NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
643274 |
6u4m   |
30658 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
# Restraints file 1: lim4_free-restraint-submit.xtb !@ BEGIN_XPLR_NOE_FILE ! G534 ! A535 assign (resid 535 and name HA) (resid 536 and name HN) 3.0 1.2 0.5 ! A.10 at 1.57e+07 assign (resid 535 and name HB#) (resid 536 and name HN) 4.0 2.2 1.5 ! A.11 at 2.94e+06 ! M536 assign (resid 536 and name HA) (resid 536 and name HG2) 3.0 1.2 0.3 ! A.2 at -1.27e+07 assign (resid 536 and name HG1) (resid 536 and name HA) 4.0 2.2 1.0 ! A.6 at -2.45e+06 assign (resid 536 and name HN) (resid 536 and name HB2) 3.0 1.2 0.5 ! A.13 at 7.38e+06 assign (resid 536 and name HN) (resid 536 and name HG1) 4.0 2.2 1.0 ! A.14 at 2.18e+06 assign (resid 536 and name HN) (resid 536 and name HG2) 4.0 2.2 1.0 ! A.15 at 2.18e+06 assign (resid 536 and name HA) (resid 537 and name HN) 2.5 0.7 0.9 ! A.31 at 7.43e+07 assign (resid 536 and name HN) (resid 537 and name HA) 3.0 1.2 1.3 ! A.16 at 1.02e+08 assign (resid 536 and name HB1) (resid 537 and name HN) 3.0 1.2 0.5 ! A.32 at 9.86e+06 assign (resid 536 and name HB2) (resid 537 and name HN) 3.0 1.2 0.5 ! A.33 at 6.50e+06 assign (resid 536 and name HN) (resid 538 and name HD1) 4.0 2.2 1.7 ! A.17 at 2.30e+06 assign (resid 536 and name HN) (resid 540 and name HA) 4.0 2.2 1.0 ! A.18 at 4.68e+06 ! D537 assign (resid 537 and name HB1) (resid 537 and name HN) 3.0 1.2 0.5 ! A.23 at -8.25e+06 assign (resid 537 and name HB2) (resid 537 and name HN) 3.0 1.2 0.5 ! A.24 at -1.01e+07 assign (resid 537 and name HB1) (resid 538 and name HD1) 3.0 1.2 0.3 ! A.52 at -6.73e+06 assign (resid 537 and name HB1) (resid 538 and name HD2) 3.0 1.2 0.3 ! A.53 at -1.66e+07 assign (resid 537 and name HB2) (resid 538 and name HD1) 4.0 2.2 1.0 ! A.54 at -4.50e+06 assign (resid 537 and name HB2) (resid 538 and name HD2) 3.0 1.2 0.3 ! A.55 at -5.93e+06 assign (resid 537 and name HN) (resid 538 and name HD1) 4.0 2.2 1.0 ! A.37 at 3.40e+06 assign (resid 537 and name HN) (resid 538 and name HD2) 4.0 2.2 1.0 ! A.38 at 3.45e+06 assign (resid 537 and name HA) (resid 538 and name HD1) 2.5 0.7 0.2 ! A.50 at -5.53e+07 assign (resid 537 and name HA) (resid 538 and name HD2) 2.5 0.7 0.2 ! A.51 at -6.63e+07 assign (resid 537 and name HB1) (resid 539 and name HN) 4.0 2.2 1.0 ! A.84 at 5.39e+06 assign (resid 537 and name HB2) (resid 539 and name HN) 4.0 2.2 1.0 ! A.30 at -2.09e+06 assign (resid 537 and name HA) (resid 539 and name HN) 2.5 0.7 1.1 ! A.83 at 5.81e+07 assign (resid 537 and name HN) (resid 540 and name HB2) 4.0 2.2 1.0 ! A.39 at 1.91e+06 assign (resid 537 and name HB1) (resid 540 and name HN) 4.0 2.2 1.0 ! A.105 at 2.83e+06 ! P538 assign (resid 538 and name HA) (resid 538 and name HG1) 3.0 1.2 0.8 ! A.41 at -2.36e+07 assign (resid 538 and name HA) (resid 538 and name HG2) 3.0 1.2 1.0 ! A.42 at -2.74e+07 assign (resid 538 and name HB1) (resid 538 and name HD1) 3.0 1.2 0.3 ! A.47 at -8.36e+06 assign (resid 538 and name HA) (resid 539 and name HN) 2.5 0.7 0.9 ! A.43 at -5.79e+07 assign (resid 538 and name HB1) (resid 539 and name HN) 4.0 2.2 1.0 ! A.49 at -3.53e+06 assign (resid 538 and name HD2) (resid 539 and name HN) 3.0 1.2 0.5 ! A.88 at 1.15e+07 assign (resid 538 and name HD1) (resid 539 and name HN) 4.0 2.2 2.0 ! A.87 at 1.32e+06 assign (resid 538 and name HA) (resid 540 and name HB2) 4.0 2.2 1.0 ! A.44 at -4.39e+06 assign (resid 538 and name HA) (resid 540 and name HN) 4.0 2.2 1.0 ! A.45 at -4.88e+06 ! E539 assign (resid 539 and name HB2) (resid 539 and name HN) 3.0 1.2 0.5 ! A.75 at -2.49e+07 assign (resid 539 and name HG1) (resid 539 and name HA) 3.0 1.2 0.8 ! A.77 at -1.05e+07 assign (resid 539 and name HG1) (resid 539 and name HN) 3.0 1.2 0.5 ! A.81 at -6.43e+06 assign (resid 539 and name HG2) (resid 539 and name HA) 3.0 1.2 0.3 ! A.78 at -1.24e+07 assign (resid 539 and name HG2) (resid 539 and name HN) 4.0 2.2 1.0 ! A.82 at -4.56e+06 assign (resid 539 and name HN) (resid 539 and name HB1) 3.0 1.2 0.5 ! A.90 at 1.43e+07 assign (resid 539 and name HA) (resid 540 and name HB1) 3.0 1.2 1.3 ! A.69 at -8.63e+06 assign (resid 539 and name HA) (resid 540 and name HB2) 3.0 1.2 1.7 ! A.70 at -8.63e+06 assign (resid 539 and name HA) (resid 540 and name HN) 2.5 0.7 1.0 ! A.71 at -5.07e+07 assign (resid 539 and name HB2) (resid 540 and name HN) 2.5 0.7 0.4 ! A.109 at 4.31e+07 assign (resid 539 and name HN) (resid 540 and name HB1) 4.0 2.2 1.0 ! A.94 at 2.36e+06 assign (resid 539 and name HN) (resid 540 and name HB2) 4.0 2.2 1.0 ! A.95 at 2.36e+06 assign (resid 539 and name HN) (resid 540 and name HN) 3.0 1.2 0.5 ! A.96 at 3.25e+07 assign (resid 539 and name HB1) (resid 540 and name HA) 4.0 2.2 1.0 ! A.97 at -4.08e+06 assign (resid 539 and name HB2) (resid 540 and name HA) 4.0 2.2 1.0 ! A.98 at -4.07e+06 assign (resid 539 and name HB1) (resid 540 and name HN) 3.0 1.2 0.5 ! A.108 at 6.47e+06 assign (resid 539 and name HG1) (resid 540 and name HN) 4.0 2.2 1.0 ! A.110 at 3.39e+06 assign (resid 539 and name HG2) (resid 540 and name HN) 3.0 1.2 0.5 ! A.111 at 6.47e+06 assign (resid 539 and name HA) (resid 541 and name HN) 4.0 2.2 1.0 ! A.120 at 2.75e+06 assign (resid 539 and name HB2) (resid 541 and name HN) 4.0 2.2 1.0 ! A.121 at 2.62e+06 ! F540 assign (resid 540 and name HB1) (resid 540 and name HN) 3.0 1.2 0.5 ! A.103 at -2.29e+07 assign (resid 540 and name HB2) (resid 540 and name HN) 3.0 1.2 0.5 ! A.104 at -2.12e+07 assign (resid 540 and name HA) (resid 541 and name HN) 2.5 0.7 1.0 ! A.122 at 5.47e+07 ! Y541 assign (resid 541 and name HB1) (resid 541 and name HN) 3.0 1.2 0.5 ! A.118 at -9.72e+06 assign (resid 541 and name HB2) (resid 541 and name HN) 3.0 1.2 0.5 ! A.119 at -6.53e+06 assign (resid 541 and name HA) (resid 542 and name HN) 3.0 1.2 0.5 ! A.132 at 1.10e+07 assign (resid 541 and name HB1) (resid 542 and name HN) 4.0 2.2 1.0 ! A.133 at 2.75e+06 ! H542 assign (resid 542 and name HB2) (resid 542 and name HN) 4.0 2.2 1.0 ! A.130 at -1.83e+06 assign (resid 542 and name HN) (resid 542 and name HB1) 3.0 1.2 0.5 ! A.135 at 6.77e+06 assign (resid 542 and name HA) (resid 543 and name HN) 2.5 0.7 0.9 ! A.147 at 4.32e+07 assign (resid 542 and name HB1) (resid 543 and name HN) 3.0 1.2 0.5 ! A.148 at 7.90e+06 assign (resid 542 and name HB2) (resid 543 and name HN) 3.0 1.2 0.5 ! A.149 at 8.36e+06 ! E543 assign (resid 543 and name HA) (resid 543 and name HG1) 3.0 1.2 0.3 ! A.138 at -2.55e+07 assign (resid 543 and name HB1) (resid 543 and name HN) 4.0 2.2 1.0 ! A.143 at -5.65e+06 assign (resid 543 and name HG1) (resid 543 and name HN) 3.0 1.2 0.5 ! A.146 at -1.52e+07 assign (resid 543 and name HA) (resid 544 and name HN) 3.0 1.2 0.5 ! A.140 at -1.41e+07 assign (resid 543 and name HG1) (resid 544 and name HN) 4.0 2.2 1.0 ! A.167 at 2.18e+06 ! R544 assign (resid 544 and name HA) (resid 544 and name HD1) 3.0 1.2 0.3 ! A.154 at -2.35e+07 assign (resid 544 and name HA) (resid 544 and name HG1) 2.5 0.7 0.9 ! A.155 at -7.70e+07 assign (resid 544 and name HB1) (resid 544 and name HD1) 3.0 1.2 0.3 ! A.159 at -9.70e+06 assign (resid 544 and name HN) (resid 544 and name HB1) 4.0 2.2 1.0 ! A.169 at 4.71e+06 assign (resid 544 and name HN) (resid 544 and name HB2) 3.0 1.2 0.5 ! A.170 at 9.22e+06 assign (resid 544 and name HN) (resid 544 and name HG1) 4.0 2.2 1.0 ! A.171 at 5.19e+06 ! R545 assign (resid 545 and name HA) (resid 545 and name HD1) 3.0 1.2 1.0 ! A.174 at -2.35e+07 assign (resid 545 and name HA) (resid 545 and name HG1) 2.5 0.7 0.9 ! A.175 at -6.66e+07 assign (resid 545 and name HB1) (resid 545 and name HD1) 3.0 1.2 0.3 ! A.180 at -9.70e+06 assign (resid 545 and name HB1) (resid 545 and name HN) 4.0 2.2 1.0 ! A.184 at -2.71e+06 assign (resid 545 and name HB2) (resid 545 and name HD1) 3.0 1.2 0.3 ! A.181 at -3.24e+07 assign (resid 545 and name HB2) (resid 545 and name HN) 4.0 2.2 1.0 ! A.185 at -3.92e+06 assign (resid 545 and name HN) (resid 545 and name HD1) 4.0 2.2 1.0 ! A.193 at 2.98e+06 assign (resid 545 and name HN) (resid 545 and name HG1) 3.0 1.2 0.5 ! A.194 at 1.45e+07 