) 4.0 2.2 1.0 ! A.1628 at 1.01e+06 assign (resid 7 and name HG1) (resid 79 and name HN) 4.0 2.2 1.0 ! A.1655 at 1.80e+06 assign (resid 7 and name HN) (resid 79 and name HN) 4.0 2.2 1.0 ! A.1656 at 1.55e+06 ! I8 assign (resid 8 and name HA) (resid 8 and name HD1#) 3.0 1.2 0.8 ! A.157 at -3.09e+06 assign (resid 8 and name HN) (resid 8 and name HB) 3.0 1.2 0.5 ! A.164 at 2.99e+06 assign (resid 8 and name HN) (resid 8 and name HD1#) 3.0 1.2 1.0 ! A.165 at 4.15e+06 assign (resid 8 and name HN) (resid 8 and name HG11) 3.0 1.2 0.5 ! A.166 at 2.68e+06 assign (resid 8 and name HN) (resid 8 and name HG12) 3.0 1.2 0.5 ! A.167 at 2.80e+06 assign (resid 8 and name HA) (resid 15 and name HN) 4.0 2.2 2.0 ! A.253 at 9.87e+05 assign (resid 8 and name HN) (resid 16 and name HA) 4.0 2.2 1.0 ! A.168 at 1.91e+06 assign (resid 8 and name HN) (resid 16 and name HG2#) 4.0 2.2 1.5 ! A.169 at 1.75e+06 assign (resid 8 and name HN) (resid 17 and name HN) 4.0 2.2 2.0 ! A.170 at 8.65e+05 assign (resid 8 and name HD1#) (resid 17 and name HB1) 4.0 2.2 2.5 ! A.263 at -6.77e+05 assign (resid 8 and name HD1#) (resid 17 and name HN) 4.0 2.2 2.5 ! A.273 at 6.03e+05 assign (resid 8 and name HG11) (resid 32 and name HD1#) 3.0 1.2 0.8 ! A.665 at -4.12e+06 assign (resid 8 and name HD1#) (resid 78 and name HA) 4.0 2.2 2.5 ! A.1614 at -9.59e+05 assign (resid 8 and name HD1#) (resid 79 and name HB2) 3.0 1.2 0.8 ! A.1640 at -2.37e+06 assign (resid 8 and name HD1#) (resid 79 and name HE#) 2.5 0.7 1.2 ! A.1648 at -7.35e+07 assign (resid 8 and name HA) (resid 79 and name HN) 3.0 1.2 0.5 ! A.1657 at 2.13e+06 assign (resid 8 and name HD1#) (resid 79 and name HN) 3.0 1.2 1.0 ! A.1658 at 3.51e+06 assign (resid 8 and name HG2#) (resid 80 and name HA) 4.0 2.2 1.5 ! A.1667 at -1.16e+06 ! S9 assign (resid 9 and name HB1) (resid 10 and name HN) 3.0 1.2 0.5 ! A.171 at -3.59e+06 assign (resid 9 and name HB2) (resid 10 and name HN) 3.0 1.2 0.5 ! A.172 at -3.02e+06 assign (resid 9 and name HB2) (resid 14 and name HG1#) 3.0 1.2 0.8 ! A.173 at -3.44e+06 assign (resid 9 and name HB2) (resid 14 and name HB) 4.0 2.2 1.5 ! A.239 at -1.56e+06 assign (resid 9 and name HB1) (resid 78 and name HG2#) 3.0 1.2 0.8 ! A.174 at -4.33e+06 assign (resid 9 and name HB2) (resid 78 and name HG2#) 3.0 1.2 0.8 ! A.175 at -2.60e+06 assign (resid 9 and name HB1) (resid 80 and name HA) 3.0 1.2 0.3 ! A.176 at -3.56e+06 assign (resid 9 and name HB1) (resid 80 and name HG1) 3.0 1.2 0.3 ! A.178 at -2.25e+06 assign (resid 9 and name HB1) (resid 80 and name HG2) 3.0 1.2 0.3 ! A.180 at -4.35e+06 assign (resid 9 and name HB2) (resid 80 and name HA) 4.0 2.2 1.0 ! A.177 at -1.91e+06 assign (resid 9 and name HB2) (resid 80 and name HG1) 4.0 2.2 1.0 ! A.179 at -1.17e+06 assign (resid 9 and name HB1) (resid 80 and name HN) 4.0 2.2 1.0 ! A.1676 at 1.21e+06 assign (resid 9 and name HB1) (resid 81 and name HN) 3.0 1.2 1.1 ! A.181 at -2.34e+06 ! I10 assign (resid 10 and name HB) (resid 10 and name HD1#) 3.0 1.2 0.8 ! A.183 at -4.97e+06 assign (resid 10 and name HB) (resid 10 and name HN) 4.0 2.2 1.0 ! A.187 at -1.08e+06 assign (resid 10 and name HG2#) (resid 10 and name HA) 3.0 1.2 0.8 ! A.200 at -3.51e+06 assign (resid 10 and name HA) (resid 11 and name HA1) 4.0 2.2 1.0 ! A.205 at -1.27e+06 assign (resid 10 and name HB) (resid 11 and name HA1) 4.0 2.2 2.0 ! A.207 at -6.28e+05 assign (resid 10 and name HG2#) (resid 11 and name HA1) 4.0 2.2 1.5 ! A.209 at -1.01e+06 assign (resid 10 and name HA) (resid 11 and name HA2) 4.0 2.2 1.0 ! A.206 at -1.42e+06 assign (resid 10 and name HB) (resid 11 and name HA2) 4.0 2.2 2.0 ! A.208 at -8.91e+05 assign (resid 10 and name HA) (resid 11 and name HN) 3.0 1.2 0.5 ! A.216 at 3.56e+06 assign (resid 10 and name HB) (resid 11 and name HN) 4.0 2.2 1.0 ! A.217 at 1.73e+06 assign (resid 10 and name HD1#) (resid 11 and name HN) 4.0 2.2 1.5 ! A.218 at 1.62e+06 assign (resid 10 and name HG11) (resid 11 and name HN) 4.0 2.2 1.0 ! A.219 at 1.56e+06 assign (resid 10 and name HG12) (resid 11 and name HN) 4.0 2.2 1.0 ! A.220 at 1.20e+06 assign (resid 10 and name HG2#) (resid 11 and name HN) 3.0 1.2 1.0 ! A.221 at 3.64e+06 assign (resid 10 and name HG11) (resid 13 and name HG1#) 2.5 0.7 0.7 ! A.236 at -3.18e+07 assign (resid 10 and name HD1#) (resid 32 and name HD1#) 2.5 0.7 1.2 ! A.191 at -1.64e+07 assign (resid 10 and name HG2#) (resid 38 and name HB2) 3.0 1.2 0.8 ! A.204 at -1.13e+07 assign (resid 10 and name HD1#) (resid 39 and name HA) 3.0 1.2 0.8 ! A.741 at -3.80e+06 assign (resid 10 and name HG2#) (resid 39 and name HA) 3.0 1.2 0.8 ! A.742 at -3.41e+06 assign (resid 10 and name HD1#) (resid 81 and name HB2) 4.0 2.2 1.5 ! A.1697 at -1.93e+06 assign (resid 10 and name HA) (resid 81 and name HN) 4.0 2.2 2.0 ! A.1701 at 9.44e+05 assign (resid 10 and name HD1#) (resid 81 and name HN) 3.0 1.2 1.0 ! A.1702 at 4.09e+06 assign (resid 10 and name HG2#) (resid 81 and name HN) 3.0 1.2 1.0 ! A.1703 at 2.03e+06 assign (resid 10 and name HN) (resid 81 and name HN) 4.0 2.2 1.0 ! A.1704 at 1.28e+06 ! G11 assign (resid 11 and name HA1) (resid 12 and name HN) 4.0 2.2 1.0 ! A.214 at -1.90e+06 assign (resid 11 and name HA2) (resid 12 and name HN) 3.0 1.2 0.5 ! A.215 at -2.81e+06 assign (resid 11 and name HN) (resid 12 and name HN) 3.0 1.2 0.5 ! A.224 at 2.18e+06 assign (resid 11 and name HN) (resid 80 and name HG2) 4.0 2.2 2.0 ! A.225 at 9.18e+05 assign (resid 11 and name HN) (resid 81 and name HB1) 4.0 2.2 2.0 ! A.226 at 6.85e+05 assign (resid 11 and name HN) (resid 81 and name HN) 4.0 2.2 2.0 ! A.227 at 7.63e+05 ! N12 assign (resid 12 and name HN) (resid 12 and name HB2) 4.0 2.2 1.0 ! A.234 at 1.12e+06 ! V13 assign (resid 13 and name HG1#) (resid 15 and name HD1) 2.5 0.7 0.7 ! A.237 at -3.00e+07 ! V14 assign (resid 14 and name HG1#) (resid 15 and name HN) 3.0 1.2 1.0 ! A.243 at -1.28e+07 ! K15 assign (resid 15 and name HE2) (resid 15 and name HG1) 2.5 0.7 0.2 ! A.248 at -6.28e+07 assign (resid 15 and name HN) (resid 15 and name HB1) 4.0 2.2 2.0 ! A.255 at 8.52e+05 assign (resid 15 and name HN) (resid 15 and name HB2) 4.0 2.2 1.0 ! A.256 at 1.17e+06 assign (resid 15 and name HB2) (resid 36 and name HD1#) 4.0 2.2 2.5 ! A.246 at -9.68e+05 assign (resid 15 and name HE2) (resid 36 and name HD1#) 2.5 0.7 0.7 ! A.250 at -3.46e+07 assign (resid 15 and name HG1) (resid 36 and name HD1#) 2.5 0.7 0.7 ! A.251 at -1.38e+07 assign (resid 15 and name HG2) (resid 36 and name HD1#) 3.0 1.2 0.8 ! A.252 at -1.02e+07 ! T16 assign (resid 16 and name HG2#) (resid 16 and name HA) 3.0 1.2 0.8 ! A.260 at -9.63e+06 assign (resid 16 and name HG2#) (resid 17 and name HN) 3.0 1.2 1.0 ! A.262 at -7.45e+06 assign (resid 16 and name HA) (resid 17 and name HN) 4.0 2.2 1.0 ! A.274 at 1.37e+06 ! M17 assign (resid 17 and name HB1) (resid 17 and name HE#) 4.0 2.2 1.5 ! A.265 at -1.43e+06 assign (resid 17 and name HE#) (resid 17 and name HG2) 2.5 0.7 0.7 ! A.268 at -2.72e+07 assign (resid 17 and name HN) (resid 17 and name HB1) 4.0 2.2 2.0 ! A.276 at 9.54e+05 assign (resid 17 and name HN) (resid 17 and name HG2) 4.0 2.2 2.0 ! A.277 at 4.73e+05 assign (resid 17 and name HE#) (resid 18 and name HN) 4.0 2.2 1.5 ! A.295 at 1.18e+06 assign (resid 17 and name HE#) (resid 31 and name HB1) 2.5 0.7 0.7 ! A.269 at -1.34e+07 assign (resid 17 and name HE#) (resid 31 and name HA) 3.0 1.2 0.8 ! A.636 at -3.52e+06 assign (resid 17 and name HE#) (resid 32 and name HA) 2.5 0.7 0.7 ! A.270 at -1.62e+07 assign (resid 17 and name HE#) (resid 32 and name HG12) 2.5 0.7 0.7 ! A.271 at -1.78e+07 assign (resid 17 and name HE#) (resid 32 and name HN) 3.0 1.2 1.0 ! A.674 at 3.09e+06 ! Q18 assign (resid 18 and name HA) (resid 18 and name HG1) 3.0 1.2 0.3 ! A.282 at -3.24e+06 assign (resid 18 and name HB1) (resid 18 and name HN) 2.5 0.7 1.1 ! A.286 at -1.35e+07 assign (resid 18 and name HB2) (resid 18 and name HN) 3.0 1.2 0.5 ! A.287 at -1.26e+07 assign (resid 18 and name HA) (resid 19 and name HN) 3.0 1.2 0.5 ! A.283 at -5.48e+06 assign (resid 18 and name HG1) (resid 19 and name HN) 3.0 1.2 0.5 ! A.294 at -4.42e+06 assign (resid 18 and name HB1) (resid 19 and name HN) 3.0 1.2 0.5 ! A.316 at 2.82e+06 assign (resid 18 and name HB2) (resid 19 and name HN) 3.0 1.2 1.1 ! A.317 at 5.16e+06 assign (resid 18 and name HN) (resid 19 and name HN) 4.0 2.2 1.0 ! A.319 at 1.25e+06 ! F19 assign (resid 19 and name HN) (resid 19 and name HB1) 3.0 1.2 0.5 ! A.321 at 2.40e+06 assign (resid 19 and name HN) (resid 19 and name HB2) 3.0 1.2 0.5 ! A.322 at 4.21e+06 assign (resid 19 and name HA) (resid 20 and name HN) 3.0 1.2 0.5 ! A.296 at -1.28e+07 assign (resid 19 and name HB1) (resid 20 and name HN) 3.0 1.2 0.5 ! A.343 at 4.46e+06 assign (resid 19 and name HB2) (resid 20 and name HN) 4.0 2.2 2.0 ! A.302 at -9.02e+05 assign (resid 19 and name HN) (resid 20 and name HN) 4.0 2.2 1.0 ! A.323 at 1.57e+06 assign (resid 19 and name HB1) (resid 68 and name HD1#) 3.0 1.2 0.8 ! A.1385 at -2.90e+06 assign (resid 19 and name HB2) (resid 68 and name HD1#) 3.0 1.2 0.8 ! A.1386 at -2.90e+06 assign (resid 19 and name HN) (resid 68 and name HD1#) 3.0 1.2 1.5 ! A.324 at 2.04e+06 ! E20 assign (resid 20 and name HB1) (resid 20 and name HN) 3.0 1.2 0.5 ! A.331 at -3.49e+06 assign (resid 20 and name HB2) (resid 20 and name HN) 3.0 1.2 0.5 ! A.332 at -4.20e+06 assign (resid 20 and name HG1) (resid 20 and name HA) 3.0 1.2 0.3 ! A.335 at -1.06e+07 assign (resid 20 and name HG1) (resid 20 and name HN) 2.5 0.7 0.4 ! A.338 at -2.00e+07 assign (resid 20 and name HB1) (resid 21 and name HD2) 3.0 1.2 0.3 ! A.333 at -5.60e+06 assign (resid 20 and name HN) (resid 21 and name HA) 4.0 2.2 1.0 ! A.353 at -1.55e+06 assign (resid 20 and name HA) (resid 21 and name HG1) 3.0 1.2 1.4 ! A.367 at -2.66e+06 assign (resid 20 and name HB1) (resid 22 and name HN) 3.0 1.2 0.5 ! A.334 at -2.04e+06 assign (resid 20 and name HB2) (resid 22 and name HN) 3.0 1.2 0.5 ! A.390 at 4.32e+06 assign (resid 20 and name HN) (resid 22 and name HN) 4.0 2.2 1.0 ! A.391 at 1.63e+06 assign (resid 20 and name HN) (resid 23 and name HB) 3.0 1.2 0.5 ! A.348 at 2.55e+06 assign (resid 20 and name HN) (resid 23 and name HG2#) 3.0 1.2 1.0 ! A.349 at 2.55e+06 assign (resid 20 and name HN) (resid 23 and name HN) 4.0 2.2 1.0 ! A.350 at 1.71e+06 assign (resid 20 and name HB1) (resid 23 and name HN) 3.0 1.2 0.5 ! A.422 at 4.14e+06 assign (resid 20 and name HB2) (resid 23 and name HN) 3.0 1.2 0.5 ! A.423 at 3.90e+06 assign (resid 20 and name HN) (resid 68 and name HD1#) 3.0 1.2 1.0 ! A.351 at 2.94e+06 ! P21 assign (resid 21 and name HA) (resid 21 and name HD1) 4.0 2.2 1.0 ! A.355 at -1.96e+06 assign (resid 21 and name HA) (resid 21 and name HG1) 3.0 1.2 0.3 ! A.356 at -6.12e+06 