NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
643280 |
6u4n   |
30659 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
# Restraints file 1: k2f0c-restrants-submit-4th.xtb ! Editing history: apply residue index offset (-7) on Thu Jul 18 15:24:35 EDT 2019 !@ BEGIN_XPLR_NOE_FILE ! M1 assign (resid 1 and name HA) (resid 1 and name HG2) 2.5 0.7 0.2 ! A.2 at -4.52e+07 assign (resid 1 and name HB1) (resid 2 and name HN) 2.5 0.7 0.4 ! A.10 at 4.66e+07 assign (resid 1 and name HB2) (resid 2 and name HN) 3.0 1.2 0.5 ! A.11 at 2.59e+07 assign (resid 1 and name HG1) (resid 2 and name HN) 3.0 1.2 0.5 ! A.12 at 7.99e+06 assign (resid 1 and name HG2) (resid 2 and name HN) 3.0 1.2 0.5 ! A.13 at 1.01e+07 assign (resid 1 and name HB1) (resid 3 and name HN) 3.0 1.2 0.5 ! A.35 at 1.32e+07 ! A2 assign (resid 2 and name HN) (resid 2 and name HB#) 2.5 0.7 0.9 ! A.15 at 2.21e+08 assign (resid 2 and name HN) (resid 3 and name HB2) 3.0 1.2 0.5 ! A.16 at 6.05e+06 assign (resid 2 and name HA) (resid 3 and name HN) 2.5 0.7 1.0 ! A.36 at 3.22e+08 assign (resid 2 and name HB#) (resid 3 and name HN) 2.5 0.7 0.9 ! A.37 at 7.74e+07 assign (resid 2 and name HB#) (resid 4 and name HN) 3.0 1.2 1.8 ! A.52 at 2.16e+07 ! L3 assign (resid 3 and name HN) (resid 3 and name HB1) 2.5 0.7 1.2 ! A.39 at 2.68e+08 assign (resid 3 and name HN) (resid 3 and name HB2) 2.5 0.7 0.4 ! A.40 at 2.94e+08 assign (resid 3 and name HN) (resid 3 and name HD1#) 2.5 0.7 0.9 ! A.41 at 5.18e+07 assign (resid 3 and name HN) (resid 3 and name HD2#) 2.5 0.7 0.9 ! A.42 at 5.18e+07 assign (resid 3 and name HA) (resid 3 and name HG) 2.5 0.7 0.2 ! A.20 at -2.59e+08 assign (resid 3 and name HA) (resid 3 and name HD1#) 2.5 0.7 1.3 ! A.18 at -1.92e+08 assign (resid 3 and name HA) (resid 3 and name HD2#) 2.5 0.7 0.7 ! A.19 at -1.92e+08 assign (resid 3 and name HB1) (resid 3 and name HD1#) 2.5 0.7 0.7 ! A.23 at -8.10e+07 assign (resid 3 and name HB1) (resid 3 and name HD2#) 2.5 0.7 0.7 ! A.25 at -8.10e+07 assign (resid 3 and name HB2) (resid 3 and name HD1#) 2.5 0.7 0.7 ! A.24 at -1.38e+08 assign (resid 3 and name HB2) (resid 3 and name HD2#) 2.5 0.7 0.7 ! A.26 at -1.49e+08 assign (resid 3 and name HG) (resid 3 and name HN) 2.5 0.7 0.4 ! A.34 at -3.78e+07 assign (resid 3 and name HN) (resid 4 and name HB1) 4.0 2.2 1.0 ! A.43 at 1.14e+07 assign (resid 3 and name HA) (resid 4 and name HN) 2.5 0.7 1.0 ! A.53 at 1.69e+08 assign (resid 3 and name HB1) (resid 4 and name HN) 2.5 0.7 0.4 ! A.54 at 7.67e+07 assign (resid 3 and name HB2) (resid 4 and name HN) 2.5 0.7 0.4 ! A.55 at 7.25e+07 assign (resid 3 and name HD1#) (resid 4 and name HN) 3.0 1.2 1.0 ! A.56 at 2.48e+07 assign (resid 3 and name HD2#) (resid 4 and name HN) 3.0 1.2 1.0 ! A.57 at 2.48e+07 assign (resid 3 and name HB1) (resid 4 and name HA) 3.0 1.2 1.1 ! A.44 at -9.09e+06 assign (resid 3 and name HB2) (resid 4 and name HA) 3.0 1.2 1.0 ! A.45 at -9.09e+06 assign (resid 3 and name HA) (resid 5 and name HN) 3.0 1.2 0.5 ! A.70 at 1.90e+07 assign (resid 3 and name HD1#) (resid 5 and name HN) 3.0 1.2 1.5 ! A.71 at 1.34e+07 ! D4 assign (resid 4 and name HN) (resid 4 and name HB1) 2.5 0.7 0.8 ! A.59 at 1.30e+08 assign (resid 4 and name HN) (resid 5 and name HA1) 4.0 2.2 1.1 ! A.60 at 9.90e+06 assign (resid 4 and name HA) (resid 5 and name HN) 2.5 0.7 0.8 ! A.72 at 1.34e+08 assign (resid 4 and name HB1) (resid 5 and name HN) 2.5 0.7 1.2 ! A.73 at 5.56e+07 assign (resid 4 and name HA) (resid 5 and name HA1) 4.0 2.2 1.0 ! A.61 at -8.48e+06 assign (resid 4 and name HB1) (resid 5 and name HA1) 4.0 2.2 1.5 ! A.62 at -3.32e+06 assign (resid 4 and name HA) (resid 6 and name HN) 3.0 1.2 1.3 ! A.49 at -9.86e+06 assign (resid 4 and name HA) (resid 6 and name HD1#) 3.0 1.2 0.8 ! A.48 at -1.04e+07 assign (resid 4 and name HB1) (resid 6 and name HN) 3.0 1.2 1.9 ! A.118 at 1.26e+07 ! G5 assign (resid 5 and name HN) (resid 6 and name HB) 4.0 2.2 1.5 ! A.75 at 1.12e+07 assign (resid 5 and name HN) (resid 6 and name HN) 2.5 0.7 0.4 ! A.79 at 6.81e+07 assign (resid 5 and name HN) (resid 6 and name HD1#) 3.0 1.2 1.0 ! A.76 at 1.34e+07 assign (resid 5 and name HN) (resid 6 and name HG11) 4.0 2.2 1.0 ! A.77 at 2.56e+07 assign (resid 5 and name HN) (resid 6 and name HG12) 3.0 1.2 0.5 ! A.78 at 4.87e+06 assign (resid 5 and name HA1) (resid 6 and name HB) 4.0 2.2 2.0 ! A.64 at -6.20e+06 assign (resid 5 and name HA1) (resid 6 and name HN) 2.5 0.7 0.4 ! A.69 at -5.00e+07 assign (resid 5 and name HA1) (resid 6 and name HD1#) 3.0 1.2 0.8 ! A.65 at -1.03e+07 assign (resid 5 and name HA1) (resid 6 and name HG11) 4.0 2.2 1.5 ! A.66 at -1.10e+07 assign (resid 5 and name HA1) (resid 6 and name HG12) 3.0 1.2 1.4 ! A.67 at -4.36e+06 assign (resid 5 and name HA1) (resid 6 and name HG2#) 3.0 1.2 1.3 ! A.68 at -1.03e+07 ! I6 assign (resid 6 and name HN) (resid 6 and name HB) 2.5 0.7 1.0 ! A.122 at 1.83e+08 assign (resid 6 and name HN) (resid 6 and name HD1#) 2.5 0.7 0.9 ! A.123 at 8.60e+07 assign (resid 6 and name HN) (resid 6 and name HG11) 2.5 0.7 0.9 ! A.124 at 1.09e+08 assign (resid 6 and name HN) (resid 6 and name HG12) 2.5 0.7 0.4 ! A.125 at 8.80e+07 assign (resid 6 and name HN) (resid 6 and name HG2#) 2.5 0.7 0.9 ! A.126 at 8.60e+07 assign (resid 6 and name HA) (resid 6 and name HD1#) 2.5 0.7 0.7 ! A.81 at -7.05e+07 assign (resid 6 and name HA) (resid 6 and name HG11) 3.0 1.2 1.2 ! A.82 at -2.57e+07 assign (resid 6 and name HA) (resid 6 and name HG12) 3.0 1.2 0.7 ! A.83 at -2.46e+07 assign (resid 6 and name HA) (resid 6 and name HG2#) 2.5 0.7 0.7 ! A.84 at -7.05e+07 assign (resid 6 and name HB) (resid 6 and name HD1#) 2.5 0.7 0.7 ! A.89 at -9.32e+07 assign (resid 6 and name HN) (resid 7 and name HN) 2.5 0.7 0.9 ! A.128 at 4.02e+07 assign (resid 6 and name HN) (resid 7 and name HD1) 4.0 2.2 1.2 ! A.127 at 8.35e+06 assign (resid 6 and name HA) (resid 7 and name HN) 2.5 0.7 1.0 ! A.87 at -9.97e+07 assign (resid 6 and name HA) (resid 7 and name HB1) 3.0 1.2 1.7 ! A.86 at -9.39e+06 assign (resid 6 and name HB) (resid 7 and name HN) 3.0 1.2 0.5 ! A.94 at -1.39e+07 assign (resid 6 and name HG11) (resid 7 and name HN) 3.0 1.2 0.5 ! A.110 at -8.33e+06 assign (resid 6 and name HG12) (resid 7 and name HN) 3.0 1.2 0.5 ! A.111 at -3.79e+06 assign (resid 6 and name HG2#) (resid 7 and name HN) 2.5 0.7 0.9 ! A.116 at -3.57e+07 assign (resid 6 and name HG2#) (resid 8 and name HN) 4.0 2.2 1.6 ! A.174 at 5.37e+06 assign (resid 6 and name HG11) (resid 11 and name HN) 3.0 1.2 1.3 ! A.242 at 7.13e+06 assign (resid 6 and name HG12) (resid 11 and name HN) 4.0 2.2 1.0 ! A.243 at 2.20e+06 assign (resid 6 and name HG11) (resid 11 and name HA1) 4.0 2.2 1.0 ! A.228 at -2.87e+06 assign (resid 6 and name HG11) (resid 11 and name HA2) 4.0 2.2 1.0 ! A.229 at -3.18e+06 assign (resid 6 and name HG11) (resid 12 and name HN) 4.0 2.2 1.0 ! A.261 at 6.60e+06 ! R7 assign (resid 7 and name HN) (resid 7 and name HB1) 2.5 0.7 0.9 ! A.154 at 5.36e+07 assign (resid 7 and name HN) (resid 7 and name HB2) 2.5 0.7 1.4 ! A.155 at 5.36e+07 assign (resid 7 and name HN) (resid 7 and name HD1) 3.0 1.2 0.5 ! A.156 at 5.49e+06 assign (resid 7 and name HN) (resid 7 and name HG1) 3.0 1.2 1.1 ! A.157 at 1.95e+07 assign (resid 7 and name HA) (resid 7 and name HD1) 3.0 1.2 0.8 ! A.129 at -1.55e+07 assign (resid 7 and name HB1) (resid 7 and name HD1) 3.0 1.2 0.3 ! A.132 at -2.33e+07 assign (resid 7 and name HB2) (resid 7 and name HD1) 3.0 1.2 0.7 ! A.133 at -1.68e+07 assign (resid 7 and name HG1) (resid 7 and name HA) 3.0 1.2 1.3 ! A.145 at -3.01e+07 assign (resid 7 and name HN) (resid 8 and name HB1) 4.0 2.2 2.2 ! A.158 at 3.71e+06 assign (resid 7 and name HN) (resid 8 and name HG2) 4.0 2.2 1.0 ! A.159 at 2.25e+06 assign (resid 7 and name HB1) (resid 8 and name HG2) 3.0 1.2 1.4 ! A.138 at -3.57e+06 assign (resid 7 and name HB2) (resid 8 and name HG2) 3.0 1.2 0.3 ! A.139 at -5.30e+06 assign (resid 7 and name HB1) (resid 8 and name HN) 2.5 0.7 0.9 ! A.175 at 3.80e+07 assign (resid 7 and name HB2) (resid 8 and name HN) 2.5 0.7 0.4 ! A.176 at 3.80e+07 assign (resid 7 and name HD1) (resid 8 and name HN) 3.0 1.2 1.0 ! A.177 at 1.02e+07 assign (resid 7 and name HG1) (resid 8 and name HN) 2.5 0.7 0.4 ! A.178 at 3.38e+07 assign (resid 7 and name HG1) (resid 8 and name HG1) 3.0 1.2 0.3 ! A.164 at -8.00e+06 assign (resid 7 and name HB1) (resid 11 and name HN) 4.0 2.2 1.3 ! A.244 at 6.48e+06 assign (resid 7 and name HD1) (resid 11 and name HA1) 3.0 1.2 2.0 ! A.231 at -4.19e+06 assign (resid 7 and name HB1) (resid 11 and name HA2) 4.0 2.2 2.7 ! A.230 at -2.69e+06 ! M8 assign (resid 8 and name HN) (resid 8 and name HB1) 2.5 0.7 1.4 ! A.180 at 9.50e+07 assign (resid 8 and name HN) (resid 8 and name HG1) 3.0 1.2 0.5 ! A.181 at 2.37e+07 assign (resid 8 and name HN) (resid 8 and name HG2) 2.5 0.7 0.4 ! A.182 at 4.03e+07 assign (resid 8 and name HA) (resid 8 and name HG2) 3.0 1.2 0.3 ! A.161 at -5.42e+06 assign (resid 8 and name HG1) (resid 8 and name HA) 3.0 1.2 0.7 ! A.165 at -1.33e+07 assign (resid 8 and name HN) (resid 9 and name HD1) 3.0 1.2 0.5 ! A.183 at 1.12e+07 assign (resid 8 and name HN) (resid 9 and name HD2) 3.0 1.2 0.5 ! A.184 at 8.84e+06 assign (resid 8 and name HG1) (resid 9 and name HD1) 3.0 1.2 0.3 ! A.171 at -5.89e+06 assign (resid 8 and name HG1) (resid 9 and name HD2) 3.0 1.2 0.3 ! A.173 at -4.83e+06 assign (resid 8 and name HG2) (resid 9 and name HD1) 3.0 1.2 0.6 ! A.172 at -7.70e+06 assign (resid 8 and name HN) (resid 9 and name HB2) 4.0 2.2 1.2 ! A.191 at -7.43e+06 assign (resid 8 and name HN) (resid 10 and name HN) 3.0 1.2 0.5 ! A.185 at 4.71e+06 assign (resid 8 and name HG1) (resid 11 and name HA1) 4.0 2.2 2.1 ! A.232 at -3.06e+06 !assign (resid 8 and name HN) (resid 12 and name HN) 3.0 1.2 0.8 ! A.186 at 9.27e+06 !assign (resid 8 and name HG1) (resid 12 and name HN) 4.0 2.2 1.3 ! A.262 at 1.04e+07 assign (resid 8 and name HA) (resid 12 and name HB1) 3.0 1.2 0.3 ! A.255 at -5.39e+06 ! P9 assign (resid 9 and name HA) (resid 9 and name HD1) 3.0 1.2 0.7 ! A.189 at -8.85e+06 assign (resid 9 and name HB2) (resid 9 and name HD1) 3.0 1.2 0.7 ! A.195 at -2.04e+07 assign (resid 9 and name HD2) (resid 9 and name HA) 3.0 1.2 0.9 ! A.201 at -4.88e+06 assign (resid 9 and name HG1) (resid 9 and name HA) 2.5 0.7 0.2 ! A.206 at -3.50e+07 assign (resid 9 and name HA) (resid 10 and name HN) 2.5 0.7 0.9 ! A.190 at -4.19e+07 assign (resid 9 and name HB2) (resid 10 and name HN) 3.0 1.2 0.5 ! A.196 at -8.11e+06 assign (resid 9 and name HD1) (resid 10 and name HN) 3.0 1.2 0.8 ! A.204 at -5.71e+06 assign (resid 9 and name HD2) (resid 10 and name HN) 3.0 1.2 0.5 ! A.205 at -3.46e+06 assign (resid 9 and name HB1) (resid 10 and name HN) 3.0 1.2 1.2 ! A.219 at 1.78e+07 assign (resid 9 and name HG1) (resid 10 and name HN) 3.0 1.2 1.4 ! A.223 at 4.36e+07 assign (resid 9 and name HG1) (resid 11 and name HN) 4.0 2.2 2.1 ! A.245 at 1.77e+07 !assign (resid 9 and name HG1) (resid 11 and name HA2) 4.0 2.2 2.4 ! A.233 at -2.19e+06 !assign (resid 9 and name HG1) (resid 12 and name HN) 4.0 2.2 2.1 ! A.263 at 3.61e+07 !assign (resid 9 and name HG1) (resid 12 and name HB1) 4.0 2.2 1.4 ! A.256 at -7.74e+06 assign (resid 9 and name HG1) (resid 13 and name HN) 4.0 2.2 1.7 ! A.275 at 2.71e+06 ! D10 assign (resid 10 and name HN) (resid 10 and name HB1) 2.5 0.7 0.4 ! A.225 at 2.91e+07 assign (resid 10 and name HN) (resid 10 and name HB2) 2.5 0.7 0.4 ! A.226 at 4.25e+07 assign (resid 10 and name HN) (resid 11 and name HN) 2.5 0.7 0.4 ! A.227 at 2.82e+07 assign (resid 10 and name HA) (resid 11 and name HN) 2.5 0.7 0.9 ! A.214 at -4.26e+07 assign (resid 10 and name HA) (resid 11 and name HA2) 3.0 1.2 1.7 ! A.213 at -1.01e+07 assign (resid 10 and name HB1) (resid 11 and name HA1) 3.0 1.2 1.5 ! A.217 at -5.01e+06 assign (resid 10 and name HB1) (resid 11 and name HN) 3.0 1.2 0.5 ! A.247 at 2.14e+07 assign (resid 10 and name HB2) (resid 11 and name HN) 3.0 1.2 0.8 ! A.248 at 1.92e+07 assign (resid 10 and name HA) (resid 11 and name HA1) 4.0 2.2 1.2 ! A.234 at -4.66e+06 assign (resid 10 and name HA) (resid 12 and name HN) 3.0 1.2 1.1 ! A.264 at 1.81e+07 ! G11 assign (resid 11 and name HN) (resid 12 and name HN) 2.5 0.7 0.4 ! A.252 at 3.27e+07 assign (resid 11 and name HN) (resid 12 and name HB1) 3.0 1.2 1.5 ! A.251 at 4.69e+06 assign (resid 11 and name HA1) (resid 12 and name HN) 2.5 0.7 0.8 ! A.265 at 3.07e+07 assign (resid 11 and name HA2) (resid 12 and name HN) 2.5 0.7 1.0 ! A.266 at 4.08e+07 ! C12 assign (resid 12 and name HN) (resid 12 and name HB1) 2.5 0.7 0.4 ! A.269 at 9.99e+07 assign (resid 12 and name HN) (resid 13 and name HN) 3.0 1.2 0.5 ! A.270 at 2.02e+07 assign (resid 12 and name HA) (resid 13 and name HN) 3.0 1.2 0.5 ! A.254 at -2.78e+07 assign (resid 12 and name HB1) (resid 13 and name HN) 3.0 1.2 0.5 ! A.260 at -1.23e+07 ! Y13 assign (resid 13 and name HN) (resid 13 and name HB1) 3.0 1.2 0.9 ! A.278 at 1.05e+07 assign (resid 13 and name HN) (resid 13 and name HB2) 2.5 0.7 0.9 ! A.279 at 4.19e+07 assign (resid 13 and name HN) (resid 14 and name HB#) 3.0 1.2 1.6 ! A.280 at 4.48e+06 assign (resid 13 and name HA) (resid 14 and name HN) 3.0 1.2 0.5 ! A.290 at 1.09e+07 assign (resid 13 and name HB1) (resid 14 and name HN) 3.0 1.2 0.5 ! A.291 at 9.07e+06 assign (resid 13 and name HB2) (resid 14 and name HN) 3.0 1.2 0.5 ! A.292 at 7.73e+06 assign (resid 13 and name HB1) (resid 17 and name HN) 3.0 1.2 0.5 ! A.341 at 3.58e+06 ! A14 assign (resid 14 and name HN) (resid 14 and name HB#) 3.0 1.2 1.0 ! A.294 at 2.74e+07 assign (resid 14 and name HN) (resid 15 and name HN) 3.0 1.2 0.5 ! A.296 at 4.49e+06 assign (resid 14 and name HN) (resid 15 and name HB2) 4.0 2.2 1.0 ! A.295 at 1.79e+06 assign (resid 14 and name HA) (resid 15 and name HN) 2.5 0.7 1.0 ! A.307 at 3.26e+07 assign (resid 14 and name HB#) (resid 15 and name HN) 2.5 0.7 0.9 ! A.288 at -3.06e+07 assign (resid 14 and name HB#) (resid 15 and name HB1) 3.0 1.2 1.3 ! A.286 at -2.02e+07 assign (resid 14 and name HB#) (resid 15 and name HB2) 3.0 1.2 0.8 ! A.287 at -1.33e+07 assign (resid 14 and name HA) (resid 15 and name HA) 3.0 1.2 1.4 ! A.297 at -8.31e+06 assign (resid 14 and name HB#) (resid 16 and name HN) 3.0 1.2 1.0 ! A.289 at -5.20e+06 assign (resid 14 and name HN) (resid 16 and name HN) 3.0 1.2 0.5 ! A.323 at 5.70e+06 assign (resid 14 and name HB#) (resid 17 and name HN) 4.0 2.2 1.5 ! A.342 at 2.58e+06 ! D15 assign (resid 15 and name HN) (resid 15 and name HB1) 3.0 1.2 0.5 ! A.311 at 2.77e+07 assign (resid 15 and name HN) (resid 15 and name HB2) 3.0 1.2 0.5 ! A.312 at 2.21e+07 assign (resid 15 and name HN) (resid 16 and name HN) 2.5 0.7 0.4 ! A.327 at 3.49e+07 assign (resid 15 and name HN) (resid 16 and name HA2) 3.0 1.2 1.3 ! A.313 at 4.86e+06 assign (resid 15 and name HA) (resid 16 and name HN) 3.0 1.2 0.5 ! A.302 at -9.69e+06 assign (resid 15 and name HA) (resid 16 and name HA1) 3.0 1.2 1.9 ! A.301 at -8.31e+06 assign (resid 15 and name HB1) (resid 16 and name HN) 3.0 1.2 0.5 ! A.325 at 1.70e+07 assign (resid 15 and name HB2) (resid 16 and name HN) 3.0 1.2 1.3 ! A.326 at 9.57e+06 assign (resid 15 and name HN) (resid 17 and name HG2#) 3.0 1.2 1.0 ! A.315 at 5.18e+06 assign (resid 15 and name HA) (resid 17 and name HN) 3.0 1.2 1.9 ! A.343 at 9.84e+06 assign (resid 15 and name HB1) (resid 17 and name HN) 3.0 1.2 1.3 ! A.344 at 8.91e+06 ! G16 assign (resid 16 and name HN) (resid 17 and name HG2#) 3.0 1.2 1.0 ! A.330 at 8.45e+06 assign (resid 16 and name HA1) (resid 17 and name HG2#) 4.0 2.2 1.5 ! A.320 at -3.03e+06 assign (resid 16 and name HN) (resid 17 and name HN) 3.0 1.2 0.5 ! A.347 at 1.87e+07 assign (resid 16 and name HA1) (resid 17 and name HN) 3.0 1.2 0.5 ! A.345 at 1.40e+07 assign (resid 16 and name HA2) (resid 17 and name HN) 3.0 1.2 0.5 ! A.346 at 1.43e+07 assign (resid 16 and name HA1) (resid 18 and name HN) 4.0 2.2 1.8 ! A.352 at 3.24e+06 assign (resid 16 and name HA1) (resid 36 and name HG2#) 3.0 1.2 0.8 ! A.321 at -3.50e+06 ! T17 assign (resid 17 and name HN) (resid 17 and name HB) 3.0 1.2 0.5 ! A.349 at 1.25e+07 assign (resid 17 and name HN) (resid 17 and name HG2#) 3.0 1.2 1.0 ! A.350 at 2.50e+07 assign (resid 17 and name HG2#) (resid 17 and name HA) 2.5 0.7 0.7 ! A.336 at -6.94e+07 assign (resid 17 and name HN) (resid 18 and name HN) 3.0 1.2 1.3 ! A.351 at 8.50e+06 assign (resid 17 and name HB) (resid 18 and name HN) 3.0 1.2 1.4 ! A.333 at -4.03e+06 assign (resid 17 and name HG2#) (resid 18 and name HN) 3.0 1.2 1.0 ! A.339 at -3.85e+07 assign (resid 17 and name HA) (resid 18 and name HN) 3.0 1.2 0.5 ! A.353 at 2.45e+07 assign (resid 17 and name HB) (resid 34 and name HD1) 4.0 2.2 1.0 ! A.334 at -1.88e+06 assign (resid 17 and name HB) (resid 34 and name HG1) 4.0 2.2 1.0 ! A.335 at -2.66e+06 assign (resid 17 and name HG2#) (resid 34 and name HG1) 3.0 1.2 0.8 ! A.340 at -2.22e+07 assign (resid 17 and name HG2#) (resid 34 and name HD2) 3.0 1.2 0.8 ! A.718 at -3.97e+06 assign (resid 17 and name HA) (resid 36 and name HN) 4.0 2.2 1.1 ! A.806 at 6.56e+06 assign (resid 17 and name HA) (resid 36 and name HA) 4.0 2.2 1.0 ! A.789 at -2.76e+06 assign (resid 17 and name HA) (resid 36 and name HB) 3.0 1.2 1.3 ! A.794 at -4.60e+06 assign (resid 17 and name HA) (resid 36 and name HG2#) 2.5 0.7 0.7 ! A.800 at -6.43e+07 assign (resid 17 and name HN) (resid 36 and name HG2#) 4.0 2.2 1.5 ! A.801 at -2.98e+06 ! W18 assign (resid 18 and name HN) (resid 18 and name HB1) 3.0 1.2 0.5 ! A.357 at 3.27e+06 assign (resid 18 and name HN) (resid 18 and name HB2) 3.0 1.2 0.5 ! A.358 at 3.71e+06 assign (resid 18 and name HN) (resid 18 and name HE1) 4.0 2.2 1.0 ! A.359 at 1.49e+06 assign (resid 18 and name HN) (resid 19 and name HN) 3.0 1.2 1.3 ! A.360 at 3.65e+06 assign (resid 18 and name HA) (resid 19 and name HN) 3.0 1.2 0.5 ! A.383 at 7.67e+06 assign (resid 18 and name HB1) (resid 19 and name HN) 3.0 1.2 1.0 ! A.384 at 4.57e+06 assign (resid 18 and name HB2) (resid 19 and name HN) 3.0 1.2 0.5 ! A.385 at 5.98e+06 assign (resid 18 and name HE1) (resid 20 and name HD2#) 4.0 2.2 2.0 ! A.365 at 2.57e+06 assign (resid 18 and name HN) (resid 34 and name HG1) 3.0 1.2 1.6 ! A.361 at 4.33e+06 assign (resid 18 and name HN) (resid 35 and name HG2#) 3.0 1.2 1.0 ! A.362 at 6.86e+06 assign (resid 18 and name HE1) (resid 35 and name HG2#) 4.0 2.2 1.5 ! A.366 at 1.80e+06 assign (resid 18 and name HN) (resid 36 and name HG2#) 3.0 1.2 1.0 ! A.363 at 1.19e+07 assign (resid 18 and name HE1) (resid 36 and name HG2#) 3.0 1.2 0.8 ! A.367 at 4.06e+06 assign (resid 18 and name HE1) (resid 36 and name HN) 4.0 2.2 1.0 ! A.807 at 2.20e+06 assign (resid 18 and name HE1) (resid 36 and name HA) 4.0 2.2 1.0 ! A.790 at -2.49e+06 assign (resid 18 and name HE1) (resid 37 and name HN) 3.0 1.2 0.5 ! A.370 at 4.20e+06 assign (resid 18 and name HE1) (resid 37 and name HA1) 3.0 1.2 0.3 ! A.368 at 5.96e+06 assign (resid 18 and name HE1) (resid 37 and name HA2) 4.0 2.2 1.0 ! A.369 at 1.95e+06 assign (resid 18 and name HE1) (resid 38 and name HN) 4.0 2.2 1.0 ! A.845 at 1.96e+06 assign (resid 18 and name HE1) (resid 85 and name HG1) 4.0 2.2 1.0 ! A.371 at 2.27e+06 assign (resid 18 and name HB1) (resid 86 and name HN) 3.0 1.2 1.4 ! A.1757 at 3.27e+06 assign (resid 18 and name HB2) (resid 86 and name HN) 4.0 2.2 1.0 ! A.1758 at 3.10e+06 assign (resid 18 and name HA) (resid 86 and name HB#) 3.0 1.2 0.8 ! A.1742 at -1.09e+07 assign (resid 18 and name HB1) (resid 86 and name HB#) 3.0 1.2 0.8 ! A.1743 at -1.63e+07 assign (resid 18 and name HB2) (resid 86 and name HB#) 3.0 1.2 0.8 ! A.1744 at -1.62e+07 ! E19 assign (resid 19 and name HN) (resid 19 and name HB1) 3.0 1.2 0.5 ! A.387 at 5.95e+06 assign (resid 19 and name HN) (resid 19 and name HB2) 4.0 2.2 1.0 ! A.388 at 2.88e+06 assign (resid 19 and name HN) (resid 19 and name HG1) 4.0 2.2 1.0 ! A.389 at 2.23e+06 assign (resid 19 and name HN) (resid 19 and name HG2) 3.0 1.2 0.5 ! A.390 at 5.21e+06 assign (resid 19 and name HG1) (resid 19 and name HA) 3.0 1.2 0.3 ! A.373 at -5.67e+06 assign (resid 19 and name HG1) (resid 32 and name HG2#) 3.0 1.2 1.2 ! A.379 at -6.93e+06 assign (resid 19 and name HG2) (resid 32 and name HG2#) 2.5 0.7 0.7 ! A.671 at -4.80e+07 assign (resid 19 and name HB2) (resid 32 and name HB) 3.0 1.2 0.3 ! A.659 at -5.52e+06 assign (resid 19 and name HG1) (resid 32 and name HB) 3.0 1.2 1.6 ! A.660 at -3.27e+06 assign (resid 19 and name HG2) (resid 32 and name HB) 3.0 1.2 0.3 ! A.661 at -6.04e+06 assign (resid 19 and name HB2) (resid 32 and name HG2#) 2.5 0.7 0.7 ! A.669 at -4.03e+07 assign (resid 19 and name HB2) (resid 33 and name HN) 4.0 2.2 1.0 ! A.709 at 2.83e+06 assign (resid 19 and name HG1) (resid 34 and name HA) 3.0 1.2 0.3 ! A.381 at -4.05e+06 assign (resid 19 and name HG1) (resid 34 and name HG1) 4.0 2.2 1.0 ! A.382 at -1.77e+06 assign (resid 19 and name HA) (resid 34 and name HN) 3.0 1.2 1.0 ! A.733 at 8.10e+06 assign (resid 19 and name HB1) (resid 34 and name HN) 4.0 2.2 1.0 ! A.734 at 2.55e+06 assign (resid 19 and name HB2) (resid 34 and name HN) 4.0 2.2 1.0 ! A.735 at 2.24e+06 assign (resid 19 and name HA) (resid 35 and name HN) 3.0 1.2 0.5 ! A.777 at 5.17e+06 assign (resid 19 and name HB1) (resid 35 and name HN) 4.0 2.2 1.0 ! A.778 at 2.79e+06 assign (resid 19 and name HA) (resid 35 and name HG2#) 3.0 1.2 0.8 ! A.765 at -5.44e+06 assign (resid 19 and name HN) (resid 86 and name HB#) 3.0 1.2 1.0 ! A.391 at 5.23e+06 ! L20 assign (resid 20 and name HD2#) (resid 20 and name HA) 3.0 1.2 0.8 ! A.392 at -8.35e+06 assign (resid 20 and name HD2#) (resid 20 and name HN) 3.0 1.2 1.0 ! A.396 at -3.29e+06 assign (resid 20 and name HD2#) (resid 20 and name HB1) 3.0 1.2 0.8 ! A.393 at -1.58e+07 assign (resid 20 and name HD2#) (resid 21 and name HN) 3.0 1.2 1.5 ! A.397 at -1.02e+07 assign (resid 20 and name HA) (resid 21 and name HN) 3.0 1.2 0.5 ! A.412 at 7.19e+06 assign (resid 20 and name HG) (resid 21 and name HN) 3.0 1.2 1.6 ! A.416 at 3.88e+06 assign (resid 20 and name HB1) (resid 21 and name HN) 4.0 2.2 1.0 ! A.413 at 2.00e+06 assign (resid 20 and name HD1#) (resid 21 and name HN) 3.0 1.2 1.0 ! A.414 at 3.82e+06 assign (resid 20 and name HD1#) (resid 21 and name HB1) 3.0 1.2 0.8 ! A.400 at -5.00e+06 assign (resid 20 and name HD2#) (resid 35 and name HG2#) 3.0 1.2 1.3 ! A.398 at -1.08e+07 assign (resid 20 and name HB2) (resid 35 and name HG2#) 3.0 1.2 0.8 ! A.766 at -1.02e+07 assign (resid 20 and name HD1#) (resid 85 and name HN) 3.0 1.2 1.0 ! A.1718 at 4.76e+06 assign (resid 20 and name HD2#) (resid 86 and name HA) 3.0 1.2 0.8 ! A.399 at -6.81e+06 assign (resid 20 and name HA) (resid 86 and name HA) 4.0 2.2 1.0 ! A.1739 at -2.04e+06 assign (resid 20 and name HA) (resid 86 and name HB#) 4.0 2.2 2.5 ! A.1747 at 3.25e+05 assign (resid 20 and name HD2#) (resid 86 and name HB#) 3.0 1.2 1.3 ! A.1748 at -8.58e+06 assign (resid 20 and name HD1#) (resid 88 and name HN) 3.0 1.2 1.0 ! A.1783 at 1.04e+07 assign (resid 20 and name HD2#) (resid 88 and name HN) 3.0 1.2 1.0 ! A.1784 at 9.54e+06 assign (resid 20 and name HD1#) (resid 88 and name HB#) 2.5 0.7 1.2 ! A.1772 at -3.20e+07 assign (resid 20 and name HG) (resid 90 and name HN) 3.0 1.2 2.0 ! A.1844 at 8.07e+06 assign (resid 20 and name HD1#) (resid 90 and name HN) 3.0 1.2 1.0 ! A.1843 at 3.85e+06 assign (resid 20 and name HD1#) (resid 90 and name HD1#) 3.0 1.2 1.3 ! A.1821 at -1.30e+07 assign (resid 20 and name HD1#) (resid 90 and name HD2#) 3.0 1.2 1.3 ! A.1829 at -5.00e+06 ! S21 assign (resid 21 and name HN) (resid 21 and name HB1) 3.0 1.2 0.5 ! A.418 at 6.19e+06 assign (resid 21 and name HB1) (resid 22 and name HA) 3.0 1.2 1.1 ! A.403 at -3.95e+06 assign (resid 21 and name HB1) (resid 22 and name HN) 3.0 1.2 0.5 ! A.404 at -1.14e+07 assign (resid 21 and name HA) (resid 22 and name HG2#) 3.0 1.2 0.8 ! A.436 at -1.14e+07 assign (resid 21 and name HA) (resid 31 and name HN) 4.0 2.2 1.0 ! A.635 at 2.04e+06 assign (resid 21 and name HN) (resid 32 and name HA) 4.0 2.2 1.0 ! A.419 at 1.81e+06 assign (resid 21 and name HB1) (resid 32 and name HA) 4.0 2.2 1.5 ! A.405 at -6.10e+06 assign (resid 21 and name HB1) (resid 32 and name HG2#) 3.0 1.2 1.2 ! A.406 at -7.58e+06 assign (resid 21 and name HA) (resid 32 and name HA) 3.0 1.2 0.3 ! A.652 at -5.32e+06 assign (resid 21 and name HA) (resid 32 and name HG2#) 2.5 0.7 0.7 ! A.672 at -3.27e+07 assign (resid 21 and name HN) (resid 89 and name HA) 3.0 1.2 0.5 ! A.420 at 6.07e+06 assign (resid 21 and name HB1) (resid 89 and name HB1) 3.0 1.2 0.3 ! A.407 at -5.22e+06 assign (resid 21 and name HB1) (resid 89 and name HD1) 2.5 0.7 0.2 ! A.1795 at -2.85e+07 assign (resid 21 and name HB1) (resid 89 and name HE1) 3.0 1.2 1.6 ! A.409 at -3.89e+06 assign (resid 21 and name HB1) (resid 89 and name HG2) 3.0 1.2 1.4 ! A.410 at -1.09e+07 assign (resid 21 and name HB1) (resid 89 and name HG1) 3.0 1.2 1.1 ! A.1801 at -6.55e+06 assign (resid 21 and name HB1) (resid 90 and name HN) 3.0 1.2 0.5 ! A.411 at -4.77e+06 ! V22 assign (resid 22 and name HB) (resid 22 and name HN) 4.0 2.2 1.0 ! A.423 at -2.71e+06 assign (resid 22 and name HG1#) (resid 22 and name HA) 3.0 1.2 0.8 ! A.426 at -1.06e+07 assign (resid 22 and name HG1#) (resid 22 and name HN) 3.0 1.2 1.0 ! A.428 at -1.36e+07 assign (resid 22 and name HG2#) (resid 22 and name HA) 3.0 1.2 0.8 ! A.437 at -1.17e+07 assign (resid 22 and name HG2#) (resid 22 and name HN) 3.0 1.2 1.0 ! A.440 at -1.07e+07 assign (resid 22 and name HG1#) (resid 23 and name HN) 3.0 1.2 1.0 ! A.429 at -1.49e+07 assign (resid 22 and name HA) (resid 23 and name HN) 3.0 1.2 0.5 ! A.451 at 3.40e+06 assign (resid 22 and name HB) (resid 23 and name HN) 4.0 2.2 1.0 ! A.452 at 2.40e+06 assign (resid 22 and name HG2#) (resid 23 and name HN) 3.0 1.2 1.0 ! A.453 at 7.93e+06 assign (resid 22 and name HG1#) (resid 24 and name HG2#) 3.0 1.2 1.3 ! A.465 at -1.54e+07 assign (resid 22 and name HN) (resid 31 and name HN) 3.0 1.2 0.5 ! A.637 at 3.42e+06 assign (resid 22 and name HG2#) (resid 31 and name HN) 3.0 1.2 1.6 ! A.636 at 3.30e+06 assign (resid 22 and name HN) (resid 31 and name HB) 4.0 2.2 1.0 ! A.613 at -2.89e+06 assign (resid 22 and name HG2#) (resid 32 and name HA) 3.0 1.2 0.8 ! A.441 at -9.61e+06 assign (resid 22 and name HN) (resid 32 and name HA) 3.0 1.2 0.5 ! A.654 at -5.85e+06 assign (resid 22 and name HN) (resid 32 and name HB) 4.0 2.2 1.8 ! A.662 at -1.24e+07 assign (resid 22 and name HN) (resid 32 and name HG2#) 2.5 0.7 0.9 ! A.673 at -2.99e+07 assign (resid 22 and name HB) (resid 48 and name HD1#) 2.5 0.7 0.7 ! A.1025 at -2.87e+07 assign (resid 22 and name HB) (resid 48 and name HD2#) 3.0 1.2 0.8 ! A.1033 at -5.26e+06 assign (resid 22 and name HG1#) (resid 48 and name HD1#) 3.0 1.2 1.3 ! A.430 at -8.01e+06 assign (resid 22 and name HG1#) (resid 48 and name HD2#) 2.5 0.7 1.2 ! A.431 at -2.96e+07 assign (resid 22 and name HG2#) (resid 48 and name HD1#) 3.0 1.2 1.3 ! A.442 at -1.26e+07 assign (resid 22 and name HG2#) (resid 48 and name HD2#) 3.0 1.2 1.3 ! A.443 at -1.25e+07 assign (resid 22 and name HG2#) (resid 90 and name HA) 3.0 1.2 1.5 ! A.444 at -9.61e+06 assign (resid 22 and name HG2#) (resid 90 and name HN) 3.0 1.2 1.0 ! A.446 at -1.04e+07 assign (resid 22 and name HG2#) (resid 90 and name HB2) 2.5 0.7 0.7 ! A.445 at -2.82e+07 assign (resid 22 and name HA) (resid 90 and name HN) 4.0 2.2 1.0 ! A.1846 at 2.67e+06 assign (resid 22 and name HG1#) (resid 91 and name HA) 3.0 1.2 0.8 ! A.432 at -1.04e+07 assign (resid 22 and name HG2#) (resid 91 and name HA) 3.0 1.2 0.8 ! A.447 at -3.77e+06 assign (resid 22 and name HG2#) (resid 91 and name HN) 3.0 1.2 1.0 ! A.448 at -1.06e+07 assign (resid 22 and name HG1#) (resid 91 and name HN) 3.0 1.2 1.0 ! A.1878 at 1.39e+07 assign (resid 22 and name HG1#) (resid 92 and name HN) 3.0 1.2 1.0 ! A.435 at -5.24e+06 assign (resid 22 and name HG1#) (resid 92 and name HB1) 3.0 1.2 0.8 ! A.433 at -1.22e+07 assign (resid 22 and name HG1#) (resid 92 and name HB2) 3.0 1.2 0.8 ! A.434 at -9.10e+06 assign (resid 22 and name HG2#) (resid 92 and name HB1) 3.0 1.2 1.7 ! A.449 at -3.76e+06 assign (resid 22 and name HG2#) (resid 92 and name HB2) 3.0 1.2 0.8 ! A.450 at -5.74e+06 ! H23 assign (resid 23 and name HN) (resid 23 and name HB1) 3.0 1.2 0.5 ! A.454 at 3.61e+06 assign (resid 23 and name HN) (resid 23 and name HB2) 3.0 1.2 0.5 ! A.455 at 3.61e+06 assign (resid 23 and name HN) (resid 24 and name HN) 4.0 2.2 1.0 ! A.456 at 2.05e+06 assign (resid 23 and name HB1) (resid 25 and name HG2#) 3.0 1.2 0.8 ! A.480 at -8.90e+06 assign (resid 23 and name HA) (resid 29 and name HN) 4.0 2.2 1.2 ! A.565 at 5.45e+06 assign (resid 23 and name HA) (resid 30 and name HN) 4.0 2.2 1.0 ! A.596 at 1.69e+06 assign (resid 23 and name HA) (resid 31 and name HN) 4.0 2.2 1.0 ! A.638 at 2.23e+06 assign (resid 23 and name HB2) (resid 31 and name HN) 4.0 2.2 2.1 ! A.639 at 1.72e+06 assign (resid 23 and name HN) (resid 90 and name HB2) 4.0 2.2 1.0 ! A.457 at 2.07e+06 assign (resid 23 and name HN) (resid 91 and name HA) 4.0 2.2 1.0 ! A.458 at 1.75e+06 assign (resid 23 and name HN) (resid 91 and name HB2) 4.0 2.2 1.0 ! A.459 at 1.44e+06 assign (resid 23 and name HN) (resid 91 and name HG1) 4.0 2.2 1.0 ! A.460 at 1.67e+06 assign (resid 23 and name HN) (resid 91 and name HN) 4.0 2.2 1.0 ! A.1880 at 2.77e+06 assign (resid 23 and name HB2) (resid 91 and name HN) 4.0 2.2 1.0 ! A.1879 at 2.09e+06 assign (resid 23 and name HB2) (resid 91 and name HA) 4.0 2.2 1.0 ! A.1856 at -1.81e+06 assign (resid 23 and name HB2) (resid 91 and name HG1) 3.0 1.2 0.3 ! A.1862 at -3.61e+06 assign (resid 23 and name HB1) (resid 91 and name HG2) 3.0 1.2 0.3 ! A.1861 at -3.71e+06 assign (resid 23 and name HB2) (resid 91 and name HG2) 3.0 1.2 0.3 ! A.1863 at -4.43e+06 assign (resid 23 and name HB2) (resid 91 and name HE21) 4.0 2.2 1.0 ! A.1895 at 2.55e+06 assign (resid 23 and name HN) (resid 92 and name HN) 4.0 2.2 1.0 ! A.461 at 1.60e+06 assign (resid 23 and name HB1) (resid 92 and name HN) 4.0 2.2 1.0 ! A.1913 at 2.84e+06 ! V24 assign (resid 24 and name HN) (resid 24 and name HB) 4.0 2.2 1.0 ! A.468 at 1.79e+06 assign (resid 24 and name HN) (resid 24 and name HG1#) 4.0 2.2 1.5 ! A.469 at 2.15e+06 assign (resid 24 and name HN) (resid 24 