assign (resid 545 and name HA) (resid 546 and name HN) 3.0 1.2 0.5 ! A.177 at -1.15e+07 assign (resid 545 and name HN) (resid 546 and name HA1) 4.0 2.2 1.0 ! A.195 at 2.47e+06 assign (resid 545 and name HB1) (resid 546 and name HA1) 4.0 2.2 1.0 ! A.196 at -3.10e+06 assign (resid 545 and name HB2) (resid 546 and name HA1) 3.0 1.2 1.3 ! A.197 at -7.63e+06 assign (resid 545 and name HG1) (resid 546 and name HA1) 4.0 2.2 2.2 ! A.198 at -4.06e+06 assign (resid 545 and name HB1) (resid 546 and name HN) 4.0 2.2 1.0 ! A.205 at 2.40e+06 assign (resid 545 and name HB2) (resid 546 and name HN) 4.0 2.2 1.0 ! A.206 at 2.02e+06 assign (resid 545 and name HG1) (resid 546 and name HN) 4.0 2.2 1.0 ! A.207 at 2.48e+06 ! G546 assign (resid 546 and name HA1) (resid 547 and name HN) 3.0 1.2 0.5 ! A.200 at -1.19e+07 assign (resid 546 and name HN) (resid 547 and name HB2) 4.0 2.2 2.0 ! A.209 at 9.20e+05 assign (resid 546 and name HA1) (resid 548 and name HD1#) 4.0 2.2 1.5 ! A.201 at -2.14e+06 assign (resid 546 and name HA1) (resid 555 and name HB1) 3.0 1.2 0.3 ! A.202 at -7.17e+06 assign (resid 546 and name HN) (resid 555 and name HB1) 4.0 2.2 1.0 ! A.210 at 2.53e+06 assign (resid 546 and name HA1) (resid 556 and name HB) 4.0 2.2 1.4 ! A.203 at -2.09e+06 assign (resid 546 and name HA1) (resid 556 and name HN) 4.0 2.2 1.0 ! A.675 at 3.50e+06 ! S547 assign (resid 547 and name HB1) (resid 547 and name HN) 3.0 1.2 0.9 ! A.220 at -1.54e+07 assign (resid 547 and name HB2) (resid 547 and name HN) 3.0 1.2 0.5 ! A.221 at -1.22e+07 assign (resid 547 and name HA) (resid 548 and name HB2) 4.0 2.2 1.0 ! A.214 at -5.23e+06 assign (resid 547 and name HA) (resid 548 and name HD1#) 4.0 2.2 1.5 ! A.215 at -5.42e+06 assign (resid 547 and name HA) (resid 548 and name HD2#) 4.0 2.2 1.5 ! A.216 at -2.05e+06 assign (resid 547 and name HN) (resid 548 and name HD1#) 4.0 2.2 2.5 ! A.238 at 1.11e+06 assign (resid 547 and name HA) (resid 548 and name HN) 2.5 0.7 0.4 ! A.287 at 1.20e+08 assign (resid 547 and name HB1) (resid 548 and name HN) 3.0 1.2 0.7 ! A.288 at 1.99e+07 assign (resid 547 and name HB2) (resid 548 and name HN) 3.0 1.2 1.6 ! A.289 at 1.85e+07 assign (resid 547 and name HB1) (resid 555 and name HB1) 4.0 2.2 2.3 ! A.222 at -2.90e+06 assign (resid 547 and name HB2) (resid 555 and name HB1) 4.0 2.2 1.7 ! A.223 at -2.91e+06 assign (resid 547 and name HN) (resid 555 and name HB1) 4.0 2.2 1.0 ! A.239 at 3.84e+06 assign (resid 547 and name HN) (resid 555 and name HG1) 4.0 2.2 2.0 ! A.240 at 1.32e+06 assign (resid 547 and name HB1) (resid 556 and name HB) 3.0 1.2 0.3 ! A.224 at -1.82e+07 assign (resid 547 and name HB1) (resid 556 and name HD1#) 3.0 1.2 0.8 ! A.226 at -7.84e+06 assign (resid 547 and name HB1) (resid 556 and name HG2#) 4.0 2.2 1.5 ! A.228 at -2.74e+06 assign (resid 547 and name HB2) (resid 556 and name HB) 3.0 1.2 0.3 ! A.225 at -1.45e+07 assign (resid 547 and name HB2) (resid 556 and name HD1#) 3.0 1.2 0.8 ! A.227 at -6.77e+06 assign (resid 547 and name HB2) (resid 556 and name HG2#) 4.0 2.2 1.5 ! A.229 at -2.67e+06 assign (resid 547 and name HN) (resid 556 and name HB) 4.0 2.2 1.0 ! A.241 at 2.89e+06 assign (resid 547 and name HB1) (resid 556 and name HN) 4.0 2.2 1.0 ! A.676 at 4.04e+06 assign (resid 547 and name HB2) (resid 556 and name HN) 4.0 2.2 1.0 ! A.677 at 3.88e+06 assign (resid 547 and name HA) (resid 567 and name HE1) 4.0 2.2 1.7 ! A.217 at -4.47e+06 assign (resid 547 and name HB1) (resid 567 and name HE1) 4.0 2.2 1.0 ! A.230 at -3.57e+06 assign (resid 547 and name HB1) (resid 567 and name HG1) 4.0 2.2 1.0 ! A.232 at -4.51e+06 assign (resid 547 and name HB2) (resid 567 and name HE1) 4.0 2.2 1.0 ! A.231 at -2.07e+06 assign (resid 547 and name HB2) (resid 567 and name HG1) 4.0 2.2 1.0 ! A.233 at -2.27e+06 assign (resid 547 and name HB1) (resid 567 and name HD1) 4.0 2.2 1.0 ! A.1035 at -3.85e+06 ! L548 assign (resid 548 and name HA) (resid 548 and name HD1#) 3.0 1.2 0.8 ! A.243 at -2.96e+07 assign (resid 548 and name HA) (resid 548 and name HD2#) 3.0 1.2 0.8 ! A.244 at -7.21e+06 assign (resid 548 and name HA) (resid 548 and name HG) 3.0 1.2 0.3 ! A.245 at -1.84e+07 assign (resid 548 and name HB1) (resid 548 and name HD1#) 3.0 1.2 0.8 ! A.252 at -1.26e+07 assign (resid 548 and name HB1) (resid 548 and name HD2#) 3.0 1.2 0.8 ! A.254 at -2.25e+07 assign (resid 548 and name HB1) (resid 548 and name HN) 3.0 1.2 0.5 ! A.257 at -1.28e+07 assign (resid 548 and name HB2) (resid 548 and name HD1#) 3.0 1.2 0.8 ! A.253 at -1.66e+07 assign (resid 548 and name HB2) (resid 548 and name HD2#) 3.0 1.2 0.8 ! A.255 at -1.55e+07 assign (resid 548 and name HB2) (resid 548 and name HN) 3.0 1.2 0.5 ! A.258 at -9.11e+06 assign (resid 548 and name HD1#) (resid 548 and name HN) 3.0 1.2 1.0 ! A.265 at -2.02e+07 assign (resid 548 and name HD2#) (resid 548 and name HN) 3.0 1.2 1.0 ! A.275 at -7.48e+06 assign (resid 548 and name HG) (resid 548 and name HN) 3.0 1.2 1.0 ! A.285 at -1.47e+07 assign (resid 548 and name HA) (resid 549 and name HN) 2.5 0.7 0.4 ! A.331 at 9.30e+07 assign (resid 548 and name HB1) (resid 549 and name HN) 3.0 1.2 0.5 ! A.332 at 1.86e+07 assign (resid 548 and name HB2) (resid 549 and name HN) 3.0 1.2 1.2 ! A.260 at -7.05e+06 assign (resid 548 and name HD1#) (resid 549 and name HN) 3.0 1.2 1.2 ! A.266 at -1.34e+07 assign (resid 548 and name HD2#) (resid 549 and name HN) 4.0 2.2 1.5 ! A.276 at -4.29e+06 assign (resid 548 and name HA) (resid 549 and name HB1) 4.0 2.2 1.0 ! A.305 at -4.18e+06 assign (resid 548 and name HA) (resid 549 and name HB2) 4.0 2.2 1.0 ! A.306 at -4.19e+06 assign (resid 548 and name HB1) (resid 550 and name HA) 4.0 2.2 1.0 ! A.348 at -5.56e+06 assign (resid 548 and name HB2) (resid 550 and name HA) 4.0 2.2 1.3 ! A.349 at -3.39e+06 assign (resid 548 and name HB1) (resid 551 and name HN) 4.0 2.2 1.4 ! A.402 at 2.73e+06 !assign (resid 548 and name HD1#) (resid 552 and name HN) 4.0 2.2 2.9 ! A.431 at 1.54e+06 assign (resid 548 and name HB1) (resid 553 and name HA) 3.0 1.2 0.3 ! A.261 at -6.27e+06 assign (resid 548 and name HB2) (resid 553 and name HA) 3.0 1.2 0.7 ! A.262 at -8.92e+06 assign (resid 548 and name HD1#) (resid 553 and name HA) 3.0 1.2 1.5 ! A.445 at -6.28e+06 assign (resid 548 and name HD2#) (resid 553 and name HA) 3.0 1.2 0.8 ! A.277 at -9.54e+06 assign (resid 548 and name HD2#) (resid 553 and name HB1) 3.0 1.2 0.8 ! A.278 at -1.35e+07 assign (resid 548 and name HD2#) (resid 553 and name HG1) 3.0 1.2 0.8 ! A.279 at -8.22e+06 assign (resid 548 and name HG) (resid 553 and name HA) 4.0 2.2 2.0 ! A.286 at -1.68e+06 assign (resid 548 and name HD1#) (resid 553 and name HB1) 4.0 2.2 2.5 ! A.452 at -1.23e+06 assign (resid 548 and name HD2#) (resid 553 and name HG2) 4.0 2.2 1.5 ! A.458 at -4.40e+06 !assign (resid 548 and name HB1) (resid 553 and name HE21) 4.0 2.2 1.0 ! A.483 at 1.85e+06 !assign (resid 548 and name HD2#) (resid 553 and name HE21) 4.0 2.2 1.5 ! A.486 at 2.13e+06 !assign (resid 548 and name HB1) (resid 553 and name HE22) 4.0 2.2 1.0 ! A.484 at 2.27e+06 !assign (resid 548 and name HD1#) (resid 553 and name HE22) 4.0 2.2 2.8 ! A.485 at 9.98e+05 !assign (resid 548 and name HD2#) (resid 553 and name HE22) 4.0 2.2 2.5 ! A.487 at 1.37e+06 assign (resid 548 and name HB1) (resid 553 and name HN) 3.0 1.2 0.5 ! A.467 at 6.96e+06 assign (resid 548 and name HB2) (resid 553 and name HN) 4.0 2.2 1.3 ! A.468 at 4.66e+06 assign (resid 548 and name HD1#) (resid 553 and name HN) 4.0 2.2 1.8 ! A.469 at 3.32e+06 assign (resid 548 and name HD2#) (resid 553 and name HN) 4.0 2.2 1.5 ! A.470 at 1.88e+06 assign (resid 548 and name HD1#) (resid 554 and name HA) 3.0 1.2 0.8 ! A.268 at -1.46e+07 assign (resid 548 and name HD2#) (resid 554 and name HA) 4.0 2.2 1.5 ! A.280 at -4.99e+06 assign (resid 548 and name HA) (resid 554 and name HN) 4.0 2.2 1.0 ! A.539 at 2.66e+06 assign (resid 548 and name HB2) (resid 554 and name HN) 3.0 1.2 1.8 ! A.540 at 6.23e+06 assign (resid 548 and name HD1#) (resid 554 and name HN) 3.0 1.2 1.3 ! A.541 at 6.89e+06 assign (resid 548 and name HD2#) (resid 554 and name