assign (resid 21 and name HA) (resid 21 and name HG2) 3.0 1.2 0.9 ! A.357 at -4.07e+06 assign (resid 21 and name HD2) (resid 21 and name HA) 3.0 1.2 0.9 ! A.361 at -3.65e+06 assign (resid 21 and name HA) (resid 22 and name HN) 4.0 2.2 1.0 ! A.358 at -1.87e+06 assign (resid 21 and name HG1) (resid 22 and name HN) 3.0 1.2 1.4 ! A.371 at -2.31e+06 assign (resid 21 and name HB2) (resid 22 and name HA) 4.0 2.2 1.0 ! A.372 at -1.58e+06 assign (resid 21 and name HB1) (resid 22 and name HN) 3.0 1.2 1.0 ! A.392 at 5.88e+06 assign (resid 21 and name HB2) (resid 22 and name HN) 3.0 1.2 0.5 ! A.393 at 8.25e+06 assign (resid 21 and name HG2) (resid 22 and name HN) 3.0 1.2 1.1 ! A.394 at 4.37e+06 assign (resid 21 and name HA) (resid 23 and name HN) 3.0 1.2 0.5 ! A.424 at 3.12e+06 assign (resid 21 and name HA) (resid 68 and name HB2) 3.0 1.2 0.3 ! A.359 at -2.04e+06 assign (resid 21 and name HA) (resid 68 and name HD1#) 3.0 1.2 0.8 ! A.360 at -2.51e+06 assign (resid 21 and name HA) (resid 69 and name HB1) 4.0 2.2 1.0 ! A.1421 at -1.01e+06 assign (resid 21 and name HB2) (resid 69 and name HB1) 4.0 2.2 1.0 ! A.1422 at -1.73e+06 assign (resid 21 and name HB2) (resid 69 and name HB2) 4.0 2.2 1.0 ! A.1423 at -1.47e+06 assign (resid 21 and name HA) (resid 69 and name HN) 3.0 1.2 0.5 ! A.1430 at 3.11e+06 assign (resid 21 and name HB2) (resid 69 and name HN) 4.0 2.2 1.0 ! A.1431 at 1.90e+06 ! S22 assign (resid 22 and name HB1) (resid 22 and name HN) 3.0 1.2 0.5 ! A.383 at -4.61e+06 assign (resid 22 and name HB2) (resid 22 and name HN) 3.0 1.2 0.5 ! A.384 at -5.07e+06 assign (resid 22 and name HA) (resid 23 and name HN) 3.0 1.2 0.5 ! A.376 at -2.33e+06 assign (resid 22 and name HB1) (resid 23 and name HN) 4.0 2.2 1.0 ! A.385 at -1.26e+06 assign (resid 22 and name HB2) (resid 23 and name HN) 4.0 2.2 1.0 ! A.386 at -1.48e+06 assign (resid 22 and name HN) (resid 23 and name HN) 3.0 1.2 0.5 ! A.398 at 5.32e+06 assign (resid 22 and name HA) (resid 67 and name HB#) 2.5 0.7 0.7 ! A.377 at -1.57e+07 assign (resid 22 and name HB1) (resid 67 and name HB#) 3.0 1.2 0.8 ! A.387 at -2.20e+06 assign (resid 22 and name HB2) (resid 67 and name HB#) 3.0 1.2 0.8 ! A.388 at -2.35e+06 assign (resid 22 and name HN) (resid 67 and name HB#) 3.0 1.2 1.6 ! A.399 at 3.09e+06 assign (resid 22 and name HA) (resid 68 and name HN) 3.0 1.2 0.5 ! A.378 at -2.09e+06 assign (resid 22 and name HN) (resid 68 and name HG) 4.0 2.2 1.0 ! A.401 at 1.35e+06 ! T23 assign (resid 23 and name HA) (resid 23 and name HG2#) 3.0 1.2 0.8 ! A.402 at -7.08e+06 assign (resid 23 and name HB) (resid 23 and name HN) 4.0 2.2 1.0 ! A.409 at -1.81e+06 assign (resid 23 and name HG2#) (resid 23 and name HN) 3.0 1.2 1.0 ! A.413 at -5.27e+06 assign (resid 23 and name HA) (resid 24 and name HG2) 3.0 1.2 0.3 ! A.404 at -3.41e+06 assign (resid 23 and name HA) (resid 24 and name HN) 2.5 0.7 0.4 ! A.447 at 1.60e+07 assign (resid 23 and name HG2#) (resid 24 and name HN) 3.0 1.2 1.0 ! A.414 at -1.28e+07 assign (resid 23 and name HA) (resid 24 and name HG1) 3.0 1.2 0.3 ! A.434 at -2.74e+06 assign (resid 23 and name HN) (resid 24 and name HN) 4.0 2.2 1.0 ! A.449 at 1.73e+06 assign (resid 23 and name HG2#) (resid 27 and name HB1) 2.5 0.7 0.7 ! A.415 at -1.62e+07 assign (resid 23 and name HG2#) (resid 27 and name HN) 3.0 1.2 1.0 ! A.416 at -6.31e+06 assign (resid 23 and name HA) (resid 28 and name HN) 4.0 2.2 1.0 ! A.406 at -1.62e+06 assign (resid 23 and name HG2#) (resid 28 and name HA) 3.0 1.2 0.8 ! A.417 at -5.46e+06 assign (resid 23 and name HG2#) (resid 28 and name HB#) 2.5 0.7 1.2 ! A.418 at -1.40e+07 assign (resid 23 and name HG2#) (resid 28 and name HN) 3.0 1.2 1.0 ! A.419 at -7.65e+06 assign (resid 23 and name HB) (resid 28 and name HN) 3.0 1.2 0.5 ! A.566 at 2.17e+06 assign (resid 23 and name HA) (resid 68 and name HD1#) 4.0 2.2 1.5 ! A.407 at -1.61e+06 assign (resid 23 and name HB) (resid 68 and name HD1#) 3.0 1.2 0.8 ! A.410 at -2.19e+06 assign (resid 23 and name HG2#) (resid 68 and name HD1#) 3.0 1.2 1.3 ! A.420 at -1.11e+07 assign (resid 23 and name HN) (resid 68 and name HD1#) 3.0 1.2 1.0 ! A.430 at 4.89e+06 assign (resid 23 and name HN) (resid 68 and name HG) 4.0 2.2 1.0 ! A.431 at 1.58e+06 assign (resid 23 and name HN) (resid 68 and name HN) 4.0 2.2 1.0 ! A.432 at 1.72e+06 assign (resid 23 and name HN) (resid 69 and name HN) 4.0 2.2 1.0 ! A.433 at 1.19e+06 ! M24 assign (resid 24 and name HG1) (resid 24 and name HA) 3.0 1.2 0.3 ! A.436 at -2.36e+06 assign (resid 24 and name HG1) (resid 24 and name HE#) 3.0 1.2 0.8 ! A.440 at -3.20e+06 assign (resid 24 and name HG1) (resid 24 and name HN) 3.0 1.2 0.5 ! A.443 at -4.14e+06 assign (resid 24 and name HG2) (resid 24 and name HA) 4.0 2.2 1.0 ! A.437 at -1.91e+06 assign (resid 24 and name HG2) (resid 24 and name HN) 3.0 1.2 0.5 ! A.444 at -3.92e+06 assign (resid 24 and name HN) (resid 24 and name HB1) 3.0 1.2 0.5 ! A.451 at 7.96e+06 assign (resid 24 and name HN) (resid 24 and name HE#) 3.0 1.2 1.0 ! A.452 at 2.17e+06 assign (resid 24 and name HN) (resid 25 and name HN) 4.0 2.2 1.0 ! A.455 at 1.57e+06 assign (resid 24 and name HA) (resid 25 and name HN) 3.0 1.2 0.5 ! A.486 at 4.85e+06 assign (resid 24 and name HB1) (resid 25 and name HN) 3.0 1.2 0.5 ! A.487 at 2.71e+06 assign (resid 24 and name HE#) (resid 25 and name HN) 4.0 2.2 1.5 ! A.488 at 1.80e+06 assign (resid 24 and name HG2) (resid 25 and name HN) 4.0 2.2 2.0 ! A.489 at 5.16e+05 assign (resid 24 and name HA) (resid 26 and name HN) 3.0 1.2 0.5 ! A.521 at 2.05e+06 assign (resid 24 and name HB1) (resid 26 and name HN) 3.0 1.2 0.5 ! A.522 at 5.11e+06 assign (resid 24 and name HE#) (resid 26 and name HN) 4.0 2.2 1.5 ! A.523 at 2.00e+06 assign (resid 24 and name HN) (resid 26 and name HN) 4.0 2.2 2.0 ! A.524 at 9.65e+05 assign (resid 24 and name HG1) (resid 27 and name HN) 4.0 2.2 1.0 ! A.445 at -1.87e+06 assign (resid 24 and name HG2) (resid 27 and name HN) 4.0 2.2 1.0 ! A.446 at -1.27e+06 assign (resid 24 and name HN) (resid 27 and name HN) 3.0 1.2 0.5 ! A.542 at 2.85e+06 assign (resid 24 and name HB1) (resid 27 and name HN) 3.0 1.2 0.5 ! A.541 at 8.36e+06 assign (resid 24 and name HN) (resid 28 and name HB#) 4.0 2.2 1.5 ! A.457 at 2.00e+06 assign (resid 24 and name HN) (resid 28 and name HN) 4.0 2.2 1.0 ! A.458 at 1.25e+06 assign (resid 24 and name HB1) (resid 28 and name HN) 3.0 1.2 1.6 ! A.568 at 2.56e+06 assign (resid 24 and name HE#) (resid 65 and name HA1) 4.0 2.2 1.5 ! A.1304 at -1.67e+06 assign (resid 24 and name HE#) (resid 65 and name HA2) 4.0 2.2 1.5 ! A.1305 at -1.33e+06 assign (resid 24 and name HN) (resid 68 and name HD1#) 4.0 2.2 1.5 ! A.459 at 1.29e+06 ! V25 assign (resid 25 and name HA) (resid 25 and name HG1#) 3.0 1.2 0.8 ! A.461 at -5.62e+06 assign (resid 25 and name HA) (resid 25 and name HG2#) 3.0 1.2 0.8 ! A.462 at -1.29e+07 assign (resid 25 and name HG1#) (resid 25 and name HN) 3.0 1.2 1.0 ! A.473 at -6.04e+06 assign (resid 25 and name HG2#) (resid 25 and name HN) 3.0 1.2 1.0 ! A.479 at -1.04e+07 assign (resid 25 and name HN) (resid 25 and name HB) 3.0 1.2 0.5 ! A.492 at 4.62e+06 assign (resid 25 and name HG1#) (resid 26 and name HN) 3.0 1.2 1.0 ! A.474 at -5.51e+06 assign (resid 25 and name HG2#) (resid 26 and name HN) 3.0 1.2 1.0 ! A.480 at -4.37e+06 assign (resid 25 and name HN) (resid 26 and name HN) 3.0 1.2 0.5 ! A.495 at 2.01e+06 assign (resid 25 and name HG1#) (resid 26 and name HA) 3.0 1.2 0.8 ! A.504 at -2.06e+06 assign (resid 25 and name HB) (resid 26 and name HN) 3.0 1.2 0.5 ! A.525 at 4.76e+06 assign (resid 25 and name HN) (resid 27 and name HN) 4.0 2.2 1.0 ! A.544 at 1.70e+06 assign (resid 25 and name HG1#) (resid 27 and name HN) 3.0 1.2 1.6 ! A.543 at 2.99e+06 assign (resid 25 and name HA) (resid 28 and name HN) 3.0 1.2 0.5 ! A.570 at 3.03e+06 assign (resid 25 and name HA) (resid 28 and name HB#) 3.0 1.2 0.8 ! A.559 at -8.45e+06 assign (resid 25 and name HG1#) (resid 29 and name HN) 3.0 1.2 1.0 ! A.591 at 4.11e+06 assign (resid 25 and name HG2#) (resid 62 and name HB1) 3.0 1.2 0.8 ! A.481 at -9.04e+06 assign (resid 25 and name HG2#) (resid 62 and name HD1#) 2.5 0.7 1.2 ! A.1221 at -1.61e+07 assign (resid 25 and name HG2#) (resid 62 and name HD2#) 3.0 1.2 1.3 ! A.483 at -6.34e+06 assign (resid 25 and name HA) (resid 64 and name HA) 4.0 2.2 1.0 ! A.465 at -1.69e+06 assign (resid 25 and name HB) (resid 64 and name HA) 3.0 1.2 0.3 ! A.1272 at -3.75e+06 assign (resid 25 and name HG1#) (resid 64 and name HA) 2.5 0.7 0.7 ! A.475 at -1.38e+07 assign (resid 25 and name HN) (resid 64 and name HA) 3.0 1.2 0.5 ! A.497 at 2.50e+06 assign (resid 25 and name HG2#) (resid 64 and name HA) 3.0 1.2 0.8 ! A.1274 at -3.58e+06 assign (resid 25 and name HB) (resid 64 and name HN) 3.0 1.2 0.5 ! A.1290 at 2.55e+06 assign (resid 25 and name HG1#) (resid 64 and name HN) 3.0 1.2 1.0 ! A.1291 at 4.96e+06 assign (resid 25 and name HN) (resid 64 and name HN) 4.0 2.2 1.0 ! A.1292 at 1.56e+06 assign (resid 25 and name HN) (resid 65 and name HA1) 4.0 2.2 1.0 ! A.498 at 1.36e+06 assign (resid 25 and name HN) (resid 66 and name HN) 3.0 1.2 0.5 ! A.1338 at 3.72e+06 assign (resid 25 and name HB) (resid 66 and name HN) 3.0 1.2 0.5 ! A.1336 at 4.36e+06 assign (resid 25 and name HG1#) (resid 66 and name HN) 3.0 1.2 1.0 ! A.1337 at 3.46e+06 assign (resid 25 and name HN) (resid 67 and name HA) 3.0 1.2 0.5 ! A.1353 at -2.59e+06 assign (resid 25 and name HN) (resid 67 and name HN) 4.0 2.2 1.0 ! A.501 at 1.34e+06 assign (resid 25 and name HA) (resid 68 and name HD2#) 3.0 1.2 0.8 ! A.466 at -3.43e+06 assign (resid 25 and name HG2#) (resid 68 and name HA) 3.0 1.2 0.8 ! A.484 at -8.72e+06 assign (resid 25 and name HG2#) (resid 68 and name HD2#) 3.0 1.2 1.3 ! A.485 at -1.30e+07 assign (resid 25 and name HN) (resid 68 and name HD2#) 3.0 1.2 1.0 ! A.1397 at -3.48e+06 assign (resid 25 and name HN) (resid 68 and name HN) 3.0 1.2 1.2 ! A.503 at 2.06e+06 ! Y26 assign (resid 26 and name HB1) (resid 26 and name HN) 3.0 1.2 0.5 ! A.516 at -2.66e+06 assign (resid 26 and name HN) (resid 26 and name HB2) 3.0 1.2 0.5 ! A.531 at 8.67e+06 assign (resid 26 and name HA) (resid 27 and name HN) 3.0 1.2 0.5 ! A.508 at -3.19e+06 assign (resid 26 and name HB1) (resid 27 and name HN) 3.0 1.2 0.5 ! A.546 at 4.39e+06 assign (resid 26 and name HN) (resid 27 and name HN) 3.0 1.2 0.5 ! A.532 at 4.97e+06 assign (resid 26 and name HB2) (resid 27 and name HN) 3.0 1.2 1.3 ! A.547 at 3.38e+06 assign (resid 26 and name HA) (resid 29 and name HN) 4.0 2.2 1.0 ! A.509 at -1.37e+06 assign (resid 26 and name HN) (resid 29 and name HN) 4.0 2.2 1.0 ! A.533 at 1.29e+06 assign (resid 26 and name HA) (resid 30 and name HN) 4.0 2.2 1.0 ! A.619 at 1.82e+06 