and name HG2#) 4.0 2.2 1.5 ! A.470 at 2.76e+06 assign (resid 24 and name HG2#) (resid 25 and name HN) 3.0 1.2 1.4 ! A.490 at 5.73e+06 assign (resid 24 and name HN) (resid 27 and name HB1) 4.0 2.2 1.4 ! A.471 at 1.72e+06 assign (resid 24 and name HG1#) (resid 27 and name HA) 3.0 1.2 1.3 ! A.498 at -1.28e+07 assign (resid 24 and name HG1#) (resid 27 and name HD1#) 2.5 0.7 1.2 ! A.504 at -3.05e+07 assign (resid 24 and name HG1#) (resid 28 and name HN) 3.0 1.2 1.0 ! A.530 at 7.85e+06 assign (resid 24 and name HN) (resid 29 and name HA) 4.0 2.2 1.0 ! A.472 at 1.47e+06 assign (resid 24 and name HB) (resid 29 and name HN) 3.0 1.2 0.5 ! A.566 at 1.25e+07 assign (resid 24 and name HN) (resid 29 and name HN) 3.0 1.2 0.8 ! A.569 at 1.14e+07 assign (resid 24 and name HG1#) (resid 29 and name HN) 3.0 1.2 1.1 ! A.567 at 2.94e+07 assign (resid 24 and name HG2#) (resid 29 and name HN) 3.0 1.2 1.0 ! A.568 at 1.98e+07 assign (resid 24 and name HN) (resid 30 and name HN) 3.0 1.2 1.2 ! A.597 at 6.41e+06 assign (resid 24 and name HN) (resid 30 and name HA) 4.0 2.2 1.0 ! A.589 at -2.78e+06 assign (resid 24 and name HN) (resid 31 and name HN) 3.0 1.2 0.5 ! A.642 at 9.91e+06 assign (resid 24 and name HG1#) (resid 31 and name HN) 4.0 2.2 1.5 ! A.640 at 2.05e+06 assign (resid 24 and name HG2#) (resid 31 and name HN) 4.0 2.2 1.5 ! A.641 at 2.10e+06 assign (resid 24 and name HG2#) (resid 31 and name HB) 4.0 2.2 1.5 ! A.614 at -2.56e+06 assign (resid 24 and name HG2#) (resid 92 and name HB2) 3.0 1.2 0.8 ! A.467 at -4.92e+06 assign (resid 24 and name HG1#) (resid 92 and name HN) 3.0 1.2 1.0 ! A.1915 at 3.48e+06 assign (resid 24 and name HG2#) (resid 92 and name HN) 4.0 2.2 1.5 ! A.1916 at 2.99e+06 ! T25 assign (resid 25 and name HN) (resid 25 and name HB) 3.0 1.2 0.5 ! A.492 at 4.52e+06 assign (resid 25 and name HN) (resid 25 and name HG2#) 3.0 1.2 1.0 ! A.493 at 2.67e+07 assign (resid 25 and name HA) (resid 25 and name HG2#) 3.0 1.2 0.8 ! A.474 at -1.12e+07 assign (resid 25 and name HN) (resid 27 and name HN) 4.0 2.2 1.0 ! A.494 at 3.13e+06 assign (resid 25 and name HA) (resid 27 and name HN) 3.0 1.2 0.5 ! A.476 at -6.56e+06 assign (resid 25 and name HN) (resid 28 and name HN) 3.0 1.2 1.1 ! A.531 at 4.55e+06 assign (resid 25 and name HA) (resid 29 and name HN) 3.0 1.2 1.8 ! A.570 at 4.35e+06 assign (resid 25 and name HN) (resid 91 and name HB2) 4.0 2.2 1.0 ! A.495 at 3.07e+06 assign (resid 25 and name HG2#) (resid 91 and name HA) 3.0 1.2 0.8 ! A.484 at -6.91e+06 assign (resid 25 and name HG2#) (resid 91 and name HB2) 3.0 1.2 0.8 ! A.485 at -1.46e+07 assign (resid 25 and name HG2#) (resid 91 and name HG1) 3.0 1.2 1.2 ! A.487 at -1.45e+07 assign (resid 25 and name HG2#) (resid 91 and name HG2) 3.0 1.2 0.8 ! A.488 at -9.76e+06 assign (resid 25 and name HG2#) (resid 91 and name HE22) 2.5 0.7 0.7 ! A.486 at -3.45e+07 assign (resid 25 and name HG2#) (resid 91 and name HE21) 3.0 1.2 0.8 ! A.1896 at 4.73e+06 assign (resid 25 and name HN) (resid 92 and name HA) 4.0 2.2 1.0 ! A.496 at 2.14e+06 assign (resid 25 and name HN) (resid 92 and name HN) 4.0 2.2 1.0 ! A.497 at 2.07e+06 assign (resid 25 and name HG2#) (resid 92 and name HN) 3.0 1.2 1.0 ! A.489 at -8.73e+06 assign (resid 25 and name HB) (resid 93 and name HB) 4.0 2.2 1.0 ! A.1924 at -1.44e+06 assign (resid 25 and name HG2#) (resid 93 and name HB) 3.0 1.2 0.8 ! A.1925 at -5.55e+06 ! D26 ! L27 assign (resid 27 and name HA) (resid 27 and name HG) 3.0 1.2 0.3 ! A.501 at -1.22e+07 assign (resid 27 and name HA) (resid 27 and name HD2#) 3.0 1.2 0.8 ! A.500 at -1.52e+07 assign (resid 27 and name HB1) (resid 27 and name HD2#) 3.0 1.2 0.8 ! A.503 at -3.21e+06 assign (resid 27 and name HD1#) (resid 27 and name HA) 3.0 1.2 0.8 ! A.505 at -1.40e+07 assign (resid 27 and name HD1#) (resid 27 and name HB1) 2.5 0.7 0.7 ! A.506 at -2.95e+07 assign (resid 27 and name HA) (resid 28 and name HN) 3.0 1.2 0.5 ! A.532 at 8.07e+06 assign (resid 27 and name HN) (resid 28 and name HN) 3.0 1.2 0.5 ! A.536 at 1.45e+07 assign (resid 27 and name HB1) (resid 28 and name HN) 3.0 1.2 0.5 ! A.533 at 8.81e+06 assign (resid 27 and name HB2) (resid 28 and name HN) 3.0 1.2 0.5 ! A.534 at 7.85e+06 assign (resid 27 and name HD2#) (resid 28 and name HN) 3.0 1.2 1.6 ! A.535 at 4.83e+06 assign (resid 27 and name HB1) (resid 28 and name HB1) 4.0 2.2 1.0 ! A.517 at -2.81e+06 assign (resid 27 and name HD1#) (resid 29 and name HD1) 3.0 1.2 0.8 ! A.507 at -8.87e+06 assign (resid 27 and name HA) (resid 29 and name HN) 3.0 1.2 1.6 ! A.571 at 7.19e+06 assign (resid 27 and name HB1) (resid 29 and name HN) 2.5 0.7 0.4 ! A.572 at 3.27e+07 assign (resid 27 and name HB2) (resid 29 and name HN) 2.5 0.7 0.8 ! A.573 at 2.94e+07 assign (resid 27 and name HD1#) (resid 29 and name HN) 3.0 1.2 1.3 ! A.574 at 1.69e+07 assign (resid 27 and name HD2#) (resid 29 and name HN) 3.0 1.2 1.3 ! A.575 at 1.82e+07 !! relaxed assign (resid 27 and name HD2#) (resid 29 and name HD1) 3.0 1.2 0.8 ! A.556 at -9.15e+06 assign (resid 27 and name HD1#) (resid 52 and name HD1#) 3.0 1.2 1.3 ! A.508 at -1.81e+07 assign (resid 27 and name HD2#) (resid 52 and name HD1#) 3.0 1.2 1.3 ! A.1096 at -2.55e+07 assign (resid 27 and name HD1#) (resid 56 and name HE2) 3.0 1.2 0.8 ! A.510 at -9.16e+06 assign (resid 27 and name HD2#) (resid 56 and name HE1) 3.0 1.2 0.8 ! A.513 at -1.98e+07 ! N28 assign (resid 28 and name HN) (resid 28 and name HB1) 3.0 1.2 0.9 ! A.538 at 6.42e+06 assign (resid 28 and name HN) (resid 28 and name HB2) 3.0 1.2 0.5 ! A.539 at 8.52e+06 assign (resid 28 and name HB1) (resid 28 and name HD21) 3.0 1.2 0.3 ! A.522 at -9.66e+06 assign (resid 28 and name HB1) (resid 28 and name HD22) 3.0 1.2 0.8 ! A.524 at -1.04e+07 assign (resid 28 and name HB2) (resid 28 and name HD21) 3.0 1.2 0.3 ! A.523 at -7.94e+06 assign (resid 28 and name HB2) (resid 28 and name HD22) 3.0 1.2 1.1 ! A.525 at -7.91e+06 assign (resid 28 and name HD21) (resid 28 and name HA) 3.0 1.2 0.3 ! A.542 at 3.56e+06 assign (resid 28 and name HD22) (resid 28 and name HA) 3.0 1.2 0.3 ! A.543 at 4.37e+06 assign (resid 28 and name HN) (resid 29 and name HA) 4.0 2.2 1.2 ! A.540 at 1.44e+07 assign (resid 28 and name HN) (resid 29 and name HN) 3.0 1.2 0.5 ! A.541 at 1.75e+07 assign (resid 28 and name HA) (resid 29 and name HN) 3.0 1.2 0.5 ! A.516 at -6.57e+06 assign (resid 28 and name HB1) (resid 29 and name HA) 4.0 2.2 1.0 ! A.528 at -2.21e+06 assign (resid 28 and name HB2) (resid 29 and name HA) 4.0 2.2 1.6 ! A.529 at -2.90e+06 assign (resid 28 and name HD21) (resid 29 and name HA) 3.0 1.2 1.0 ! A.550 at 8.08e+06 assign (resid 28 and name HD22) (resid 29 and name HA) 4.0 2.2 1.3 ! A.551 at 7.24e+06 assign (resid 28 and name HB1) (resid 29 and name HN) 3.0 1.2 0.9 ! A.577 at 1.10e+07 assign (resid 28 and name HB2) (resid 29 and name HN) 3.0 1.2 1.4 ! A.578 at 1.68e+07 assign (resid 28 and name HD21) (resid 29 and name HN) 4.0 2.2 1.0 ! A.579 at 2.86e+06 ! R29 assign (resid 29 and name HN) (resid 29 and name HB1) 2.5 0.7 1.2 ! A.582 at 3.93e+07 assign (resid 29 and name HN) (resid 29 and name HB2) 2.5 0.7 0.4 ! A.583 at 3.93e+07 assign (resid 29 and name HN) (resid 29 and name HD1) 3.0 1.2 0.9 ! A.584 at 7.89e+06 assign (resid 29 and name HN) (resid 29 and name HG2) 2.5 0.7 1.1 ! A.585 at 3.69e+07 assign (resid 29 and name HB1) (resid 29 and name HD1) 4.0 2.2 1.0 ! A.553 at -2.38e+06 assign (resid 29 and name HD1) (resid 29 and name HA) 3.0 1.2 1.4 ! A.557 at -2.71e+07 assign (resid 29 and name HG1) (resid 29 and name HA) 3.0 1.2 0.3 ! A.560 at -1.04e+07 assign (resid 29 and name HG1) (resid 29 and name HN) 3.0 1.2 0.5 ! A.563 at -6.62e+06 assign (resid 29 and name HG2) (resid 29 and name HA) 3.0 1.2 0.3 ! A.561 at -1.38e+07 assign (resid 29 and name HN) (resid 30 and name HA) 4.0 2.2 1.0 ! A.586 at 3.05e+06 assign (resid 29 and name HN) (resid 30 and name HN) 3.0 1.2 1.3 ! A.587 at 1.18e+07 assign (resid 29 and name HA) (resid 30 and name HN) 2.5 0.7 0.4 ! A.598 at 3.01e+07 assign (resid 29 and name HB1) (resid 30 and name HN) 3.0 1.2 0.5 ! A.599 at 2.01e+07 assign (resid 29 and name HD1) (resid 30 and name HN) 3.0 1.2 1.8 ! A.600 at 6.03e+06 assign (resid 29 and name HG1) (resid 30 and name HN) 3.0 1.2 1.5 ! A.601 at 2.06e+07 assign (resid 29 and name HG2) (resid 30 and name HN) 3.0 1.2 1.0 ! A.602 at 1.54e+07 assign (resid 29 and name HA) (resid 30 and name HA) 4.0 2.2 1.0 ! A.590 at -1.50e+06 assign (resid 29 and name HN) (resid 31 and name HG2#) 4.0 2.2 1.0 ! A.588 at 7.32e+06 assign (resid 29 and name HB2) (resid 31 and name HG2#) 3.0 1.2 0.8 ! A.555 at -7.35e+06 assign (resid 29 and name HD1) (resid 31 and name HG2#) 3.0 1.2 0.8 ! A.559 at -7.01e+06 ! D30 assign (resid 30 and name HN) (resid 30 and name HB1) 3.0 1.2 0.8 ! A.605 at 2.77e+07 assign (resid 30 and name HN) (resid 31 and name HA) 4.0 2.2 1.0 ! A.606 at 2.87e+06 assign (resid 30 and name HN) (resid 31 and name HN) 3.0 1.2 1.0 ! A.608 at 6.93e+06 assign (resid 30 and name HN) (resid 31 and name HG2#) 3.0 1.2 1.0 ! A.607 at 6.94e+06 assign (resid 30 and name HA) (resid 31 and name HA) 4.0 2.2 1.0 ! A.593 at -1.98e+06 assign (resid 30 and name HA) (resid 31 and name HN) 3.0 1.2 0.5 ! A.643 at 7.41e+06 assign (resid 30 and name HB1) (resid 31 and name HA) 4.0 2.2 1.0 ! A.595 at -3.07e+06 assign (resid 30 and name HB1) (resid 31 and name HN) 3.0 1.2 0.5 ! A.644 at 5.32e+06 assign (resid 30 and name HA) (resid 31 and name HB) 4.0 2.2 1.0 ! A.615 at -2.41e+06 assign (resid 30 and name HB1) (resid 31 and name HB) 4.0 2.2 1.9 ! A.616 at -1.98e+06 assign (resid 30 and name HA) (resid 31 and name HG1#) 4.0 2.2 1.3 ! A.625 at -6.67e+06 ! V31 assign (resid 31 and name HN) (resid 31 and name HB) 3.0 1.2 0.5 ! A.647 at 6.02e+06 assign (resid 31 and name HN) (resid 31 and name HG1#) 3.0 1.2 1.0 ! A.648 at 8.64e+06 assign (resid 31 and name HA) (resid 31 and name HG1#) 3.0 1.2 0.8 ! A.610 at -1.19e+07 assign (resid 31 and name HA) (resid 31 and name HG2#) 3.0 1.2 0.8 ! A.611 at -1.08e+07 assign (resid 31 and name HN) (resid 32 and name HA) 4.0 2.2 1.0 ! A.649 at 1.99e+06 assign (resid 31 and name HN) (resid 32 and name HN) 4.0 2.2 1.0 ! A.650 at 1.89e+06 assign (resid 31 and name HA) (resid 32 and name HN) 3.0 1.2 0.5 ! A.612 at -1.00e+07 assign (resid 31 and name HB) (resid 32 and name HA) 4.0 2.2 1.0 ! A.620 at -2.54e+06 assign (resid 31 and name HB) (resid 32 and name HN) 3.0 1.2 0.5 ! A.680 at 8.83e+06 assign (resid 31 and name HG1#) (resid 32 and name HN) 3.0 1.2 1.0 ! A.629 at -5.82e+06 assign (resid 31 and name HG2#) (resid 32 and name HN) 3.0 1.2 1.0 ! A.633 at -1.47e+07 assign (resid 31 and name HA) (resid 32 and name HB) 4.0 2.2 1.3 ! A.663 at -8.56e+06 assign (resid 31 and name HG1#) (resid 32 and name HB) 3.0 1.2 1.5 ! A.664 at -7.78e+06 assign (resid 31 and name HN) (resid 48 and name HD1#) 4.0 2.2 1.5 ! A.651 at 1.90e+06 assign (resid 31 and name HB) (resid 48 and name HG) 4.0 2.2 1.0 ! A.624 at -2.56e+06 assign (resid 31 and name HB) (resid 48 and name HD1#) 2.5 0.7 0.7 ! A.1026 at -2.87e+07 assign (resid 31 and name HB) (resid 48 and name HD2#) 3.0 1.2 0.8 ! A.1035 at -5.26e+06 assign (resid 31 and name HG1#) (resid 48 and name HG) 3.0 1.2 1.3 ! A.632 at -2.32e+07 assign (resid 31 and name HG1#) (resid 48 and name HD1#) 3.0 1.2 1.3 ! A.630 at -1.86e+07 assign (resid 31 and name HG1#) (resid 48 and name HD2#) 3.0 1.2 1.3 ! A.631 at -5.19e+06 assign (resid 31 and name HG2#) (resid 48 and name HD1#) 3.0 1.2 1.3 ! A.634 at -1.14e+07 ! T32 assign (resid 32 and name HN) (resid 32 and name HB) 3.0 1.2 0.5 ! A.683 at 6.46e+06 assign (resid 32 and name HN) (resid 32 and name HG2#) 3.0 1.2 1.0 ! A.684 at 4.13e+06 assign (resid 32 and name HA) (resid 32 and name HG2#) 3.0 1.2 0.8 ! A.656 at -4.89e+06 assign (resid 32 and name HA) (resid 33 and name HN) 3.0 1.2 0.5 ! A.658 at -6.09e+06 assign (resid 32 and name HA) (resid 33 and name HB1) 4.0 2.2 1.5 ! A.657 at -2.59e+06 assign (resid 32 and name HB) (resid 33 and name HN) 3.0 1.2 0.5 ! A.668 at -1.25e+07 assign (resid 32 and name HG2#) (resid 33 and name HN) 2.5 0.7 0.9 ! A.678 at -5.08e+07 assign (resid 32 and name HG2#) (resid 33 and name HD2#) 3.0 1.2 1.3 ! A.677 at -2.14e+07 assign (resid 32 and name HN) (resid 33 and name HN) 4.0 2.2 1.0 ! A.712 at 2.21e+06 ! L33 assign (resid 33 and name HN) (resid 33 and name HB1) 3.0 1.2 0.5 ! A.714 at 7.11e+06 assign (resid 33 and name HN) (resid 33 and name HB2) 3.0 1.2 0.5 ! A.715 at 5.85e+06 assign (resid 33 and name HN) (resid 33 and name HD1#) 3.0 1.2 1.3 ! A.716 at 8.80e+06 assign (resid 33 and name HN) (resid 33 and name HD2#) 3.0 1.2 1.0 ! A.717 at 8.80e+06 assign (resid 33 and name HD1#) (resid 33 and name HA) 3.0 1.2 0.8 ! A.689 at -9.58e+06 assign (resid 33 and name HD2#) (resid 33 and name HA) 2.5 0.7 0.7 ! A.701 at -4.49e+07 assign (resid 33 and name HD2#) (resid 33 and name HB1) 2.5 0.7 0.7 ! A.702 at -9.79e+07 assign (resid 33 and name HD2#) (resid 33 and name HB2) 2.5 0.7 0.7 ! A.703 at -3.89e+07 assign (resid 33 and name HD1#) (resid 34 and name HN) 3.0 1.2 1.0 ! A.691 at -5.22e+06 assign (resid 33 and name HD2#) (resid 34 and name HN) 3.0 1.2 1.0 ! A.705 at -1.33e+07 assign (resid 33 and name HA) (resid 34 and name HN) 2.5 0.7 0.4 ! A.736 at 2.94e+07 assign (resid 33 and name HN) (resid 34 and name HN) 3.0 1.2 1.1 ! A.739 at 4.30e+06 assign (resid 33 and name HB2) (resid 34 and name HN) 3.0 1.2 1.4 ! A.737 at 1.00e+07 assign (resid 33 and name HD1#) (resid 44 and name HA) 3.0 1.2 0.8 ! A.692 at -5.31e+06 assign (resid 33 and name HB1) (resid 44 and name HA) 4.0 2.2 1.0 ! A.974 at -2.93e+06 assign (resid 33 and name HD1#) (resid 47 and name HB1) 3.0 1.2 0.8 ! A.693 at -2.28e+07 assign (resid 33 and name HD1#) (resid 47 and name HB2) 3.0 1.2 0.8 ! A.694 at -2.28e+07 assign (resid 33 and name HD1#) (resid 48 and name HA) 3.0 1.2 0.8 ! A.695 at -7.66e+06 assign (resid 33 and name HD1#) (resid 48 and name HN) 3.0 1.2 1.0 ! A.698 at -6.03e+06 assign (resid 33 and name HD1#) (resid 48 and name HD1#) 3.0 1.2 1.3 ! A.696 at -6.19e+06 assign (resid 33 and name HD1#) (resid 48 and name HD2#) 3.0 1.2 1.8 ! A.697 at -5.76e+06 assign (resid 33 and name HD2#) (resid 48 and name HA) 3.0 1.2 0.8 ! A.706 at -2.31e+07 assign (resid 33 and name HD2#) (resid 48 and name HN) 3.0 1.2 1.0 ! A.707 at -8.26e+06 assign (resid 33 and name HD1#) (resid 48 and name HB1) 4.0 2.2 1.5 ! A.1022 at -2.20e+06 assign (resid 33 and name HD2#) (resid 48 and name HB1) 4.0 2.2 1.5 ! A.1023 at -3.05e+06 assign (resid 33 and name HD2#) (resid 48 and name HD2#) 3.0 1.2 1.3 ! A.1036 at -1.53e+07 assign (resid 33 and name HD1#) (resid 51 and name HD1) 3.0 1.2 0.8 ! A.699 at -2.61e+07 assign (resid 33 and name HD1#) (resid 51 and name HE1) 3.0 1.2 0.8 ! A.700 at -5.84e+06 assign (resid 33 and name HD2#) (resid 51 and name HE1) 3.0 1.2 0.8 ! A.708 at -2.05e+07 assign (resid 33 and name HD2#) (resid 51 and name HD1) 3.0 1.2 0.8 ! A.1071 at -2.59e+07 assign (resid 33 and name HD1#) (resid 51 and name HD2) 3.0 1.2 0.8 ! A.1070 at -4.77e+06 assign (resid 33 and name HD1#) (resid 51 and name HG1) 