HN) 4.0 2.2 1.5 ! A.542 at 4.58e+06 assign (resid 548 and name HD1#) (resid 555 and name HD1) 3.0 1.2 0.8 ! A.269 at -9.72e+06 assign (resid 548 and name HD1#) (resid 555 and name HD2) 3.0 1.2 0.8 ! A.270 at -1.18e+07 assign (resid 548 and name HD1#) (resid 555 and name HG1) 3.0 1.2 0.8 ! A.271 at -1.60e+07 assign (resid 548 and name HD1#) (resid 555 and name HG2) 3.0 1.2 1.1 ! A.272 at -9.89e+06 assign (resid 548 and name HA) (resid 555 and name HA) 3.0 1.2 0.3 ! A.561 at -3.76e+07 assign (resid 548 and name HD1#) (resid 555 and name HA) 3.0 1.2 0.8 ! A.562 at -2.98e+07 assign (resid 548 and name HG) (resid 555 and name HA) 3.0 1.2 0.7 ! A.563 at -7.94e+06 assign (resid 548 and name HD1#) (resid 555 and name HB1) 3.0 1.2 0.8 ! A.573 at -6.98e+06 assign (resid 548 and name HD1#) (resid 555 and name HB2) 4.0 2.2 1.5 ! A.574 at -4.20e+06 assign (resid 548 and name HA) (resid 556 and name HD1#) 4.0 2.2 1.5 ! A.248 at -2.04e+06 assign (resid 548 and name HA) (resid 556 and name HG12) 4.0 2.2 1.0 ! A.249 at -2.48e+06 assign (resid 548 and name HA) (resid 556 and name HN) 3.0 1.2 0.8 ! A.678 at 2.38e+07 ! C549 assign (resid 549 and name HB1) (resid 549 and name HN) 3.0 1.2 0.5 ! A.311 at -1.71e+07 assign (resid 549 and name HB2) (resid 549 and name HN) 3.0 1.2 0.5 ! A.312 at -1.53e+07 assign (resid 549 and name HA) (resid 550 and name HB2) 3.0 1.2 1.7 ! A.298 at -8.25e+06 assign (resid 549 and name HA) (resid 550 and name HN) 2.5 0.7 0.4 ! A.374 at 1.09e+08 assign (resid 549 and name HB1) (resid 550 and name HN) 4.0 2.2 2.0 ! A.313 at -1.62e+06 assign (resid 549 and name HB2) (resid 550 and name HN) 3.0 1.2 1.1 ! A.375 at 1.24e+07 assign (resid 549 and name HN) (resid 550 and name HN) 3.0 1.2 1.4 ! A.376 at 6.50e+06 assign (resid 549 and name HN) (resid 550 and name HA) 4.0 2.2 1.0 ! A.350 at -1.92e+06 assign (resid 549 and name HB1) (resid 551 and name HN) 4.0 2.2 2.0 ! A.315 at -1.67e+06 assign (resid 549 and name HB2) (resid 551 and name HN) 4.0 2.2 2.7 ! A.316 at -2.17e+06 assign (resid 549 and name HB1) (resid 552 and name HN) 3.0 1.2 0.7 ! A.432 at 1.76e+07 assign (resid 549 and name HB1) (resid 553 and name HA) 4.0 2.2 2.0 ! A.318 at -1.57e+06 assign (resid 549 and name HB1) (resid 553 and name HN) 3.0 1.2 1.0 ! A.471 at 1.42e+07 assign (resid 549 and name HN) (resid 553 and name HA) 4.0 2.2 1.0 ! A.340 at 2.77e+06 assign (resid 549 and name HN) (resid 553 and name HN) 4.0 2.2 2.0 ! A.341 at 1.67e+06 assign (resid 549 and name HN) (resid 554 and name HA) 4.0 2.2 1.0 ! A.342 at 2.06e+06 assign (resid 549 and name HB1) (resid 554 and name HN) 3.0 1.2 0.5 ! A.543 at 2.42e+07 assign (resid 549 and name HN) (resid 555 and name HA) 4.0 2.2 1.0 ! A.564 at -4.77e+06 assign (resid 549 and name HA) (resid 556 and name HD1#) 3.0 1.2 0.8 ! A.300 at -3.38e+07 assign (resid 549 and name HA) (resid 556 and name HG11) 3.0 1.2 0.5 ! A.301 at -5.92e+06 assign (resid 549 and name HA) (resid 556 and name HG12) 4.0 2.2 1.0 ! A.302 at -3.23e+06 assign (resid 549 and name HB1) (resid 556 and name HD1#) 3.0 1.2 0.8 ! A.320 at -6.43e+06 assign (resid 549 and name HB1) (resid 556 and name HG11) 4.0 2.2 1.0 ! A.322 at -4.33e+06 assign (resid 549 and name HB1) (resid 556 and name HG12) 4.0 2.2 1.0 ! A.324 at -3.45e+06 assign (resid 549 and name HB1) (resid 556 and name HG2#) 4.0 2.2 2.5 ! A.326 at -1.77e+06 assign (resid 549 and name HB2) (resid 556 and name HD1#) 3.0 1.2 0.8 ! A.321 at -6.23e+06 assign (resid 549 and name HB2) (resid 556 and name HG11) 3.0 1.2 0.3 ! A.323 at -7.46e+06 assign (resid 549 and name HB2) (resid 556 and name HG12) 3.0 1.2 0.3 ! A.325 at -5.95e+06 assign (resid 549 and name HN) (resid 556 and name HD1#) 3.0 1.2 1.0 ! A.343 at 1.48e+07 assign (resid 549 and name HN) (resid 556 and name HG11) 3.0 1.2 0.5 ! A.344 at 1.11e+07 assign (resid 549 and name HN) (resid 556 and name HG12) 3.0 1.2 1.1 ! A.345 at 7.19e+06 assign (resid 549 and name HB2) (resid 556 and name HA) 4.0 2.2 1.0 ! A.617 at -2.77e+06 assign (resid 549 and name HA) (resid 568 and name HA) 3.0 1.2 0.3 ! A.303 at -9.49e+06 assign (resid 549 and name HB1) (resid 568 and name HA) 4.0 2.2 1.0 ! A.1071 at -3.86e+06 assign (resid 549 and name HB2) (resid 568 and name HA) 4.0 2.2 1.0 ! A.328 at -2.02e+06 assign (resid 549 and name HN) (resid 568 and name HA) 4.0 2.2 1.0 ! A.346 at 2.03e+06 assign (resid 549 and name HA) (resid 568 and name HN) 4.0 2.2 1.0 ! A.1108 at 5.41e+06 assign (resid 549 and name HA) (resid 569 and name HN) 3.0 1.2 0.5 ! A.1140 at 1.03e+07 assign (resid 549 and name HB1) (resid 569 and name HN) 4.0 2.2 1.0 ! A.329 at -2.44e+06 assign (resid 549 and name HB2) (resid 569 and name HN) 4.0 2.2 1.0 ! A.330 at -4.28e+06 assign (resid 549 and name HN) (resid 569 and name HN) 4.0 2.2 1.0 ! A.347 at 2.94e+06 ! S550 assign (resid 550 and name HB1) (resid 550 and name HN) 3.0 1.2 0.7 ! A.363 at -1.18e+07 assign (resid 550 and name HB2) (resid 550 and name HN) 3.0 1.2 0.5 ! A.364 at -2.38e+07 assign (resid 550 and name HA) (resid 551 and name HN) 3.0 1.2 0.5 ! A.354 at -6.70e+06 assign (resid 550 and name HB1) (resid 551 and name HN) 3.0 1.2 0.5 ! A.404 at 1.32e+07 assign (resid 550 and name HB2) (resid 551 and name HN) 3.0 1.2 1.2 ! A.405 at 1.08e+07 assign (resid 550 and name HN) (resid 551 and name HA2) 4.0 2.2 2.3 ! A.380 at 3.23e+06 assign (resid 550 and name HN) (resid 551 and name HN) 3.0 1.2 1.5 ! A.406 at 1.42e+07 assign (resid 550 and name HA) (resid 552 and name HN) 4.0 2.2 1.0 ! A.355 at -1.81e+06 assign (resid 550 and name HN) (resid 552 and name HN) 4.0 2.2 1.0 ! A.382 at 3.10e+06 assign (resid 550 and name HA) (resid 553 and name HG1) 4.0 2.2 1.0 ! A.356 at -4.52e+06 assign (resid 550 and name HA) (resid 553 and name HN) 4.0 2.2 1.0 ! A.357 at -4.04e+06 assign (resid 550 and name HN) (resid 553 and name HN) 4.0 2.2 2.0 ! A.383 at 1.65e+06 assign (resid 550 and name HA) (resid 553 and name HE21) 4.0 2.2 1.0 ! A.488 at 6.66e+06 !assign (resid 550 and name HB1) (resid 553 and name HE21) 4.0 2.2 1.0 ! A.490 at 1.96e+06 !assign (resid 550 and name HB2) (resid 553 and name HE21) 4.0 2.2 2.0 ! A.492 at 1.41e+06 assign (resid 550 and name HA) (resid 553 and name HE22) 4.0 2.2 1.0 ! A.489 at 1.13e+07 !assign (resid 550 and name HB1) (resid 553 and name HE22) 4.0 2.2 2.0 ! A.491 at 1.54e+06 !assign (resid 550 and name HB2) (resid 553 and name HE22) 4.0 2.2 2.0 ! A.493 at 1.29e+06 assign (resid 550 and name HA) (resid 556 and name HD1#) 4.0 2.2 1.8 ! A.358 at -1.82e+06 assign (resid 550 and name HB2) (resid 556 and name HD1#) 4.0 2.2 1.7 ! A.367 at -3.12e+06 assign (resid 550 and name HN) (resid 556 and name HD1#) 3.0 1.2 1.0 ! A.384 at 2.31e+07 assign (resid 550 and name HN) (resid 556 and name HG11) 4.0 2.2 1.6 ! A.385 at 3.27e+06 assign (resid 550 and name HN) (resid 556 and name HG12) 4.0 2.2 2.0 ! A.386 at 1.73e+06 assign (resid 550 and name HA) (resid 566 and name HB1) 4.0 2.2 1.0 ! A.359 at -2.07e+06 assign (resid 550 and name HB1) (resid 566 and name HB1) 3.0 1.2 0.3 ! A.368 at -1.35e+07 assign (resid 550 and name HB1) (resid 566 and name HD2) 3.0 1.2 0.3 ! A.370 at -1.04e+07 assign (resid 550 and name HB2) (resid 566 and name HB1) 3.0 1.2 0.3 ! A.369 at -1.12e+07 assign (resid 550 and name HB2) (resid 566 and name HD2) 3.0 1.2 0.3 ! A.371 at -1.28e+07 assign (resid 550 and name HN) (resid 566 and name HB1) 4.0 2.2 1.0 ! A.387 at 3.79e+06 assign (resid 550 and name HB1) (resid 566 and name HA) 4.0 2.2 1.0 ! A.977 at -2.13e+06 assign (resid 550 and name HB1) (resid 566 and name HD1) 4.0 2.2 1.0 ! A.990 at -3.75e+06 assign (resid 550 and name HB1) (resid 567 and name HN) 4.0 2.2 1.0 ! A.372 at -3.64e+06 assign (resid 550 and name HB2) (resid 567 and name HN) 3.0 1.2 1.0 ! A.1057 at 1.37e+07 assign (resid 550 and name HN) (resid 567 and name HB1) 3.0 1.2 0.8 ! A.388 at 6.36e+06 assign (resid 550 and name HN) (resid 567 and name HN) 3.0 1.2 0.5 ! A.1058 at 7.01e+06 assign (resid 550 and name HN) (resid 568 and name HA) 3.0 1.2 0.5 ! A.389 at 1.93e+07 assign (resid 550 and name HB2) (resid 568 and name