assign (resid 26 and name HA) (resid 64 and name HA) 3.0 1.2 0.3 ! A.510 at -2.80e+06 assign (resid 26 and name HA) (resid 64 and name HB#) 3.0 1.2 0.8 ! A.511 at -4.30e+06 assign (resid 26 and name HB1) (resid 64 and name HA) 4.0 2.2 1.0 ! A.518 at -1.49e+06 assign (resid 26 and name HB1) (resid 64 and name HB#) 2.5 0.7 0.7 ! A.1282 at -1.36e+07 assign (resid 26 and name HB2) (resid 64 and name HB#) 2.5 0.7 0.7 ! A.1283 at -1.31e+07 assign (resid 26 and name HN) (resid 64 and name HA) 3.0 1.2 0.5 ! A.534 at 5.92e+06 assign (resid 26 and name HN) (resid 64 and name HB#) 3.0 1.2 1.0 ! A.535 at 8.10e+06 assign (resid 26 and name HN) (resid 64 and name HN) 3.0 1.2 1.2 ! A.1294 at 2.47e+06 assign (resid 26 and name HB1) (resid 64 and name HN) 4.0 2.2 1.0 ! A.1293 at 1.77e+06 assign (resid 26 and name HN) (resid 66 and name HN) 3.0 1.2 0.5 ! A.1340 at 2.36e+06 assign (resid 26 and name HB1) (resid 66 and name HN) 3.0 1.2 1.3 ! A.1339 at 2.15e+06 ! D27 assign (resid 27 and name HB1) (resid 27 and name HN) 3.0 1.2 0.5 ! A.539 at -6.29e+06 assign (resid 27 and name HN) (resid 28 and name HA) 4.0 2.2 1.0 ! A.550 at 1.47e+06 assign (resid 27 and name HN) (resid 28 and name HB#) 3.0 1.2 1.0 ! A.551 at 6.78e+06 assign (resid 27 and name HN) (resid 28 and name HN) 3.0 1.2 0.5 ! A.552 at 1.20e+07 assign (resid 27 and name HA) (resid 28 and name HN) 4.0 2.2 1.0 ! A.571 at 1.95e+06 assign (resid 27 and name HB1) (resid 28 and name HN) 3.0 1.2 0.5 ! A.572 at 8.34e+06 assign (resid 27 and name HN) (resid 29 and name HN) 3.0 1.2 0.5 ! A.553 at 2.88e+06 assign (resid 27 and name HB1) (resid 29 and name HN) 3.0 1.2 1.4 ! A.593 at 4.31e+06 assign (resid 27 and name HA) (resid 30 and name HA) 4.0 2.2 1.0 ! A.603 at -1.32e+06 assign (resid 27 and name HA) (resid 30 and name HN) 3.0 1.2 0.5 ! A.620 at 3.83e+06 assign (resid 27 and name HB1) (resid 30 and name HN) 3.0 1.2 1.2 ! A.621 at 4.28e+06 assign (resid 27 and name HN) (resid 30 and name HN) 3.0 1.2 1.1 ! A.622 at 2.46e+06 ! A28 assign (resid 28 and name HB#) (resid 28 and name HN) 2.5 0.7 0.9 ! A.562 at -1.48e+07 assign (resid 28 and name HB#) (resid 29 and name HN) 3.0 1.2 1.0 ! A.563 at -6.91e+06 assign (resid 28 and name HN) (resid 29 and name HN) 3.0 1.2 0.5 ! A.576 at 4.31e+06 assign (resid 28 and name HB#) (resid 29 and name HA) 4.0 2.2 1.5 ! A.580 at -1.23e+06 assign (resid 28 and name HA) (resid 29 and name HN) 4.0 2.2 1.0 ! A.595 at 1.18e+06 assign (resid 28 and name HA) (resid 30 and name HN) 3.0 1.2 0.5 ! A.623 at 2.20e+06 assign (resid 28 and name HB#) (resid 30 and name HN) 3.0 1.2 1.0 ! A.624 at 3.26e+06 assign (resid 28 and name HN) (resid 30 and name HN) 3.0 1.2 0.5 ! A.625 at 2.66e+06 assign (resid 28 and name HA) (resid 31 and name HB2) 3.0 1.2 0.3 ! A.557 at -3.33e+06 assign (resid 28 and name HN) (resid 31 and name HB2) 4.0 2.2 1.0 ! A.577 at 1.68e+06 assign (resid 28 and name HA) (resid 31 and name HN) 3.0 1.2 0.5 ! A.644 at 2.14e+06 assign (resid 28 and name HB#) (resid 31 and name HN) 4.0 2.2 1.5 ! A.645 at 1.36e+06 assign (resid 28 and name HB#) (resid 49 and name HD1#) 3.0 1.2 1.3 ! A.564 at -1.09e+07 assign (resid 28 and name HN) (resid 49 and name HD1#) 3.0 1.2 1.5 ! A.578 at 3.25e+06 assign (resid 28 and name HB#) (resid 68 and name HD2#) 2.5 0.7 1.2 ! A.565 at -1.38e+07 assign (resid 28 and name HN) (resid 68 and name HD2#) 3.0 1.2 1.0 ! A.579 at 2.50e+06 ! C29 assign (resid 29 and name HN) (resid 29 and name HB1) 3.0 1.2 0.5 ! A.599 at 5.54e+06 assign (resid 29 and name HN) (resid 29 and name HB2) 3.0 1.2 0.5 ! A.600 at 4.66e+06 assign (resid 29 and name HA) (resid 30 and name HN) 3.0 1.2 0.5 ! A.584 at -2.18e+06 assign (resid 29 and name HN) (resid 30 and name HN) 3.0 1.2 0.5 ! A.601 at 3.25e+06 assign (resid 29 and name HB2) (resid 30 and name HN) 3.0 1.2 0.5 ! A.626 at 4.92e+06 assign (resid 29 and name HA) (resid 32 and name HD1#) 3.0 1.2 0.8 ! A.585 at -2.87e+06 assign (resid 29 and name HA) (resid 32 and name HN) 3.0 1.2 0.5 ! A.675 at 2.93e+06 assign (resid 29 and name HA) (resid 49 and name HD1#) 3.0 1.2 0.8 ! A.586 at -4.58e+06 assign (resid 29 and name HN) (resid 49 and name HD1#) 3.0 1.2 1.0 ! A.602 at 4.11e+06 assign (resid 29 and name HA) (resid 49 and name HG) 4.0 2.2 1.0 ! A.862 at -1.53e+06 ! R30 assign (resid 30 and name HA) (resid 30 and name HD1) 3.0 1.2 0.3 ! A.606 at -2.78e+06 assign (resid 30 and name HA) (resid 30 and name HG1) 3.0 1.2 0.3 ! A.607 at -6.40e+06 assign (resid 30 and name HA) (resid 30 and name HG2) 3.0 1.2 0.3 ! A.608 at -3.73e+06 assign (resid 30 and name HB1) (resid 30 and name HN) 3.0 1.2 0.5 ! A.615 at -2.84e+06 assign (resid 30 and name HN) (resid 30 and name HB2) 3.0 1.2 0.5 ! A.629 at 1.16e+07 assign (resid 30 and name HN) (resid 30 and name HD1) 3.0 1.2 1.3 ! A.630 at 8.41e+06 assign (resid 30 and name HN) (resid 30 and name HG1) 3.0 1.2 1.4 ! A.631 at 5.24e+06 assign (resid 30 and name HN) (resid 30 and name HG2) 3.0 1.2 1.2 ! A.632 at 4.27e+06 assign (resid 30 and name HA) (resid 31 and name HN) 3.0 1.2 0.5 ! A.610 at -4.26e+06 assign (resid 30 and name HN) (resid 31 and name HG1) 3.0 1.2 0.5 ! A.633 at 2.20e+06 assign (resid 30 and name HB2) (resid 31 and name HN) 3.0 1.2 0.5 ! A.646 at 2.64e+06 assign (resid 30 and name HD1) (resid 31 and name HN) 4.0 2.2 1.0 ! A.647 at 1.48e+06 assign (resid 30 and name HG1) (resid 31 and name HN) 4.0 2.2 1.0 ! A.648 at 1.49e+06 assign (resid 30 and name HG2) (resid 31 and name HN) 3.0 1.2 1.0 ! A.649 at 2.15e+06 assign (resid 30 and name HN) (resid 31 and name HN) 3.0 1.2 0.5 ! A.650 at 4.44e+06 assign (resid 30 and name HA) (resid 32 and name HN) 4.0 2.2 1.0 ! A.611 at -1.47e+06 assign (resid 30 and name HN) (resid 32 and name HN) 4.0 2.2 1.0 ! A.634 at 1.68e+06 assign (resid 30 and name HA) (resid 33 and name HN) 3.0 1.2 0.5 ! A.612 at -2.59e+06 assign (resid 30 and name HN) (resid 33 and name HN) 4.0 2.2 1.0 ! A.635 at 1.72e+06 ! M31 assign (resid 31 and name HA) (resid 31 and name HG1) 3.0 1.2 0.3 ! A.639 at -4.78e+06 assign (resid 31 and name HA) (resid 31 and name HG2) 3.0 1.2 0.3 ! A.640 at -3.27e+06 assign (resid 31 and name HN) (resid 31 and name HB1) 4.0 2.2 1.0 ! A.652 at 1.78e+06 assign (resid 31 and name HN) (resid 31 and name HB2) 3.0 1.2 0.5 ! A.653 at 3.68e+06 assign (resid 31 and name HN) (resid 31 and name HG1) 3.0 1.2 0.5 ! A.654 at 4.60e+06 assign (resid 31 and name HN) (resid 31 and name HG2) 3.0 1.2 0.5 ! A.655 at 3.02e+06 assign (resid 31 and name HA) (resid 32 and name HN) 3.0 1.2 0.5 ! A.642 at -2.35e+06 assign (resid 31 and name HN) (resid 32 and name HN) 3.0 1.2 0.5 ! A.679 at 3.02e+06 assign (resid 31 and name HG1) (resid 32 and name HN) 4.0 2.2 1.0 ! A.678 at 1.09e+06 assign (resid 31 and name HA) (resid 34 and name HN) 3.0 1.2 0.5 ! A.643 at -2.84e+06 assign (resid 31 and name HN) (resid 34 and name HN) 4.0 2.2 1.0 ! A.711 at 1.62e+06 ! I32 assign (resid 32 and name HA) (resid 32 and name HD1#) 3.0 1.2 0.8 ! A.658 at -3.16e+06 assign (resid 32 and name HA) (resid 32 and name HG11) 4.0 2.2 1.0 ! A.659 at -1.43e+06 assign (resid 32 and name HA) (resid 32 and name HG12) 4.0 2.2 1.0 ! A.660 at -1.79e+06 assign (resid 32 and name HA) (resid 32 and name HG2#) 3.0 1.2 0.8 ! A.661 at -3.19e+06 assign (resid 32 and name HD1#) (resid 32 and name HB) 3.0 1.2 0.8 ! A.668 at -6.59e+06 assign (resid 32 and name HD1#) (resid 32 and name HN) 3.0 1.2 1.0 ! A.672 at -3.91e+06 assign (resid 32 and name HN) (resid 32 and name HB) 3.0 1.2 0.5 ! A.681 at 3.63e+06 assign (resid 32 and name HN) (resid 32 and name HG11) 3.0 1.2 0.5 ! A.683 at 3.41e+06 assign (resid 32 and name HN) (resid 32 and name HG12) 3.0 1.2 0.5 ! A.684 at 3.00e+06 assign (resid 32 and name HN) (resid 32 and name HG2#) 3.0 1.2 1.0 ! A.685 at 5.03e+06 assign (resid 32 and name HA) (resid 33 and name HN) 4.0 2.2 1.0 ! A.663 at -1.45e+06 assign (resid 32 and name HD1#) (resid 33 and name HN) 3.0 1.2 1.0 ! A.673 at -3.03e+06 assign (resid 32 and name HN) (resid 33 and name HN) 3.0 1.2 0.5 ! A.686 at 2.43e+06 assign (resid 32 and name HB) (resid 33 and name HA) 4.0 2.2 1.0 ! A.687 at -1.79e+06 assign (resid 32 and name HG2#) (resid 33 and name HA) 3.0 1.2 0.8 ! A.688 at -2.86e+06 assign (resid 32 and name HG2#) (resid 34 and name HN) 4.0 2.2 1.5 ! A.712 at 1.94e+06 assign (resid 32 and name HN) (resid 34 and name HN) 4.0 2.2 1.0 ! A.713 at 1.61e+06 assign (resid 32 and name HA) (resid 35 and name HB2) 3.0 1.2 0.3 ! A.664 at -3.08e+06 assign (resid 32 and name HA) (resid 35 and name HN) 4.0 2.2 1.0 ! A.728 at 1.76e+06 assign (resid 32 and name HG2#) (resid 35 and name HN) 3.0 1.2 1.0 ! A.729 at 2.16e+06 assign (resid 32 and name HG2#) (resid 81 and name HB2) 4.0 2.2 1.5 ! A.1698 at -1.93e+06 ! R33 assign (resid 33 and name HA) (resid 33 and name HD1) 4.0 2.2 1.0 ! A.690 at -1.05e+06 assign (resid 33 and name HA) (resid 33 and name HD2) 4.0 2.2 2.0 ! A.691 at -4.17e+05 assign (resid 33 and name HA) (resid 33 and name HG1) 4.0 2.2 1.0 ! A.692 at -1.86e+06 assign (resid 33 and name HA) (resid 34 and name HN) 3.0 1.2 0.5 ! A.714 at 2.46e+06 assign (resid 33 and name HD1) (resid 34 and name HN) 4.0 2.2 1.0 ! A.715 at 1.50e+06 assign (resid 33 and name HD2) (resid 34 and name HN) 4.0 2.2 1.0 ! A.716 at 1.17e+06 assign (resid 33 and name HG1) (resid 34 and name HN) 4.0 2.2 1.0 ! A.717 at 1.76e+06 assign (resid 33 and name HA) (resid 35 and name HN) 3.0 1.2 0.5 ! A.730 at 2.02e+06 assign (resid 33 and name HA) (resid 39 and name HB#) 3.0 1.2 0.8 ! A.694 at -3.35e+06 assign (resid 33 and name HA) (resid 40 and name HD1#) 4.0 2.2 1.5 ! A.695 at -1.92e+06 assign (resid 33 and name HA) (resid 40 and name HD2#) 3.0 1.2 0.8 ! A.696 at -2.28e+06 assign (resid 33 and name HD1) (resid 44 and name HB1) 2.5 0.7 0.2 ! A.697 at -1.33e+07 ! E34 assign (resid 34 and name HA) (resid 34 and name HG1) 2.5 0.7 1.1 ! A.699 at -1.40e+07 assign (resid 34 and name HA) (resid 34 and name HG2) 2.5 0.7 0.2 ! A.700 at -1.51e+07 assign (resid 34 and name HG1) (resid 34 and name HN) 3.0 1.2 0.5 ! A.708 at -8.20e+06 assign (resid 34 and name HG2) (resid 34 and name HN) 3.0 1.2 0.5 ! A.709 at -7.34e+06 assign (resid 34 and name HN) (resid 34 and name HB2) 2.5 0.7 0.4 ! A.719 at 1.48e+07 assign (resid 34 and name HN) (resid 35 and name HA) 4.0 2.2 1.1 ! A.722 at 2.02e+06 assign (resid 34 and name HN) (resid 35 and name HB2) 3.0 1.2 1.1 ! A.723 at 6.77e+06 assign (resid 34 and name HN) (resid 35 and name HN) 3.0 1.2 0.5 ! A.724 at 5.73e+06 assign (resid 34 and name HA) (resid 35 and name HN) 3.0 1.2 0.5 ! A.731 at 4.08e+06 assign (resid 34 and name HG1) (resid 35 and name HN) 3.0 1.2 0.5 ! A.732 at 2.99e+06 assign (resid 34 and name HG2) (resid 