3.0 1.2 0.8 ! A.1076 at -2.45e+07 ! R34 assign (resid 34 and name HN) (resid 34 and name HB1) 2.5 0.7 0.4 ! A.741 at 2.82e+07 assign (resid 34 and name HN) (resid 34 and name HD1) 4.0 2.2 1.0 ! A.742 at 3.06e+06 assign (resid 34 and name HN) (resid 34 and name HD2) 3.0 1.2 1.7 ! A.743 at 4.07e+06 assign (resid 34 and name HN) (resid 34 and name HG1) 3.0 1.2 1.4 ! A.744 at 2.99e+07 assign (resid 34 and name HD1) (resid 34 and name HA) 3.0 1.2 0.3 ! A.719 at -1.26e+07 assign (resid 34 and name HD1) (resid 34 and name HB1) 3.0 1.2 0.6 ! A.721 at -1.13e+07 assign (resid 34 and name HD2) (resid 34 and name HA) 3.0 1.2 0.3 ! A.720 at -1.43e+07 assign (resid 34 and name HD2) (resid 34 and name HB1) 3.0 1.2 0.9 ! A.722 at -9.64e+06 assign (resid 34 and name HG2) (resid 34 and name HA) 3.0 1.2 0.7 ! A.727 at -8.62e+06 assign (resid 34 and name HG2) (resid 34 and name HN) 3.0 1.2 1.7 ! A.732 at -3.95e+06 assign (resid 34 and name HN) (resid 35 and name HN) 3.0 1.2 1.3 ! A.747 at 4.79e+06 assign (resid 34 and name HN) (resid 35 and name HG1#) 3.0 1.2 1.0 ! A.745 at 4.74e+06 assign (resid 34 and name HN) (resid 35 and name HG2#) 4.0 2.2 1.5 ! A.746 at 3.08e+06 assign (resid 34 and name HA) (resid 35 and name HN) 3.0 1.2 0.5 ! A.779 at 1.52e+07 assign (resid 34 and name HD1) (resid 35 and name HN) 4.0 2.2 1.0 ! A.780 at 3.53e+06 assign (resid 34 and name HG1) (resid 35 and name HN) 3.0 1.2 0.5 ! A.781 at 7.39e+06 assign (resid 34 and name HA) (resid 35 and name HG1#) 3.0 1.2 0.8 ! A.756 at -1.06e+07 ! V35 assign (resid 35 and name HN) (resid 35 and name HB) 3.0 1.2 0.9 ! A.784 at 9.48e+06 assign (resid 35 and name HN) (resid 35 and name HG1#) 3.0 1.2 1.0 ! A.785 at 8.72e+06 assign (resid 35 and name HN) (resid 35 and name HG2#) 3.0 1.2 1.0 ! A.786 at 1.45e+07 assign (resid 35 and name HA) (resid 35 and name HG1#) 3.0 1.2 0.8 ! A.749 at -8.73e+06 assign (resid 35 and name HA) (resid 35 and name HG2#) 3.0 1.2 0.8 ! A.750 at -5.42e+06 assign (resid 35 and name HN) (resid 36 and name HN) 4.0 2.2 1.0 ! A.787 at 2.75e+06 assign (resid 35 and name HA) (resid 36 and name HN) 3.0 1.2 0.5 ! A.752 at -5.32e+06 assign (resid 35 and name HA) (resid 36 and name HG2#) 3.0 1.2 0.8 ! A.751 at -9.49e+06 assign (resid 35 and name HB) (resid 36 and name HN) 3.0 1.2 0.5 ! A.809 at 1.52e+07 assign (resid 35 and name HG1#) (resid 36 and name HN) 3.0 1.2 1.0 ! A.762 at -1.21e+07 assign (resid 35 and name HG2#) (resid 36 and name HA) 4.0 2.2 1.5 ! A.772 at -2.45e+06 assign (resid 35 and name HG2#) (resid 36 and name HN) 3.0 1.2 1.0 ! A.773 at -7.19e+06 assign (resid 35 and name HG2#) (resid 37 and name HN) 4.0 2.2 1.5 ! A.826 at 1.58e+06 assign (resid 35 and name HB) (resid 38 and name HN) 4.0 2.2 1.0 ! A.846 at 2.12e+06 assign (resid 35 and name HN) (resid 39 and name HG1#) 3.0 1.2 1.9 ! A.788 at 7.06e+06 assign (resid 35 and name HA) (resid 39 and name HG1#) 2.5 0.7 0.7 ! A.872 at -2.86e+07 assign (resid 35 and name HG1#) (resid 39 and name HB) 3.0 1.2 0.8 ! A.763 at -1.22e+07 assign (resid 35 and name HG2#) (resid 39 and name HG1#) 3.0 1.2 1.3 ! A.774 at -1.23e+07 assign (resid 35 and name HB) (resid 39 and name HN) 3.0 1.2 1.1 ! A.895 at 6.39e+06 assign (resid 35 and name HG1#) (resid 39 and name HN) 4.0 2.2 1.1 ! A.896 at 3.59e+06 assign (resid 35 and name HG2#) (resid 39 and name HN) 4.0 2.2 1.5 ! A.897 at 3.00e+06 assign (resid 35 and name HB) (resid 39 and name HG1#) 3.0 1.2 0.8 ! A.873 at -2.77e+07 assign (resid 35 and name HG1#) (resid 39 and name HG1#) 3.0 1.2 1.3 ! A.874 at -2.68e+07 assign (resid 35 and name HG1#) (resid 39 and name HG2#) 3.0 1.2 1.3 ! A.886 at -2.39e+07 assign (resid 35 and name HG2#) (resid 39 and name HG2#) 3.0 1.2 1.3 ! A.887 at -4.90e+06 assign (resid 35 and name HG1#) (resid 47 and name HE1) 3.0 1.2 0.8 ! A.764 at -4.05e+06 assign (resid 35 and name HG2#) (resid 47 and name HE1) 4.0 2.2 1.5 ! A.775 at -2.20e+06 assign (resid 35 and name HG2#) (resid 79 and name HD2#) 3.0 1.2 1.3 ! A.776 at -2.70e+07 assign (resid 35 and name HG2#) (resid 84 and name HG2#) 4.0 2.2 2.0 ! A.1691 at -2.33e+06 ! T36 assign (resid 36 and name HN) (resid 36 and name HB) 3.0 1.2 0.8 ! A.814 at 1.49e+07 assign (resid 36 and name HN) (resid 36 and name HG2#) 2.5 0.7 0.9 ! A.815 at 3.09e+07 assign (resid 36 and name HA) (resid 36 and name HG2#) 3.0 1.2 0.8 ! A.792 at -7.18e+06 assign (resid 36 and name HN) (resid 37 and name HN) 4.0 2.2 1.0 ! A.816 at 2.97e+06 assign (resid 36 and name HA) (resid 37 and name HN) 3.0 1.2 0.5 ! A.793 at -4.85e+06 assign (resid 36 and name HB) (resid 37 and name HN) 3.0 1.2 1.2 ! A.798 at -4.47e+06 assign (resid 36 and name HG2#) (resid 37 and name HN) 3.0 1.2 1.0 ! A.804 at -1.66e+07 assign (resid 36 and name HN) (resid 38 and name HN) 3.0 1.2 0.5 ! A.847 at 3.23e+06 assign (resid 36 and name HB) (resid 38 and name HN) 4.0 2.2 1.0 ! A.799 at -2.11e+06 assign (resid 36 and name HG2#) (resid 38 and name HN) 3.0 1.2 1.5 ! A.805 at -7.28e+06 assign (resid 36 and name HN) (resid 39 and name HA) 4.0 2.2 1.0 ! A.818 at 3.02e+06 assign (resid 36 and name HN) (resid 39 and name HB) 3.0 1.2 1.4 ! A.819 at 5.77e+06 assign (resid 36 and name HN) (resid 39 and name HN) 3.0 1.2 0.5 ! A.820 at 4.34e+06 assign (resid 36 and name HN) (resid 39 and name HG1#) 2.5 0.7 0.9 ! A.876 at -3.89e+07 assign (resid 36 and name HN) (resid 39 and name HG2#) 3.0 1.2 1.5 ! A.888 at -1.03e+07 assign (resid 36 and name HN) (resid 79 and name HD1#) 3.0 1.2 1.8 ! A.821 at 1.08e+07 assign (resid 36 and name HN) (resid 79 and name HD2#) 3.0 1.2 1.0 ! A.822 at 9.78e+06 ! G37 assign (resid 37 and name HN) (resid 38 and name HN) 3.0 1.2 0.5 ! A.833 at 5.17e+06 assign (resid 37 and name HN) (resid 38 and name HB1) 4.0 2.2 1.0 ! A.832 at 2.01e+06 assign (resid 37 and name HA1) (resid 38 and name HN) 3.0 1.2 0.5 ! A.848 at 1.89e+07 assign (resid 37 and name HA2) (resid 38 and name HN) 3.0 1.2 0.5 ! A.849 at 5.39e+06 assign (resid 37 and name HN) (resid 39 and name HN) 3.0 1.2 1.8 ! A.900 at 3.64e+06 assign (resid 37 and name HN) (resid 39 and name HG1#) 3.0 1.2 1.5 ! A.834 at 8.43e+06 assign (resid 37 and name HA2) (resid 39 and name HN) 3.0 1.2 0.5 ! A.899 at 4.66e+06 assign (resid 37 and name HA2) (resid 78 and name HG2#) 3.0 1.2 1.1 ! A.1503 at -5.35e+06 assign (resid 37 and name HN) (resid 79 and name HD2#) 3.0 1.2 1.3 ! A.836 at 3.22e+06 assign (resid 37 and name HA1) (resid 79 and name HD2#) 3.0 1.2 0.8 ! A.1546 at -4.36e+06 assign (resid 37 and name HA2) (resid 79 and name HD2#) 3.0 1.2 0.8 ! A.1547 at -5.00e+06 assign (resid 37 and name HN) (resid 80 and name HN) 4.0 2.2 1.5 ! A.1567 at 1.67e+06 assign (resid 37 and name HA1) (resid 80 and name HN) 3.0 1.2 0.5 ! A.1565 at 1.12e+07 assign (resid 37 and name HA2) (resid 80 and name HN) 3.0 1.2 0.5 ! A.1566 at 5.11e+06 ! E38 assign (resid 38 and name HN) (resid 38 and name HB1) 3.0 1.2 0.5 ! A.852 at 1.62e+07 assign (resid 38 and name HN) (resid 38 and name HB2) 3.0 1.2 0.9 ! A.853 at 2.68e+07 assign (resid 38 and name HN) (resid 38 and name HG1) 2.5 0.7 0.4 ! A.854 at 2.84e+07 assign (resid 38 and name HG1) (resid 38 and name HA) 3.0 1.2 0.7 ! A.841 at -2.78e+07 assign (resid 38 and name HN) (resid 39 and name HA) 3.0 1.2 1.2 ! A.855 at 4.00e+06 assign (resid 38 and name HN) (resid 39 and name HN) 3.0 1.2 0.5 ! A.857 at 1.53e+07 assign (resid 38 and name HN) (resid 39 and name HG1#) 3.0 1.2 1.0 ! A.856 at 1.53e+07 assign (resid 38 and name HG1) (resid 39 and name HN) 3.0 1.2 0.5 ! A.844 at -5.65e+06 assign (resid 38 and name HA) (resid 39 and name HN) 3.0 1.2 0.5 ! A.901 at 1.07e+07 assign (resid 38 and name HB1) (resid 39 and name HN) 3.0 1.2 1.4 ! A.902 at 1.03e+07 assign (resid 38 and name HB2) (resid 39 and name HN) 3.0 1.2 1.3 ! A.903 at 1.12e+07 assign (resid 38 and name HA) (resid 39 and name HA) 4.0 2.2 1.0 ! A.863 at -3.06e+06 assign (resid 38 and name HG1) (resid 39 and name HG1#) 3.0 1.2 0.8 ! A.878 at -8.51e+06 assign (resid 38 and name HN) (resid 78 and name HB) 3.0 1.2 1.8 ! A.858 at 4.04e+06 assign (resid 38 and name HN) (resid 78 and name HG2#) 3.0 1.2 1.0 ! A.859 at 4.53e+06 assign (resid 38 and name HA) (resid 78 and name HG2#) 3.0 1.2 0.8 ! A.1504 at -1.35e+07 assign (resid 38 and name HB1) (resid 78 and name HG2#) 3.0 1.2 1.2 ! A.1505 at -6.35e+06 assign (resid 38 and name HG1) (resid 78 and name HG2#) 3.0 1.2 1.2 ! A.1506 at -6.08e+06 assign (resid 38 and name HN) (resid 79 and name HD1#) 3.0 1.2 1.0 ! A.860 at 6.25e+06 assign (resid 38 and name HN) (resid 79 and name HD2#) 3.0 1.2 1.0 ! A.861 at 7.59e+06 assign (resid 38 and name HN) (resid 80 and name HN) 4.0 2.2 1.0 ! A.862 at 2.12e+06 assign (resid 38 and name HA) (resid 80 and name HN) 3.0 1.2 1.7 ! A.1568 at 1.12e+07 ! V39 assign (resid 39 and name HN) (resid 39 and name HB) 3.0 1.2 0.5 ! A.907 at 2.34e+07 assign (resid 39 and name HN) (resid 39 and name HG1#) 2.5 0.7 0.9 ! A.908 at 4.83e+07 assign (resid 39 and name HN) (resid 39 and name HG2#) 2.5 0.7 0.9 ! A.909 at 4.83e+07 assign (resid 39 and name HA) (resid 39 and name HG1#) 3.0 1.2 0.8 ! A.864 at -1.42e+07 assign (resid 39 and name HA) (resid 39 and name HG2#) 3.0 1.2 0.8 ! A.865 at -1.42e+07 assign (resid 39 and name HN) (resid 40 and name HN) 3.0 1.2 1.5 ! A.910 at 5.83e+06 assign (resid 39 and name HA) (resid 40 and name HN) 3.0 1.2 0.5 ! A.867 at -6.10e+06 assign (resid 39 and name HG1#) (resid 40 and name HN) 3.0 1.2 1.0 ! A.883 at -1.53e+07 assign (resid 39 and name HG2#) (resid 40 and name HN) 3.0 1.2 1.0 ! A.892 at -1.41e+07 assign (resid 39 and name HB) (resid 40 and name HN) 3.0 1.2 0.5 ! A.917 at 3.22e+06 assign (resid 39 and name HG1#) (resid 44 and name HG2#) 3.0 1.2 1.3 ! A.884 at -2.68e+07 assign (resid 39 and name HG2#) (resid 44 and name HB) 3.0 1.2 1.1 ! A.893 at -8.53e+06 assign (resid 39 and name HG2#) (resid 44 and name HG2#) 3.0 1.2 1.3 ! A.894 at -2.39e+07 assign (resid 39 and name HG2#) (resid 44 and name HN) 3.0 1.2 1.0 ! A.990 at 1.00e+07 assign (resid 39 and name HG1#) (resid 47 and name HE1) 3.0 1.2 0.8 ! A.885 at -7.51e+06 assign (resid 39 and name HN) (resid 78 and name HB) 4.0 2.2 1.0 ! A.911 at 2.72e+06 assign (resid 39 and name HA) (resid 78 and name HG2#) 3.0 1.2 0.8 ! A.1507 at -8.32e+06 assign (resid 39 and name HN) (resid 78 and name HG2#) 3.0 1.2 1.0 ! A.1508 at -9.39e+06 assign (resid 39 and name HN) (resid 79 and name HN) 4.0 2.2 1.0 ! A.914 at 2.84e+06 assign (resid 39 and name HN) (resid 79 and name HD1#) 3.0 1.2 1.0 ! A.912 at 1.26e+07 assign (resid 39 and name HN) (resid 79 and name HD2#) 3.0 1.2 1.0 ! A.913 at 1.26e+07 assign (resid 39 and name HA) (resid 79 and name HD1#) 4.0 2.2 1.5 ! A.868 at -2.91e+06 assign (resid 39 and name HB) (resid 79 and name HD2#) 3.0 1.2 1.6 ! A.1548 at -9.40e+06 assign (resid 39 and name HG1#) (resid 79 and name HD2#) 3.0 1.2 1.3 ! A.1549 at -1.13e+07 assign (resid 39 and name HG2#) (resid 79 and name HD2#) 3.0 1.2 1.3 ! A.1550 at -1.15e+07 assign (resid 39 and name HN) (resid 80 and name HN) 4.0 2.2 1.0 ! A.915 at 2.19e+06 ! H40 assign (resid 40 and name HN) (resid 40 and name HB1) 4.0 2.2 1.0 ! A.921 at 1.59e+06 assign (resid 40 and name HB1) (resid 41 and name HN) 4.0 2.2 1.0 ! A.955 at 2.92e+06 assign (resid 40 and name HB1) (resid 42 and name HN) 4.0 2.2 1.0 ! A.961 at 2.30e+06 assign (resid 40 and name HN) (resid 43 and name HA1) 3.0 1.2 0.5 ! A.922 at 6.37e+06 assign (resid 40 and name HA) (resid 78 and name HG2#) 3.0 1.2 0.8 ! A.1509 at -7.04e+06 assign (resid 40 and name HN) (resid 78 and name HG2#) 4.0 2.2 1.5 ! A.1511 at -2.95e+06 assign (resid 40 and name HB1) (resid 78 and name HG2#) 3.0 1.2 0.8 ! A.1510 at -5.07e+06 ! I41 assign (resid 41 and name HN) (resid 41 and name HB) 4.0 2.2 1.0 ! A.956 at 2.32e+06 assign (resid 41 and name HN) (resid 41 and name HD1#) 3.0 1.2 1.0 ! A.957 at 3.73e+06 assign (resid 41 and name HN) (resid 41 and name HG11) 4.0 2.2 1.0 ! A.958 at 2.02e+06 assign (resid 41 and name HN) (resid 41 and name HG2#) 3.0 1.2 1.0 ! A.959 at 3.71e+06 assign (resid 41 and name HA) (resid 41 and name HD1#) 3.0 1.2 0.8 ! A.923 at -4.50e+06 assign (resid 41 and name HA) (resid 41 and name HG11) 4.0 2.2 1.0 ! A.924 at -2.02e+06 assign (resid 41 and name HA) (resid 41 and name HG12) 4.0 2.2 1.0 ! A.925 at -2.02e+06 assign (resid 41 and name HA) (resid 41 and name HG2#) 3.0 1.2 0.8 ! A.926 at -7.77e+06 assign (resid 41 and name HD1#) (resid 41 and name HB) 3.0 1.2 0.8 ! A.930 at -1.41e+07 assign (resid 41 and name HG2#) (resid 42 and name HN) 3.0 1.2 1.0 ! A.945 at -4.07e+06 assign (resid 41 and name HA) (resid 42 and name HN) 4.0 2.2 1.0 ! A.962 at 2.69e+06 assign (resid 41 and name HN) (resid 42 and name HN) 4.0 2.2 1.0 ! A.965 at 1.59e+06 assign (resid 41 and name HD1#) (resid 42 and name HN) 3.0 1.2 1.0 ! A.963 at 3.37e+06 assign (resid 41 and name HD1#) (resid 43 and name HN) 4.0 2.2 1.6 ! A.933 at -1.11e+07 assign (resid 41 and name HG2#) (resid 43 and name HN) 3.0 1.2 1.3 ! A.946 at -1.17e+07 assign (resid 41 and name HA) (resid 44 and name HN) 3.0 1.2 0.5 ! A.991 at 7.74e+06 assign (resid 41 and name HG2#) (resid 44 and name HN) 3.0 1.2 1.0 ! A.947 at -7.31e+06 assign (resid 41 and name HA) (resid 44 and name HG2#) 3.0 1.2 0.8 ! A.983 at -6.58e+06 assign (resid 41 and name HG2#) (resid 45 and name HG1) 3.0 1.2 0.8 ! A.948 at -9.92e+06 assign (resid 41 and name HG11) (resid 45 and name HE#) 4.0 2.2 2.6 ! A.1001 at -5.61e+07 assign (resid 41 and name HD1#) (resid 72 and name HG) 3.0 1.2 1.3 ! A.936 at -1.67e+07 assign (resid 41 and name HD1#) (resid 72 and name HD1#) 2.5 0.7 1.2 ! A.1403 at -3.65e+07 assign (resid 41 and name HD1#) (resid 72 and name HD2#) 3.0 1.2 1.3 ! A.935 at -5.72e+06 assign (resid 41 and name HG2#) (resid 72 and name HG) 3.0 1.2 1.7 ! A.951 at -1.61e+07 assign (resid 41 and name HG2#) (resid 72 and name HN) 4.0 2.2 1.5 ! A.952 at -3.11e+06 assign (resid 41 and name HG2#) (resid 72 and name HD1#) 2.5 0.7 1.2 ! A.949 at -2.84e+07 assign (resid 41 and name HG2#) (resid 72 and name HD2#) 3.0 1.2 1.3 ! A.950 at -2.72e+07 assign (resid 41 and name HD1#) (resid 73 and name HN) 3.0 1.2 1.0 ! A.937 at -6.56e+06 assign (resid 41 and name HG2#) (resid 73 and name HN) 3.0 1.2 1.3 ! A.953 at -1.24e+07 assign (resid 41 and name HG2#) (resid 74 and name HN) 3.0 1.2 1.0 ! A.954 at -7.71e+06 assign (resid 41 and name HN) (resid 75 and name HA) 4.0 2.2 1.0 ! A.960 at 1.81e+06 assign (resid 41 and name HD1#) (resid 75 and name HA) 3.0 1.2 0.8 ! A.938 at -2.01e+07 assign (resid 41 and name HG12) (resid 84 and name HD1#) 3.0 1.2 0.8 ! A.1676 at -5.28e+06 ! G42 assign (resid 42 and name HN) (resid 43 and name HA1) 3.0 1.2 1.8 ! A.968 at 5.43e+06 assign (resid 42 and name HN) (resid 44 and name HB) 4.0 2.2 1.3 ! A.969 at 2.55e+06 !! relaxed assign (resid 42 and name HN) (resid 44 and name HN) 4.0 2.2 1.0 ! A.970 at 1.90e+06 assign (resid 42 and name HN) (resid 45 and name HE#) 3.0 1.2 1.0 ! A.1003 at -9.07e+06 assign (resid 42 and name HA2) (resid 45 and name HE#) 2.5 0.7 0.7 ! A.1002 at -3.85e+07 assign (resid 42 and name HN) (resid 75 and name HA) 3.0 1.2 0.5 ! A.971 at 5.43e+06 assign (resid 42 and name HN) (resid 75 and name HB) 4.0 2.2 1.0 ! A.972 at 1.81e+06 assign (resid 42 and name HN) (resid 75 and name HG2#) 3.0 1.2 1.0 ! A.973 at 3.21e+06 assign (resid 42 and name HA1) (resid 75 and name HG2#) 3.0 1.2 0.8 ! A.1487 at -5.81e+06 assign (resid 42 and name HA2) (resid 75 and name HG2#) 3.0 1.2 0.8 ! A.1488 at -6.57e+06 ! G43 assign (resid 43 and name HN) (resid 44 and name HN) 4.0 2.2 1.0 ! A.994 at 1.63e+06 assign (resid 43 and name HA1) (resid 44 and name HN) 3.0 1.2 0.5 ! A.992 at 5.99e+06 assign (resid 43 and name HA2) (resid 44 and name HN) 3.0 1.2 0.5 ! A.993 at 7.74e+06 assign (resid 43 and name HN) (resid 44 and name HG2#) 3.0 1.2 1.5 ! A.984 at -4.12e+06 ! V44 assign (resid 44 and name HN) (resid 44 and name HB) 3.0 1.2 0.5 ! A.996 at 9.28e+06 assign (resid 44 and name HN) (resid 44 and name HG1#) 3.0 1.2 1.0 ! A.997 at 1.78e+07 assign (resid 44 and name HN) (resid 44 and name HG2#) 3.0 1.2 1.0 ! A.998 at 1.06e+07 assign (resid 44 and name HA) (resid 44 and name HG1#) 3.0 1.2 0.8 ! A.976 at -6.11e+06 assign (resid 44 and name HA) (resid 44 and name HG2#) 3.0 1.2 0.8 ! A.977 at -7.27e+06 assign (resid 44 and name HN) (resid 46 and name HN) 3.0 1.2 0.8 ! A.1000 at 4.98e+06 assign (resid 44 and name HN) (resid 46 and name HB2) 4.0 2.2 1.3 ! A.999 at 4.32e+06 !! relaxed assign (resid 44 and name HG1#) (resid 46 and name HN) 4.0 2.2 1.5 ! A.1010 at 2.00e+06 assign (resid 44 and name HA) (resid 47 and name HB2) 3.0 1.2 0.3 ! A.979 at -4.54e+06 assign (resid 44 and name HA) (resid 47 and name HG1) 3.0 1.2 0.3 ! A.980 at -3.96e+06 assign (resid 44 and name HG2#) (resid 48 and name HD2#) 4.0 2.2 1.3 ! A.989 at -6.86e+06 ! M45 assign (resid 45 and name HE#) (resid 45 and name HN) 3.0 1.2 1.0 ! A.1005 at -6.83e+06 assign (resid 45 and name HE#) (resid 45 and name HG1) 2.5 0.7 0.7 ! A.1004 at -2.94e+07 assign (resid 45 and name HE#) (resid 46 and name HN) 3.0 1.2 1.4 ! A.1006 at -3.48e+07 assign (resid 45 and name HB1) (resid 46 and name HN) 4.0 2.2 1.0 ! A.1011 at 1.88e+06 assign (resid 45 and name HE#) (resid 62 and name HB#) 3.0 1.2 1.3 ! A.1120 at -6.31e+06 assign (resid 45 and name HE#) (resid 63 and name HN) 4.0 2.2 1.1 ! A.1008 at -1.53e+07 assign (resid 45 and name HE#) (resid 63 and name HD2#) 3.0 1.2 1.1 ! A.1007 at -8.76e+07 assign (resid 45 and name HE#) (resid 75 and name HG2#) 2.5 0.7 1.2 ! A.1009 at -7.68e+07 ! L46 assign (resid 46 and name HN) (resid 46 and name HD1#) 4.0 2.2 1.5 ! A.1012 at 1.80e+06 assign (resid 46 and name HN) (resid 46 and name HD2#) 4.0 2.2 1.5 ! A.1013 at 2.00e+06 assign (resid 46 and name HD2#) (resid 50 and name HG1) 3.0 1.2 0.8 ! A.1057 at -3.74e+06 assign (resid 46 and name HA) (resid 50 and name HG2) 3.0 1.2 0.8 ! A.1056 at -5.22e+06 assign (resid 46 and name HD2#) (resid 50 and name HG2) 3.0 1.2 0.8 ! A.1058 at -7.63e+06 ! K47 assign (resid 47 and name HN) (resid 48 and name HN) 3.0 1.2 0.5 ! A.1045 at 4.59e+06 assign (resid 47 and name HG1) (resid 48 and name HN) 3.0 1.2 0.9 ! A.1044 at 4.19e+06 assign (resid 47 and name HA) (resid 50 and name HG2) 3.0 1.2 0.3 ! A.1059 at -5.22e+06 ! L48 assign (resid 48 and name HN) (resid 48 and name HB1) 3.0 1.2 0.5 ! A.1047 at 5.28e+06 assign (resid 48 and name HN) (resid 48 and name HD2#) 4.0 2.2 1.5 ! A.1048 at 1.83e+06 assign (resid 48 and name HA) (resid 48 and name HD1#) 3.0 1.2 0.8 ! A.1017 at -3.66e+06 assign (resid 48 and name HD1#) (resid 48 and name HN) 3.0 1.2 1.0 ! A.1030 at -5.06e+06 assign (resid 48 and name HN) (resid 49 and name HN) 3.0 1.2 0.5 ! A.1049 at 3.42e+06 assign (resid 48 and name HD1#) (resid 49 and name HN) 3.0 1.2 1.4 ! A.1031 at -5.13e+06 assign (resid 48 and name HD2#) (resid 49 and name HN) 4.0 2.2 1.5 ! A.1040 at -2.16e+06 assign (resid 48 and name HD2#) (resid 49 and name HG2#) 3.0 1.2 1.3 ! A.1039 at -1.39e+07 assign (resid 48 and name HA) (resid 50 and name HN) 4.0 2.2 1.0 ! A.1019 at -2.58e+06 assign (resid 48 and name HA) (resid 51 and name HN) 4.0 2.2 1.0 ! A.1020 at -2.63e+06 assign (resid 48 and name HA) (resid 51 and name HG1) 3.0 1.2 0.6 ! A.1077 at -4.71e+06 assign (resid 48 and name HA) (resid 52 and name HN) 4.0 2.2 1.0 ! A.1021 at -2.63e+06 assign (resid 48 and name HD1#) (resid 92 and name HB1) 3.0 1.2 1.2 ! A.1032 at -3.57e+06 assign (resid 48 and name HD2#) (resid 92 and name HA) 4.0 2.2 1.5 ! A.1041 at -1.79e+06 assign (resid 48 and name HD2#) (resid 92 and name HB1) 4.0 2.2 1.5 ! A.1042 at -1.55e+06 assign (resid 48 and name HD2#) (resid 92 and name HB2) 4.0 2.2 1.5 ! A.1043 at -1.54e+06 ! V49 assign (resid 49 and name HG2#) (resid 49 and name HA) 3.0 1.2 0.8 ! A.1050 at -1.65e+07 assign (resid 49 and name HG2#) (resid 50 and name HN) 3.0 1.2 1.0 ! A.1051 at -1.05e+07 assign (resid 49 and name HB) (resid 51 and name HN) 3.0 1.2 1.9 ! A.1087 at 5.32e+06 assign (resid 49 and name HG2#) (resid 51 and name HN) 4.0 2.2 1.5 ! A.1088 at 2.76e+06 ! E50 assign (resid 50 and name HA) (resid 50 and name HG1) 4.0 2.2 1.0 ! A.1053 at -2.71e+06 assign (resid 50 and name HG2) (resid 50 and name HA) 3.0 1.2 0.3 ! A.1061 at -1.48e+07 assign (resid 50 and name HB1) (resid 51 and name HN) 3.0 1.2 0.5 ! A.1055 at -7.81e+06 assign (resid 50 and name HG1) (resid 51 and name HN) 4.0 2.2 1.0 ! A.1065 at -2.22e+06 assign (resid 50 and name HG2) (resid 51 and name HN) 3.0 1.2 1.5 ! A.1066 at -6.81e+06 assign (resid 50 and name HA) (resid 51 and name HN) 3.0 1.2 0.5 ! A.1089 at 3.61e+06 assign (resid 50 and name HB2) (resid 51 and name HN) 3.0 1.2 0.5 ! A.1090 at 5.32e+06 assign (resid 50 and name HB1) (resid 51 and name HG1) 3.0 1.2 1.2 ! A.1078 at -8.59e+06 ! K51 assign (resid 51 and name HN) (resid 51 and name HB1) 3.0 1.2 0.5 ! A.1092 at 8.89e+06 assign (resid 51 and name HN) (resid 51 and name HD1) 3.0 1.2 1.4 ! A.1093 at 4.52e+06 assign (resid 51 and name HN) (resid 51 and name HE1) 4.0 2.2 1.0 ! A.1094 at 2.55e+06 assign (resid 51 and name HN) (resid 51 and name HG1) 3.0 1.2 0.5 ! A.1095 at 4.70e+06 assign (resid 51 and name HD1) (resid 51 and name HA) 3.0 1.2 1.5 ! A.1072 at -2.26e+07 assign (resid 51 and name HD2) (resid 51 and name HA) 3.0 1.2 1.7 ! A.1073 at -3.47e+06 assign (resid 51 and name HD2) (resid 51 and name HN) 4.0 2.2 1.0 ! A.1075 at -2.44e+06 assign (resid 51 and name HG1) (resid 51 and name HA) 2.5 0.7 0.6 ! A.1079 at -3.18e+07 assign (resid 51 and name HG1) (resid 51 and name HE1) 2.5 0.7 0.2 ! A.1083 at -4.00e+07 assign (resid 51 and name HG2) (resid 51 and name HA) 3.0 1.2 0.3 ! A.1080 at -5.26e+06 assign (resid 51 and name HG2) (resid 51 and name HE1) 3.0 1.2 0.7 ! A.1084 at -6.59e+06 ! L52 ! D53 assign (resid 53 and name HB1) (resid 53 and name HN) 3.0 1.2 0.8 ! A.1099 at -4.10e+06 assign (resid 53 and name HA) (resid 54 and name HN) 2.5 0.7 0.4 ! A.1104 at 3.16e+07 assign (resid 53 and name HB2) (resid 54 and name HN) 3.0 1.2 1.4 ! A.1105 at 1.04e+07 assign (resid 53 and name HA) (resid 54 and name HG1#) 3.0 1.2 0.8 ! A.1100 at -1.67e+07 ! V54 assign (resid 54 and name HN) (resid 54 and name HB) 3.0 1.2 0.5 ! A.1106 at 8.52e+06 assign (resid 54 and name HG1#) (resid 54 and name HA) 3.0 1.2 0.8 ! A.1101 at -2.39e+07 assign (resid 54 and name HG1#) (resid 54 and name HN) 3.0 1.2 1.0 ! A.1102 at -1.54e+07 assign (resid 54 and name HG1#) (resid 56 and name HN) 3.0 1.2 1.0 ! A.1103 at -8.48e+06 ! K55 assign (resid 55 and name HD1) (resid 55 and name HA) 3.0 1.2 0.8 ! A.1107 at -1.62e+07 assign (resid 55 and name HG1) (resid 55 and name HA) 3.0 1.2 0.3 ! A.1108 at -1.88e+07 assign (resid 55 and name HG1) (resid 55 and name HE1) 2.5 0.7 0.2 ! A.1110 at -4.43e+07 assign (resid 55 and name HG2) (resid 55 and name HA) 3.0 1.2 0.3 ! A.1109 at -1.63e+07 ! K56 assign (resid 56 and name HA) (resid 57 and name HN) 3.0 1.2 0.5 ! A.1107 at 1.38e+07 assign (resid 56 and name HN) (resid 57 and name HN) 3.0 1.2 1.6 ! A.1110 at 5.52e+06 assign (resid 56 and name HB1) (resid 57 and name HN) 4.0 2.2 1.0 ! A.1108 at 1.40e+06 assign (resid 56 and name HB2) (resid 57 and name HN) 3.0 1.2 0.9 ! A.1109 at 5.96e+06 ! D57 assign (resid 57 and name HN) (resid 57 and name HB1) 3.0 1.2 0.5 ! A.1111 at 9.16e+06 assign (resid 57 and name HN) (resid 57 and name HB2) 3.0 1.2 0.5 ! A.1112 at 8.38e+06 ! W65 (added) ! S59 assign (resid 59 and name HN) (resid 59 and name HB1) 3.0 1.2 0.5 ! A.1113 at 3.51e+06 assign (resid 59 and name HN) (resid 59 and name HB2) 3.0 1.2 0.5 ! A.1114 at 3.51e+06 ! D60 assign (resid 60 and name HN) (resid 60 and name HB1) 4.0 2.2 1.0 ! A.1115 at 2.24e+06 ! H61 assign (resid 61 and name HN) (resid 61 and name HB1) 3.0 1.2 0.5 ! A.1117 at 3.50e+06 assign (resid 61 and name HN) (resid 61 and name HB2) 3.0 1.2 0.5 ! A.1118 at 7.17e+06 assign (resid 61 and name HA) (resid 62 and name HN) 4.0 2.2 1.0 ! A.1125 at 2.98e+06 assign (resid 61 and name HN) (resid 62 and name HN) 4.0 2.2 1.0 ! A.1128 at 2.31e+06 assign (resid 61 and name HB1) (resid 62 and name HN) 4.0 2.2 1.0 ! A.1126 at 1.30e+06 assign (resid 61 and name HB2) (resid 62 and name HN) 4.0 2.2 1.0 ! A.1127 at 2.42e+06 assign (resid 61 and name HA) (resid 62 and name HB#) 3.0 1.2 0.8 ! A.1121 at -4.93e+06 assign (resid 61 and name HN) (resid 94 and name HA) 3.0 1.2 0.9 ! A.1119 at 4.52e+06 ! A62 assign (resid 62 and name HN) (resid 62 and name HB#) 3.0 1.2 1.0 ! A.1130 at 7.15e+06 assign (resid 62 and name HN) (resid 63 and name HD1#) 4.0 2.2 1.5 ! A.1131 at 2.51e+06 assign (resid 62 and name HB#) (resid 63 and name HN) 3.0 1.2 1.0 ! A.1124 at -1.20e+07 assign (resid 62 and name HN) (resid 92 and name HA) 4.0 2.2 1.0 ! A.1132 at 1.39e+06 assign (resid 62 and name HN) (resid 94 and name HA) 3.0 1.2 1.0 ! A.1133 at 4.30e+06 ! L63 assign (resid 63 and name HN) (resid 63 and name HG) 3.0 1.2 0.8 ! A.1140 at 6.59e+06 assign (resid 63 and name HN) (resid 63 and name HD1#) 3.0 1.2 1.0 ! A.1139 at 8.37e+06 assign (resid 63 and name HD1#) (resid 63 and name HA) 3.0 1.2 0.8 ! A.1134 at -2.00e+07 assign (resid 63 and name HD1#) (resid 63 and name HB2) 3.0 1.2 0.8 ! A.1135 at -1.91e+07 assign (resid 63 and name HN) (resid 64 and name HN) 4.0 2.2 1.0 ! A.1141 at 2.79e+06 assign (resid 63 and name HD1#) (resid 64 and name HN) 3.0 1.2 1.0 ! A.1136 at -8.10e+06 assign (resid 63 and name HA) (resid 64 and name HN) 3.0 1.2 0.5 ! A.1144 at 4.45e+06 assign (resid 63 and name HG) (resid 64 and name HN) 4.0 2.2 1.0 ! A.1147 at 2.68e+06 assign (resid 63 and name HB1) (resid 64 and name HN) 4.0 2.2 1.0 ! A.1145 at 2.78e+06 assign (resid 63 and name HB2) (resid 72 and name HN) 4.0 2.2 1.3 ! A.1432 at 3.92e+06 assign (resid 63 and name HA) (resid 72 and name HD1#) 3.0 1.2 0.8 ! A.1404 at -4.25e+06 assign (resid 63 and name HG) (resid 72 and name HD1#) 3.0 1.2 0.8 ! A.1407 at -1.34e+07 assign (resid 63 and name HB1) (resid 72 and name HD1#) 3.0 1.2 0.8 ! A.1405 at -1.20e+07 assign (resid 63 and name HB2) (resid 72 and name HD1#) 3.0 1.2 0.8 ! A.1406 at -2.40e+07 assign (resid 63 and name HB2) (resid 72 and name HD2#) 3.0 1.2 1.5 ! A.1419 at -4.75e+07 assign (resid 63 and name HD1#) (resid 91 and name HN) 3.0 1.2 1.0 ! A.1881 at 1.03e+07 assign (resid 63 and name HA) (resid 93 and name HN) 3.0 1.2 0.5 ! A.1933 at 6.15e+06 ! W64 assign (resid 64 and name HN) (resid 64 and name HB1) 3.0 1.2 0.5 ! A.1148 at 3.45e+06 assign (resid 64 and name HN) (resid 64 and name HB2) 3.0 1.2 1.0 ! A.1149 at 3.79e+06 assign (resid 64 and name HE1) (resid 64 and name HB2) 4.0 2.2 1.3 ! A.1158 at 5.83e+06 assign (resid 64 and name HN) (resid 65 and name HN) 3.0 1.2 1.5 ! A.1164 at 3.76e+06 !assign (resid 64 and name HN) (resid 65 and name HE1) 4.0 2.2 1.0 ! A.1150 at 1.39e+06 assign (resid 64 and name HA) (resid 65 and name HB2) 4.0 2.2 1.0 ! A.1142 at -2.65e+06 assign (resid 64 and name HA) (resid 65 and name HN) 3.0 1.2 0.5 ! A.1161 at 6.12e+06 assign (resid 64 and name HB1) (resid 65 and name HN) 4.0 2.2 1.0 ! A.1162 at 2.76e+06 assign (resid 64 and name HB2) (resid 65 and name HN) 3.0 1.2 0.5 ! A.1163 at 1.09e+07 assign (resid 64 and name HE1) (resid 66 and name HA) 3.0 1.2 0.3 ! A.1159 at 3.62e+06 assign (resid 64 and name HE1) (resid 66 and name HN) 4.0 2.2 1.0 ! A.1160 at 1.62e+06 assign (resid 64 and name HE1) (resid 66 and name HG1) 3.0 1.2 1.3 ! A.1200 at -5.14e+06 assign (resid 64 and name HE1) (resid 66 and name HG2) 3.0 1.2 0.3 ! A.1201 at -5.56e+06 assign (resid 64 and name HA) (resid 70 and name HN) 3.0 1.2 1.3 ! A.1356 at 4.44e+06 assign (resid 64 and name HB1) (resid 70 and name HN) 4.0 2.2 1.8 ! A.1357 at 2.14e+06 assign (resid 64 and name HB2) (resid 70 and name HN) 3.0 1.2 1.5 ! A.1358 at 8.83e+06 assign (resid 64 and name HA) (resid 70 and name HB) 4.0 2.2 1.8 ! A.1327 at -2.95e+06 assign (resid 64 and name HB2) (resid 70 and name HB) 4.0 2.2 2.3 ! A.1328 at -5.58e+06 assign (resid 64 and name HA) (resid 70 and name HG2#) 3.0 1.2 0.8 ! A.1340 at -6.98e+06 assign (resid 64 and name HB2) (resid 70 and name HG2#) 3.0 1.2 1.2 ! A.1341 at -1.74e+07 assign (resid 64 and name HN) (resid 71 and name HA) 4.0 2.2 1.0 ! A.1152 at 2.60e+06 assign (resid 64 and name HB1) (resid 71 and name HA) 3.0 1.2 0.8 ! A.1143 at -1.30e+07 assign (resid 64 and name HA) (resid 71 and name HN) 3.0 1.2 1.5 ! A.1379 at 4.68e+06 assign (resid 64 and name HN) (resid 72 and name HD1#) 4.0 2.2 1.5 ! A.1153 at 2.36e+06 assign (resid 64 and name HA) (resid 72 and name HN) 4.0 2.2 1.0 ! A.1433 at 3.01e+06 assign (resid 64 and name HN) (resid 90 and name HA) 4.0 2.2 1.0 ! A.1154 at 1.67e+06 assign (resid 64 and name HN) (resid 91 and name HN) 3.0 1.2 0.5 ! A.1155 at 3.69e+06 assign (resid 64 and name HE1) (resid 91 and name HE21) 4.0 2.2 1.0 ! A.1898 at 2.03e+06 assign (resid 64 and name HN) (resid 91 and name HE22) 4.0 2.2 1.6 ! A.1899 at 2.17e+06 assign (resid 64 and name HN) (resid 92 and name HA) 3.0 1.2 1.2 ! A.1156 at 4.23e+06 assign (resid 64 and name HN) (resid 93 and name HG2#) 3.0 1.2 1.0 ! A.1157 at 3.22e+06 assign (resid 64 and name HB1) (resid 93 and name HG2#) 3.0 1.2 0.8 ! A.1930 at -1.07e+07 ! W65 assign (resid 65 and name HN) (resid 65 and name HB1) 3.0 1.2 0.5 ! A.1166 at 9.70e+06 assign (resid 65 and name HN) (resid 65 and name HB2) 3.0 1.2 0.5 ! A.1167 at 9.70e+06 assign (resid 65 and name HE1) (resid 65 and name HA) 3.0 1.2 1.7 ! A.1180 at 1.04e+07 assign (resid 65 and name HE1) (resid 65 and name HB1) 4.0 2.2 1.2 ! A.1181 at 3.60e+06 assign (resid 65 and name HN) (resid 66 and name HN) 4.0 2.2 1.0 ! A.1168 at 2.42e+06 assign (resid 65 and name HE1) (resid 66 and name HN) 4.0 2.2 1.5 ! A.1182 at 3.46e+06 assign (resid 65 and name HA) (resid 66 and name HN) 4.0 2.2 1.0 ! A.1213 at 2.30e+06 assign (resid 65 and name HA) (resid 66 and name HG1) 4.0 2.2 1.0 ! A.1202 at -2.43e+06 assign (resid 65 and name HA) (resid 66 and name HG2) 4.0 2.2 1.0 ! A.1203 at -2.20e+06 assign (resid 65 and name HN) (resid 67 and name HN) 4.0 2.2 1.3 ! A.1169 at 2.72e+06 assign (resid 65 and name HE1) (resid 67 and name HA) 3.0 1.2 1.7 ! A.1183 at 4.07e+06 assign (resid 65 and name HE1) (resid 67 and name HN) 3.0 1.2 0.5 ! A.1190 at 1.12e+07 assign (resid 65 and name HE1) (resid 67 and name HB1) 3.0 1.2 0.6 ! A.1184 at 1.58e+07 assign (resid 65 and name HE1) (resid 67 and name HB2) 3.0 1.2 0.3 ! A.1185 at 1.12e+07 assign (resid 65 and name HE1) (resid 67 and name HD1) 3.0 1.2 1.1 ! A.1186 at 9.47e+06 assign (resid 65 and name HE1) (resid 67 and name HE1) 3.0 1.2 0.3 ! A.1187 at 3.73e+06 assign (resid 65 and name HE1) (resid 67 and name HG1) 3.0 1.2 0.3 ! A.1188 at 7.09e+06 assign (resid 65 and name HE1) (resid 67 and name HG2) 3.0 1.2 0.3 ! A.1189 at 2.09e+07 assign (resid 65 and name HA) (resid 67 and name HN) 3.0 1.2 0.5 ! A.1240 at 6.40e+06 assign (resid 65 and name HE1) (resid 68 and name HE1) 3.0 1.2 1.0 ! A.1191 at 3.80e+06 assign (resid 65 and name HE1) (resid 68 and name HG1) 4.0 2.2 1.2 ! A.1192 at 6.61e+06 assign (resid 65 and name HA) (resid 68 and name HN) 3.0 1.2 1.4 ! A.1295 at 2.04e+07 assign (resid 65 and name HE1) (resid 68 and name HN) 4.0 2.2 1.0 ! A.1296 at 3.08e+06 assign (resid 65 and name HA) (resid 68 and name HA) 4.0 2.2 3.0 ! A.1257 at -3.35e+06 assign (resid 65 and name HA) (resid 68 and name HG1) 4.0 2.2 1.3 ! A.1283 at -3.04e+06 assign (resid 65 and name HA) (resid 68 and name HG2) 3.0 1.2 1.6 ! A.1284 at -4.85e+06 assign (resid 65 and name HN) (resid 69 and name HN) 4.0 2.2 1.0 ! A.1170 at 3.07e+06 assign (resid 65 and name HA) (resid 69 and name HN) 3.0 1.2 1.8 ! A.1315 at 9.24e+06 assign (resid 65 and name HN) (resid 70 and name HN) 3.0 1.2 0.5 ! A.1172 at 5.78e+06 assign (resid 65 and name HN) (resid 70 and name HG2#) 3.0 1.2 1.0 ! A.1171 at 7.93e+06 assign (resid 65 and name HA) (resid 70 and name HN) 3.0 1.2 1.7 ! A.1359 at 9.00e+06 assign (resid 65 and name HB1) (resid 70 and name HN) 3.0 1.2 0.5 ! A.1360 at 1.57e+07 assign (resid 65 and name HB2) (resid 70 and name HN) 3.0 1.2 1.4 ! A.1361 at 1.57e+07 assign (resid 65 and name HN) (resid 70 and name HB) 3.0 1.2 1.2 ! A.1330 at -3.45e+06 assign (resid 65 and name HB1) (resid 70 and name HB) 3.0 1.2 0.8 ! A.1329 at -7.37e+06 assign (resid 65 and name HB1) (resid 70 and name HG2#) 2.5 0.7 0.7 ! A.1342 at -2.82e+07 assign (resid 65 and name HB2) (resid 70 and name HG2#) 2.5 0.7 0.7 ! A.1343 at -2.88e+07 assign (resid 65 and name HN) (resid 71 and name HA) 3.0 1.2 1.0 ! A.1173 at 1.21e+07 assign (resid 65 and name HN) (resid 71 and name HN) 4.0 2.2 1.0 ! A.1174 at 2.42e+06 assign (resid 65 and name HN) (resid 72 and name HN) 4.0 2.2 1.0 ! A.1178 at 2.64e+06 assign (resid 65 and name HN) (resid 72 and name HB2) 4.0 2.2 1.3 ! A.1175 at 4.41e+06 assign (resid 65 and name HN) (resid 72 and name HD1#) 3.0 1.2 1.0 ! A.1176 at 7.50e+06 assign (resid 65 and name HN) (resid 72 and name HD2#) 3.0 1.2 1.0 ! A.1177 at 5.26e+06 assign (resid 65 and name HB2) (resid 72 and name HN) 4.0 2.2 1.0 ! A.1434 at 2.36e+06 assign (resid 65 and name HB2) (resid 72 and name HD1#) 3.0 1.2 0.8 ! A.1408 at -8.08e+06 assign (resid 65 and name HB2) (resid 72 and name HD2#) 3.0 1.2 0.8 ! A.1420 at -1.24e+07 assign (resid 65 and name HE1) (resid 84 and name HG2#) 3.0 1.2 1.8 ! A.1193 at 6.48e+06 assign (resid 65 and name HE1) (resid 88 and name HA) 3.0 1.2 0.3 ! A.1194 at 7.24e+06 assign (resid 65 and name HE1) (resid 88 and name HB#) 3.0 1.2 0.8 ! A.1195 at 1.59e+07 assign (resid 65 and name HE1) (resid 89 and name HN) 3.0 1.2 1.2 ! A.1196 at 5.22e+06 assign (resid 65 and name HN) (resid 90 and name HD2#) 3.0 1.2 1.5 ! A.1179 at 7.50e+06 assign (resid 65 and name HE1) (resid 90 and name HD2#) 3.0 1.2 0.8 ! A.1197 at 7.25e+06 assign (resid 65 and name HA) (resid 90 and name HD2#) 3.0 1.2 0.8 ! A.1830 at -6.70e+06 assign (resid 65 and name HB2) (resid 90 and name HD2#) 3.0 1.2 0.8 ! A.1831 at -3.65e+06 ! E66 assign (resid 66 and name HN) (resid 66 and name HB1) 3.0 1.2 0.5 ! A.1214 at 3.76e+06 assign (resid 66 and name HN) (resid 66 and name HG1) 3.0 1.2 0.5 ! A.1215 at 3.76e+06 assign (resid 66 and name HN) (resid 66 and name HG2) 3.0 1.2 0.5 ! A.1216 at 3.76e+06 assign (resid 66 and name HA) (resid 66 and name HG2) 4.0 2.2 1.0 ! A.1199 at -1.88e+06 assign (resid 66 and name HG1) (resid 66 and name HA) 3.0 1.2 0.7 ! A.1204 at -6.52e+06 assign (resid 66 and name HG1) (resid 67 and name HA) 3.0 1.2 0.6 ! A.1208 at -3.39e+06 assign (resid 66 and name HG1) (resid 67 and name HN) 4.0 2.2 1.0 ! A.1210 at -2.93e+06 assign (resid 66 and name HG2) (resid 67 and name HA) 4.0 2.2 1.0 ! A.1209 at -1.96e+06 assign (resid 66 and name HG2) (resid 67 and name HN) 3.0 1.2 0.5 ! A.1211 at -5.10e+06 assign (resid 66 and name HA) (resid 67 and name HN) 3.0 1.2 0.5 ! A.1242 at 4.49e+06 assign (resid 66 and name HN) (resid 67 and name HN) 3.0 1.2 0.5 ! A.1246 at 3.48e+06 assign (resid 66 and name HB1) (resid 67 and name HN) 3.0 1.2 1.2 ! A.1243 at 1.11e+07 assign (resid 66 and name HB2) (resid 67 and name HN) 3.0 1.2 1.0 ! A.1244 at 1.02e+07 assign (resid 66 and name HN) (resid 68 and name HN) 4.0 2.2 1.0 ! A.1297 at 2.35e+06 assign (resid 66 and name HB1) (resid 69 and name HN) 3.0 1.2 1.5 ! A.1316 at 4.53e+06 assign (resid 66 and name HG2) (resid 69 and name HN) 4.0 2.2 1.1 ! A.1317 at 4.90e+06 assign (resid 66 and name HB1) (resid 69 and name HD1) 4.0 2.2 1.3 ! A.1308 at -5.73e+06 assign (resid 66 and name HG1) (resid 69 and name HD1) 4.0 2.2 1.7 ! A.1309 at -3.16e+06 ! K67 assign (resid 67 and name HN) (resid 67 and name HB1) 3.0 1.2 0.7 ! A.1248 at 1.65e+07 assign (resid 67 and name HN) (resid 67 and name HB2) 3.0 1.2 0.5 ! A.1249 at 7.54e+06 assign (resid 67 and name HN) (resid 67 and name HG1) 3.0 1.2 0.8 ! A.1250 at 8.65e+06 assign (resid 67 and name HN) (resid 67 and name HG2) 3.0 1.2 0.5 ! A.1251 at 7.62e+06 assign (resid 67 and name HA) (resid 67 and name HD1) 3.0 1.2 0.3 ! A.1219 at -1.26e+07 assign (resid 67 and name HA) (resid 67 and name HE1) 4.0 2.2 1.0 ! A.1220 at -2.95e+06 assign (resid 67 and name HA) (resid 67 and name HG1) 3.0 1.2 0.8 ! A.1221 at -1.25e+07 assign (resid 67 and name HD1) (resid 67 and name HN) 3.0 1.2 0.5 ! A.1229 at -7.15e+06 assign (resid 67 and name HG1) (resid 67 and name HE1) 3.0 1.2 0.3 ! A.1236 at -1.31e+07 assign (resid 67 and name HG2) (resid 67 and name HA) 3.0 1.2 0.3 ! A.1233 at -1.81e+07 assign (resid 67 and name HG2) (resid 67 and name HE1) 2.5 0.7 0.2 ! A.1237 at -4.29e+07 assign (resid 67 and name HN) (resid 68 and name HN) 3.0 1.2 0.5 ! A.1254 at 4.10e+06 assign (resid 67 and name HN) (resid 68 and name HG1) 4.0 2.2 1.0 ! A.1252 at 3.02e+06 assign (resid 67 and name HN) (resid 68 and name HG2) 4.0 2.2 1.0 ! A.1253 at 3.02e+06 assign (resid 67 and name HA) (resid 68 and name HG2) 4.0 2.2 1.0 ! A.1223 at -2.39e+06 assign (resid 67 and name HA) (resid 68 and name HN) 3.0 1.2 0.5 ! A.1298 at 5.02e+06 assign (resid 67 and name HB2) (resid 68 and name HN) 4.0 2.2 1.0 ! A.1299 at 2.30e+06 assign (resid 67 and name HN) (resid 69 and name HN) 3.0 1.2 0.5 ! A.1255 at 4.10e+06 assign (resid 67 and name HN) (resid 70 and name HN) 4.0 2.2 1.3 ! A.1256 at 1.76e+06 ! K68 assign (resid 68 and name HN) (resid 68 and name HB2) 3.0 1.2 0.5 ! A.1302 at 5.64e+06 assign (resid 68 and name HN) (resid 68 and name HD1) 3.0 1.2 0.8 ! A.1303 at 7.07e+06 assign (resid 68 and name HN) (resid 68 and name HG1) 3.0 1.2 0.8 ! A.1304 at 5.45e+06 assign (resid 68 and name HN) (resid 68 and name HG2) 3.0 1.2 0.5 ! A.1305 at 5.45e+06 assign (resid 68 and name HA) (resid 68 and name HD1) 3.0 1.2 0.3 ! A.1260 at -1.06e+07 assign (resid 68 and name HA) (resid 68 and name HG1) 3.0 1.2 1.0 ! A.1261 at -9.95e+06 assign (resid 68 and name HA) (resid 68 and name HG2) 3.0 1.2 0.3 ! A.1262 at -7.76e+06 assign (resid 68 and name HB1) (resid 68 and name HD1) 3.0 1.2 0.3 ! A.1266 at -4.78e+06 assign (resid 68 and name HD1) (resid 68 and name HB2) 3.0 1.2 0.7 ! A.1271 at -1.45e+07 assign (resid 68 and name HE1) (resid 68 and name HG1) 2.5 0.7 0.2 ! A.1279 at -3.48e+07 assign (resid 68 and name HE1) (resid 68 and name HG2) 2.5 0.7 0.2 ! A.1281 at -3.93e+07 assign (resid 68 and name HE2) (resid 68 and name HG1) 2.5 0.7 1.0 ! A.1280 at -3.30e+07 assign (resid 68 and name HE2) (resid 68 and name HG2) 2.5 0.7 0.2 ! A.1282 at -3.30e+07 assign (resid 68 and name HA) (resid 69 and name HN) 3.0 1.2 0.5 ! A.1319 at 5.29e+06 assign (resid 68 and name HB2) (resid 69 and name HN) 3.0 1.2 0.5 ! A.1320 at 5.64e+06 assign (resid 68 and name HA) (resid 69 and name HD1) 3.0 1.2 0.6 ! A.1310 at -3.55e+06 assign (resid 68 and name HA) (resid 70 and name HN) 3.0 1.2 1.7 ! A.1364 at 4.98e+06 assign (resid 68 and name HN) (resid 70 and name HN) 3.0 1.2 0.8 ! A.1367 at 1.96e+07 assign (resid 68 and name HB2) (resid 70 and name HN) 3.0 1.2 0.5 ! A.1365 at 5.53e+06 assign (resid 68 and name HG1) (resid 70 and name HN) 3.0 1.2 1.9 ! A.1366 at 7.79e+06 assign (resid 68 and name HN) (resid 70 and name HB) 4.0 2.2 1.0 ! A.1333 at -4.42e+06 assign (resid 68 and name HB1) (resid 70 and name HB) 3.0 1.2 0.3 ! A.1331 at -5.35e+06 assign (resid 68 and name HB2) (resid 70 and name HB) 3.0 1.2 0.3 ! A.1332 at -6.70e+06 assign (resid 68 and name HA) (resid 70 and name HG2#) 3.0 1.2 1.9 ! A.1345 at -1.17e+07 ! R69 assign (resid 69 and name HN) (resid 69 and name HB1) 3.0 1.2 1.1 ! A.1322 at 1.58e+07 assign (resid 69 and name HN) (resid 69 and name HB2) 3.0 1.2 0.5 ! A.1323 at 2.50e+07 assign (resid 69 and name HN) (resid 69 and name HD1) 3.0 1.2 0.5 ! A.1324 at 1.31e+07 assign (resid 69 and name HD1) (resid 69 and name HB1) 2.5 0.7 1.1 ! A.1311 at -6.28e+07 assign (resid 69 and name HD1) (resid 69 and name HB2) 2.5 0.7 0.2 ! A.1312 at -1.19e+08 assign (resid 69 and name HN) (resid 70 and name HN) 3.0 1.2 0.5 ! A.1325 at 1.46e+07 assign (resid 69 and name HD1) (resid 70 and name HN) 3.0 1.2 1.7 ! A.1314 at -1.02e+07 assign (resid 69 and name HA) (resid 70 and name HN) 3.0 1.2 0.5 ! A.1368 at 2.00e+07 assign (resid 69 and name HB1) (resid 70 and name HN) 3.0 1.2 1.4 ! A.1369 at 1.22e+07 assign (resid 69 and name HB2) (resid 70 and name HN) 3.0 1.2 1.3 ! A.1370 at 1.35e+07 assign (resid 69 and name HN) (resid 70 and name HB) 3.0 1.2 1.5 ! A.1334 at -4.42e+06 assign (resid 69 and name HA) (resid 70 and name HG2#) 3.0 1.2 1.6 ! A.1346 at -1.12e+07 ! T70 assign (resid 70 and name HN) (resid 70 and name HB) 3.0 1.2 0.5 ! A.1373 at 1.42e+07 assign (resid 70 and name HN) (resid 70 and name HG2#) 3.0 1.2 1.0 ! A.1374 at 2.30e+07 assign (resid 70 and name HG2#) (resid 70 and name HA) 2.5 0.7 0.7 ! A.1347 at -4.76e+07 assign (resid 70 and name HN) (resid 71 and name HA) 4.0 2.2 1.1 ! A.1375 at 9.92e+06 assign (resid 70 and name HN) (resid 71 and name HN) 3.0 1.2 1.4 ! A.1376 at 7.37e+06 assign (resid 70 and name HA) (resid 71 and name HN) 3.0 1.2 0.5 ! A.1380 at 1.41e+07 assign (resid 70 and name HB) (resid 71 and name HN) 3.0 1.2 0.5 ! A.1338 at -7.67e+06 assign (resid 70 and name HG2#) (resid 71 and name HN) 2.5 0.7 0.9 ! A.1350 at -3.05e+07 assign (resid 70 and name HB) (resid 71 and name HE1) 4.0 2.2 2.1 ! A.1394 at 6.06e+06 assign (resid 70 and name HN) (resid 72 and name HD1#) 4.0 2.2 1.5 ! A.1377 at 4.22e+06 assign (resid 70 and name HN) (resid 72 and name HD2#) 3.0 1.2 2.0 ! A.1378 at 7.79e+06 assign (resid 70 and name HB) (resid 72 and name HD2#) 3.0 1.2 1.4 ! A.1339 at -1.20e+07 assign (resid 70 and name HG2#) (resid 72 and name HA) 3.0 1.2 0.8 ! A.1351 at -1.11e+07 assign (resid 70 and name HG2#) (resid 72 and name HN) 3.0 1.2 1.0 ! A.1354 at -6.71e+06 assign (resid 70 and name HG2#) (resid 72 and name HD1#) 3.0 1.2 1.3 ! A.1352 at -1.74e+07 assign (resid 70 and name HG2#) (resid 72 and name HD2#) 2.5 0.7 1.2 ! A.1353 at -8.58e+07 assign (resid 70 and name HG2#) (resid 74 and name HE1) 4.0 2.2 1.4 ! A.1355 at -9.77e+06 ! W71 assign (resid 71 and name HN) (resid 71 and name HB1) 3.0 1.2 0.5 ! A.1385 at 8.69e+06 assign (resid 71 and name HN) (resid 71 and name HB2) 3.0 1.2 0.8 ! A.1386 at 8.71e+06 assign (resid 71 and name HN) (resid 71 and name HE1) 4.0 2.2 1.0 ! A.1387 at 2.39e+06 assign (resid 71 and name HE1) (resid 71 and name HA) 4.0 2.2 1.9 ! A.1395 at 6.98e+06 assign (resid 71 and name HE1) (resid 71 and name HB1) 4.0 2.2 1.3 ! A.1396 at 7.19e+06 assign (resid 71 and name HE1) (resid 71 and name HB2) 3.0 1.2 1.8 ! A.1397 at 7.03e+06 assign (resid 71 and name HN) (resid 72 and name HN) 4.0 2.2 1.0 ! A.1390 at 1.63e+06 assign (resid 71 and name HN) (resid 72 and name HD1#) 4.0 2.2 1.9 ! A.1388 at 1.38e+06 assign (resid 71 and name HN) (resid 72 and name HD2#) 3.0 1.2 1.5 ! A.1425 at -4.02e+06 assign (resid 71 and name HA) (resid 72 and name HN) 4.0 2.2 1.0 ! A.1435 at 2.45e+06 assign (resid 71 and name HB2) (resid 72 and name HN) 4.0 2.2 1.0 ! A.1436 at 2.36e+06 assign (resid 71 and name HA) (resid 72 and name HD1#) 3.0 1.2 1.8 ! A.1410 at -7.89e+06 assign (resid 71 and name HA) (resid 72 and name HD2#) 3.0 1.2 1.9 ! A.1424 at -1.03e+07 assign (resid 71 and name HN) (resid 73 and name HG) 3.0 1.2 1.5 ! A.1393 at 3.33e+06 assign (resid 71 and name HN) (resid 73 and name HB1) 4.0 2.2 2.0 ! A.1391 at 3.33e+06 assign (resid 71 and name HN) (resid 73 and name HD2#) 3.0 1.2 1.0 ! A.1392 at 5.72e+06 assign (resid 71 and name HE1) (resid 73 and name HG) 3.0 1.2 1.3 ! A.1401 at 5.01e+06 assign (resid 71 and name HE1) (resid 73 and name HD1#) 3.0 1.2 0.8 ! A.1399 at 6.86e+06 assign (resid 71 and name HE1) (resid 73 and name HD2#) 3.0 1.2 0.8 ! A.1400 at 6.17e+06 assign (resid 71 and name HA) (resid 73 and name HN) 3.0 1.2 1.8 ! A.1449 at 8.17e+06 assign (resid 71 and name HB2) (resid 73 and name HD2#) 3.0 1.2 0.8 ! A.1445 at -1.87e+07 ! L72 assign (resid 72 and name HN) (resid 72 and name HG) 3.0 1.2 0.5 ! A.1441 at 4.37e+06 assign (resid 72 and name HN) (resid 72 and name HB2) 3.0 1.2 0.5 ! A.1438 at 5.06e+06 assign (resid 72 and name HN) (resid 72 and name HD1#) 3.0 1.2 1.0 ! A.1439 at 4.65e+06 assign (resid 72 and name HN) (resid 72 and name HD2#) 3.0 1.2 1.0 ! A.1440 at 3.81e+06 assign (resid 72 and name HA) (resid 72 and name HD2#) 3.0 1.2 0.8 ! A.1402 at -4.25e+06 assign (resid 72 and name HD1#) (resid 72 and name HA) 3.0 1.2 0.8 ! A.1411 at -7.26e+06 assign (resid 72 and name HD1#) (resid 72 and name HB2) 2.5 0.7 0.7 ! A.1412 at -4.35e+07 assign (resid 72 and name HD2#) (resid 72 and name HB2) 3.0 1.2 0.8 ! A.1427 at -2.08e+07 assign (resid 72 and name HD1#) (resid 73 and name HN) 4.0 2.2 1.5 ! A.1416 at -7.05e+06 assign (resid 72 and name HD2#) (resid 73 and name HN) 3.0 1.2 1.5 ! A.1430 at -1.55e+07 assign (resid 72 and name HA) (resid 73 and name HN) 3.0 1.2 0.5 ! A.1450 at 9.39e+06 assign (resid 72 and name HG) (resid 73 and name HN) 3.0 1.2 1.7 ! A.1454 at 5.17e+06 assign (resid 72 and name HN) (resid 73 and name HN) 4.0 2.2 1.0 ! A.1455 at 2.33e+06 assign (resid 72 and name HB1) (resid 73 and name HN) 4.0 2.2 1.0 ! A.1451 at 3.20e+06 assign (resid 72 and name HD1#) (resid 84 and name HG12) 4.0 2.2 1.5 ! A.1417 at -2.49e+06 assign (resid 72 and name HD2#) (resid 84 and name HG12) 3.0 1.2 0.8 ! A.1431 at -3.68e+06 assign (resid 72 and name HD2#) (resid 90 and name HD2#) 3.0 1.2 1.3 ! A.1834 at -8.57e+06 ! L73 assign (resid 73 and name HN) (resid 73 and