HA) 4.0 2.2 1.0 ! A.1073 at -2.33e+06 assign (resid 550 and name HN) (resid 569 and name HN) 4.0 2.2 1.0 ! A.390 at 2.61e+06 ! G551 assign (resid 551 and name HA1) (resid 552 and name HN) 3.0 1.2 0.5 ! A.395 at -9.57e+06 assign (resid 551 and name HA2) (resid 552 and name HN) 3.0 1.2 0.5 ! A.396 at -8.55e+06 assign (resid 551 and name HN) (resid 552 and name HA) 4.0 2.2 2.0 ! A.409 at 9.18e+05 assign (resid 551 and name HN) (resid 552 and name HN) 3.0 1.2 0.5 ! A.410 at 4.23e+07 assign (resid 551 and name HN) (resid 552 and name HB2) 4.0 2.2 1.0 ! A.419 at -2.17e+06 assign (resid 551 and name HA1) (resid 553 and name HN) 4.0 2.2 1.0 ! A.397 at -2.57e+06 assign (resid 551 and name HN) (resid 553 and name HG1) 4.0 2.2 1.0 ! A.411 at 7.91e+06 assign (resid 551 and name HN) (resid 553 and name HN) 3.0 1.2 0.5 ! A.412 at 1.21e+07 assign (resid 551 and name HA1) (resid 553 and name HE21) 4.0 2.2 2.0 ! A.494 at 1.07e+06 assign (resid 551 and name HA1) (resid 553 and name HE22) 4.0 2.2 1.0 ! A.495 at 2.11e+06 assign (resid 551 and name HN) (resid 554 and name HN) 4.0 2.2 2.0 ! A.413 at 9.88e+05 assign (resid 551 and name HN) (resid 556 and name HD1#) 4.0 2.2 2.9 ! A.414 at 3.72e+06 !assign (resid 551 and name HN) (resid 566 and name HB1) 4.0 2.2 2.0 ! A.415 at 1.55e+06 assign (resid 551 and name HN) (resid 568 and name HA) 4.0 2.2 1.9 ! A.416 at 5.70e+06 assign (resid 551 and name HA1) (resid 572 and name HB1) 4.0 2.2 1.0 ! A.398 at -4.64e+06 assign (resid 551 and name HA1) (resid 572 and name HB2) 4.0 2.2 1.5 ! A.400 at -3.90e+06 assign (resid 551 and name HA2) (resid 572 and name HB1) 4.0 2.2 2.4 ! A.399 at -3.59e+06 !assign (resid 551 and name HA2) (resid 572 and name HB2) 4.0 2.2 2.8 ! A.401 at -4.07e+06 !assign (resid 551 and name HN) (resid 572 and name HB1) 4.0 2.2 3.0 ! A.417 at 4.89e+06 !! removed !assign (resid 551 and name HN) (resid 572 and name HB2) 4.0 2.2 2.9 ! A.418 at 4.58e+06 ! C552 assign (resid 552 and name HB1) (resid 552 and name HN) 3.0 1.2 0.5 ! A.424 at -5.81e+06 assign (resid 552 and name HB2) (resid 552 and name HN) 3.0 1.2 0.5 ! A.425 at -8.84e+06 assign (resid 552 and name HB1) (resid 553 and name HN) 4.0 2.2 1.0 ! A.476 at 4.92e+06 assign (resid 552 and name HB2) (resid 553 and name HN) 4.0 2.2 1.0 ! A.427 at -4.27e+06 assign (resid 552 and name HN) (resid 553 and name HN) 2.5 0.7 0.4 ! A.440 at 4.72e+07 assign (resid 552 and name HN) (resid 553 and name HA) 3.0 1.2 1.3 ! A.447 at -7.07e+06 assign (resid 552 and name HA) (resid 553 and name HN) 3.0 1.2 0.5 ! A.475 at 1.12e+07 assign (resid 552 and name HB1) (resid 554 and name HD1) 4.0 2.2 1.5 ! A.428 at -2.69e+06 assign (resid 552 and name HB1) (resid 554 and name HG2) 4.0 2.2 1.0 ! A.429 at -2.67e+06 assign (resid 552 and name HB1) (resid 554 and name HN) 4.0 2.2 1.0 ! A.430 at -1.89e+06 assign (resid 552 and name HN) (resid 554 and name HN) 3.0 1.2 0.9 ! A.546 at 6.21e+06 assign (resid 552 and name HA) (resid 554 and name HN) 4.0 2.2 1.0 ! A.544 at 2.43e+06 assign (resid 552 and name HN) (resid 556 and name HD1#) 4.0 2.2 1.8 ! A.442 at 1.90e+06 assign (resid 552 and name HN) (resid 568 and name HA) 4.0 2.2 1.0 ! A.443 at 1.82e+06 !assign (resid 552 and name HN) (resid 569 and name HB1) 4.0 2.2 2.9 ! A.1126 at -2.09e+06 assign (resid 552 and name HN) (resid 569 and name HB2) 4.0 2.2 2.3 ! A.1127 at -4.78e+06 assign (resid 552 and name HN) (resid 569 and name HN) 4.0 2.2 1.2 ! A.1142 at 3.41e+06 assign (resid 552 and name HN) (resid 572 and name HB1) 4.0 2.2 2.0 ! A.1268 at -1.48e+06 assign (resid 552 and name HN) (resid 572 and name HB2) 4.0 2.2 2.0 ! A.1269 at -1.25e+06 ! Q553 assign (resid 553 and name HA) (resid 553 and name HG1) 2.5 0.7 0.2 ! A.448 at -5.28e+07 assign (resid 553 and name HA) (resid 553 and name HG2) 3.0 1.2 0.7 ! A.449 at -1.85e+07 assign (resid 553 and name HB1) (resid 553 and name HN) 4.0 2.2 1.0 ! A.456 at -4.70e+06 assign (resid 553 and name HG1) (resid 553 and name HE21) 3.0 1.2 0.3 ! A.461 at -9.37e+06 assign (resid 553 and name HG1) (resid 553 and name HE22) 4.0 2.2 1.0 ! A.463 at -3.03e+06 assign (resid 553 and name HG1) (resid 553 and name HN) 3.0 1.2 0.9 ! A.465 at -9.08e+06 assign (resid 553 and name HG2) (resid 553 and name HE21) 3.0 1.2 0.6 ! A.462 at -8.83e+06 assign (resid 553 and name HG2) (resid 553 and name HE22) 4.0 2.2 1.0 ! A.464 at -2.49e+06 assign (resid 553 and name HG2) (resid 553 and name HN) 3.0 1.2 1.3 ! A.466 at -8.73e+06 assign (resid 553 and name HE21) (resid 553 and name HA) 4.0 2.2 1.0 ! A.496 at 3.18e+06 assign (resid 553 and name HE21) (resid 553 and name HN) 4.0 2.2 1.0 ! A.500 at 2.30e+06 assign (resid 553 and name HE22) (resid 553 and name HA) 4.0 2.2 1.0 ! A.497 at 2.27e+06 assign (resid 553 and name HE22) (resid 553 and name HN) 4.0 2.2 2.0 ! A.501 at 1.60e+06 assign (resid 553 and name HA) (resid 554 and name HN) 3.0 1.2 0.5 ! A.451 at -1.23e+07 assign (resid 553 and name HN) (resid 554 and name HN) 3.0 1.2 0.5 ! A.481 at 2.49e+07 assign (resid 553 and name HB1) (resid 554 and name HN) 3.0 1.2 1.4 ! A.548 at 1.34e+07 assign (resid 553 and name HN) (resid 556 and name HD1#) 4.0 2.2 1.9 ! A.482 at 2.01e+06 ! K554 assign (resid 554 and name HA) (resid 554 and name HD1) 3.0 1.2 0.3 ! A.506 at -1.94e+07 assign (resid 554 and name HA) (resid 554 and name HG1) 3.0 1.2 0.8 ! A.507 at -8.11e+06 assign (resid 554 and name HA) (resid 554 and name HG2) 3.0 1.2 0.3 ! A.508 at -1.55e+07 assign (resid 554 and name HB1) (resid 554 and name HN) 4.0 2.2 1.0 ! A.517 at -4.07e+06 assign (resid 554 and name HD1) (resid 554 and name HN) 4.0 2.2 1.0 ! A.524 at -4.03e+06 assign (resid 554 and name HD2) (resid 554 and name HA) 3.0 1.2 0.3 ! A.523 at -1.28e+07 assign (resid 554 and name HD2) (resid 554 and name HN) 4.0 2.2 1.0 ! A.525 at -3.18e+06 assign (resid 554 and name HG1) (resid 554 and name HN) 4.0 2.2 1.0 ! A.533 at -5.35e+06 assign (resid 554 and name HG2) (resid 554 and name HN) 3.0 1.2 0.5 ! A.534 at -5.72e+06 assign (resid 554 and name HN) (resid 554 and name HB2) 3.0 1.2 0.5 ! A.552 at 2.99e+07 assign (resid 554 and name HA) (resid 555 and name HD1) 3.0 1.2 0.3 ! A.510 at -3.41e+07 assign (resid 554 and name HA) (resid 555 and name HD2) 2.5 0.7 0.2 ! A.511 at -4.66e+07 assign (resid 554 and name HB1) (resid 555 and name HD1) 3.0 1.2 0.9 ! A.518 at -1.31e+07 assign (resid 554 and name HB1) (resid 555 and name HD2) 3.0 1.2 0.3 ! A.520 at -1.12e+07 assign (resid 554 and name HB2) (resid 555 and name HD1) 3.0 1.2 1.8 ! A.519 at -1.16e+07 assign (resid 554 and name HB2) (resid 555 and name HD2) 4.0 2.2 1.0 ! A.521 at -5.37e+06 assign (resid 554 and name HD2) (resid 555 and name HD1) 4.0 2.2 1.0 ! A.526 at -3.35e+06 assign (resid 554 and name HG1) (resid 555 and name HD1) 4.0 2.2 1.6 ! A.535 at -3.25e+06 assign (resid 554 and name HG1) (resid 555 and name HD2) 4.0 2.2 1.0 ! A.537 at -2.69e+06 assign (resid 554 and name HG2) (resid 555 and name HD1) 4.0 2.2 1.0 ! A.536 at -3.54e+06 assign (resid 554 and name HG2) (resid 555 and name HD2) 4.0 2.2 1.0 ! A.538 at -4.28e+06 assign (resid 554 and name HN) (resid 555 and name HA) 4.0 2.2 1.0 ! A.556 at 2.21e+06 assign (resid 554 and name HN) (resid 555 and name HD1) 3.0 1.2 1.8 ! A.557 at 3.87e+07 assign (resid 554 and name HN) (resid 555 and name HD2) 4.0 2.2 1.0 ! A.558 at 3.02e+06 assign (resid 554 and name HA) (resid 555 and name HG1) 4.0 2.2 1.0 ! A.602 at -4.25e+06 assign (resid 554 and name HA) (resid 555 and name HG2) 4.0 2.2 1.0 ! A.603 at -5.09e+06 assign (resid 554 and name HN) (resid 556 and name HD1#) 4.0 2.2 1.5 ! A.559 at 1.88e+06 assign (resid 554 and name HN) (resid 556 and name HG12) 4.0 2.2 2.0 ! A.560 at 1.34e+06 ! P555 assign (resid 555 and name HA) (resid 555 and name HD1) 4.0 2.2 1.0 ! A.567 at -4.37e+06 assign (resid 555 and name HA) (resid 555 and name HD2) 4.0 2.2 1.0 ! A.568 at -3.70e+06 assign (resid 555 and name HA) (resid 555 and name HG1) 3.0 1.2 0.3 ! A.569 at -8.46e+06 assign (resid 555 and name HA) (resid 555 and name HG2) 3.0 1.2 0.9 ! A.570 at -8.41e+06 assign (resid 555 and