35 and name HN) 3.0 1.2 1.2 ! A.733 at 2.12e+06 ! R35 assign (resid 35 and name HA) (resid 35 and name HG1) 3.0 1.2 0.3 ! A.725 at -9.41e+06 assign (resid 35 and name HN) (resid 35 and name HB1) 3.0 1.2 0.5 ! A.735 at 8.75e+06 assign (resid 35 and name HN) (resid 35 and name HD1) 3.0 1.2 0.5 ! A.736 at 2.68e+06 assign (resid 35 and name HN) (resid 35 and name HG1) 2.5 0.7 1.0 ! A.737 at 1.61e+07 !! relaxed assign (resid 35 and name HN) (resid 36 and name HA) 4.0 2.2 2.0 ! A.738 at 4.25e+05 ! I36 assign (resid 36 and name HA) (resid 39 and name HN) 3.0 1.2 1.1 ! A.748 at 2.37e+06 assign (resid 36 and name HB) (resid 39 and name HN) 4.0 2.2 1.0 ! A.749 at 1.65e+06 ! P37 assign (resid 37 and name HA) (resid 37 and name HG2) 3.0 1.2 0.9 ! A.739 at -6.10e+06 ! E38 assign (resid 38 and name HB1) (resid 39 and name HN) 4.0 2.2 1.0 ! A.750 at 1.81e+06 assign (resid 38 and name HB2) (resid 39 and name HN) 3.0 1.2 0.5 ! A.751 at 2.41e+06 assign (resid 38 and name HA) (resid 41 and name HN) 4.0 2.2 2.0 ! A.761 at 8.33e+05 ! A39 assign (resid 39 and name HA) (resid 40 and name HG) 4.0 2.2 1.0 ! A.744 at -1.38e+06 assign (resid 39 and name HA) (resid 41 and name HN) 3.0 1.2 0.5 ! A.745 at -4.72e+06 ! L40 assign (resid 40 and name HA) (resid 40 and name HD2#) 2.5 0.7 0.7 ! A.753 at -1.70e+07 assign (resid 40 and name HA) (resid 41 and name HN) 3.0 1.2 0.5 ! A.754 at -9.83e+06 assign (resid 40 and name HD2#) (resid 41 and name HN) 4.0 2.2 1.5 ! A.763 at 1.14e+06 assign (resid 40 and name HG) (resid 41 and name HN) 4.0 2.2 1.0 ! A.764 at 1.05e+06 assign (resid 40 and name HA) (resid 42 and name HN) 3.0 1.2 0.5 ! A.755 at -2.72e+06 assign (resid 40 and name HD2#) (resid 42 and name HN) 4.0 2.2 2.5 ! A.775 at 8.73e+05 ! A41 assign (resid 41 and name HN) (resid 41 and name HB#) 3.0 1.2 1.0 ! A.766 at 6.34e+06 assign (resid 41 and name HA) (resid 42 and name HN) 2.5 0.7 0.4 ! A.759 at -1.40e+07 assign (resid 41 and name HN) (resid 42 and name HN) 4.0 2.2 1.0 ! A.767 at 1.21e+06 assign (resid 41 and name HB#) (resid 42 and name HN) 3.0 1.2 1.0 ! A.776 at 3.91e+06 ! G42 assign (resid 42 and name HA1) (resid 43 and name HD1) 3.0 1.2 0.3 ! A.772 at -4.60e+06 assign (resid 42 and name HA1) (resid 43 and name HG1) 3.0 1.2 1.0 ! A.774 at -2.37e+06 assign (resid 42 and name HA2) (resid 43 and name HD1) 3.0 1.2 0.3 ! A.773 at -3.92e+06 assign (resid 42 and name HN) (resid 43 and name HD1) 4.0 2.2 2.0 ! A.780 at 8.93e+05 ! P43 assign (resid 43 and name HB2) (resid 43 and name HD1) 3.0 1.2 1.0 ! A.781 at -5.27e+06 assign (resid 43 and name HB1) (resid 45 and name HN) 3.0 1.2 0.5 ! A.787 at 2.13e+06 assign (resid 43 and name HB2) (resid 45 and name HN) 3.0 1.2 0.5 ! A.788 at 8.37e+06 assign (resid 43 and name HB2) (resid 46 and name HN) 3.0 1.2 0.5 ! A.801 at 5.75e+06 assign (resid 43 and name HD1) (resid 46 and name HN) 3.0 1.2 1.1 ! A.802 at 2.91e+06 ! P44 assign (resid 44 and name HA) (resid 45 and name HN) 3.0 1.2 0.5 ! A.789 at 3.94e+06 assign (resid 44 and name HB2) (resid 45 and name HN) 3.0 1.2 0.5 ! A.790 at 2.54e+06 assign (resid 44 and name HD1) (resid 45 and name HN) 3.0 1.2 0.5 ! A.791 at 4.80e+06 assign (resid 44 and name HA) (resid 46 and name HN) 3.0 1.2 0.5 ! A.803 at 2.22e+06 assign (resid 44 and name HA) (resid 47 and name HN) 3.0 1.2 0.5 ! A.818 at 2.03e+06 ! N45 assign (resid 45 and name HB1) (resid 45 and name HN) 2.5 0.7 0.4 ! A.785 at -1.43e+07 assign (resid 45 and name HB1) (resid 46 and name HN) 3.0 1.2 0.5 ! A.786 at -4.85e+06 assign (resid 45 and name HN) (resid 46 and name HN) 3.0 1.2 0.5 ! A.794 at 7.99e+06 assign (resid 45 and name HA) (resid 46 and name HN) 3.0 1.2 0.5 ! A.804 at 5.96e+06 assign (resid 45 and name HN) (resid 47 and name HN) 4.0 2.2 1.0 ! A.795 at 1.95e+06 assign (resid 45 and name HA) (resid 47 and name HN) 3.0 1.2 0.5 ! A.819 at 3.22e+06 assign (resid 45 and name HB1) (resid 47 and name HN) 3.0 1.2 1.6 ! A.820 at 3.17e+06 ! D46 assign (resid 46 and name HN) (resid 46 and name HB1) 2.5 0.7 0.4 ! A.808 at 1.32e+07 assign (resid 46 and name HN) (resid 46 and name HB2) 3.0 1.2 0.5 ! A.809 at 1.12e+07 assign (resid 46 and name HA) (resid 47 and name HN) 3.0 1.2 0.5 ! A.799 at -5.50e+06 assign (resid 46 and name HN) (resid 47 and name HN) 3.0 1.2 0.5 ! A.810 at 1.26e+07 assign (resid 46 and name HB2) (resid 47 and name HN) 3.0 1.2 1.2 ! A.822 at 2.87e+06 assign (resid 46 and name HN) (resid 83 and name HG1) 4.0 2.2 1.0 ! A.811 at 1.45e+06 assign (resid 46 and name HA) (resid 84 and name HB2) 3.0 1.2 0.3 ! A.800 at -4.22e+06 assign (resid 46 and name HN) (resid 84 and name HB2) 3.0 1.2 0.5 ! A.812 at 2.42e+06 !assign (resid 46 and name HN) (resid 84 and name HN) 4.0 2.2 1.0 ! A.813 at 1.31e+06 assign (resid 46 and name HA) (resid 84 and name HN) 4.0 2.2 1.0 ! A.1820 at 1.61e+06 assign (resid 46 and name HB1) (resid 84 and name HN) 4.0 2.2 1.0 ! A.1821 at 1.02e+06 assign (resid 46 and name HA) (resid 85 and name HN) 3.0 1.2 0.5 ! A.1854 at 5.07e+06 ! F47 assign (resid 47 and name HB1) (resid 47 and name HN) 4.0 2.2 1.0 ! A.816 at -1.26e+06 assign (resid 47 and name HN) (resid 47 and name HB2) 3.0 1.2 0.5 ! A.826 at 6.85e+06 assign (resid 47 and name HB1) (resid 48 and name HN) 3.0 1.2 1.7 ! A.839 at 3.10e+06 assign (resid 47 and name HN) (resid 48 and name HA2) 4.0 2.2 1.0 ! A.827 at 1.43e+06 assign (resid 47 and name HA) (resid 48 and name HN) 3.0 1.2 0.5 ! A.838 at 5.73e+06 assign (resid 47 and name HB2) (resid 48 and name HN) 3.0 1.2 1.2 ! A.840 at 3.66e+06 assign (resid 47 and name HN) (resid 48 and name HN) 3.0 1.2 0.5 ! A.841 at 2.40e+06 assign (resid 47 and name HN) (resid 83 and name HA) 3.0 1.2 1.0 ! A.828 at 2.63e+06 assign (resid 47 and name HN) (resid 83 and name HG1) 4.0 2.2 1.0 ! A.829 at 1.27e+06 assign (resid 47 and name HA) (resid 83 and name HA) 4.0 2.2 1.0 ! A.1748 at -1.76e+06 assign (resid 47 and name HN) (resid 84 and name HB2) 3.0 1.2 0.5 ! A.830 at 2.78e+06 assign (resid 47 and name HN) (resid 84 and name HG1) 4.0 2.2 1.0 ! A.831 at 1.97e+06 assign (resid 47 and name HN) (resid 84 and name HG2) 4.0 2.2 1.0 ! A.832 at 1.90e+06 assign (resid 47 and name HN) (resid 84 and name HN) 4.0 2.2 1.0 ! A.833 at 1.61e+06 assign (resid 47 and name HA) (resid 84 and name HN) 3.0 1.2 0.5 ! A.1822 at 3.71e+06 assign (resid 47 and name HB1) (resid 84 and name HN) 4.0 2.2 1.0 ! A.1823 at 1.25e+06 assign (resid 47 and name HB2) (resid 84 and name HN) 4.0 2.2 1.0 ! A.1824 at 1.50e+06 ! G48 assign (resid 48 and name HA2) (resid 49 and name HN) 3.0 1.2 0.5 ! A.869 at 7.92e+06 assign (resid 48 and name HN) (resid 49 and name HN) 3.0 1.2 1.0 ! A.844 at 2.04e+06 assign (resid 48 and name HA2) (resid 49 and name HG) 4.0 2.2 1.0 ! A.863 at -1.53e+06 assign (resid 48 and name HA1) (resid 49 and name HN) 3.0 1.2 0.5 ! A.868 at 6.95e+06 assign (resid 48 and name HN) (resid 81 and name HA) 4.0 2.2 1.0 ! A.845 at 1.55e+06 assign (resid 48 and name HN) (resid 82 and name HA) 4.0 2.2 1.0 ! A.846 at 1.57e+06 assign (resid 48 and name HN) (resid 82 and name HG2) 4.0 2.2 1.3 ! A.847 at 2.06e+06 assign (resid 48 and name HN) (resid 83 and name HA) 3.0 1.2 0.5 ! A.848 at 2.70e+06 assign (resid 48 and name HN) (resid 84 and name HB2) 3.0 1.2 0.5 ! A.849 at 2.29e+06 assign (resid 48 and name HN) (resid 84 and name HE1) 4.0 2.2 1.0 ! A.850 at 1.49e+06 assign (resid 48 and name HN) (resid 84 and name HG1) 4.0 2.2 1.0 ! A.851 at 1.94e+06 assign (resid 48 and name HN) (resid 84 and name HG2) 4.0 2.2 1.0 ! A.852 at 1.43e+06 assign (resid 48 and name HN) (resid 84 and name HN) 3.0 1.2 0.5 ! A.853 at 2.70e+06 assign (resid 48 and name HN) (resid 84 and name HA) 4.0 2.2 1.0 ! A.1775 at -1.47e+06 assign (resid 48 and name HA1) (resid 84 and name HE1) 3.0 1.2 0.3 ! A.1804 at -8.82e+06 ! L49 assign (resid 49 and name HA) (resid 49 and name HD1#) 4.0 2.2 1.5 ! A.856 at -1.56e+06 assign (resid 49 and name HA) (resid 49 and name HD2#) 3.0 1.2 0.8 ! A.857 at -2.78e+06 assign (resid 49 and name HA) (resid 49 and name HG) 4.0 2.2 1.0 ! A.858 at -1.50e+06 assign (resid 49 and name HG) (resid 49 and name HN) 3.0 1.2 0.5 ! A.867 at -2.44e+06 assign (resid 49 and name HN) (resid 49 and name HB1) 3.0 1.2 0.5 ! A.871 at 5.02e+06 assign (resid 49 and name HN) (resid 49 and name HB2) 3.0 1.2 0.5 ! A.872 at 2.30e+06 assign (resid 49 and name HN) (resid 49 and name HD1#) 3.0 1.2 1.0 ! A.873 at 5.38e+06 assign (resid 49 and name HN) (resid 49 and name HD2#) 4.0 2.2 1.5 ! A.874 at 1.91e+06 assign (resid 49 and name HA) (resid 50 and name HN) 3.0 1.2 0.5 ! A.859 at -2.63e+06 assign (resid 49 and name HN) (resid 50 and name HA) 4.0 2.2 1.0 ! A.876 at 1.38e+06 assign (resid 49 and name HB1) (resid 50 and name HN) 3.0 1.2 0.5 ! A.881 at 2.61e+06 assign (resid 49 and name HB2) (resid 50 and name HN) 3.0 1.2 0.5 ! A.882 at 3.07e+06 assign (resid 49 and name HD1#) (resid 50 and name HN) 3.0 1.2 1.0 ! A.883 at 2.75e+06 assign (resid 49 and name HD2#) (resid 50 and name HN) 3.0 1.2 1.0 ! A.884 at 3.20e+06 assign (resid 49 and name HG) (resid 50 and name HN) 3.0 1.2 1.2 ! A.885 at 2.42e+06 assign (resid 49 and name HA) (resid 51 and name HN) 4.0 2.2 2.0 ! A.924 at 9.39e+05 assign (resid 49 and name HN) (resid 62 and name HD1#) 4.0 2.2 1.5 ! A.877 at 1.75e+06 assign (resid 49 and name HN) (resid 62 and name HN) 3.0 1.2 1.1 ! A.878 at 2.52e+06 assign (resid 49 and name HD1#) (resid 68 and name HD2#) 2.5 0.7 1.2 ! A.1398 at -2.05e+07 assign (resid 49 and name HB1) (resid 79 and name HB1) 3.0 1.2 0.3 ! A.1641 at -2.23e+06 assign (resid 49 and name HD1#) (resid 79 and name HE#) 2.5 0.7 1.2 ! A.1649 at -7.35e+07 assign (resid 49 and name HA) (resid 80 and name HN) 4.0 2.2 1.0 ! A.1677 at 1.39e+06 assign (resid 49 and name HB1) (resid 80 and name HN) 4.0 2.2 1.0 ! A.1678 at 1.62e+06 assign (resid 49 and name HD2#) (resid 81 and name HN) 3.0 1.2 1.0 ! A.1705 at 2.18e+06 assign (resid 49 and name HD2#) (resid 82 and name HN) 3.0 1.2 1.0 ! A.1738 at 2.74e+06 assign (resid 49 and name HN) (resid 84 and name HE1) 4.0 2.2 1.0 ! A.879 at 1.22e+06 ! F50 assign (resid 50 and name HN) (resid 50 and name HB1) 3.0 1.2 0.5 ! A.887 at 3.35e+06 assign (resid 50 and name HN) (resid 51 and name HN) 4.0 2.2 1.0 ! A.888 at 1.64e+06 assign (resid 50 and name HA) (resid 51 and name HN) 3.0 1.2 0.5 ! A.925 at 6.29e+06 assign (resid 50 and name HB1) (resid 51 and name HN) 4.0 2.2 1.0 ! A.926 at 1.65e+06 assign (resid 50 and name HB1) (resid 52 and name HN) 3.0 1.2 0.5 ! A.945 at 2.35e+06 assign (resid 50 and name HA) (resid 60 and name HB) 4.0 2.2 1.0 ! A.1158 at -1.18e+06 assign (resid 50 and name HA) (resid 60 and name HN) 3.0 1.2 1.1 ! A.1185 at 2.41e+06 assign (resid 50 and name