name HG) 3.0 1.2 0.5 ! A.1460 at 1.89e+07 assign (resid 73 and name HN) (resid 73 and name HB1) 3.0 1.2 0.5 ! A.1457 at 2.19e+07 assign (resid 73 and name HN) (resid 73 and name HD1#) 3.0 1.2 1.0 ! A.1458 at 2.24e+07 assign (resid 73 and name HN) (resid 73 and name HD2#) 3.0 1.2 1.0 ! A.1459 at 2.21e+07 assign (resid 73 and name HB1) (resid 73 and name HD1#) 3.0 1.2 0.8 ! A.1442 at -5.45e+06 assign (resid 73 and name HD1#) (resid 73 and name HA) 2.5 0.7 1.2 ! A.1443 at -4.63e+07 assign (resid 73 and name HD2#) (resid 73 and name HA) 3.0 1.2 1.1 ! A.1446 at -3.96e+07 assign (resid 73 and name HD2#) (resid 73 and name HB1) 2.5 0.7 0.7 ! A.1447 at -6.19e+07 assign (resid 73 and name HN) (resid 74 and name HN) 3.0 1.2 0.5 ! A.1461 at 5.52e+06 assign (resid 73 and name HD1#) (resid 74 and name HD2) 3.0 1.2 0.8 ! A.1462 at -5.62e+06 assign (resid 73 and name HD1#) (resid 74 and name HE1) 3.0 1.2 0.8 ! A.1472 at -7.77e+06 assign (resid 73 and name HD1#) (resid 74 and name HE2) 3.0 1.2 0.8 ! A.1473 at -1.10e+07 ! K74 assign (resid 74 and name HN) (resid 74 and name HB1) 3.0 1.2 0.5 ! A.1486 at 6.03e+06 assign (resid 74 and name HD1) (resid 74 and name HA) 3.0 1.2 0.3 ! A.1463 at -3.89e+06 assign (resid 74 and name HD1) (resid 74 and name HB1) 3.0 1.2 0.8 ! A.1465 at -4.94e+06 assign (resid 74 and name HD2) (resid 74 and name HA) 4.0 2.2 1.0 ! A.1464 at -2.06e+06 assign (resid 74 and name HD2) (resid 74 and name HB1) 4.0 2.2 1.0 ! A.1466 at -3.11e+06 assign (resid 74 and name HE1) (resid 74 and name HA) 3.0 1.2 0.7 ! A.1474 at -4.74e+06 assign (resid 74 and name HE1) (resid 74 and name HN) 3.0 1.2 0.5 ! A.1479 at -6.20e+06 assign (resid 74 and name HE2) (resid 74 and name HN) 3.0 1.2 0.5 ! A.1480 at -3.67e+06 assign (resid 74 and name HG2) (resid 74 and name HN) 4.0 2.2 1.0 ! A.1484 at -2.03e+06 assign (resid 74 and name HG2) (resid 74 and name HE1) 3.0 1.2 0.3 ! A.1482 at -3.93e+06 ! T75 assign (resid 75 and name HG2#) (resid 75 and name HA) 3.0 1.2 0.8 ! A.1491 at -5.81e+06 assign (resid 75 and name HA) (resid 76 and name HN) 4.0 2.2 1.0 ! A.1493 at 1.52e+06 assign (resid 75 and name HB) (resid 76 and name HN) 4.0 2.2 1.0 ! A.1494 at 1.23e+06 assign (resid 75 and name HG2#) (resid 77 and name HN) 4.0 2.2 1.5 ! A.1496 at 2.04e+06 ! H76 assign (resid 76 and name HN) (resid 77 and name HN) 4.0 2.2 1.0 ! A.1495 at 2.40e+06 assign (resid 76 and name HA) (resid 77 and name HN) 3.0 1.2 0.5 ! A.1497 at 4.15e+06 ! W77 assign (resid 77 and name HN) (resid 77 and name HB1) 4.0 2.2 1.0 ! A.1499 at 2.06e+06 assign (resid 77 and name HN) (resid 77 and name HB2) 4.0 2.2 1.0 ! A.1500 at 1.51e+06 assign (resid 77 and name HN) (resid 78 and name HN) 3.0 1.2 1.2 ! A.1522 at 4.40e+06 assign (resid 77 and name HE1) (resid 78 and name HN) 4.0 2.2 2.3 ! A.1502 at 1.71e+06 assign (resid 77 and name HA) (resid 78 and name HN) 3.0 1.2 0.5 ! A.1518 at 1.65e+07 assign (resid 77 and name HB1) (resid 78 and name HN) 3.0 1.2 0.5 ! A.1519 at 4.15e+06 assign (resid 77 and name HB2) (resid 78 and name HN) 3.0 1.2 0.5 ! A.1520 at 3.97e+06 ! T78 assign (resid 78 and name HN) (resid 78 and name HB) 4.0 2.2 1.0 ! A.1524 at 2.16e+06 assign (resid 78 and name HN) (resid 78 and name HG2#) 3.0 1.2 1.0 ! A.1525 at 1.16e+07 assign (resid 78 and name HG2#) (resid 78 and name HA) 3.0 1.2 0.8 ! A.1512 at -1.46e+07 assign (resid 78 and name HN) (resid 79 and name HN) 3.0 1.2 1.2 ! A.1526 at 3.49e+06 assign (resid 78 and name HG2#) (resid 79 and name HN) 3.0 1.2 1.0 ! A.1515 at -9.59e+06 assign (resid 78 and name HN) (resid 80 and name HN) 4.0 2.2 1.2 ! A.1572 at 4.05e+06 assign (resid 78 and name HN) (resid 80 and name HB1) 4.0 2.2 1.0 ! A.1527 at 2.10e+06 assign (resid 78 and name HG2#) (resid 80 and name HN) 3.0 1.2 1.0 ! A.1517 at -7.54e+06 assign (resid 78 and name HG2#) (resid 80 and name HB1) 3.0 1.2 1.5 ! A.1516 at -5.43e+06 assign (resid 78 and name HB) (resid 80 and name HN) 3.0 1.2 0.5 ! A.1570 at 6.91e+06 assign (resid 78 and name HN) (resid 81 and name HA) 4.0 2.2 1.0 ! A.1529 at 3.02e+06 assign (resid 78 and name HN) (resid 81 and name HN) 3.0 1.2 0.5 ! A.1536 at 3.52e+06 assign (resid 78 and name HN) (resid 81 and name HB1) 3.0 1.2 0.5 ! A.1530 at 9.49e+06 assign (resid 78 and name HN) (resid 81 and name HD1) 3.0 1.2 1.0 ! A.1531 at 3.71e+06 assign (resid 78 and name HN) (resid 81 and name HD2) 3.0 1.2 1.0 ! A.1532 at 4.17e+06 assign (resid 78 and name HN) (resid 81 and name HE1) 3.0 1.2 0.5 ! A.1533 at 3.97e+06 assign (resid 78 and name HN) (resid 81 and name HG1) 3.0 1.2 0.5 ! A.1610 at -5.65e+06 assign (resid 78 and name HN) (resid 81 and name HG2) 3.0 1.2 1.1 ! A.1535 at 6.49e+06 assign (resid 78 and name HN) (resid 82 and name HN) 3.0 1.2 1.2 ! A.1633 at 3.34e+06 ! L79 assign (resid 79 and name HN) (resid 79 and name HD1#) 3.0 1.2 1.0 ! A.1555 at 6.87e+06 assign (resid 79 and name HA) (resid 79 and name HG) 3.0 1.2 0.3 ! A.1539 at -4.03e+06 assign (resid 79 and name HA) (resid 79 and name HD1#) 3.0 1.2 0.8 ! A.1538 at -9.57e+06 assign (resid 79 and name HD1#) (resid 79 and name HB1) 3.0 1.2 0.8 ! A.1542 at -8.33e+06 assign (resid 79 and name HD2#) (resid 79 and name HA) 3.0 1.2 0.8 ! A.1551 at -5.43e+06 assign (resid 79 and name HD2#) (resid 79 and name HN) 4.0 2.2 1.5 ! A.1553 at -3.01e+06 assign (resid 79 and name HD2#) (resid 79 and name HB2) 3.0 1.2 0.8 ! A.1552 at -1.03e+07 assign (resid 79 and name HA) (resid 80 and name HN) 3.0 1.2 0.5 ! A.1573 at 5.11e+06 assign (resid 79 and name HN) (resid 80 and name HN) 3.0 1.2 0.5 ! A.1578 at 1.04e+07 assign (resid 79 and name HB1) (resid 80 and name HN) 3.0 1.2 0.5 ! A.1574 at 5.57e+06 assign (resid 79 and name HB2) (resid 80 and name HN) 3.0 1.2 0.5 ! A.1575 at 6.35e+06 assign (resid 79 and name HD1#) (resid 80 and name HN) 3.0 1.2 1.0 ! A.1576 at 1.21e+07 assign (resid 79 and name HD2#) (resid 80 and name HN) 3.0 1.2 1.0 ! A.1577 at 1.05e+07 assign (resid 79 and name HB2) (resid 81 and name HN) 3.0 1.2 1.8 ! A.1622 at 6.01e+06 assign (resid 79 and name HN) (resid 82 and name HN) 3.0 1.2 1.8 ! A.1634 at 9.74e+06 assign (resid 79 and name HA) (resid 83 and name HN) 4.0 2.2 1.0 ! A.1650 at 1.76e+06 assign (resid 79 and name HB1) (resid 83 and name HN) 4.0 2.2 1.0 ! A.1651 at 1.40e+06 assign (resid 79 and name HA) (resid 84 and name HD1#) 3.0 1.2 0.8 ! A.1540 at -3.84e+06 assign (resid 79 and name HD1#) (resid 84 and name HD1#) 2.5 0.7 1.2 ! A.1544 at -3.16e+07 assign (resid 79 and name HG) (resid 84 and name HD1#) 3.0 1.2 0.8 ! A.1678 at -5.01e+06 assign (resid 79 and name HA) (resid 84 and name HG2#) 3.0 1.2 1.2 ! A.1693 at -4.42e+06 assign (resid 79 and name HG) (resid 84 and name HG2#) 3.0 1.2 0.8 ! A.1695 at -9.25e+06 assign (resid 79 and name HB1) (resid 84 and name HG2#) 3.0 1.2 0.8 ! A.1694 at -6.11e+06 ! D80 assign (resid 80 and name HN) (resid 80 and name HB1) 3.0 1.2 0.5 ! A.1580 at 2.12e+07 assign (resid 80 and name HN) (resid 80 and name HB2) 3.0 1.2 0.5 ! A.1581 at 2.12e+07 assign (resid 80 and name HN) (resid 81 and name HN) 3.0 1.2 0.5 ! A.1582 at 7.08e+06 assign (resid 80 and name HA) (resid 81 and name HN) 3.0 1.2 0.5 ! A.1559 at -6.94e+06 assign (resid 80 and name HB2) (resid 81 and name HN) 3.0 1.2 0.5 ! A.1564 at -4.42e+06 assign (resid 80 and name HB1) (resid 81 and name HN) 3.0 1.2 0.5 ! A.1624 at 1.26e+07 assign (resid 80 and name HN) (resid 81 and name HA) 4.0 2.2 1.4 ! A.1587 at -1.88e+06 assign (resid 80 and name HB1) (resid 81 and name HA) 3.0 1.2 1.0 ! A.1586 at -3.47e+06 assign (resid 80 and name HN) (resid 82 and name HN) 4.0 2.2 1.0 ! A.1583 at 2.96e+06 assign (resid 80 and name HB1) (resid 82 and name HN) 4.0 2.2 1.0 ! A.1635 at 2.44e+06 assign (resid 80 and name HA) (resid 83 and name HN) 3.0 1.2 0.5 ! A.1560 at -6.94e+06 assign (resid 80 and name HN) (resid 83 and name HN) 4.0 2.2 1.0 ! A.1654 at 2.89e+06 assign (resid 80 and name HB1) (resid 83 and name HN) 4.0 2.2 1.3 ! A.1652 at 2.41e+06 assign (resid 80 and name HB2) (resid 83 and name HN) 4.0 2.2 1.4 ! A.1653 at 3.12e+06 assign (resid 80 and name HN) (resid 84 and name HD1#) 4.0 2.2 1.5 ! A.1584 at 1.45e+06 ! K81 assign (resid 81 and name HN) (resid 81 and name HG1) 4.0 2.2 1.0 ! A.1628 at 2.80e+06 assign (resid 81 and name HN) (resid 81 and name HG2) 3.0 1.2 1.2 ! A.1629 at 9.94e+06 assign (resid 81 and name HA) (resid 81 and name HG1) 3.0 1.2 0.9 ! A.1589 at -6.80e+06 assign (resid 81 and name HA) (resid 81 and name HG2) 3.0 1.2 0.3 ! A.1590 at -9.20e+06 assign (resid 81 and name HB1) (resid 81 and name HN) 3.0 1.2 0.5 ! A.1595 at -3.79e+06 assign (resid 81 and name HD1) (resid 81 and name HA) 3.0 1.2 0.9 ! A.1599 at -1.29e+07 assign (resid 81 and name HD1) (resid 81 and name HN) 3.0 1.2 0.5 ! A.1608 at -3.45e+06 assign (resid 81 and name HD1) (resid 81 and name HB1) 3.0 1.2 0.3 ! A.1601 at -1.12e+07 assign (resid 81 and name HD2) (resid 81 and name HA) 3.0 1.2 1.2 ! A.1600 at -6.25e+06 assign (resid 81 and name HD2) (resid 81 and name HN) 3.0 1.2 0.5 ! A.1609 at -3.61e+06 assign (resid 81 and name HD2) (resid 81 and name HB1) 3.0 1.2 0.3 ! A.1602 at -1.10e+07 assign (resid 81 and name HG1) (resid 81 and name HE1) 3.0 1.2 0.3 ! A.1615 at -4.99e+06 assign (resid 81 and name HG2) (resid 81 and name HE1) 3.0 1.2 0.3 ! A.1616 at -4.25e+06 assign (resid 81 and name HN) (resid 82 and name HN) 3.0 1.2 0.5 ! A.1630 at 6.30e+06 assign (resid 81 and name HB1) (resid 82 and name HN) 3.0 1.2 0.5 ! A.1638 at 6.52e+06 assign (resid 81 and name HA) (resid 82 and name HN) 3.0 1.2 0.5 ! A.1637 at 5.49e+06 assign (resid 81 and name HD1) (resid 82 and name HN) 4.0 2.2 1.0 ! A.1639 at 2.67e+06 assign (resid 81 and name HG2) (resid 82 and name HN) 3.0 1.2 0.5 ! A.1640 at 8.27e+06 assign (resid 81 and name HA) (resid 83 and name HN) 3.0 1.2 1.7 ! A.1655 at 7.67e+06 !! relaxed ! Y82 assign (resid 82 and name HN) (resid 82 and name HB1) 3.0 1.2 0.5 ! A.1643 at 7.04e+06 assign (resid 82 and name HN) (resid 82 and name HB2) 3.0 1.2 0.5 ! A.1644 at 5.84e+06 assign (resid 82 and name HN) (resid 83 and name HN) 3.0 1.2 0.5 ! A.1645 at 1.10e+07 assign (resid 82 and name HB2) (resid 83 and name HN) 3.0 1.2 0.5 ! A.1632 at -3.88e+06 assign (resid 82 and name HA) (resid 83 and name HN) 3.0 1.2 0.5 ! A.1656 at 4.02e+06 assign (resid 82 and name HB1) (resid 83 and name HN) 3.0 1.2 0.5 ! A.1657 at 4.22e+06 assign (resid 82 and name HN) (resid 84 and name HD1#) 3.0 1.2 1.0 ! A.1646 at 4.34e+06 assign (resid 82 and name HN) (resid 84 and name HG11) 4.0 2.2 1.0 ! A.1647 at 2.97e+06 assign (resid 82 and name HB1) (resid 84 and name HD1#) 3.0 1.2 0.8 ! A.1679 at -1.06e+07 assign (resid 82 and name HB2) (resid 84 and name HD1#) 3.0 1.2 0.8 ! A.1680 at -5.55e+06 ! G83 assign (resid 83 and name HN) (resid 84 and name HB) 3.0 1.2 0.9 ! A.1662 at 6.92e+06 assign (resid 83 and name HN) (resid 84 and name HN) 3.0 1.2 0.5 ! A.1666 at 1.43e+07 assign (resid 83 and name HN) (resid 84 and name HD1#) 3.0 1.2 1.0 ! A.1663 at 4.35e+06 assign (resid 83 and name HN) (resid 84 and name HG11) 3.0 1.2 0.5 ! A.1664 at 4.42e+06 assign (resid 83 and name HN) (resid 84 and name HG2#) 4.0 2.2 1.1 ! A.1665 at 6.97e+06 assign (resid 83 and name HA1) (resid 84 and name HN) 4.0 2.2 1.0 ! A.1706 at 2.39e+06 assign (resid 83 and name HA2) (resid 84 and name HN) 4.0 2.2 1.0 ! A.1707 at 2.44e+06 assign (resid 83 and name HA2) (resid 84 and name HA) 4.0 2.2 1.0 ! A.1667 at -1.85e+06 ! I84 assign (resid 84 and name HN) (resid 84 and name HB) 3.0 1.2 0.5 ! A.1709 at 3.43e+06 assign (resid 84 and name HN) (resid 84 and name HD1#) 3.0 1.2 1.0 ! A.1710 at 3.58e+06 assign (resid 84 and name HN) (resid 84 and name HG12) 4.0 2.2 1.0 ! A.1711 at 1.42e+06 assign (resid 84 and name HN) (resid 84 and name HG2#) 3.0 1.2 1.0 ! A.1712 at 6.04e+06 assign (resid 84 and name HA) (resid 84 and name HD1#) 4.0 2.2 1.5 ! A.1668 at -2.93e+06 assign (resid 84 and name HA) (resid 84 and name HG11) 4.0 2.2 1.0 ! A.1669 at -1.90e+06 assign (resid 84 and name HA) (resid 84 and name HG12) 4.0 2.2 1.0 ! A.1670 at -1.62e+06 assign (resid 84 and name HA) (resid 84 and name HG2#) 3.0 1.2 0.8 ! A.1671 at -6.15e+06 assign (resid 84 and name HB) (resid 84 and name HD1#) 4.0 2.2 1.5 ! A.1674 at -2.01e+06 assign (resid 84 and name HA) (resid 85 and name HA) 4.0 2.2 1.0 ! A.1673 at -1.85e+06 assign (resid 84 and name HG2#) (resid 85 and name HA) 3.0 1.2 0.8 ! A.1703 at -8.69e+06 assign (resid 84 and name HA) (resid 85 and name HN) 3.0 1.2 0.5 ! A.1719 at 1.41e+07 assign (resid 84 and name HB) (resid 85 and name HN) 4.0 2.2 1.0 ! A.1720 at 3.02e+06 assign (resid 84 and name HD1#) (resid 85 and name HN) 3.0 1.2 1.6 ! A.1721 at 4.95e+06 assign (resid 84 and name HG11) (resid 85 and name HN) 3.0 1.2 1.7 ! A.1722 at 5.45e+06 assign (resid 84 and name HG12) (resid 85 and name HN) 3.0 1.2 1.1 ! A.1723 at 3.62e+06 assign (resid 84 and name HG2#) (resid 85 and name HN) 3.0 1.2 1.0 ! A.1724 at 1.64e+07 assign (resid 84 and name HD1#) (resid 88 and name HB#) 3.0 1.2 1.3 ! A.1688 at -1.23e+07 assign (resid 84 and name HG2#) (resid 88 and name HA) 3.0 1.2 1.4 ! A.1704 at -8.15e+06 assign (resid 84 and name HG2#) (resid 88 and name HB#) 2.5 0.7 1.2 ! A.1705 at -3.69e+07 assign (resid 84 and name HG2#) (resid 88 and name HN) 3.0 1.2 1.0 ! A.1785 at 1.41e+07 assign (resid 84 and name HG11) (resid 88 and name HB#) 3.0 1.2 1.2 ! A.1775 at -2.84e+07 assign (resid 84 and name HD1#) (resid 90 and name HD1#) 3.0 1.2 1.3 ! A.1822 at -6.47e+06 assign (resid 84 and name HD1#) (resid 90 and name HD2#) 3.0 1.2 1.3 ! A.1835 at -8.57e+06 ! Q85 assign (resid 85 and name HN) (resid 85 and name HB1) 3.0 1.2 0.5 ! A.1726 at 1.30e+07 assign (resid 85 and name HN) (resid 85 and name HG1) 3.0 1.2 1.8 ! A.1728 at 1.15e+07 assign (resid 85 and name HN) (resid 85 and name HE21) 4.0 2.2 1.0 ! A.1727 at 2.64e+06 assign (resid 85 and name HA) (resid 85 and name HG1) 3.0 1.2 0.3 ! A.1715 at -7.46e+06 assign (resid 85 and name HE21) (resid 85 and name HA) 3.0 1.2 0.3 ! A.1732 at 6.65e+06 assign (resid 85 and name HE21) (resid 85 and name HB1) 3.0 1.2 0.6 ! A.1734 at 1.25e+07 assign (resid 85 and name HE21) (resid 85 and name HG1) 2.5 0.7 0.2 ! A.1737 at 4.44e+07 assign (resid 85 and name HE22) (resid 85 and name HA) 3.0 1.2 0.3 ! A.1733 at 6.86e+06 assign (resid 85 and name HE22) (resid 85 and name HB1) 3.0 1.2 1.8 ! A.1735 at 1.12e+07 assign (resid 85 and name HE22) (resid 85 and name HG1) 2.5 0.7 1.2 ! A.1738 at 4.15e+07 assign (resid 85 and name HN) (resid 86 and name HN) 3.0 1.2 1.3 ! A.1729 at 4.38e+06 assign (resid 85 and name HA) (resid 86 and name HN) 3.0 1.2 0.5 ! A.1759 at 1.95e+07 assign (resid 85 and name HB1) (resid 86 and name HN) 3.0 1.2 0.5 ! A.1760 at 1.86e+07 assign (resid 85 and name HG1) (resid 86 and name HN) 3.0 1.2 0.5 ! A.1761 at 1.06e+07 assign (resid 85 and name HN) (resid 86 and name HB#) 4.0 2.2 1.3 ! A.1750 at -4.67e+06 assign (resid 85 and name HB1) (resid 86 and name HB#) 3.0 1.2 0.8 ! A.1749 at -1.56e+07 assign (resid 85 and name HN) (resid 88 and name HN) 4.0 2.2 1.0 ! A.1731 at 3.04e+06 assign (resid 85 and name HN) (resid 88 