name HB1) (resid 555 and name HD1) 3.0 1.2 1.1 ! A.579 at -1.28e+07 assign (resid 555 and name HB1) (resid 555 and name HD2) 3.0 1.2 1.2 ! A.581 at -1.32e+07 assign (resid 555 and name HB2) (resid 555 and name HD1) 3.0 1.2 1.1 ! A.580 at -7.87e+06 assign (resid 555 and name HA) (resid 556 and name HG11) 3.0 1.2 0.6 ! A.571 at -6.23e+06 assign (resid 555 and name HA) (resid 556 and name HG12) 4.0 2.2 1.3 ! A.572 at -2.91e+06 assign (resid 555 and name HB1) (resid 556 and name HN) 3.0 1.2 0.5 ! A.582 at -8.02e+06 assign (resid 555 and name HB2) (resid 556 and name HN) 3.0 1.2 0.5 ! A.681 at 1.62e+07 assign (resid 555 and name HA) (resid 556 and name HA) 4.0 2.2 1.0 ! A.618 at -3.01e+06 assign (resid 555 and name HA) (resid 556 and name HB) 4.0 2.2 1.0 ! A.626 at -4.62e+06 assign (resid 555 and name HB1) (resid 556 and name HB) 4.0 2.2 1.3 ! A.627 at -6.43e+06 assign (resid 555 and name HA) (resid 556 and name HN) 2.5 0.7 0.4 ! A.679 at 1.25e+08 assign (resid 555 and name HG2) (resid 556 and name HN) 4.0 2.2 1.3 ! A.682 at 3.77e+06 assign (resid 555 and name HB1) (resid 557 and name HG2#) 3.0 1.2 1.0 ! A.584 at -7.31e+06 assign (resid 555 and name HB2) (resid 557 and name HG2#) 3.0 1.2 0.8 ! A.585 at -2.56e+07 assign (resid 555 and name HG1) (resid 557 and name HG2#) 4.0 2.2 2.5 ! A.615 at -1.67e+06 assign (resid 555 and name HG2) (resid 557 and name HG2#) 4.0 2.2 1.5 ! A.616 at -2.26e+06 ! I556 assign (resid 556 and name HA) (resid 556 and name HD1#) 4.0 2.2 1.5 ! A.620 at -4.98e+06 assign (resid 556 and name HA) (resid 556 and name HG11) 3.0 1.2 0.3 ! A.621 at -8.54e+06 assign (resid 556 and name HA) (resid 556 and name HG12) 3.0 1.2 0.3 ! A.622 at -1.21e+07 assign (resid 556 and name HA) (resid 556 and name HG2#) 3.0 1.2 0.8 ! A.623 at -2.10e+07 assign (resid 556 and name HB) (resid 556 and name HD1#) 3.0 1.2 0.8 ! A.629 at -2.34e+07 assign (resid 556 and name HB) (resid 556 and name HN) 3.0 1.2 0.5 ! A.633 at -2.11e+07 assign (resid 556 and name HD1#) (resid 556 and name HN) 3.0 1.2 1.0 ! A.641 at -1.21e+07 assign (resid 556 and name HG11) (resid 556 and name HN) 3.0 1.2 0.5 ! A.658 at -9.79e+06 assign (resid 556 and name HG12) (resid 556 and name HN) 4.0 2.2 1.0 ! A.659 at -5.35e+06 assign (resid 556 and name HG2#) (resid 556 and name HN) 3.0 1.2 1.0 ! A.665 at -1.05e+07 assign (resid 556 and name HG2#) (resid 557 and name HA) 3.0 1.2 1.1 ! A.666 at -6.50e+06 assign (resid 556 and name HG2#) (resid 557 and name HB) 4.0 2.2 2.5 ! A.693 at -1.68e+06 assign (resid 556 and name HG2#) (resid 558 and name HN) 3.0 1.2 1.0 ! A.707 at 9.56e+06 assign (resid 556 and name HG2#) (resid 558 and name HA1) 4.0 2.2 2.5 ! A.698 at -8.34e+05 assign (resid 556 and name HD1#) (resid 560 and name HA) 3.0 1.2 0.8 ! A.739 at -8.25e+06 assign (resid 556 and name HG2#) (resid 560 and name HA) 3.0 1.2 0.8 ! A.668 at -1.20e+07 assign (resid 556 and name HG2#) (resid 560 and name HN) 4.0 2.2 1.5 ! A.669 at -3.52e+06 assign (resid 556 and name HD1#) (resid 560 and name HB1) 3.0 1.2 0.8 ! A.749 at -1.09e+07 assign (resid 556 and name HG2#) (resid 560 and name HB1) 3.0 1.2 0.8 ! A.751 at -2.31e+07 assign (resid 556 and name HB) (resid 560 and name HB2) 4.0 2.2 1.0 ! A.748 at -3.27e+06 assign (resid 556 and name HD1#) (resid 560 and name HB2) 3.0 1.2 0.8 ! A.750 at -1.15e+07 assign (resid 556 and name HG2#) (resid 560 and name HB2) 3.0 1.2 0.8 ! A.752 at -1.76e+07 assign (resid 556 and name HD1#) (resid 560 and name HN) 4.0 2.2 1.5 ! A.763 at 2.20e+06 assign (resid 556 and name HG2#) (resid 561 and name HN) 4.0 2.2 1.5 ! A.670 at -5.23e+06 assign (resid 556 and name HD1#) (resid 567 and name HA) 3.0 1.2 1.0 ! A.1016 at -7.69e+06 assign (resid 556 and name HD1#) (resid 567 and name HB1) 4.0 2.2 1.5 ! A.1027 at -5.34e+06 assign (resid 556 and name HD1#) (resid 567 and name HB2) 4.0 2.2 1.5 ! A.1028 at -5.54e+06 assign (resid 556 and name HD1#) (resid 567 and name HD1) 4.0 2.2 1.5 ! A.1036 at -2.18e+06 assign (resid 556 and name HD1#) (resid 567 and name HD2) 4.0 2.2 1.5 ! A.1037 at -2.99e+06 assign (resid 556 and name HD1#) (resid 567 and name HE1) 4.0 2.2 1.5 ! A.1045 at -3.73e+06 assign (resid 556 and name HD1#) (resid 567 and name HG1) 4.0 2.2 1.5 ! A.1051 at -2.86e+06 assign (resid 556 and name HD1#) (resid 567 and name HN) 3.0 1.2 1.5 ! A.1059 at 6.00e+06 assign (resid 556 and name HD1#) (resid 568 and name HA) 3.0 1.2 0.8 ! A.644 at -1.30e+07 assign (resid 556 and name HG11) (resid 568 and name HA) 4.0 2.2 1.4 ! A.1075 at -2.33e+06 assign (resid 556 and name HG12) (resid 568 and name HA) 4.0 2.2 2.0 ! A.1076 at -1.79e+06 assign (resid 556 and name HG2#) (resid 568 and name HA) 4.0 2.2 2.5 ! A.1077 at -1.63e+06 assign (resid 556 and name HD1#) (resid 568 and name HN) 3.0 1.2 1.0 ! A.1109 at 2.44e+07 assign (resid 556 and name HG2#) (resid 568 and name HN) 4.0 2.2 1.5 ! A.1110 at 3.55e+06 assign (resid 556 and name HD1#) (resid 569 and name HA) 4.0 2.2 1.5 ! A.645 at -2.45e+06 assign (resid 556 and name HD1#) (resid 569 and name HN) 3.0 1.2 1.0 ! A.646 at -8.50e+06 assign (resid 556 and name HG2#) (resid 569 and name HA) 3.0 1.2 0.8 ! A.671 at -7.62e+06 assign (resid 556 and name HG2#) (resid 569 and name HN) 4.0 2.2 1.5 ! A.672 at -1.87e+06 assign (resid 556 and name HG11) (resid 569 and name HN) 4.0 2.2 1.0 ! A.1144 at 4.64e+06 assign (resid 556 and name HG12) (resid 569 and name HN) 4.0 2.2 1.0 ! A.1145 at 5.08e+06 assign (resid 556 and name HG2#) (resid 570 and name HD2) 4.0 2.2 1.5 ! A.673 at -3.74e+06 assign (resid 556 and name HG2#) (resid 570 and name HG1) 3.0 1.2 0.8 ! A.674 at -7.60e+06 assign (resid 556 and name HD1#) (resid 570 and name HD1) 4.0 2.2 1.5 ! A.1185 at -1.94e+06 assign (resid 556 and name HG2#) (resid 570 and name HD1) 4.0 2.2 2.5 ! A.1186 at -5.16e+05 ! T557 assign (resid 557 and name HA) (resid 557 and name HG2#) 2.5 0.7 0.7 ! A.691 at -7.98e+07 assign (resid 557 and name HA) (resid 558 and name HN) 3.0 1.2 0.5 ! A.692 at -9.63e+06 assign (resid 557 and name HG2#) (resid 558 and name HA1) 4.0 2.2 2.5 ! A.699 at -1.58e+06 assign (resid 557 and name HG2#) (resid 558 and name HA2) 4.0 2.2 1.7 ! A.700 at -2.78e+06 assign (resid 557 and name HB) (resid 558 and name HN) 4.0 2.2 1.0 ! A.709 at 5.54e+06 assign (resid 557 and name HG2#) (resid 558 and name HN) 4.0 2.2 1.5 ! A.710 at 5.20e+06 ! G558 assign (resid 558 and name HA1) (resid 559 and name HN) 3.0 1.2 0.5 ! A.704 at -9.94e+06 assign (resid 558 and name HA2) (resid 559 and name HN) 3.0 1.2 0.5 ! A.705 at -1.07e+07 assign (resid 558 and name HN) (resid 559 and name HN) 4.0 2.2 1.0 ! A.713 at 1.85e+06 assign (resid 558 and name HA1) (resid 570 and name HG2) 4.0 2.2 1.0 ! A.706 at -3.21e+06 assign (resid 558 and name HN) (resid 570 and name HG2) 4.0 2.2 2.3 ! A.714 at 1.96e+06 ! R559 assign (resid 559 and name HA) (resid 559 and name HD1) 3.0 1.2 0.3 ! A.716 at -7.16e+06 assign (resid 559 and name HA) (resid 559 and name HG2) 3.0 1.2 0.3 ! A.717 at -1.88e+07 assign (resid 559 and name HB1) (resid 559 and name HD1) 3.0 1.2 0.3 ! A.721 at -2.37e+07 assign (resid 559 and name HB1) (resid 559 and name HN) 3.0 1.2 0.5 ! A.723 at -1.19e+07 assign (resid 559 and name HG1) (resid 559 and name HA) 3.0 1.2 0.7 ! A.726 at -8.85e+06 assign (resid 559 and name HG1) (resid 559 and name HN) 3.0 1.2 0.5 ! A.731 at -6.07e+06 assign (resid 559 and name HG2) (resid 559 and name HN) 3.0 1.2 0.5 ! A.732 at -7.74e+06 assign (resid 559 and name HN) (resid 559 and name HD1) 4.0 2.2 1.0 ! A.737 at 3.61e+06 assign (resid 559 and name HA) (resid 560 and name HB1) 3.0 1.2 1.2 ! A.719 at -6.08e+06 assign (resid 559 and name HA) (resid 560 and name HB2) 4.0 2.2 1.5 ! A.754 at -4.73e+06 assign (resid 559 and name HA) (resid 560 and name HN) 2.5 0.7 0.4 ! A.765 at 1.05e+08 assign (resid 559 and name HB1) (resid 560 and name HN) 3.0 1.2 0.5 ! A.766 at 2.30e+07 assign (resid 559 and name HD1) (resid 560 and name HN) 4.0 2.2 1.0 ! A.767 at 2.75e+06 assign (resid 559 and name HG2) (resid 560 and name HN) 3.0 1.2 1.2 ! A.768 at 6.68e+06 assign (resid 559 and name