HA) (resid 61 and name HN) 4.0 2.2 2.0 ! A.1201 at 9.30e+05 assign (resid 50 and name HN) (resid 62 and name HD1#) 4.0 2.2 1.5 ! A.889 at 1.09e+06 assign (resid 50 and name HA) (resid 62 and name HN) 3.0 1.2 0.5 ! A.1237 at 2.90e+06 assign (resid 50 and name HN) (resid 79 and name HA) 4.0 2.2 1.0 ! A.890 at 1.51e+06 assign (resid 50 and name HN) (resid 80 and name HA) 4.0 2.2 2.0 ! A.891 at 9.35e+05 assign (resid 50 and name HN) (resid 80 and name HB1) 3.0 1.2 0.5 ! A.892 at 2.95e+06 assign (resid 50 and name HB1) (resid 80 and name HN) 3.0 1.2 0.5 ! A.1679 at 2.82e+06 assign (resid 50 and name HN) (resid 81 and name HA) 4.0 2.2 2.0 ! A.1694 at -8.18e+05 assign (resid 50 and name HN) (resid 82 and name HN) 4.0 2.2 1.0 ! A.893 at 1.83e+06 assign (resid 50 and name HN) (resid 82 and name HB1) 4.0 2.2 2.0 ! A.1712 at -9.88e+05 assign (resid 50 and name HN) (resid 82 and name HB2) 4.0 2.2 1.0 ! A.1713 at -1.07e+06 assign (resid 50 and name HB1) (resid 82 and name HN) 4.0 2.2 1.0 ! A.1739 at 1.07e+06 ! L51 assign (resid 51 and name HB1) (resid 51 and name HD1#) 2.5 0.7 0.7 ! A.899 at -1.33e+07 assign (resid 51 and name HB1) (resid 51 and name HN) 3.0 1.2 0.5 ! A.903 at -3.12e+06 assign (resid 51 and name HB2) (resid 51 and name HD1#) 3.0 1.2 0.8 ! A.900 at -1.18e+07 assign (resid 51 and name HB2) (resid 51 and name HN) 3.0 1.2 0.5 ! A.904 at -3.20e+06 assign (resid 51 and name HD1#) (resid 51 and name HA) 2.5 0.7 1.3 ! A.913 at -2.27e+07 assign (resid 51 and name HG) (resid 51 and name HA) 3.0 1.2 0.3 ! A.916 at -6.90e+06 assign (resid 51 and name HG) (resid 51 and name HN) 3.0 1.2 0.5 ! A.919 at -3.86e+06 assign (resid 51 and name HN) (resid 51 and name HD2#) 3.0 1.2 1.0 ! A.931 at 2.21e+06 assign (resid 51 and name HB1) (resid 52 and name HN) 3.0 1.2 1.2 ! A.947 at 5.29e+06 assign (resid 51 and name HB2) (resid 52 and name HN) 3.0 1.2 1.4 ! A.948 at 4.11e+06 assign (resid 51 and name HD1#) (resid 52 and name HN) 4.0 2.2 1.3 ! A.915 at -2.33e+07 assign (resid 51 and name HG) (resid 52 and name HN) 3.0 1.2 1.2 ! A.920 at -3.14e+06 assign (resid 51 and name HN) (resid 52 and name HN) 3.0 1.2 0.5 ! A.951 at 2.83e+06 assign (resid 51 and name HA) (resid 52 and name HB1) 3.0 1.2 0.9 ! A.942 at -7.31e+06 assign (resid 51 and name HA) (resid 52 and name HN) 2.5 0.7 0.4 ! A.946 at 2.41e+07 assign (resid 51 and name HD2#) (resid 52 and name HN) 2.5 0.7 0.9 ! A.949 at 1.75e+07 assign (resid 51 and name HN) (resid 59 and name HA1) 4.0 2.2 1.0 ! A.934 at 1.81e+06 assign (resid 51 and name HB1) (resid 60 and name HN) 4.0 2.2 1.0 ! A.907 at -1.55e+06 assign (resid 51 and name HB2) (resid 60 and name HN) 4.0 2.2 1.0 ! A.908 at -1.55e+06 assign (resid 51 and name HG) (resid 60 and name HN) 4.0 2.2 1.5 ! A.921 at -5.36e+06 assign (resid 51 and name HN) (resid 60 and name HN) 3.0 1.2 0.5 ! A.935 at 3.77e+06 assign (resid 51 and name HN) (resid 60 and name HB) 3.0 1.2 1.2 ! A.1159 at -2.67e+06 assign (resid 51 and name HN) (resid 60 and name HG11) 3.0 1.2 0.5 ! A.1170 at -2.90e+06 assign (resid 51 and name HN) (resid 61 and name HA) 3.0 1.2 0.5 ! A.936 at 2.60e+06 assign (resid 51 and name HB1) (resid 62 and name HD1#) 3.0 1.2 0.8 ! A.909 at -2.03e+06 assign (resid 51 and name HB1) (resid 62 and name HD2#) 4.0 2.2 1.5 ! A.911 at -1.59e+06 assign (resid 51 and name HB2) (resid 62 and name HD1#) 3.0 1.2 0.8 ! A.910 at -2.21e+06 assign (resid 51 and name HB2) (resid 62 and name HD2#) 3.0 1.2 0.8 ! A.912 at -2.32e+06 assign (resid 51 and name HG) (resid 62 and name HD1#) 3.0 1.2 0.8 ! A.922 at -3.47e+06 assign (resid 51 and name HG) (resid 62 and name HD2#) 3.0 1.2 0.8 ! A.923 at -4.83e+06 assign (resid 51 and name HN) (resid 62 and name HD1#) 3.0 1.2 1.0 ! A.937 at 3.69e+06 assign (resid 51 and name HN) (resid 62 and name HD2#) 4.0 2.2 1.5 ! A.938 at 1.86e+06 assign (resid 51 and name HN) (resid 62 and name HN) 4.0 2.2 1.0 ! A.939 at 1.54e+06 assign (resid 51 and name HD1#) (resid 62 and name HD2#) 2.5 0.7 1.2 ! A.1226 at -3.35e+07 assign (resid 51 and name HD2#) (resid 78 and name HN) 3.0 1.2 1.0 ! A.1629 at 2.85e+06 assign (resid 51 and name HD2#) (resid 79 and name HA) 3.0 1.2 0.8 ! A.1637 at -6.50e+06 assign (resid 51 and name HD2#) (resid 79 and name HB1) 3.0 1.2 0.8 ! A.1642 at -3.86e+06 assign (resid 51 and name HA) (resid 80 and name HN) 4.0 2.2 1.0 ! A.1680 at 1.55e+06 assign (resid 51 and name HD2#) (resid 80 and name HN) 3.0 1.2 1.0 ! A.1681 at 2.88e+06 assign (resid 51 and name HG) (resid 80 and name HN) 4.0 2.2 1.0 ! A.1682 at 1.28e+06 ! S52 assign (resid 52 and name HB1) (resid 52 and name HN) 2.5 0.7 0.4 ! A.944 at -2.66e+07 assign (resid 52 and name HA) (resid 53 and name HB1) 4.0 2.2 1.0 ! A.961 at -1.42e+06 assign (resid 52 and name HA) (resid 53 and name HN) 2.5 0.7 0.4 ! A.982 at 2.73e+07 assign (resid 52 and name HB1) (resid 53 and name HN) 3.0 1.2 1.4 ! A.983 at 2.63e+07 assign (resid 52 and name HA) (resid 59 and name HA1) 3.0 1.2 0.3 ! A.1129 at -3.35e+06 assign (resid 52 and name HA) (resid 59 and name HN) 3.0 1.2 1.1 ! A.1137 at 5.77e+06 assign (resid 52 and name HN) (resid 60 and name HN) 4.0 2.2 1.0 ! A.954 at 1.70e+06 assign (resid 52 and name HA) (resid 60 and name HN) 3.0 1.2 0.5 ! A.1187 at 3.93e+06 assign (resid 52 and name HN) (resid 79 and name HA) 3.0 1.2 0.5 ! A.955 at 3.52e+06 assign (resid 52 and name HN) (resid 80 and name HN) 3.0 1.2 0.5 ! A.956 at 2.57e+06 ! D53 assign (resid 53 and name HB1) (resid 53 and name HN) 3.0 1.2 0.5 ! A.966 at -4.67e+06 assign (resid 53 and name HB2) (resid 53 and name HN) 3.0 1.2 0.5 ! A.967 at -4.73e+06 assign (resid 53 and name HA) (resid 54 and name HN) 2.5 0.7 0.4 ! A.960 at -2.66e+07 assign (resid 53 and name HB1) (resid 54 and name HN) 3.0 1.2 0.5 ! A.968 at -3.08e+06 assign (resid 53 and name HB2) (resid 54 and name HN) 2.5 0.7 0.4 ! A.1001 at 1.32e+07 assign (resid 53 and name HB1) (resid 55 and name HN) 3.0 1.2 0.5 ! A.970 at -3.94e+06 assign (resid 53 and name HB2) (resid 55 and name HN) 3.0 1.2 0.5 ! A.971 at -3.69e+06 assign (resid 53 and name HN) (resid 55 and name HN) 3.0 1.2 0.5 ! A.987 at 2.77e+06 assign (resid 53 and name HA) (resid 55 and name HN) 3.0 1.2 1.2 ! A.1013 at 5.82e+06 assign (resid 53 and name HN) (resid 56 and name HA) 3.0 1.2 0.5 ! A.988 at 7.63e+06 assign (resid 53 and name HB1) (resid 57 and name HN) 3.0 1.2 1.8 ! A.1072 at 2.19e+06 assign (resid 53 and name HB1) (resid 58 and name HB1) 3.0 1.2 0.3 ! A.972 at -2.16e+06 assign (resid 53 and name HB1) (resid 58 and name HB2) 3.0 1.2 0.3 ! A.974 at -3.19e+06 assign (resid 53 and name HB1) (resid 58 and name HG1) 4.0 2.2 1.0 ! A.976 at -1.28e+06 assign (resid 53 and name HB2) (resid 58 and name HB1) 3.0 1.2 0.3 ! A.973 at -2.21e+06 assign (resid 53 and name HB2) (resid 58 and name HB2) 3.0 1.2 0.3 ! A.975 at -3.53e+06 assign (resid 53 and name HB2) (resid 58 and name HG1) 4.0 2.2 1.0 ! A.977 at -1.60e+06 assign (resid 53 and name HN) (resid 58 and name HB1) 3.0 1.2 1.8 ! A.989 at 2.05e+06 assign (resid 53 and name HN) (resid 58 and name HB2) 3.0 1.2 1.1 ! A.990 at 3.23e+06 assign (resid 53 and name HB1) (resid 58 and name HN) 3.0 1.2 0.5 ! A.1112 at 5.11e+06 assign (resid 53 and name HB2) (resid 58 and name HN) 3.0 1.2 1.2 ! A.1113 at 5.17e+06 assign (resid 53 and name HB1) (resid 59 and name HA1) 3.0 1.2 0.9 ! A.978 at -2.53e+06 assign (resid 53 and name HB1) (resid 59 and name HN) 3.0 1.2 0.5 ! A.1138 at 7.58e+06 assign (resid 53 and name HB2) (resid 59 and name HA1) 3.0 1.2 0.3 ! A.979 at -3.15e+06 assign (resid 53 and name HB2) (resid 59 and name HN) 3.0 1.2 0.5 ! A.981 at -2.08e+06 assign (resid 53 and name HN) (resid 59 and name HA1) 4.0 2.2 1.0 ! A.1132 at -1.43e+06 assign (resid 53 and name HN) (resid 60 and name HN) 3.0 1.2 0.5 ! A.991 at 3.19e+06 assign (resid 53 and name HB1) (resid 60 and name HN) 4.0 2.2 1.6 ! A.1188 at 1.58e+06 assign (resid 53 and name HB2) (resid 60 and name HN) 3.0 1.2 1.3 ! A.1189 at 2.45e+06 ! D54 assign (resid 54 and name HB1) (resid 54 and name HN) 2.5 0.7 0.4 ! A.997 at -2.05e+07 assign (resid 54 and name HB2) (resid 54 and name HN) 2.5 0.7 0.4 ! A.998 at -1.64e+07 assign (resid 54 and name HA) (resid 55 and name HN) 3.0 1.2 0.5 ! A.994 at -1.21e+07 assign (resid 54 and name HB1) (resid 55 and name HN) 3.0 1.2 0.5 ! A.999 at -7.71e+06 assign (resid 54 and name HN) (resid 55 and name HB2) 3.0 1.2 0.5 ! A.1004 at 5.04e+06 assign (resid 54 and name HN) (resid 55 and name HN) 2.5 0.7 0.4 ! A.1005 at 3.41e+07 assign (resid 54 and name HN) (resid 56 and name HD1) 3.0 1.2 1.5 ! A.1006 at 3.92e+06 assign (resid 54 and name HN) (resid 58 and name HB1) 3.0 1.2 0.5 ! A.1007 at 5.58e+06 assign (resid 54 and name HN) (resid 58 and name HB2) 3.0 1.2 0.5 ! A.1008 at 4.39e+06 ! D55 assign (resid 55 and name HB1) (resid 55 and name HN) 3.0 1.2 0.5 ! A.1012 at -1.13e+07 assign (resid 55 and name HN) (resid 55 and name HB2) 2.5 0.7 0.4 ! A.1020 at 2.41e+07 assign (resid 55 and name HA) (resid 56 and name HD1) 2.5 0.7 0.2 ! A.1011 at -3.57e+07 assign (resid 55 and name HN) (resid 56 and name HA) 3.0 1.2 1.0 ! A.1021 at 3.70e+06 assign (resid 55 and name HN) (resid 56 and name HD1) 3.0 1.2 0.5 ! A.1022 at 6.36e+06 assign (resid 55 and name HA) (resid 56 and name HA) 3.0 1.2 1.6 ! A.1028 at -3.40e+06 assign (resid 55 and name HA) (resid 56 and name HD2) 2.5 0.7 0.2 ! A.1039 at -1.59e+07 assign (resid 55 and name HA) (resid 57 and name HN) 3.0 1.2 0.5 ! A.1073 at 7.96e+06 assign (resid 55 and name HN) (resid 57 and name HN) 3.0 1.2 1.1 ! A.1074 at 3.68e+06 assign (resid 55 and name HN) (resid 58 and name HB1) 3.0 1.2 0.5 ! A.1023 at 3.93e+06 assign (resid 55 and name HN) (resid 58 and name HB2) 3.0 1.2 0.5 ! A.1024 at 5.24e+06 assign (resid 55 and name HN) (resid 58 and name HG1) 3.0 1.2 0.5 ! A.1025 at 4.80e+06 assign (resid 55 and name HN) (resid 58 and name HN) 3.0 1.2 0.5 ! A.1026 at 2.88e+06 assign (resid 55 and name HB2) (resid 58 and name HB2) 3.0 1.2 0.3 ! A.1094 at -2.05e+06 assign (resid 55 and name HA) (resid 58 and name HN) 3.0 1.2 1.4 ! A.1114 at 4.14e+06 assign (resid 55 and name HB1) (resid 58 and name HN) 3.0 1.2 0.5 ! A.1115 at 5.49e+06 assign (resid 55 and name HN) (resid 59 and name HN) 3.0 1.2 0.5 ! A.1027 at 2.87e+06 ! P56 assign (resid 56 and name HA) (resid 56 and name HD1) 3.0 1.2 0.3 ! A.1030 at -9.43e+06 assign (resid 56 and name HA) (resid 56 and name HG1) 2.5 0.7 0.2 ! A.1031 at -1.71e+07 assign (resid 56 and name HD1) (resid 56 and name HB1) 3.0 1.2 1.1 ! A.1042 at -4.15e+06 assign (resid 56 and name HD2) (resid 56 and name HA) 3.0 1.2 0.8 ! A.1041 at -3.16e+06 assign (resid 56 and name HD2) (resid 56 and name HB1) 3.0 1.2 0.9 ! A.1043 at -4.37e+06 assign (resid 56 and name HA) (resid 57 and name HN) 3.0 1.2 0.5 ! A.1032 at -8.99e+06 assign (resid 56 and name HD1) (resid 57 and name HN) 3.0 1.2 1.3 ! A.1046 at -3.11e+06 assign (resid 56 and name HD2) (resid 57 and name HN) 2.5 0.7 1.1 ! A.1078 at 1.42e+07 assign (resid 56 and name HG1) (resid 57 and name HN) 3.0 1.2 1.5 ! A.1051 at -3.72e+06 assign (resid 56 and name HB1) (resid 57 and name HN) 3.0 1.2 1.2 ! A.1076 at 7.01e+06 assign (resid 56 and name HB2) (resid 57 and name HN) 3.0 1.2 0.5 ! A.1077 at 7.81e+06 assign (resid 56 and name HA) (resid 58 and name HN) 3.0 1.2 0.5 ! A.1033 at -5.62e+06 assign (resid 56 and name HD2) (resid 58 and name HN) 3.0 1.2 1.8 ! A.1117 at 4.44e+06 assign (resid 56 and name HA) (resid 59 and name HA2) 3.0 1.2 0.9 ! A.1034 at -4.88e+06 assign (resid 56 and name HA) (resid 59 and name HN) 2.5 0.7 0.4 ! A.1141 at 2.26e+07 ! K57 assign (resid 57 and name HA) (resid 57 and name HD1) 3.0 1.2 1.7 ! A.1053 at -7.00e+06 assign (resid 57 and name HA) (resid 57 and name HG1) 2.5 0.7 0.2 ! A.1054 at -3.40e+07 assign (resid 57 and name HB1) (resid 57 and name HN) 3.0 1.2 0.5 ! A.1060 at -9.60e+06 assign (resid 57 and name HE1) (resid 57 and name HB2) 3.0 1.2 0.3 ! A.1063 at -1.23e+07 assign (resid 57 and name HE1) (resid 57 and name HG1) 2.5 0.7 0.2 ! A.1065 at -4.12e+07 assign (resid 57 and name HG1) (resid 57 and name HN) 2.5 0.7 0.4 ! A.1070 at -1.55e+07 assign (resid 57 and name HN) (resid 57 and name HB2) 2.5 0.7 0.4 ! A.1080 at 3.93e+07 assign (resid 57 and name HN) (resid 57 and name HD1) 3.0 1.2 1.2 ! A.1081 at 4.95e+06 assign (resid 57 and name HN) (resid 57 and name HE1) 3.0 1.2 0.5 ! A.1082 at 4.21e+06 assign (resid 57 and name HA) (resid 58 and name HN) 3.0 1.2 0.5 ! A.1056 at -1.04e+07 assign (resid 57 and name HG1) (resid 58 and name HN) 3.0 1.2 0.5 ! A.1071 at -3.82e+06 assign (resid 57 and name HN) (resid 58 and name HG1) 3.0 1.2 0.5 ! A.1084 at 3.84e+06 assign (resid 57 and name HN) (resid 58 and name HN) 2.5 0.7 0.4 ! A.1085 at 4.61e+07 assign (resid 57 and name HN) (resid 59 and name HA2) 4.0 2.2 1.6 ! A.1086 at 3.65e+06 assign (resid 57 and name HN) (resid 59 and name HN) 3.0 1.2 0.5 ! A.1087 at 5.39e+06 assign (resid 57 and name HA) (resid 59 and name HN) 3.0 1.2 1.0 ! A.1142 at 6.31e+06 ! K58 assign (resid 58 and name HA) (resid 58 and name HD1) 3.0 1.2 1.0 ! A.1089 at -1.06e+07 assign (resid 58 and name HA) (resid 58 and name HG2) 2.5 0.7 0.2 ! A.1090 at -2.12e+07 assign (resid 58 and name HB2) (resid 58 and name HD1) 3.0 1.2 0.3 ! A.1096 at -1.11e+07 assign (resid 58 and name HB2) (resid 58 and name HN) 3.0 1.2 0.5 ! A.1098 at -3.02e+06 assign (resid 58 and name HE1) (resid 58 and name HG1) 2.5 0.7 0.2 ! A.1102 at -3.06e+07 assign (resid 58 and name HG1) (resid 58 and name HA) 3.0 1.2 0.3 ! A.1103 at -9.81e+06 assign (resid 58 and name HG1) (resid 58 and name HN) 3.0 1.2 0.5 ! A.1110 at -4.94e+06 assign (resid 58 and name HG2) (resid 58 and name HE1) 3.0 1.2 0.3 ! A.1109 at -5.22e+06 assign (resid 58 and name HG2) (resid 58 and name HN) 3.0 1.2 0.5 ! A.1111 at -4.58e+06 assign (resid 58 and name HN) (resid 58 and name HB1) 2.5 0.7 1.0 ! A.1122 at 1.95e+07 assign (resid 58 and name HN) (resid 58 and name HE1) 3.0 1.2 1.3 ! A.1124 at 5.44e+06 assign (resid 58 and name HA) (resid 59 and name HN) 2.5 0.7 1.0 ! A.1144 at 3.03e+07 assign (resid 58 and name HB2) (resid 59 and name HN) 2.5 0.7 0.4 ! A.1146 at 1.61e+07 assign (resid 58 and name HN) (resid 59 and name HA2) 3.0 1.2 1.4 ! A.1126 at 5.78e+06 assign (resid 58 and name HN) (resid 59 and name HN) 2.5 0.7 0.4 ! A.1127 at 1.82e+07 assign (resid 58 and name HB1) (resid 59 and name HN) 2.5 0.7 1.1 ! A.1145 at 2.02e+07 assign (resid 58 and name HG1) (resid 59 and name HN) 3.0 1.2 1.1 ! A.1147 at 8.89e+06 ! G59 assign (resid 59 and name HA1) (resid 60 and name HB) 4.0 2.2 1.9 ! A.1160 at -2.80e+06 assign (resid 59 and name HA1) (resid 60 and name HG2#) 4.0 2.2 1.5 ! A.1135 at -1.44e+06 assign (resid 59 and name HA1) (resid 60 and name HN) 2.5 0.7 0.4 ! A.1190 at 3.08e+07 assign (resid 59 and name HN) (resid 60 and name HG2#) 3.0 1.2 1.7 ! A.1150 at 5.91e+06 assign (resid 59 and name HN) (resid 60 and name HN) 3.0 1.2 1.5 ! A.1151 at 1.05e+07 assign (resid 59 and name HA1) (resid 60 and name HA) 3.0 1.2 1.2 ! A.1152 at -3.60e+06 assign (resid 59 and name HA1) (resid 60 and name HG11) 3.0 1.2 1.2 ! A.1171 at -2.92e+06 assign (resid 59 and name HA1) (resid 60 and name HG12) 3.0 1.2 0.9 ! A.1172 at -2.85e+06 ! I60 assign (resid 60 and name HA) (resid 60 and name HG2#) 3.0 1.2 0.8 ! A.1154 at -1.21e+07 assign (resid 60 and name HB) (resid 60 and name HN) 3.0 1.2 0.5 ! A.1165 at -8.07e+06 assign (resid 60 and name HD1#) (resid 60 and name HB) 2.5 0.7 0.7 ! A.1169 at -2.69e+07 assign (resid 60 and name HG11) (resid 60 and name HA) 3.0 1.2 0.3 ! A.1173 at -6.35e+06 assign (resid 60 and name HG11) (resid 60 and name HN) 3.0 1.2 0.5 ! A.1179 at -6.33e+06 assign (resid 60 and name HG12) (resid 60 and name HA) 3.0 1.2 0.3 ! A.1174 at -4.23e+06 assign (resid 60 and name HG12) (resid 60 and name HN) 3.0 1.2 0.5 ! A.1180 at -5.48e+06 assign (resid 60 and name HN) (resid 60 and name HG2#) 3.0 1.2 1.0 ! A.1196 at 1.23e+07 assign (resid 60 and name HA) (resid 61 and name HB1) 4.0 2.2 1.0 ! A.1156 at -1.88e+06 assign (resid 60 and name HA) (resid 61 and name HN) 2.5 0.7 0.4 ! A.1157 at -1.32e+07 assign (resid 60 and name HB) (resid 61 and name HA) 4.0 2.2 1.0 ! A.1166 at -1.69e+06 assign (resid 60 and name HB) (resid 61 and name HN) 3.0 1.2 0.5 ! A.1167 at -9.52e+06 assign (resid 60 and name HN) (resid 61 and name HA) 4.0 2.2 1.0 ! A.1197 at 1.73e+06 assign (resid 60 and name HN) (resid 61 and name HN) 3.0 1.2 1.2 ! A.1198 at 2.73e+06 assign (resid 60 and name HA) (resid 61 and name HE1) 3.0 1.2 0.3 ! A.1212 at 2.12e+06 assign (resid 60 and name HG11) (resid 61 and name HN) 3.0 1.2 0.5 ! A.1204 at 2.87e+06 assign (resid 60 and name HG2#) (resid 61 and name HN) 3.0 1.2 1.0 ! A.1205 at 9.99e+06 assign (resid 60 and name HB) (resid 62 and name HD2#) 3.0 1.2 0.8 ! A.1168 at -3.00e+06 assign (resid 60 and name HG11) (resid 62 and name HD2#) 3.0 1.2 0.8 ! A.1181 at -3.96e+06 assign (resid 60 and name HG12) (resid 62 and name HD2#) 3.0 1.2 1.3 ! A.1182 at -2.63e+06 assign (resid 60 and name HN) (resid 62 and name HD2#) 4.0 2.2 1.5 ! A.1199 at 1.93e+06 assign (resid 60 and name HN) (resid 62 and name HN) 4.0 2.2 1.6 ! A.1239 at 1.57e+06 ! W61 assign (resid 61 and name HE1) (resid 61 and name HB2) 3.0 1.2 1.8 ! A.1213 at 2.54e+06 assign (resid 61 and name HE1) (resid 61 and name HN) 3.0 1.2 0.5 ! A.1214 at 2.82e+06 assign (resid 61 and name HN) (resid 61 and name HB1) 3.0 1.2 0.5 ! A.1208 at 5.20e+06 assign (resid 61 and name HN) (resid 61 and name HB2) 3.0 1.2 0.5 ! A.1209 at 5.44e+06 assign (resid 61 and name HN) (resid 62 and name HD2#) 4.0 2.2 1.5 ! A.1211 at 1.20e+06 assign (resid 61 and name HA) (resid 62 and name HN) 3.0 1.2 0.5 ! A.1240 at 6.70e+06 assign (resid 61 and name HB1) (resid 62 and name HN) 3.0 1.2 1.1 ! A.1241 at 2.38e+06 ! L62 assign (resid 62 and name HA) (resid 62 and name HD1#) 4.0 2.2 1.5 ! A.1217 at -1.79e+06 assign (resid 62 and name HA) (resid 62 and name HD2#) 3.0 1.2 0.8 ! A.1218 at -4.79e+06 assign (resid 62 and name HD1#) (resid 62 and name HN) 3.0 1.2 1.0 ! A.1224 at -1.07e+07 assign (resid 62 and name HD2#) (resid 62 and name HN) 3.0 1.2 1.0 ! A.1230 at -7.19e+06 assign (resid 62 and name HG) (resid 62 and name HA) 4.0 2.2 1.0 ! A.1232 at -1.94e+06 assign (resid 62 and name HG) (resid 62 and name HN) 4.0 2.2 1.0 ! A.1235 at -1.87e+06 assign (resid 62 and name HN) (resid 62 and name HB1) 3.0 1.2 0.5 ! A.1243 at 3.90e+06 assign (resid 62 and name HN) (resid 62 and name HB2) 3.0 1.2 0.5 ! A.1244 at 3.03e+06 assign (resid 62 and name HA) (resid 63 and name HN) 3.0 1.2 0.5 ! A.1220 at -3.61e+06 assign (resid 62 and name HD1#) (resid 63 and name HN) 3.0 1.2 1.0 ! A.1225 at -7.45e+06 assign (resid 62 and name HD2#) (resid 63 and name HN) 3.0 1.2 1.0 ! A.1231 at -7.34e+06 assign (resid 62 and name HN) (resid 63 and name HN) 3.0 1.2 1.4 ! A.1248 at 2.05e+06 assign (resid 62 and name HB2) (resid 63 and name HN) 3.0 1.2 0.5 ! A.1261 at 2.50e+06 assign (resid 62 and name HD2#) (resid 71 and name HN) 3.0 1.2 1.5 ! A.1474 at 2.15e+06 ! E63 assign (resid 63 and name HA) (resid 63 and name HG2) 3.0 1.2 0.3 ! A.1250 at -7.84e+06 assign (resid 63 and name HB1) (resid 63 and name HN) 3.0 1.2 0.5 ! A.1252 at -2.89e+06 assign (resid 63 and name HB2) (resid 63 and name HN) 3.0 1.2 0.5 ! A.1253 at -2.68e+06 assign (resid 63 and name HG1) (resid 63 and name HA) 3.0 1.2 0.3 ! A.1256 at -1.19e+07 assign (resid 63 and name HG1) (resid 63 and name HN) 3.0 1.2 0.5 ! A.1258 at -8.57e+06 assign (resid 63 and name HG2) (resid 63 and name HN) 3.0 1.2 0.5 ! A.1259 at -8.12e+06 assign (resid 63 and name HB1) (resid 64 and name HA) 4.0 2.2 1.0 ! A.1277 at -1.49e+06 assign (resid 63 and name HA) (resid 64 and name HB#) 3.0 1.2 0.8 ! A.1285 at -1.02e+07 assign (resid 63 and name HA) (resid 64 and name HN) 2.5 0.7 0.4 ! A.1295 at 2.68e+07 assign (resid 63 and name HB1) (resid 64 and name HN) 3.0 1.2 0.5 ! A.1296 at 6.27e+06 assign (resid 63 and name HB2) (resid 64 and name HN) 3.0 1.2 0.5 ! A.1297 at 2.26e+06 assign (resid 63 and name HG2) (resid 64 and name HN) 3.0 1.2 1.1 ! A.1298 at 4.75e+06 assign (resid 63 and name HB1) (resid 65 and name HN) 4.0 2.2 2.0 ! A.1312 at 9.98e+05 assign (resid 63 and name HB1) (resid 66 and name HG1) 3.0 1.2 0.3 ! A.1254 at -2.99e+06 assign (resid 63 and name HB2) (resid 66 and name HG1) 3.0 1.2 0.3 ! A.1255 at -2.67e+06 assign (resid 63 and name HN) (resid 66 and name HB2) 3.0 1.2 0.5 ! A.1270 at 2.93e+06 assign (resid 63 and name HN) (resid 66 and name HG1) 3.0 1.2 0.5 ! A.1271 at 4.58e+06 assign (resid 63 and name HA) (resid 66 and name HG1) 4.0 2.2 1.0 ! A.1330 at -1.79e+06 assign (resid 63 and name HA) (resid 66 and name HN) 4.0 2.2 1.0 ! A.1341 at 1.29e+06 assign (resid 63 and name HB2) (resid 66 and name HN) 3.0 1.2 0.5 ! A.1342 at 2.40e+06 ! A64 assign (resid 64 and name HB#) (resid 64 and name HN) 2.5 0.7 0.9 ! A.1287 at -3.63e+07 assign (resid 64 and name HA) (resid 65 and name HN) 4.0 2.2 1.0 ! A.1280 at -1.58e+06 assign (resid 64 and name HB#) (resid 65 and name HA2) 3.0 1.2 0.8 ! A.1288 at -5.95e+06 assign (resid 64 and name HB#) (resid 65 and name HN) 2.5 0.7 0.9 ! A.1289 at -1.60e+07 assign (resid 64 and name HN) (resid 65 and name HA2) 4.0 2.2 1.0 ! A.1301 at 1.62e+06 assign (resid 64 and name HN) (resid 65 and name HN) 3.0 1.2 0.5 ! A.1302 at 4.84e+06 assign (resid 64 and name HN) (resid 66 and name HN) 3.0 