and name HB#) 3.0 1.2 1.0 ! A.1730 at 9.88e+06 assign (resid 85 and name HB1) (resid 88 and name HB#) 3.0 1.2 0.8 ! A.1777 at -2.14e+07 ! A86 assign (resid 86 and name HN) (resid 86 and name HB#) 3.0 1.2 1.0 ! A.1764 at 2.11e+07 assign (resid 86 and name HN) (resid 87 and name HN) 4.0 2.2 1.0 ! A.1765 at 2.81e+06 assign (resid 86 and name HB#) (resid 87 and name HA) 3.0 1.2 0.8 ! A.1753 at -9.25e+06 assign (resid 86 and name HB#) (resid 87 and name HN) 3.0 1.2 1.0 ! A.1755 at -1.60e+07 assign (resid 86 and name HB#) (resid 87 and name HB1) 3.0 1.2 1.2 ! A.1754 at -9.50e+06 assign (resid 86 and name HB#) (resid 88 and name HN) 3.0 1.2 1.4 ! A.1756 at -8.13e+06 assign (resid 86 and name HA) (resid 88 and name HN) 3.0 1.2 0.5 ! A.1786 at 1.11e+07 ! D87 assign (resid 87 and name HA) (resid 88 and name HN) 2.5 0.7 0.9 ! A.1787 at 8.18e+07 assign (resid 87 and name HB1) (resid 88 and name HN) 4.0 2.2 1.0 ! A.1788 at 2.63e+06 assign (resid 87 and name HB2) (resid 88 and name HN) 3.0 1.2 1.0 ! A.1789 at 5.97e+07 assign (resid 87 and name HN) (resid 88 and name HB#) 2.5 0.7 1.3 ! A.1779 at -2.91e+07 ! A88 assign (resid 88 and name HN) (resid 88 and name HB#) 2.5 0.7 0.9 ! A.1791 at 3.60e+07 assign (resid 88 and name HA) (resid 89 and name HN) 3.0 1.2 0.5 ! A.1771 at -1.30e+07 assign (resid 88 and name HB#) (resid 89 and name HN) 2.5 0.7 0.9 ! A.1782 at -2.91e+07 assign (resid 88 and name HN) (resid 89 and name HN) 4.0 2.2 1.0 ! A.1817 at 2.82e+06 assign (resid 88 and name HA) (resid 89 and name HG1) 4.0 2.2 1.8 ! A.1803 at -1.02e+07 assign (resid 88 and name HN) (resid 90 and name HD2#) 3.0 1.2 2.0 ! A.1792 at 7.89e+06 ! K89 assign (resid 89 and name HN) (resid 89 and name HB2) 3.0 1.2 0.5 ! A.1819 at 7.89e+06 assign (resid 89 and name HN) (resid 89 and name HG2) 3.0 1.2 0.5 ! A.1820 at 7.18e+06 assign (resid 89 and name HB1) (resid 89 and name HN) 3.0 1.2 0.8 ! A.1794 at -6.10e+06 assign (resid 89 and name HD1) (resid 89 and name HA) 3.0 1.2 1.5 ! A.1796 at -2.83e+07 assign (resid 89 and name HD1) (resid 89 and name HN) 3.0 1.2 1.2 ! A.1798 at -1.18e+07 assign (resid 89 and name HE1) (resid 89 and name HN) 3.0 1.2 0.5 ! A.1800 at -1.48e+07 assign (resid 89 and name HG1) (resid 89 and name HA) 3.0 1.2 0.8 ! A.1804 at -1.11e+07 assign (resid 89 and name HG1) (resid 89 and name HN) 3.0 1.2 0.5 ! A.1812 at -5.89e+06 assign (resid 89 and name HG1) (resid 89 and name HE1) 3.0 1.2 0.3 ! A.1810 at -9.51e+06 assign (resid 89 and name HG2) (resid 89 and name HA) 3.0 1.2 0.3 ! A.1805 at -9.79e+06 assign (resid 89 and name HG2) (resid 89 and name HE1) 3.0 1.2 0.3 ! A.1811 at -1.37e+07 assign (resid 89 and name HD1) (resid 90 and name HN) 3.0 1.2 1.1 ! A.1799 at -1.01e+07 assign (resid 89 and name HG1) (resid 90 and name HN) 4.0 2.2 1.6 ! A.1814 at -5.77e+06 assign (resid 89 and name HA) (resid 90 and name HN) 3.0 1.2 0.5 ! A.1847 at 1.27e+07 assign (resid 89 and name HB1) (resid 90 and name HN) 3.0 1.2 0.5 ! A.1848 at 8.35e+06 ! L90 assign (resid 90 and name HN) (resid 90 and name HG) 3.0 1.2 0.5 ! A.1855 at 1.07e+07 assign (resid 90 and name HN) (resid 90 and name HB1) 3.0 1.2 1.0 ! A.1851 at 5.81e+06 assign (resid 90 and name HN) (resid 90 and name HB2) 3.0 1.2 0.5 ! A.1852 at 5.15e+06 assign (resid 90 and name HN) (resid 90 and name HD1#) 3.0 1.2 1.0 ! A.1853 at 1.31e+07 assign (resid 90 and name HN) (resid 90 and name HD2#) 3.0 1.2 1.0 ! A.1854 at 5.79e+06 assign (resid 90 and name HD1#) (resid 90 and name HB1) 3.0 1.2 0.8 ! A.1823 at -9.36e+06 assign (resid 90 and name HD1#) (resid 90 and name HB2) 3.0 1.2 0.8 ! A.1824 at -1.75e+07 assign (resid 90 and name HD2#) (resid 90 and name HA) 3.0 1.2 0.8 ! A.1836 at -7.37e+06 assign (resid 90 and name HD2#) (resid 90 and name HB1) 3.0 1.2 0.8 ! A.1837 at -5.38e+06 assign (resid 90 and name HD2#) (resid 90 and name HB2) 3.0 1.2 0.8 ! A.1838 at -1.30e+07 assign (resid 90 and name HD1#) (resid 91 and name HN) 3.0 1.2 1.3 ! A.1828 at -4.28e+06 assign (resid 90 and name HD2#) (resid 91 and name HN) 3.0 1.2 1.0 ! A.1842 at -4.29e+06 assign (resid 90 and name HA) (resid 91 and name HN) 3.0 1.2 0.5 ! A.1883 at 1.07e+07 assign (resid 90 and name HG) (resid 91 and name HN) 3.0 1.2 1.7 ! A.1888 at 9.00e+06 assign (resid 90 and name HN) (resid 91 and name HN) 3.0 1.2 1.5 ! A.1889 at 6.13e+06 assign (resid 90 and name HB1) (resid 91 and name HN) 3.0 1.2 0.5 ! A.1884 at 7.91e+06 assign (resid 90 and name HB2) (resid 91 and name HN) 3.0 1.2 0.5 ! A.1885 at 1.10e+07 ! Q91 assign (resid 91 and name HN) (resid 91 and name HB1) 3.0 1.2 1.0 ! A.1891 at 1.07e+07 assign (resid 91 and name HN) (resid 91 and name HB2) 3.0 1.2 0.5 ! A.1892 at 1.00e+07 assign (resid 91 and name HN) (resid 91 and name HG1) 3.0 1.2 0.5 ! A.1893 at 4.88e+06 assign (resid 91 and name HN) (resid 91 and name HG2) 3.0 1.2 1.1 ! A.1894 at 5.65e+06 assign (resid 91 and name HG1) (resid 91 and name HA) 3.0 1.2 0.3 ! A.1867 at -3.84e+06 assign (resid 91 and name HG1) (resid 91 and name HE21) 4.0 2.2 1.0 ! A.1870 at -2.64e+06 assign (resid 91 and name HG1) (resid 91 and name HE22) 3.0 1.2 0.8 ! A.1872 at -4.22e+06 assign (resid 91 and name HG2) (resid 91 and name HA) 4.0 2.2 1.0 ! A.1868 at -3.16e+06 assign (resid 91 and name HG2) (resid 91 and name HE21) 4.0 2.2 1.0 ! A.1871 at -2.25e+06 assign (resid 91 and name HG2) (resid 91 and name HE22) 3.0 1.2 1.0 ! A.1873 at -4.54e+06 assign (resid 91 and name HE21) (resid 91 and name HA) 4.0 2.2 1.0 ! A.1900 at 1.96e+06 assign (resid 91 and name HE21) (resid 91 and name HB2) 3.0 1.2 0.3 ! A.1901 at 7.58e+06 assign (resid 91 and name HE22) (resid 91 and name HN) 4.0 2.2 1.4 ! A.1909 at 2.27e+06 assign (resid 91 and name HE22) (resid 91 and name HB2) 3.0 1.2 0.3 ! A.1902 at 9.41e+06 assign (resid 91 and name HA) (resid 92 and name HN) 4.0 2.2 1.0 ! A.1860 at -1.97e+06 assign (resid 91 and name HB2) (resid 92 and name HN) 3.0 1.2 0.5 ! A.1919 at 3.85e+06 assign (resid 91 and name HG2) (resid 92 and name HN) 4.0 2.2 1.0 ! A.1920 at 3.05e+06 assign (resid 91 and name HB2) (resid 93 and name HB) 4.0 2.2 1.0 ! A.1926 at -3.20e+06 ! F92 assign (resid 92 and name HN) (resid 92 and name HB1) 4.0 2.2 1.0 ! A.1922 at 2.52e+06 assign (resid 92 and name HN) (resid 92 and name HB2) 3.0 1.2 0.5 ! A.1923 at 3.89e+06 assign (resid 92 and name HA) (resid 93 and name HN) 3.0 1.2 0.5 ! A.1934 at 7.04e+06 assign (resid 92 and name HB1) (resid 93 and name HN) 3.0 1.2 1.5 ! A.1935 at 3.22e+06 assign (resid 92 and name HB2) (resid 93 and name HN) 3.0 1.2 1.4 ! A.1936 at 3.89e+06 ! T93 assign (resid 93 and name HN) (resid 93 and name HG2#) 3.0 1.2 1.0 ! A.1937 at 8.86e+06 assign (resid 93 and name HB) (resid 93 and name HN) 4.0 2.2 1.0 ! A.1929 at -2.22e+06 assign (resid 93 and name HG2#) (resid 94 and name HD1) 4.0 2.2 1.5 ! A.1939 at -2.76e+06 assign (resid 93 and name HA) (resid 94 and name HG1) 4.0 2.2 1.0 ! A.1940 at -3.02e+06 ! P94 ! added from free form assign (resid 49 and name HG2#) (resid 58 and name HN) 4.0 2.2 1.2 ! A.1973 at -8.12e+05 assign (resid 49 and name HG2#) (resid 58 and name HB1) 4.0 2.2 1.5 ! A.1961 at 6.14e+05 assign (resid 49 and name HG2#) (resid 58 and name HB2) 4.0 2.2 2.5 ! A.1962 at 4.54e+05 assign (resid 49 and name HA) (resid 58 and name HE1) 4.0 2.2 1.0 ! A.1985 at -5.57e+05 assign (resid 49 and name HB) (resid 58 and name HE1) 4.0 2.2 2.0 ! A.1986 at -6.02e+05 assign (resid 49 and name HG1#) (resid 58 and name HE1) 2.5 0.7 0.7 ! A.1987 at -3.94e+06 assign (resid 49 and name HG2#) (resid 58 and name HE1) 3.0 1.2 1.0 ! A.1988 at -3.15e+06 assign (resid 52 and name HN) (resid 52 and name HG) 3.0 1.2 1.2 ! A.1839 at -1.89e+06 assign (resid 52 and name HN) (resid 52 and name HB1) 2.5 0.7 0.4 ! A.1837 at -1.14e+06 assign (resid 52 and name HN) (resid 52 and name HD1#) 2.5 0.7 1.4 ! A.1838 at -1.10e+06 assign (resid 52 and name HA) (resid 52 and name HD1#) 2.5 0.7 0.7 ! A.1810 at 1.83e+06 assign (resid 52 and name HB1) (resid 52 and name HD1#) 4.0 2.2 2.5 ! A.1814 at 2.29e+05 assign (resid 52 and name HN) (resid 53 and name HA) 4.0 2.2 2.0 ! A.1840 at -1.72e+05 assign (resid 52 and name HN) (resid 53 and name HN) 2.5 0.7 0.4 ! A.1857 at -1.51e+06 assign (resid 52 and name HA) (resid 53 and name HN) 2.5 0.7 0.9 ! A.1853 at -1.96e+06 assign (resid 52 and name HG) (resid 53 and name HN) 3.0 1.2 1.4 ! A.1856 at -8.09e+05 assign (resid 52 and name HB1) (resid 53 and name HN) 2.5 0.7 0.4 ! A.1854 at -1.87e+06 assign (resid 52 and name HD1#) (resid 53 and name HN) 3.0 1.2 1.3 ! A.1855 at -1.71e+06 assign (resid 52 and name HN) (resid 54 and name HG1#) 4.0 2.2 1.5 ! A.1833 at -5.78e+05 assign (resid 52 and name HD1#) (resid 54 and name HB) 4.0 2.2 2.1 ! A.1810 at 7.37e+05 assign (resid 52 and name HD1#) (resid 54 and name HG1#) 3.0 1.2 1.5 ! A.1811 at 3.28e+06 assign (resid 52 and name HA) (resid 54 and name HG1#) 4.0 2.2 1.5 ! A.1868 at 5.67e+05 assign (resid 52 and name HG) (resid 54 and name HG1#) 2.5 0.7 0.7 ! A.1869 at 1.40e+06 assign (resid 52 and name HG) (resid 58 and name HE1) 4.0 2.2 2.0 ! A.1991 at -3.96e+05 assign (resid 52 and name HB1) (resid 58 and name HE1) 2.5 0.7 1.4 ! A.1989 at -1.29e+06 assign (resid 52 and name HD1#) (resid 58 and name HE1) 4.0 2.2 2.5 ! A.1990 at -4.00e+05 assign (resid 53 and name HN) (resid 53 and name HB1) 2.5 0.7 1.1 ! A.1859 at -2.85e+06 assign (resid 53 and name HN) (resid 53 and name HB2) 2.5 0.7 0.4 ! A.1860 at -2.51e+06 assign (resid 53 and name HN) (resid 54 and name HB) 4.0 2.2 2.0 ! A.1861 at -3.14e+05 assign (resid 53 and name HN) (resid 54 and name HN) 2.5 0.7 0.4 ! A.1862 at -1.40e+06 assign (resid 53 and name HN) (resid 54 and name HG1#) 3.0 1.2 1.4 ! A.1852 at -1.47e+06 assign (resid 53 and name HA) (resid 54 and name HN) 3.0 1.2 0.5 ! A.1876 at -9.86e+05 assign (resid 53 and name HB2) (resid 54 and name HN) 4.0 2.2 2.0 ! A.1877 at -2.63e+05 assign (resid 53 and name HB2) (resid 54 and name HB) 4.0 2.2 1.6 ! A.1860 at 6.73e+05 assign (resid 53 and name HA) (resid 54 and name HG1#) 2.5 0.7 1.2 ! A.1865 at 1.27e+06 assign (resid 53 and name HB1) (resid 54 and name HG1#) 3.0 1.2 1.2 ! A.1866 at 1.15e+06 assign (resid 53 and name HB2) (resid 54 and name HG1#) 4.0 2.2 2.5 ! A.1867 at 2.97e+05 assign (resid 53 and name HN) (resid 56 and name HN) 4.0 2.2 2.2 ! A.1854 at -7.05e+05 assign (resid 54 and name HN) (resid 54 and name HB) 4.0 2.2 2.0 ! A.1878 at -1.70e+05 assign (resid 54 and name HA) (resid 54 and name HG1#) 2.5 0.7 0.7 ! A.1864 at 5.31e+06 assign (resid 54 and name HG1#) (resid 54 and name HN) 2.5 0.7 0.9 ! A.1874 at 1.66e+06 assign (resid 54 and name HA) (resid 55 and name HN) 4.0 2.2 1.0 ! A.1858 at 6.62e+05 assign (resid 54 and name HG1#) (resid 55 and name HN) 3.0 1.2 1.0 ! A.1872 at 8.84e+05 assign (resid 54 and name HA) (resid 56 and name HN) 2.5 0.7 1.3 ! A.1928 at -1.75e+06 assign (resid 54 and name HG1#) (resid 56 and name HN) 3.0 1.2 1.1 ! A.1875 at 1.16e+06 assign (resid 54 and name HA) (resid 56 and name HB1) 4.0 2.2 2.0 ! A.1890 at 1.38e+05 assign (resid 54 and name HA) (resid 56 and name HB2) 4.0 2.2 2.0 ! A.1891 at 2.72e+05 assign (resid 54 and name HA) (resid 58 and name HE1) 4.0 2.2 1.0 ! A.1992 at -9.15e+05 assign (resid 54 and name HB) (resid 58 and name HE1) 4.0 2.2 1.0 ! A.1993 at -5.15e+05 assign (resid 55 and name HN) (resid 56 and name HN) 4.0 2.2 2.0 ! A.1927 at -2.65e+05 assign (resid 55 and name HN) (resid 58 and name HE1) 4.0 2.2 2.0 ! A.1993 at -1.78e+05 assign (resid 56 and name HN) (resid 58 and name HE1) 4.0 2.2 2.0 ! A.1939 at -3.01e+05 assign (resid 56 and name HA) (resid 58 and name HE1) 4.0 2.2 2.0 ! A.1889 at 1.97e+05 assign (resid 56 and name HB2) (resid 58 and name HE1) 4.0 2.2 2.0 ! A.1910 at 2.95e+05 assign (resid 56 and name HB1) (resid 58 and name HE1) 2.5 0.7 0.2 ! A.1996 at -2.43e+06 assign (resid 57 and name HN) (resid 58 and name HN) 4.0 2.2 2.0 ! A.1956 at -1.70e+05 assign (resid 57 and name HN) (resid 58 and name HB2) 4.0 2.2 2.4 ! A.1955 at -2.48e+05 assign (resid 57 and name HA) (resid 58 and name HN) 2.5 0.7 0.4 ! A.1974 at -5.69e+06 assign (resid 57 and name HB1) (resid 58 and name HN) 3.0 1.2 1.2 ! A.1975 at -8.91e+05 assign (resid 57 and name HB2) (resid 58 and name HN) 3.0 1.2 1.4 ! A.1976 at -8.95e+05 assign (resid 57 and name HB2) (resid 58 and name HA) 4.0 2.2 1.6 ! A.1957 at 6.02e+05 assign (resid 57 and name HN) (resid 58 and name HE1) 4.0 2.2 2.0 ! A.1997 at -4.56e+05 assign (resid 57 and name HA) (resid 60 and name HN) 4.0 2.2 2.0 ! A.2025 at -2.58e+05 assign (resid 58 and name HN) (resid 58 and name HB1) 2.5 0.7 1.0 ! A.1979 at -1.13e+06 assign (resid 58 and name HN) (resid 58 and name HB2) 2.5 0.7 0.4 ! A.1980 at -1.51e+06 assign (resid 58 and name HE1) (resid 58 and name HA) 4.0 2.2 1.5 ! A.1998 at -5.47e+05 assign (resid 58 and name HE1) (resid 58 and name HN) 4.0 2.2 2.0 ! A.2001 at -3.96e+05 assign (resid 58 and name HE1) (resid 58 and name HB1) 4.0 2.2 2.0 ! A.1999 at -3.36e+05 assign (resid 58 and name HE1) (resid 58 and name HB2) 4.0 2.2 1.2 ! A.2000 at -1.21e+06 assign (resid 58 and name HN) (resid 59 and name HA) 4.0 2.2 2.0 ! A.1981 at -2.75e+05 assign (resid 58 and name HN) (resid 59 and name HN) 2.5 0.7 0.4 ! A.1983 at -1.33e+06 assign (resid 58 and name HN) (resid 59 and name HB2) 4.0 2.2 2.0 ! A.1982 at -3.11e+05 assign (resid 58 and name HB1) (resid 59 and name HN) 3.0 1.2 0.5 ! A.2012 at -8.26e+05 assign (resid 58 and name HB2) (resid 59 and name HN) 2.5 0.7 0.4 ! A.2013 at -1.53e+06 assign (resid 58 and name HA) (resid 59 and name HN) 2.5 0.7 1.0 ! A.2011 at -3.97e+06 assign (resid 58 and name HB1) (resid 61 and name HB1) 4.0 2.2 2.0 ! A.1971 at 2.11e+05 assign (resid 58 and name HB2) (resid 61 and name HB1) 4.0 2.2 2.6 ! A.1972 at 1.60e+05 assign (resid 58 and name HB1) (resid 61 and name HN) 4.0 2.2 2.0 ! A.2044 at -2.90e+05 assign (resid 58 and name HB2) (resid 61 and name HN) 4.0 2.2 2.0 ! A.2045 at -3.14e+05 assign (resid 58 and name HA) (resid 61 and name HA) 4.0 2.2 2.0 ! A.2033 at 3.49e+05 assign (resid 59 and name HN) (resid 60 and name HN) 3.0 1.2 0.5 ! A.2019 at -9.75e+05 assign (resid 59 and name HN) (resid 60 and name HB1) 4.0 2.2 1.0 ! A.2018 at -7.19e+05 assign (resid 59 and name HA) (resid 60 and name HN) 4.0 2.2 2.0 ! A.2026 at -1.93e+05 assign (resid 59 and name HB1) (resid 60 and name HN) 4.0 2.2 2.0 ! A.2027 at -1.44e+05 assign (resid 59 and name HB2) (resid 60 and name HN) 4.0 2.2 2.0 ! A.2028 at -1.45e+05 assign (resid 59 and name HN) (resid 61 and name HN) 4.0 2.2 2.0 ! A.2020 at -4.01e+05 assign (resid 59 and name HA) (resid 61 and name HN) 4.0 2.2 2.0 ! A.2046 at -3.53e+05 assign (resid 59 and name HB2) (resid 61 and name HN) 4.0 2.2 2.0 ! A.2047 at -3.35e+05 assign (resid 60 and name HN) (resid 61 and name HN) 2.5 0.7 0.4 ! A.2050 at -1.02e+06 assign (resid 60 and name HA) (resid 61 and name HN) 2.5 0.7 1.0 ! A.2048 at -1.04e+06 assign (resid 60 and name HB1) (resid 61 and name HN) 2.5 0.7 0.9 ! A.2049 at -1.20e+06 !@ END_XPLR_NOE_FILE
Contact the webmaster for help, if required. Saturday, April 27, 2024 1:52:06 PM GMT (wattos1)