HD1) (resid 570 and name HG1) 4.0 2.2 1.0 ! A.1209 at -1.96e+06 ! C560 assign (resid 560 and name HB1) (resid 560 and name HN) 3.0 1.2 0.5 ! A.757 at -8.95e+06 assign (resid 560 and name HB2) (resid 560 and name HN) 3.0 1.2 1.0 ! A.758 at -8.45e+06 assign (resid 560 and name HA) (resid 561 and name HA) 4.0 2.2 1.0 ! A.743 at -2.68e+06 assign (resid 560 and name HA) (resid 561 and name HG12) 4.0 2.2 1.0 ! A.744 at -2.44e+06 assign (resid 560 and name HA) (resid 561 and name HN) 2.5 0.7 0.4 ! A.745 at -6.31e+07 assign (resid 560 and name HB1) (resid 561 and name HA) 4.0 2.2 2.0 ! A.759 at -1.54e+06 assign (resid 560 and name HB1) (resid 561 and name HN) 3.0 1.2 1.2 ! A.761 at -1.78e+07 assign (resid 560 and name HB2) (resid 561 and name HA) 4.0 2.2 1.0 ! A.760 at -2.11e+06 assign (resid 560 and name HB2) (resid 561 and name HN) 3.0 1.2 0.5 ! A.762 at -1.90e+07 assign (resid 560 and name HA) (resid 561 and name HB) 4.0 2.2 1.0 ! A.780 at -3.55e+06 assign (resid 560 and name HA) (resid 561 and name HG11) 4.0 2.2 1.0 ! A.802 at -2.39e+06 assign (resid 560 and name HB2) (resid 568 and name HN) 3.0 1.2 0.8 ! A.1111 at 1.03e+07 assign (resid 560 and name HA) (resid 569 and name HA) 3.0 1.2 1.0 ! A.746 at -6.06e+06 assign (resid 560 and name HA) (resid 570 and name HD2) 3.0 1.2 0.9 ! A.747 at -1.13e+07 assign (resid 560 and name HA) (resid 570 and name HA) 4.0 2.2 2.0 ! A.1157 at -1.51e+06 assign (resid 560 and name HA) (resid 570 and name HD1) 3.0 1.2 0.3 ! A.1188 at -1.03e+07 assign (resid 560 and name HA) (resid 570 and name HG1) 4.0 2.2 1.0 ! A.1210 at -2.53e+06 assign (resid 560 and name HA) (resid 570 and name HG2) 3.0 1.2 0.9 ! A.1211 at -6.82e+06 ! I561 assign (resid 561 and name HA) (resid 561 and name HD1#) 3.0 1.2 0.8 ! A.773 at -1.57e+07 assign (resid 561 and name HA) (resid 561 and name HG11) 3.0 1.2 1.0 ! A.774 at -7.68e+06 assign (resid 561 and name HA) (resid 561 and name HG12) 3.0 1.2 0.3 ! A.775 at -1.45e+07 assign (resid 561 and name HA) (resid 561 and name HG2#) 3.0 1.2 0.8 ! A.776 at -4.09e+07 assign (resid 561 and name HB) (resid 561 and name HD1#) 3.0 1.2 0.8 ! A.782 at -9.94e+06 assign (resid 561 and name HB) (resid 561 and name HN) 3.0 1.2 0.5 ! A.785 at -2.34e+07 assign (resid 561 and name HD1#) (resid 561 and name HN) 4.0 2.2 1.5 ! A.796 at -4.43e+06 assign (resid 561 and name HG11) (resid 561 and name HN) 3.0 1.2 0.5 ! A.812 at -6.87e+06 assign (resid 561 and name HG12) (resid 561 and name HN) 3.0 1.2 0.5 ! A.813 at -7.34e+06 assign (resid 561 and name HG2#) (resid 561 and name HN) 3.0 1.2 1.0 ! A.821 at -1.29e+07 assign (resid 561 and name HA) (resid 562 and name HB) 4.0 2.2 1.0 ! A.778 at -3.07e+06 assign (resid 561 and name HB) (resid 562 and name HN) 3.0 1.2 0.7 ! A.876 at 1.76e+07 assign (resid 561 and name HD1#) (resid 562 and name HN) 3.0 1.2 1.0 ! A.877 at 7.32e+06 assign (resid 561 and name HG11) (resid 562 and name HN) 4.0 2.2 1.3 ! A.878 at 6.44e+06 assign (resid 561 and name HG2#) (resid 562 and name HA) 3.0 1.2 1.1 ! A.848 at -6.29e+06 assign (resid 561 and name HG2#) (resid 562 and name HN) 2.5 0.7 0.9 ! A.879 at 5.82e+07 assign (resid 561 and name HG2#) (resid 562 and name HB) 4.0 2.2 1.5 ! A.860 at -2.49e+06 assign (resid 561 and name HA) (resid 562 and name HN) 2.5 0.7 0.4 ! A.875 at 1.42e+08 assign (resid 561 and name HN) (resid 562 and name HN) 4.0 2.2 1.0 ! A.880 at 4.13e+06 assign (resid 561 and name HB) (resid 563 and name HA) 4.0 2.2 1.9 ! A.886 at -3.88e+06 assign (resid 561 and name HG2#) (resid 563 and name HA) 4.0 2.2 1.5 ! A.887 at -1.98e+06 assign (resid 561 and name HB) (resid 563 and name HB#) 3.0 1.2 1.6 ! A.898 at -6.92e+06 assign (resid 561 and name HG2#) (resid 563 and name HB#) 3.0 1.2 1.3 ! A.899 at -1.22e+07 assign (resid 561 and name HG2#) (resid 563 and name HN) 3.0 1.2 1.0 ! A.907 at 8.58e+06 assign (resid 561 and name HA) (resid 568 and name HB2) 4.0 2.2 1.3 ! A.779 at -3.67e+06 assign (resid 561 and name HB) (resid 568 and name HB1) 4.0 2.2 1.0 ! A.787 at -5.53e+06 assign (resid 561 and name HB) (resid 568 and name HB2) 3.0 1.2 0.3 ! A.788 at -1.16e+07 assign (resid 561 and name HG11) (resid 568 and name HB1) 4.0 2.2 2.0 ! A.815 at -1.71e+06 assign (resid 561 and name HG12) (resid 568 and name HB1) 4.0 2.2 2.0 ! A.816 at -1.61e+06 assign (resid 561 and name HG2#) (resid 568 and name HB1) 4.0 2.2 1.5 ! A.824 at -3.21e+06 assign (resid 561 and name HG2#) (resid 568 and name HB2) 3.0 1.2 0.8 ! A.825 at -5.76e+06 assign (resid 561 and name HN) (resid 568 and name HB1) 4.0 2.2 1.0 ! A.843 at 3.58e+06 assign (resid 561 and name HN) (resid 568 and name HB2) 4.0 2.2 1.0 ! A.844 at 5.40e+06 assign (resid 561 and name HB) (resid 568 and name HA) 4.0 2.2 1.0 ! A.1078 at -2.89e+06 assign (resid 561 and name HD1#) (resid 568 and name HB1) 4.0 2.2 2.5 ! A.1088 at -1.73e+06 assign (resid 561 and name HD1#) (resid 568 and name HB2) 4.0 2.2 2.5 ! A.1089 at -1.47e+06 assign (resid 561 and name HG12) (resid 568 and name HB2) 4.0 2.2 2.0 ! A.1091 at -1.54e+06 assign (resid 561 and name HB) (resid 568 and name HN) 3.0 1.2 0.5 ! A.1112 at 1.10e+07 assign (resid 561 and name HG12) (resid 568 and name HN) 4.0 2.2 1.0 ! A.1113 at 3.89e+06 assign (resid 561 and name HN) (resid 569 and name HA) 4.0 2.2 2.0 ! A.845 at 1.42e+06 assign (resid 561 and name HB) (resid 570 and name HA) 4.0 2.2 1.0 ! A.789 at -3.37e+06 assign (resid 561 and name HD1#) (resid 570 and name HB1) 3.0 1.2 0.8 ! A.798 at -7.25e+06 assign (resid 561 and name HG2#) (resid 570 and name HA) 4.0 2.2 1.5 ! A.826 at -5.21e+06 assign (resid 561 and name HN) (resid 570 and name HD2) 4.0 2.2 1.0 ! A.846 at 3.62e+06 assign (resid 561 and name HN) (resid 570 and name HG2) 4.0 2.2 1.3 ! A.847 at 2.97e+06 assign (resid 561 and name HD1#) (resid 570 and name HA) 3.0 1.2 0.8 ! A.1158 at -2.06e+07 assign (resid 561 and name HG11) (resid 570 and name HA) 3.0 1.2 0.3 ! A.1159 at -1.48e+07 assign (resid 561 and name HG12) (resid 570 and name HA) 3.0 1.2 0.3 ! A.1160 at -1.70e+07 assign (resid 561 and name HN) (resid 570 and name HA) 4.0 2.2 1.0 ! A.1161 at -2.62e+06 assign (resid 561 and name HG11) (resid 570 and name HB1) 4.0 2.2 1.0 ! A.1174 at -2.66e+06 assign (resid 561 and name HG12) (resid 570 and name HB1) 4.0 2.2 1.0 ! A.1175 at -3.72e+06 assign (resid 561 and name HG2#) (resid 570 and name HB1) 4.0 2.2 1.5 ! A.1176 at -2.37e+06 assign (resid 561 and name HD1#) (resid 570 and name HB2) 4.0 2.2 1.5 ! A.1173 at -4.71e+06 assign (resid 561 and name HG12) (resid 570 and name HD1) 4.0 2.2 2.0 ! A.1190 at -1.74e+06 assign (resid 561 and name HN) (resid 570 and name HD1) 4.0 2.2 1.0 ! A.1192 at -2.51e+06 assign (resid 561 and name HG12) (resid 570 and name HD2) 4.0 2.2 1.0 ! A.1191 at -1.95e+06 assign (resid 561 and name HD1#) (resid 570 and name HG1) 4.0 2.2 1.5 ! A.1212 at -3.20e+06 assign (resid 561 and name HG12) (resid 570 and name HG1) 4.0 2.2 1.0 ! A.1214 at -2.81e+06 assign (resid 561 and name HD1#) (resid 570 and name HG2) 4.0 2.2 1.5 ! A.1213 at -2.46e+06 assign (resid 561 and name HD1#) (resid 571 and name HN) 4.0 2.2 2.5 ! A.1245 at 9.79e+05 assign (resid 561 and name HD1#) (resid 572 and name HN) 4.0 2.2 1.8 ! A.1281 at 2.24e+06 assign (resid 561 and name HB) (resid 573 and name HB1) 4.0 2.2 1.0 ! A.790 at -5.17e+06 assign (resid 561 and name HB) (resid 573 and name HB2) 4.0 2.2 1.0 ! A.791 at -2.71e+06 assign (resid 561 and name HD1#) (resid 573 and name HB1) 3.0 1.2 0.8 ! A.799 at -9.09e+06 assign (resid 561 and name HD1#) (resid 573 and name HN) 4.0 2.2 1.5 ! A.800 at -5.10e+06 assign (resid 561 and name HG2#) (resid 573 and name HB1) 3.0 1.2 0.8 ! A.827 at -6.17e+06 assign (resid 561 and name HG2#) (resid 573 and name HB2) 4.0 2.2 1.5 ! A.1304 at -2.58e+06 assign (resid 561 and name HG2#) (resid 573 and name HN) 4.0 2.2 1.5 ! A.829 at -2.89e+06 assign (resid 561 and name HG2#) (resid 573 and name HA) 4.0 2.2 1.5 ! A.1299 at -2.07e+06 assign (resid 561 and name HG12) (resid 573 and name HN) 4.0 2.2 2.0 ! A.1316 at 1.34e+06 assign (resid 561 and name HD1#) (resid 583 and name