1.2 0.5 ! A.1303 at 2.20e+06 assign (resid 64 and name HA) (resid 66 and name HN) 3.0 1.2 0.5 ! A.1343 at 4.26e+06 ! G65 assign (resid 65 and name HA2) (resid 66 and name HN) 3.0 1.2 0.5 ! A.1345 at 6.02e+06 assign (resid 65 and name HN) (resid 66 and name HN) 3.0 1.2 0.5 ! A.1346 at 1.11e+07 ! K66 assign (resid 66 and name HA) (resid 66 and name HG1) 3.0 1.2 0.3 ! A.1314 at -7.40e+06 assign (resid 66 and name HD2) (resid 66 and name HA) 3.0 1.2 0.3 ! A.1316 at -3.43e+06 assign (resid 66 and name HD2) (resid 66 and name HB1) 4.0 2.2 1.0 ! A.1317 at -1.94e+06 assign (resid 66 and name HD2) (resid 66 and name HB2) 4.0 2.2 1.0 ! A.1318 at -1.80e+06 assign (resid 66 and name HE1) (resid 66 and name HA) 3.0 1.2 0.3 ! A.1325 at -7.02e+06 assign (resid 66 and name HE1) (resid 66 and name HG1) 2.5 0.7 0.9 ! A.1328 at -2.05e+07 assign (resid 66 and name HG1) (resid 66 and name HN) 3.0 1.2 0.5 ! A.1334 at -5.82e+06 assign (resid 66 and name HN) (resid 66 and name HB1) 3.0 1.2 0.5 ! A.1348 at 1.27e+07 assign (resid 66 and name HN) (resid 66 and name HB2) 3.0 1.2 0.5 ! A.1349 at 1.02e+07 assign (resid 66 and name HN) (resid 66 and name HD2) 3.0 1.2 1.4 ! A.1350 at 3.63e+06 assign (resid 66 and name HN) (resid 66 and name HE1) 3.0 1.2 1.3 ! A.1351 at 4.55e+06 assign (resid 66 and name HA) (resid 67 and name HN) 2.5 0.7 0.4 ! A.1315 at -1.45e+07 assign (resid 66 and name HD2) (resid 67 and name HN) 3.0 1.2 0.5 ! A.1324 at -2.12e+06 assign (resid 66 and name HE1) (resid 67 and name HN) 3.0 1.2 0.5 ! A.1329 at -4.99e+06 assign (resid 66 and name HG1) (resid 67 and name HN) 3.0 1.2 1.0 ! A.1335 at -5.05e+06 assign (resid 66 and name HB1) (resid 67 and name HN) 3.0 1.2 0.5 ! A.1365 at 5.75e+06 assign (resid 66 and name HB2) (resid 67 and name HN) 3.0 1.2 0.5 ! A.1366 at 3.37e+06 assign (resid 66 and name HD1) (resid 67 and name HN) 3.0 1.2 1.2 ! A.1367 at 3.47e+06 assign (resid 66 and name HN) (resid 67 and name HN) 3.0 1.2 1.2 ! A.1371 at 2.81e+06 assign (resid 66 and name HB1) (resid 70 and name HN) 3.0 1.2 1.6 ! A.1450 at 2.09e+06 ! A67 assign (resid 67 and name HB#) (resid 67 and name HN) 2.5 0.7 0.9 ! A.1360 at -2.58e+07 assign (resid 67 and name HA) (resid 68 and name HB2) 3.0 1.2 1.3 ! A.1354 at -5.54e+06 assign (resid 67 and name HA) (resid 68 and name HG) 3.0 1.2 0.3 ! A.1355 at -3.41e+06 assign (resid 67 and name HA) (resid 68 and name HN) 3.0 1.2 0.5 ! A.1356 at -6.79e+06 assign (resid 67 and name HB#) (resid 68 and name HN) 3.0 1.2 1.0 ! A.1361 at -1.12e+07 assign (resid 67 and name HN) (resid 68 and name HN) 3.0 1.2 1.0 ! A.1374 at 3.73e+06 assign (resid 67 and name HA) (resid 69 and name HN) 4.0 2.2 1.0 ! A.1432 at 1.87e+06 assign (resid 67 and name HB#) (resid 69 and name HN) 2.5 0.7 0.9 ! A.1433 at 1.43e+07 assign (resid 67 and name HB#) (resid 70 and name HN) 3.0 1.2 1.0 ! A.1362 at -5.80e+06 assign (resid 67 and name HN) (resid 70 and name HB1) 4.0 2.2 1.0 ! A.1375 at 1.76e+06 assign (resid 67 and name HN) (resid 70 and name HB2) 4.0 2.2 1.0 ! A.1376 at 1.95e+06 ! L68 assign (resid 68 and name HA) (resid 68 and name HD2#) 3.0 1.2 0.8 ! A.1378 at -1.21e+07 assign (resid 68 and name HB1) (resid 68 and name HD1#) 4.0 2.2 1.5 ! A.1382 at -1.85e+06 assign (resid 68 and name HB2) (resid 68 and name HD1#) 3.0 1.2 0.8 ! A.1383 at -2.04e+06 assign (resid 68 and name HD1#) (resid 68 and name HA) 3.0 1.2 0.8 ! A.1390 at -6.17e+06 assign (resid 68 and name HD1#) (resid 68 and name HN) 3.0 1.2 1.0 ! A.1394 at -3.77e+06 assign (resid 68 and name HD2#) (resid 68 and name HB1) 3.0 1.2 0.8 ! A.1400 at -7.28e+06 assign (resid 68 and name HD2#) (resid 68 and name HN) 3.0 1.2 1.0 ! A.1402 at -8.29e+06 assign (resid 68 and name HN) (resid 68 and name HB1) 3.0 1.2 0.5 ! A.1412 at 4.09e+06 assign (resid 68 and name HN) (resid 68 and name HB2) 3.0 1.2 0.5 ! A.1413 at 3.27e+06 assign (resid 68 and name HN) (resid 68 and name HG) 3.0 1.2 0.5 ! A.1415 at 6.74e+06 assign (resid 68 and name HD1#) (resid 69 and name HN) 3.0 1.2 1.0 ! A.1437 at 5.30e+06 assign (resid 68 and name HN) (resid 69 and name HB1) 4.0 2.2 1.0 ! A.1416 at 1.90e+06 assign (resid 68 and name HN) (resid 69 and name HN) 3.0 1.2 0.5 ! A.1417 at 4.09e+06 assign (resid 68 and name HA) (resid 69 and name HN) 3.0 1.2 0.5 ! A.1434 at 4.82e+06 assign (resid 68 and name HB1) (resid 69 and name HN) 3.0 1.2 0.5 ! A.1435 at 4.97e+06 assign (resid 68 and name HB2) (resid 69 and name HN) 3.0 1.2 0.5 ! A.1436 at 4.18e+06 assign (resid 68 and name HG) (resid 69 and name HN) 3.0 1.2 0.5 ! A.1438 at 3.65e+06 assign (resid 68 and name HB2) (resid 70 and name HN) 4.0 2.2 1.0 ! A.1452 at 1.66e+06 assign (resid 68 and name HD2#) (resid 70 and name HN) 4.0 2.2 1.5 ! A.1453 at 1.80e+06 assign (resid 68 and name HN) (resid 70 and name HN) 4.0 2.2 1.0 ! A.1454 at 1.18e+06 assign (resid 68 and name HD2#) (resid 71 and name HN) 3.0 1.2 2.0 ! A.1475 at 2.34e+06 assign (resid 68 and name HA) (resid 73 and name HD1#) 3.0 1.2 0.8 ! A.1379 at -3.82e+06 assign (resid 68 and name HD2#) (resid 73 and name HD1#) 3.0 1.2 1.3 ! A.1510 at -1.12e+07 assign (resid 68 and name HD2#) (resid 73 and name HN) 4.0 2.2 1.5 ! A.1516 at 1.98e+06 assign (resid 68 and name HD2#) (resid 79 and name HE#) 2.5 0.7 1.2 ! A.1650 at -2.28e+07 ! D69 assign (resid 69 and name HB1) (resid 69 and name HN) 3.0 1.2 0.5 ! A.1427 at -3.90e+06 assign (resid 69 and name HB2) (resid 69 and name HN) 3.0 1.2 0.5 ! A.1428 at -3.92e+06 assign (resid 69 and name HN) (resid 70 and name HB1) 3.0 1.2 1.9 ! A.1443 at 2.39e+06 assign (resid 69 and name HN) (resid 70 and name HN) 3.0 1.2 0.5 ! A.1444 at 3.39e+06 assign (resid 69 and name HA) (resid 70 and name HN) 3.0 1.2 0.5 ! A.1455 at 4.25e+06 assign (resid 69 and name HB2) (resid 70 and name HN) 3.0 1.2 1.1 ! A.1456 at 2.17e+06 assign (resid 69 and name HN) (resid 71 and name HN) 3.0 1.2 1.4 ! A.1477 at 2.67e+06 assign (resid 69 and name HA) (resid 71 and name HN) 3.0 1.2 0.5 ! A.1476 at 3.50e+06 assign (resid 69 and name HA) (resid 72 and name HN) 3.0 1.2 0.5 ! A.1496 at 2.36e+06 assign (resid 69 and name HA) (resid 73 and name HN) 3.0 1.2 0.5 ! A.1517 at 2.57e+06 ! Y70 assign (resid 70 and name HN) (resid 70 and name HB1) 3.0 1.2 0.5 ! A.1459 at 9.34e+06 assign (resid 70 and name HN) (resid 70 and name HB2) 3.0 1.2 0.5 ! A.1460 at 8.05e+06 assign (resid 70 and name HA) (resid 71 and name HN) 3.0 1.2 0.5 ! A.1449 at -2.32e+06 assign (resid 70 and name HN) (resid 71 and name HN) 3.0 1.2 0.5 ! A.1461 at 7.39e+06 assign (resid 70 and name HB2) (resid 71 and name HN) 3.0 1.2 0.5 ! A.1478 at 2.81e+06 assign (resid 70 and name HN) (resid 72 and name HA) 4.0 2.2 2.0 ! A.1462 at 8.82e+05 assign (resid 70 and name HN) (resid 72 and name HN) 4.0 2.2 1.0 ! A.1463 at -1.95e+06 assign (resid 70 and name HN) (resid 73 and name HD1#) 3.0 1.2 1.0 ! A.1464 at 2.05e+06 assign (resid 70 and name HN) (resid 73 and name HG) 4.0 2.2 1.0 ! A.1465 at 1.94e+06 assign (resid 70 and name HN) (resid 73 and name HN) 3.0 1.2 1.2 ! A.1466 at 2.21e+06 ! Y71 assign (resid 71 and name HB2) (resid 71 and name HN) 3.0 1.2 0.5 ! A.1473 at -3.63e+06 assign (resid 71 and name HN) (resid 71 and name HB1) 3.0 1.2 0.5 ! A.1481 at 7.19e+06 assign (resid 71 and name HA) (resid 72 and name HN) 3.0 1.2 0.5 ! A.1470 at -3.34e+06 assign (resid 71 and name HN) (resid 72 and name HG2) 3.0 1.2 1.2 ! A.1483 at 2.97e+06 assign (resid 71 and name HB1) (resid 72 and name HN) 4.0 2.2 1.0 ! A.1497 at 1.93e+06 assign (resid 71 and name HB2) (resid 72 and name HN) 4.0 2.2 1.0 ! A.1498 at 1.64e+06 assign (resid 71 and name HN) (resid 72 and name HN) 3.0 1.2 0.5 ! A.1499 at 3.99e+06 assign (resid 71 and name HA) (resid 73 and name HG) 3.0 1.2 1.1 ! A.1471 at -2.13e+06 assign (resid 71 and name HN) (resid 73 and name HB2) 3.0 1.2 1.6 ! A.1484 at 2.32e+06 assign (resid 71 and name HN) (resid 73 and name HD1#) 3.0 1.2 1.0 ! A.1485 at 7.22e+06 assign (resid 71 and name HN) (resid 73 and name HG) 3.0 1.2 0.5 ! A.1486 at 3.22e+06 assign (resid 71 and name HB1) (resid 73 and name HN) 3.0 1.2 0.5 ! A.1518 at 2.92e+06 assign (resid 71 and name HB2) (resid 73 and name HN) 3.0 1.2 0.5 ! A.1519 at 2.59e+06 assign (resid 71 and name HN) (resid 73 and name HN) 3.0 1.2 0.5 ! A.1520 at 2.78e+06 ! M72 assign (resid 72 and name HA) (resid 72 and name HG2) 3.0 1.2 0.3 ! A.1488 at -6.94e+06 assign (resid 72 and name HG1) (resid 72 and name HA) 2.5 0.7 1.1 ! A.1491 at -1.65e+07 assign (resid 72 and name HG1) (resid 72 and name HN) 2.5 0.7 0.4 ! A.1494 at -1.36e+07 assign (resid 72 and name HG2) (resid 72 and name HN) 3.0 1.2 0.5 ! A.1495 at -1.08e+07 assign (resid 72 and name HN) (resid 72 and name HB2) 3.0 1.2 0.5 ! A.1501 at 5.83e+06 assign (resid 72 and name HA) (resid 73 and name HN) 3.0 1.2 0.5 ! A.1490 at -6.31e+06 assign (resid 72 and name HN) (resid 73 and name HD1#) 3.0 1.2 1.0 ! A.1503 at 2.71e+06 assign (resid 72 and name HN) (resid 73 and name HG) 4.0 2.2 1.0 ! A.1504 at 1.82e+06 assign (resid 72 and name HN) (resid 73 and name HN) 3.0 1.2 0.5 ! A.1505 at 5.55e+06 assign (resid 72 and name HB2) (resid 73 and name HN) 3.0 1.2 1.1 ! A.1522 at 4.70e+06 assign (resid 72 and name HG2) (resid 73 and name HN) 3.0 1.2 1.2 ! A.1523 at 3.56e+06 ! L73 assign (resid 73 and name HA) (resid 73 and name HG) 3.0 1.2 0.3 ! A.1507 at -1.29e+07 assign (resid 73 and name HB2) (resid 73 and name HD1#) 4.0 2.2 1.5 ! A.1509 at -1.69e+06 assign (resid 73 and name HD1#) (resid 73 and name HN) 3.0 1.2 1.0 ! A.1512 at -7.05e+06 assign (resid 73 and name HD2#) (resid 73 and name HB1) 2.5 0.7 0.7 ! A.1513 at -1.93e+07 assign (resid 73 and name HD2#) (resid 73 and name HN) 3.0 1.2 1.0 ! A.1514 at -6.44e+06 assign (resid 73 and name HN) (resid 73 and name HB2) 3.0 1.2 0.5 ! A.1526 at 6.12e+06 assign (resid 73 and name HN) (resid 73 and name HG) 3.0 1.2 0.5 ! A.1528 at 9.26e+06 assign (resid 73 and name HN) (resid 74 and name HN) 3.0 1.2 1.5 ! A.1529 at 4.39e+06 assign (resid 73 and name HA) (resid 74 and name HN) 2.5 0.7 0.4 ! A.1553 at 1.84e+07 assign (resid 73 and name HB2) (resid 74 and name HN) 3.0 1.2 0.5 ! A.1554 at 3.56e+06 assign (resid 73 and name HD2#) (resid 74 and name HN) 3.0 1.2 1.0 ! A.1555 at 1.19e+07 assign (resid 73 and name HD2#) (resid 78 and name HN) 3.0 1.2 1.0 ! A.1630 at 2.96e+06 ! R74 assign (resid 74 and name HA) (resid 74 and name HD2) 3.0 1.2 0.9 ! A.1532 at -3.43e+06 assign (resid 74 and name HA) (resid 74 and name HG1) 3.0 1.2 0.9 ! A.1533 at -1.29e+07 assign (resid 74 and name HB1) (resid 74 and name HD2) 3.0 1.2 0.3 ! A.1537 at -2.03e+06 assign (resid 74 and name HB1) (resid 74 and name HN) 3.0 1.2 0.5 ! A.1539 at -2.72e+06 assign (resid 74 and name HB2) (resid 74 and