HA) 3.0 1.2 0.8 ! A.801 at -8.57e+06 assign (resid 561 and name HG2#) (resid 583 and name HA) 4.0 2.2 1.5 ! A.830 at -5.63e+06 assign (resid 561 and name HG2#) (resid 584 and name HB1) 3.0 1.2 0.8 ! A.831 at -7.53e+06 assign (resid 561 and name HG2#) (resid 584 and name HD1) 3.0 1.2 1.8 ! A.832 at -1.08e+07 assign (resid 561 and name HG2#) (resid 584 and name HA) 4.0 2.2 1.5 ! A.1785 at -4.71e+06 assign (resid 561 and name HD1#) (resid 584 and name HB1) 4.0 2.2 1.5 ! A.1792 at -4.41e+06 assign (resid 561 and name HG2#) (resid 584 and name HG1) 3.0 1.2 1.2 ! A.1801 at -5.76e+06 assign (resid 561 and name HD1#) (resid 584 and name HN) 4.0 2.2 2.5 ! A.1806 at 1.03e+06 ! T562 assign (resid 562 and name HA) (resid 562 and name HG2#) 3.0 1.2 0.8 ! A.850 at -2.79e+07 assign (resid 562 and name HB) (resid 562 and name HN) 3.0 1.2 0.5 ! A.863 at -2.43e+07 assign (resid 562 and name HG2#) (resid 562 and name HN) 3.0 1.2 1.0 ! A.871 at -8.36e+06 assign (resid 562 and name HA) (resid 563 and name HB#) 3.0 1.2 1.1 ! A.852 at -7.13e+06 assign (resid 562 and name HA) (resid 563 and name HN) 2.5 0.7 0.4 ! A.853 at -5.35e+07 assign (resid 562 and name HB) (resid 563 and name HB#) 4.0 2.2 1.5 ! A.864 at -2.94e+06 assign (resid 562 and name HB) (resid 563 and name HN) 3.0 1.2 1.4 ! A.865 at -6.04e+06 assign (resid 562 and name HG2#) (resid 563 and name HN) 3.0 1.2 1.0 ! A.872 at -2.49e+07 assign (resid 562 and name HN) (resid 563 and name HB#) 3.0 1.2 1.8 ! A.884 at 5.80e+06 assign (resid 562 and name HA) (resid 563 and name HA) 4.0 2.2 1.0 ! A.888 at -5.31e+06 assign (resid 562 and name HG2#) (resid 563 and name HA) 3.0 1.2 1.1 ! A.889 at -7.96e+06 assign (resid 562 and name HG2#) (resid 564 and name HN) 4.0 2.2 1.5 ! A.940 at 3.68e+06 assign (resid 562 and name HG2#) (resid 565 and name HA) 3.0 1.2 0.8 ! A.950 at -7.63e+06 assign (resid 562 and name HG2#) (resid 565 and name HN) 3.0 1.2 1.0 ! A.965 at 9.91e+06 assign (resid 562 and name HA) (resid 566 and name HN) 4.0 2.2 1.0 ! A.854 at -3.59e+06 !assign (resid 562 and name HB) (resid 566 and name HN) 4.0 2.2 2.0 ! A.866 at -9.60e+05 assign (resid 562 and name HG2#) (resid 566 and name HN) 3.0 1.2 1.0 ! A.873 at -6.06e+06 assign (resid 562 and name HA) (resid 567 and name HD2) 4.0 2.2 1.0 ! A.855 at -4.35e+06 assign (resid 562 and name HA) (resid 567 and name HE1) 4.0 2.2 1.0 ! A.856 at -3.58e+06 assign (resid 562 and name HA) (resid 567 and name HG1) 3.0 1.2 0.3 ! A.857 at -7.00e+06 assign (resid 562 and name HB) (resid 567 and name HD2) 4.0 2.2 1.0 ! A.867 at -2.44e+06 assign (resid 562 and name HB) (resid 567 and name HE1) 4.0 2.2 1.3 ! A.868 at -1.98e+06 assign (resid 562 and name HG2#) (resid 567 and name HE1) 3.0 1.2 0.8 ! A.874 at -2.17e+07 assign (resid 562 and name HG2#) (resid 567 and name HA) 4.0 2.2 1.5 ! A.1017 at -4.16e+06 assign (resid 562 and name HA) (resid 568 and name HB2) 4.0 2.2 1.5 ! A.858 at -2.04e+06 assign (resid 562 and name HN) (resid 584 and name HE1) 4.0 2.2 1.0 ! A.885 at 3.84e+06 ! A563 assign (resid 563 and name HB#) (resid 563 and name HN) 3.0 1.2 1.0 ! A.901 at -1.85e+07 assign (resid 563 and name HA) (resid 564 and name HA) 3.0 1.2 1.4 ! A.892 at -1.12e+07 assign (resid 563 and name HA) (resid 564 and name HG1) 4.0 2.2 1.0 ! A.893 at -2.60e+06 assign (resid 563 and name HA) (resid 564 and name HN) 2.5 0.7 0.7 ! A.894 at -7.31e+07 assign (resid 563 and name HB#) (resid 564 and name HA) 4.0 2.2 1.5 ! A.902 at -3.86e+06 assign (resid 563 and name HB#) (resid 564 and name HG1) 3.0 1.2 0.8 ! A.931 at -6.30e+06 assign (resid 563 and name HB#) (resid 564 and name HN) 3.0 1.2 1.0 ! A.904 at -1.76e+07 assign (resid 563 and name HN) (resid 564 and name HN) 3.0 1.2 0.9 ! A.913 at 6.01e+06 assign (resid 563 and name HB#) (resid 564 and name HG2) 4.0 2.2 1.5 ! A.932 at -4.85e+06 assign (resid 563 and name HN) (resid 565 and name HA) 4.0 2.2 2.0 ! A.914 at 1.43e+06 assign (resid 563 and name HA) (resid 565 and name HN) 3.0 1.2 1.2 ! A.966 at 1.51e+07 assign (resid 563 and name HB#) (resid 565 and name HN) 3.0 1.2 1.0 ! A.967 at 6.55e+06 assign (resid 563 and name HA) (resid 566 and name HB1) 4.0 2.2 2.2 ! A.895 at -3.03e+06 assign (resid 563 and name HA) (resid 566 and name HN) 4.0 2.2 1.0 ! A.896 at -3.42e+06 assign (resid 563 and name HB#) (resid 566 and name HB1) 3.0 1.2 0.8 ! A.905 at -8.43e+06 assign (resid 563 and name HB#) (resid 566 and name HN) 4.0 2.2 1.5 ! A.906 at -2.47e+06 assign (resid 563 and name HN) (resid 566 and name HB1) 3.0 1.2 1.4 ! A.915 at 5.80e+06 assign (resid 563 and name HN) (resid 566 and name HN) 3.0 1.2 0.5 ! A.916 at 2.51e+07 assign (resid 563 and name HN) (resid 566 and name HA) 4.0 2.2 1.0 ! A.978 at -3.43e+06 assign (resid 563 and name HN) (resid 567 and name HD2) 3.0 1.2 0.5 ! A.917 at 7.66e+06 assign (resid 563 and name HN) (resid 567 and name HE1) 4.0 2.2 2.0 ! A.918 at 1.51e+06 assign (resid 563 and name HN) (resid 567 and name HG1) 4.0 2.2 1.0 ! A.919 at 2.49e+06 assign (resid 563 and name HN) (resid 567 and name HA) 3.0 1.2 0.5 ! A.1018 at -6.77e+06 assign (resid 563 and name HA) (resid 584 and name HE1) 4.0 2.2 1.0 ! A.897 at -4.77e+06 ! M564 assign (resid 564 and name HA) (resid 564 and name HG1) 3.0 1.2 0.3 ! A.922 at -1.95e+07 assign (resid 564 and name HB1) (resid 564 and name HN) 4.0 2.2 2.0 ! A.927 at -1.68e+06 assign (resid 564 and name HG1) (resid 564 and name HN) 4.0 2.2 1.0 ! A.937 at -3.40e+06 assign (resid 564 and name HG2) (resid 564 and name HN) 3.0 1.2 0.5 ! A.938 at -5.97e+06 assign (resid 564 and name HN) (resid 564 and name HB2) 3.0 1.2 0.5 ! A.945 at 1.73e+07 assign (resid 564 and name HA) (resid 565 and name HN) 2.5 0.7 0.4 ! A.968 at 4.41e+07 assign (resid 564 and name HB1) (resid 565 and name HB#) 4.0 2.2 1.5 ! A.928 at -3.50e+06 assign (resid 564 and name HB1) (resid 565 and name HN) 3.0 1.2 1.4 ! A.969 at 1.35e+07 assign (resid 564 and name HB2) (resid 565 and name HN) 3.0 1.2 1.2 ! A.970 at 1.43e+07 assign (resid 564 and name HG1) (resid 565 and name HN) 4.0 2.2 1.0 ! A.971 at 4.49e+06 assign (resid 564 and name HN) (resid 565 and name HA) 4.0 2.2 1.7 ! A.947 at 3.54e+06 assign (resid 564 and name HN) (resid 565 and name HN) 3.0 1.2 0.5 ! A.948 at 3.87e+07 assign (resid 564 and name HB1) (resid 565 and name HA) 4.0 2.2 1.9 ! A.951 at -2.37e+06 assign (resid 564 and name HB2) (resid 565 and name HA) 4.0 2.2 1.9 ! A.952 at -2.46e+06 assign (resid 564 and name HA) (resid 565 and name HB#) 4.0 2.2 1.5 ! A.958 at -4.34e+06 assign (resid 564 and name HN) (resid 565 and name HB#) 4.0 2.2 1.5 ! A.959 at -4.04e+06 assign (resid 564 and name HN) (resid 566 and name HN) 4.0 2.2 1.0 ! A.949 at 5.51e+06 assign (resid 564 and name HA) (resid 566 and name HN) 3.0 1.2 1.0 ! A.1004 at 7.89e+06 assign (resid 564 and name HB1) (resid 566 and name HN) 3.0 1.2 1.3 ! A.1005 at 1.72e+07 assign (resid 564 and name HB2) (resid 566 and name HN) 3.0 1.2 0.5 ! A.1006 at 1.72e+07 assign (resid 564 and name HG1) (resid 566 and name HN) 4.0 2.2 2.0 ! A.1007 at 1.76e+06 ! A565 assign (resid 565 and name HB#) (resid 565 and name HN) 3.0 1.2 1.0 ! A.961 at -4.21e+07 assign (resid 565 and name HA) (resid 566 and name HA) 4.0 2.2 1.0 ! A.956 at -2.33e+06 assign (resid 565 and name HA) (resid 566 and name HN) 3.0 1.2 0.5 ! A.957 at -1.43e+07 assign (resid 565 and name HB#) (resid 566 and name HA) 4.0 2.2 1.5 ! A.962 at -3.53e+06 assign (resid 565 and name HB#) (resid 566 and name HE1) 4.0 2.2 1.5 ! A.963 at -3.39e+06 assign (resid 565 and name HB#) (resid 566 and name HN) 3.0 1.2 1.0 ! A.964 at -1.19e+07 assign (resid 565 and name HN) (resid 566 and name HB1) 4.0 2.2 2.0 ! A.975 at 2.65e+06 assign (resid 565 and name HN) (resid 566 and name HN) 2.5 0.7 0.4 ! A.976 at 4.34e+07 ! K566 assign (resid 566 and name HA) (resid 566 and name HD2) 3.0 1.2 1.3 ! A.980 at -4.33e+07 assign (resid 566 and name HA) (resid 566 and name HE1) 3.0 1.2 1.4 ! A.981 at -7.44e+06 assign (resid 566 and name HA) (resid 566 and name HG1) 3.0 1.2 0.3 ! A.982 at -3.07e+07 assign (resid 566 and name HB1) (resid 566 and