name HD2) 4.0 2.2 1.0 ! A.1538 at -1.85e+06 assign (resid 74 and name HB2) (resid 74 and name HN) 4.0 2.2 1.0 ! A.1540 at -1.64e+06 assign (resid 74 and name HG1) (resid 74 and name HN) 3.0 1.2 0.5 ! A.1548 at -5.33e+06 assign (resid 74 and name HG2) (resid 74 and name HA) 3.0 1.2 0.9 ! A.1546 at -1.05e+07 assign (resid 74 and name HG2) (resid 74 and name HN) 3.0 1.2 0.5 ! A.1549 at -6.55e+06 assign (resid 74 and name HN) (resid 74 and name HD2) 4.0 2.2 1.0 ! A.1559 at 1.75e+06 assign (resid 74 and name HB1) (resid 75 and name HN) 3.0 1.2 0.5 ! A.1541 at -2.35e+06 assign (resid 74 and name HB2) (resid 75 and name HN) 3.0 1.2 0.5 ! A.1542 at -2.16e+06 assign (resid 74 and name HG1) (resid 75 and name HN) 3.0 1.2 0.5 ! A.1550 at -4.90e+06 assign (resid 74 and name HG2) (resid 75 and name HN) 3.0 1.2 0.5 ! A.1551 at -5.83e+06 assign (resid 74 and name HN) (resid 75 and name HN) 3.0 1.2 0.5 ! A.1581 at 4.01e+06 assign (resid 74 and name HA) (resid 75 and name HN) 2.5 0.7 1.0 ! A.1577 at 2.78e+07 assign (resid 74 and name HD2) (resid 75 and name HN) 3.0 1.2 0.5 ! A.1579 at 3.17e+06 assign (resid 74 and name HN) (resid 77 and name HB2) 4.0 2.2 1.0 ! A.1562 at 1.15e+06 assign (resid 74 and name HN) (resid 77 and name HN) 4.0 2.2 1.0 ! A.1563 at 1.85e+06 ! N75 assign (resid 75 and name HB1) (resid 75 and name HN) 3.0 1.2 0.5 ! A.1569 at -4.39e+06 assign (resid 75 and name HB2) (resid 75 and name HN) 3.0 1.2 1.0 ! A.1570 at -3.51e+06 !! relaxed assign (resid 75 and name HB1) (resid 76 and name HN) 3.0 1.2 0.5 ! A.1596 at 3.18e+06 assign (resid 75 and name HB2) (resid 76 and name HN) 4.0 2.2 1.0 ! A.1572 at -1.92e+06 assign (resid 75 and name HN) (resid 76 and name HN) 3.0 1.2 0.5 ! A.1584 at 4.27e+06 assign (resid 75 and name HA) (resid 76 and name HA2) 4.0 2.2 1.0 ! A.1587 at -1.39e+06 assign (resid 75 and name HA) (resid 76 and name HN) 3.0 1.2 0.5 ! A.1595 at 9.95e+06 assign (resid 75 and name HA) (resid 77 and name HN) 3.0 1.2 0.5 ! A.1608 at 1.25e+07 ! G76 assign (resid 76 and name HN) (resid 77 and name HN) 3.0 1.2 0.5 ! A.1600 at 4.37e+06 assign (resid 76 and name HA2) (resid 77 and name HN) 3.0 1.2 0.5 ! A.1609 at 8.05e+06 ! D77 assign (resid 77 and name HB1) (resid 77 and name HN) 2.5 0.7 0.4 ! A.1604 at -1.84e+07 assign (resid 77 and name HB2) (resid 77 and name HN) 2.5 0.7 0.4 ! A.1605 at -2.08e+07 assign (resid 77 and name HA) (resid 78 and name HN) 3.0 1.2 0.5 ! A.1631 at 1.11e+07 assign (resid 77 and name HB2) (resid 78 and name HN) 3.0 1.2 0.5 ! A.1632 at 5.61e+06 ! T78 assign (resid 78 and name HA) (resid 78 and name HG2#) 4.0 2.2 1.5 ! A.1615 at -1.82e+06 assign (resid 78 and name HB) (resid 78 and name HN) 3.0 1.2 0.5 ! A.1619 at -6.90e+06 assign (resid 78 and name HG2#) (resid 78 and name HN) 3.0 1.2 1.0 ! A.1625 at -1.17e+07 assign (resid 78 and name HA) (resid 79 and name HN) 3.0 1.2 0.5 ! A.1616 at -2.45e+06 assign (resid 78 and name HB) (resid 79 and name HN) 4.0 2.2 1.0 ! A.1620 at -2.00e+06 assign (resid 78 and name HG2#) (resid 79 and name HN) 2.5 0.7 0.9 ! A.1626 at -2.00e+07 assign (resid 78 and name HN) (resid 79 and name HN) 4.0 2.2 1.0 ! A.1636 at 1.72e+06 assign (resid 78 and name HG2#) (resid 80 and name HN) 4.0 2.2 1.5 ! A.1684 at 1.51e+06 ! M79 assign (resid 79 and name HB1) (resid 79 and name HE#) 3.0 1.2 0.8 ! A.1645 at -2.59e+06 assign (resid 79 and name HB1) (resid 79 and name HN) 4.0 2.2 1.0 ! A.1646 at -1.29e+06 assign (resid 79 and name HE#) (resid 79 and name HG1) 2.5 0.7 0.7 ! A.1652 at -2.89e+07 assign (resid 79 and name HG1) (resid 79 and name HA) 3.0 1.2 0.3 ! A.1653 at -1.02e+07 assign (resid 79 and name HN) (resid 79 and name HE#) 4.0 2.2 1.5 ! A.1665 at 1.43e+06 assign (resid 79 and name HN) (resid 79 and name HG1) 3.0 1.2 0.5 ! A.1666 at 3.22e+06 assign (resid 79 and name HA) (resid 80 and name HN) 3.0 1.2 0.5 ! A.1639 at -8.93e+06 assign (resid 79 and name HB1) (resid 80 and name HN) 3.0 1.2 0.5 ! A.1686 at 3.88e+06 assign (resid 79 and name HE#) (resid 80 and name HN) 4.0 2.2 1.5 ! A.1687 at 1.83e+06 assign (resid 79 and name HG1) (resid 80 and name HN) 3.0 1.2 1.9 ! A.1688 at 3.60e+06 ! E80 assign (resid 80 and name HA) (resid 80 and name HG2) 4.0 2.2 1.0 ! A.1670 at -1.48e+06 assign (resid 80 and name HG2) (resid 80 and name HN) 3.0 1.2 1.3 ! A.1675 at -5.80e+06 assign (resid 80 and name HN) (resid 80 and name HB1) 3.0 1.2 0.5 ! A.1691 at 7.64e+06 assign (resid 80 and name HA) (resid 81 and name HN) 3.0 1.2 0.5 ! A.1706 at 6.86e+06 assign (resid 80 and name HN) (resid 81 and name HN) 4.0 2.2 1.0 ! A.1693 at 1.61e+06 assign (resid 80 and name HB1) (resid 81 and name HN) 3.0 1.2 0.5 ! A.1707 at 4.69e+06 assign (resid 80 and name HB1) (resid 82 and name HB2) 3.0 1.2 0.3 ! A.1714 at -2.74e+06 assign (resid 80 and name HB1) (resid 82 and name HD1) 3.0 1.2 0.3 ! A.1726 at -2.78e+06 assign (resid 80 and name HB1) (resid 82 and name HD2) 3.0 1.2 0.3 ! A.1727 at -2.61e+06 ! Y81 assign (resid 81 and name HN) (resid 81 and name HB1) 3.0 1.2 0.5 ! A.1710 at 2.52e+06 assign (resid 81 and name HN) (resid 81 and name HB2) 3.0 1.2 0.5 ! A.1711 at 3.43e+06 assign (resid 81 and name HA) (resid 82 and name HN) 3.0 1.2 0.5 ! A.1741 at 8.77e+06 assign (resid 81 and name HB1) (resid 82 and name HN) 4.0 2.2 1.0 ! A.1742 at 1.32e+06 ! R82 assign (resid 82 and name HB1) (resid 82 and name HD1) 3.0 1.2 0.3 ! A.1719 at -2.06e+06 assign (resid 82 and name HB1) (resid 82 and name HN) 4.0 2.2 1.0 ! A.1722 at -1.68e+06 assign (resid 82 and name HB2) (resid 82 and name HD1) 3.0 1.2 0.3 ! A.1720 at -2.28e+06 assign (resid 82 and name HB2) (resid 82 and name HD2) 4.0 2.2 1.0 ! A.1721 at -1.50e+06 assign (resid 82 and name HB2) (resid 82 and name HN) 4.0 2.2 1.0 ! A.1723 at -1.31e+06 assign (resid 82 and name HD1) (resid 82 and name HA) 3.0 1.2 0.3 ! A.1728 at -2.16e+06 assign (resid 82 and name HD1) (resid 82 and name HN) 4.0 2.2 1.0 ! A.1736 at -1.21e+06 assign (resid 82 and name HD2) (resid 82 and name HA) 3.0 1.2 0.3 ! A.1729 at -2.14e+06 assign (resid 82 and name HD2) (resid 82 and name HB1) 3.0 1.2 0.3 ! A.1731 at -3.14e+06 assign (resid 82 and name HD2) (resid 82 and name HN) 4.0 2.2 1.0 ! A.1737 at -1.12e+06 assign (resid 82 and name HB1) (resid 83 and name HN) 3.0 1.2 0.5 ! A.1768 at 2.51e+06 assign (resid 82 and name HB2) (resid 83 and name HN) 4.0 2.2 1.0 ! A.1725 at -1.94e+06 assign (resid 82 and name HN) (resid 83 and name HN) 4.0 2.2 1.0 ! A.1747 at 1.18e+06 assign (resid 82 and name HA) (resid 83 and name HB1) 4.0 2.2 2.0 ! A.1756 at -9.79e+05 assign (resid 82 and name HA) (resid 83 and name HN) 3.0 1.2 0.5 ! A.1767 at 8.24e+06 ! K83 assign (resid 83 and name HA) (resid 83 and name HD1) 4.0 2.2 1.0 ! A.1753 at -1.03e+06 assign (resid 83 and name HA) (resid 83 and name HG1) 4.0 2.2 2.0 ! A.1754 at -9.62e+05 assign (resid 83 and name HB1) (resid 83 and name HD1) 3.0 1.2 0.9 ! A.1761 at -3.58e+06 assign (resid 83 and name HB1) (resid 83 and name HN) 3.0 1.2 0.5 ! A.1764 at -5.14e+06 assign (resid 83 and name HB2) (resid 83 and name HN) 3.0 1.2 0.5 ! A.1765 at -3.52e+06 assign (resid 83 and name HE1) (resid 83 and name HA) 2.5 0.7 0.2 ! A.1766 at -1.89e+07 assign (resid 83 and name HN) (resid 83 and name HD1) 3.0 1.2 0.5 ! A.1773 at 2.11e+06 assign (resid 83 and name HN) (resid 83 and name HG1) 4.0 2.2 1.0 ! A.1774 at 1.41e+06 assign (resid 83 and name HA) (resid 84 and name HN) 3.0 1.2 0.5 ! A.1755 at -4.52e+06 assign (resid 83 and name HB1) (resid 84 and name HA) 4.0 2.2 1.0 ! A.1776 at -1.97e+06 assign (resid 83 and name HG1) (resid 84 and name HA) 4.0 2.2 2.0 ! A.1777 at -5.88e+05 assign (resid 83 and name HB1) (resid 84 and name HN) 3.0 1.2 0.5 ! A.1828 at 4.86e+06 assign (resid 83 and name HB2) (resid 84 and name HN) 3.0 1.2 1.3 ! A.1829 at 8.12e+06 assign (resid 83 and name HG1) (resid 84 and name HN) 4.0 2.2 1.0 ! A.1830 at 1.35e+06 assign (resid 83 and name HA) (resid 85 and name HN) 3.0 1.2 0.5 ! A.1855 at 3.46e+06 assign (resid 83 and name HB1) (resid 85 and name HN) 3.0 1.2 0.5 ! A.1856 at 6.76e+06 assign (resid 83 and name HG1) (resid 85 and name HN) 3.0 1.2 0.5 ! A.1857 at 2.84e+06 ! K84 assign (resid 84 and name HA) (resid 84 and name HE1) 4.0 2.2 1.0 ! A.1780 at -1.85e+06 assign (resid 84 and name HA) (resid 84 and name HG1) 3.0 1.2 0.3 ! A.1781 at -4.66e+06 assign (resid 84 and name HA) (resid 84 and name HG2) 3.0 1.2 0.3 ! A.1782 at -5.97e+06 assign (resid 84 and name HB1) (resid 84 and name HE1) 3.0 1.2 0.9 ! A.1789 at -2.18e+06 assign (resid 84 and name HB1) (resid 84 and name HN) 3.0 1.2 0.5 ! A.1795 at -4.02e+06 assign (resid 84 and name HB2) (resid 84 and name HE1) 3.0 1.2 0.9 ! A.1790 at -2.52e+06 assign (resid 84 and name HB2) (resid 84 and name HN) 3.0 1.2 0.5 ! A.1796 at -3.47e+06 assign (resid 84 and name HD1) (resid 84 and name HA) 3.0 1.2 0.3 ! A.1799 at -5.59e+06 assign (resid 84 and name HD1) (resid 84 and name HN) 3.0 1.2 1.3 ! A.1803 at -4.87e+06 assign (resid 84 and name HE1) (resid 84 and name HG1) 2.5 0.7 1.0 ! A.1807 at -1.58e+07 assign (resid 84 and name HE1) (resid 84 and name HG2) 2.5 0.7 0.2 ! A.1808 at -1.49e+07 assign (resid 84 and name HG1) (resid 84 and name HN) 4.0 2.2 1.0 ! A.1818 at -1.95e+06 assign (resid 84 and name HG2) (resid 84 and name HN) 3.0 1.2 0.5 ! A.1819 at -2.48e+06 assign (resid 84 and name HN) (resid 84 and name HE1) 4.0 2.2 1.0 ! A.1833 at 1.49e+06 assign (resid 84 and name HA) (resid 85 and name HN) 2.5 0.7 1.0 ! A.1784 at -1.33e+07 assign (resid 84 and name HB1) (resid 85 and name HN) 3.0 1.2 0.5 ! A.1797 at -2.72e+06 assign (resid 84 and name HB2) (resid 85 and name HN) 2.5 0.7 0.4 ! A.1860 at 1.44e+07 assign (resid 84 and name HN) (resid 85 and name HN) 3.0 1.2 0.5 ! A.1836 at 2.43e+06 assign (resid 84 and name HG1) (resid 85 and name HN) 3.0 1.2 1.9 ! A.1861 at 4.97e+06 assign (resid 84 and name HG2) (resid 85 and name HN) 3.0 1.2 1.7 ! A.1862 at 6.64e+06 ! Q85 assign (resid 85 and name HA) (resid 85 and name HG1) 2.5 0.7 0.2 ! A.1839 at -1.61e+07 assign (resid 85 and name HB1) (resid 85 and name HN) 2.5 0.7 0.4 ! A.1847 at -1.37e+07 assign (resid 85 and name HB2) (resid 85 and name HN) 2.5 0.7 0.4 ! A.1848 at -1.56e+07 assign (resid 85 and name HG1) (resid 85 and name HN) 3.0 1.2 1.3 ! A.1852 at -2.22e+07 assign (resid 85 and name HA) (resid 86 and name HN) 2.5 0.7 0.4 ! A.1841 at -8.99e+07 assign (resid 85 and name HB1) (resid 86 and name HN) 2.5 0.7 0.4 ! A.1869 at 1.95e+07 assign (resid 85 and name HB2) (resid 86 and name HN) 2.5 0.7 0.4 ! A.1850 at -1.65e+07 assign (resid 85 and name HG1) (resid 86 and name HN) 2.5 0.7 0.4 ! A.1853 at -1.66e+07 ! R86 !@ END_XPLR_NOE_FILE
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