name HD2) 3.0 1.2 0.3 ! A.986 at -2.82e+07 assign (resid 566 and name HB1) (resid 566 and name HE1) 4.0 2.2 1.0 ! A.987 at -3.48e+06 assign (resid 566 and name HB1) (resid 566 and name HN) 3.0 1.2 0.5 ! A.989 at -9.04e+06 assign (resid 566 and name HD1) (resid 566 and name HA) 4.0 2.2 1.0 ! A.992 at -3.03e+06 assign (resid 566 and name HD1) (resid 566 and name HB1) 2.5 0.7 1.1 ! A.993 at -1.24e+08 assign (resid 566 and name HD1) (resid 566 and name HN) 4.0 2.2 1.5 ! A.996 at -2.17e+06 assign (resid 566 and name HD2) (resid 566 and name HN) 4.0 2.2 2.0 ! A.997 at -1.60e+06 assign (resid 566 and name HG1) (resid 566 and name HE1) 3.0 1.2 0.3 ! A.1001 at -7.88e+06 assign (resid 566 and name HN) (resid 566 and name HE1) 4.0 2.2 1.0 ! A.1014 at 5.65e+06 assign (resid 566 and name HN) (resid 566 and name HG1) 3.0 1.2 0.5 ! A.1015 at 1.70e+07 assign (resid 566 and name HA) (resid 567 and name HA) 4.0 2.2 1.0 ! A.1019 at -3.14e+06 assign (resid 566 and name HA) (resid 567 and name HD1) 4.0 2.2 1.0 ! A.1038 at -2.60e+06 assign (resid 566 and name HA) (resid 567 and name HE1) 4.0 2.2 1.8 ! A.1047 at -3.15e+06 assign (resid 566 and name HA) (resid 567 and name HN) 2.5 0.7 0.4 ! A.1060 at 5.93e+07 assign (resid 566 and name HB1) (resid 567 and name HN) 3.0 1.2 0.5 ! A.1061 at 3.06e+07 ! K567 assign (resid 567 and name HA) (resid 567 and name HD1) 3.0 1.2 0.3 ! A.1020 at -2.27e+07 assign (resid 567 and name HA) (resid 567 and name HD2) 4.0 2.2 1.0 ! A.1021 at -2.93e+06 assign (resid 567 and name HA) (resid 567 and name HE1) 4.0 2.2 1.0 ! A.1022 at -4.63e+06 assign (resid 567 and name HA) (resid 567 and name HG1) 3.0 1.2 0.3 ! A.1023 at -2.33e+07 assign (resid 567 and name HB1) (resid 567 and name HN) 4.0 2.2 1.0 ! A.1031 at -5.16e+06 assign (resid 567 and name HB2) (resid 567 and name HN) 4.0 2.2 1.0 ! A.1032 at -2.67e+06 assign (resid 567 and name HE1) (resid 567 and name HG1) 3.0 1.2 0.3 ! A.1049 at -3.48e+07 assign (resid 567 and name HE1) (resid 567 and name HN) 4.0 2.2 1.0 ! A.1050 at -2.25e+06 assign (resid 567 and name HG1) (resid 567 and name HN) 4.0 2.2 1.0 ! A.1054 at -3.98e+06 assign (resid 567 and name HN) (resid 567 and name HD1) 2.5 0.7 0.4 ! A.1065 at 4.64e+07 assign (resid 567 and name HN) (resid 567 and name HD2) 2.5 0.7 0.4 ! A.1066 at 5.55e+07 assign (resid 567 and name HA) (resid 568 and name HB1) 4.0 2.2 1.6 ! A.1025 at -2.62e+06 assign (resid 567 and name HA) (resid 568 and name HB2) 4.0 2.2 1.0 ! A.1026 at -2.15e+06 assign (resid 567 and name HB1) (resid 568 and name HN) 4.0 2.2 1.0 ! A.1033 at -3.73e+06 assign (resid 567 and name HB2) (resid 568 and name HN) 3.0 1.2 0.7 ! A.1115 at 2.95e+07 assign (resid 567 and name HD2) (resid 568 and name HN) 4.0 2.2 1.0 ! A.1044 at -2.33e+06 assign (resid 567 and name HG1) (resid 568 and name HN) 3.0 1.2 0.5 ! A.1116 at 1.17e+07 assign (resid 567 and name HN) (resid 568 and name HA) 4.0 2.2 2.0 ! A.1069 at 1.38e+06 assign (resid 567 and name HA) (resid 568 and name HA) 4.0 2.2 1.0 ! A.1079 at -2.86e+06 assign (resid 567 and name HB1) (resid 568 and name HA) 4.0 2.2 1.0 ! A.1080 at -2.49e+06 assign (resid 567 and name HA) (resid 568 and name HN) 2.5 0.7 0.4 ! A.1114 at 9.14e+07 assign (resid 567 and name HN) (resid 568 and name HN) 3.0 1.2 1.6 ! A.1117 at 5.97e+06 ! F568 assign (resid 568 and name HB1) (resid 568 and name HN) 4.0 2.2 1.0 ! A.1098 at -4.91e+06 assign (resid 568 and name HB2) (resid 568 and name HN) 3.0 1.2 0.5 ! A.1099 at -8.45e+06 assign (resid 568 and name HA) (resid 569 and name HB1) 4.0 2.2 1.8 ! A.1084 at -2.95e+06 assign (resid 568 and name HA) (resid 569 and name HN) 2.5 0.7 0.4 ! A.1147 at 6.67e+07 assign (resid 568 and name HB1) (resid 569 and name HN) 4.0 2.2 1.0 ! A.1100 at -5.64e+06 assign (resid 568 and name HB2) (resid 569 and name HN) 3.0 1.2 1.2 ! A.1148 at 2.49e+07 assign (resid 568 and name HN) (resid 569 and name HN) 4.0 2.2 1.0 ! A.1121 at 3.04e+06 assign (resid 568 and name HB1) (resid 570 and name HA) 4.0 2.2 1.0 ! A.1162 at -1.96e+06 assign (resid 568 and name HB1) (resid 572 and name HN) 4.0 2.2 2.0 ! A.1102 at -9.75e+05 assign (resid 568 and name HA) (resid 572 and name HN) 4.0 2.2 1.4 ! A.1282 at 2.10e+06 assign (resid 568 and name HA) (resid 573 and name HB2) 4.0 2.2 2.0 ! A.1086 at -1.10e+06 assign (resid 568 and name HB1) (resid 573 and name HA) 4.0 2.2 1.0 ! A.1103 at -2.07e+06 assign (resid 568 and name HB1) (resid 573 and name HB2) 3.0 1.2 0.3 ! A.1106 at -6.83e+06 assign (resid 568 and name HB2) (resid 573 and name HA) 4.0 2.2 2.0 ! A.1104 at -1.60e+06 assign (resid 568 and name HB2) (resid 573 and name HB1) 4.0 2.2 1.0 ! A.1105 at -2.43e+06 assign (resid 568 and name HB2) (resid 573 and name HB2) 3.0 1.2 0.3 ! A.1107 at -6.27e+06 assign (resid 568 and name HN) (resid 573 and name HB2) 4.0 2.2 1.0 ! A.1122 at 1.93e+06 assign (resid 568 and name HB2) (resid 573 and name HN) 3.0 1.2 1.2 ! A.1318 at 6.02e+06 ! H569 assign (resid 569 and name HB1) (resid 569 and name HN) 4.0 2.2 1.0 ! A.1132 at -5.44e+06 assign (resid 569 and name HN) (resid 569 and name HB2) 3.0 1.2 0.5 ! A.1151 at 4.23e+07 assign (resid 569 and name HA) (resid 570 and name HD1) 3.0 1.2 0.3 ! A.1123 at -2.93e+07 assign (resid 569 and name HA) (resid 570 and name HD2) 3.0 1.2 0.3 ! A.1124 at -3.40e+07 assign (resid 569 and name HB1) (resid 570 and name HD1) 4.0 2.2 2.0 ! A.1133 at -1.65e+06 assign (resid 569 and name HB1) (resid 570 and name HD2) 4.0 2.2 2.0 ! A.1134 at -1.46e+06 assign (resid 569 and name HN) (resid 570 and name HD1) 4.0 2.2 1.0 ! A.1152 at 4.97e+06 assign (resid 569 and name HN) (resid 570 and name HD2) 4.0 2.2 1.0 ! A.1153 at 1.89e+06 assign (resid 569 and name HA) (resid 570 and name HA) 4.0 2.2 2.0 ! A.1163 at -1.13e+06 assign (resid 569 and name HB2) (resid 570 and name HD1) 4.0 2.2 1.0 ! A.1196 at -3.87e+06 assign (resid 569 and name HB2) (resid 570 and name HD2) 4.0 2.2 1.0 ! A.1197 at -4.48e+06 assign (resid 569 and name HA) (resid 570 and name HG1) 4.0 2.2 1.0 ! A.1215 at -2.08e+06 assign (resid 569 and name HA) (resid 570 and name HG2) 4.0 2.2 1.0 ! A.1216 at -2.12e+06 assign (resid 569 and name HB1) (resid 571 and name HN) 3.0 1.2 0.5 ! A.1247 at 7.62e+06 assign (resid 569 and name HB2) (resid 571 and name HN) 4.0 2.2 1.0 ! A.1136 at -2.11e+06 assign (resid 569 and name HB1) (resid 571 and name HG2) 4.0 2.2 2.0 ! A.1233 at -9.78e+05 assign (resid 569 and name HB2) (resid 571 and name HG2) 4.0 2.2 1.0 ! A.1234 at -3.07e+06 assign (resid 569 and name HA) (resid 571 and name HN) 4.0 2.2 1.0 ! A.1246 at 2.95e+06 assign (resid 569 and name HN) (resid 571 and name HN) 4.0 2.2 2.0 ! A.1248 at 1.78e+06 assign (resid 569 and name HA) (resid 572 and name HB2) 3.0 1.2 1.8 ! A.1125 at -1.57e+07 assign (resid 569 and name HB1) (resid 572 and name HB1) 4.0 2.2 1.3 ! A.1137 at -2.34e+06 assign (resid 569 and name HB1) (resid 572 and name HN) 3.0 1.2 0.5 ! A.1284 at 2.01e+07 assign (resid 569 and name HB2) (resid 572 and name HN) 4.0 2.2 1.0 ! A.1139 at -3.22e+06 assign (resid 569 and name HN) (resid 572 and name HB1) 4.0 2.2 1.0 ! A.1154 at 5.55e+06 assign (resid 569 and name HB1) (resid 572 and name HA) 4.0 2.2 2.0 ! A.1259 at -1.15e+06 assign (resid 569 and name HB1) (resid 572 and name HB2) 4.0 2.2 1.0 ! A.1271 at -2.58e+06 assign (resid 569 and name HN) (resid 572 and name HB2) 4.0 2.2 2.0 ! A.1273 at -7.07e+05 assign (resid 569 and name HA) (resid 572 and name HN) 4.0 2.2 1.0 ! A.1283 at 3.64e+06 assign (resid 569 and name HN) (resid 572 and name HN) 3.0 1.2 0.8 ! A.1285 at 6.10e+06 assign (resid 569 and name HN) (resid 573 and name HB2) 4.0 2.2 1.0 ! A.1155 at 2.08e+06 assign (resid 569 and name HN) (resid 573 and name HN) 4.0 2.2 2.0 ! A.1156 at 1.23e+06 ! P570 assign (resid 570 and name HA) (resid 570 and name HG1) 3.0 1.2 0.3 ! A.1166 at -6.31e+06 assign (resid 570 and name HA) (resid 570 and name HG2) 3.0 1.2 0.9 ! A.1167 at -1.39e+07 assign (resid 570 and name HB1) (resid 570 and name HD2) 4.0 2.2 1.0 ! A.1180 at -5.33e+06 assign (resid 570 and name HD1) (resid 570 and name HB1) 4.0 2.2 1.0 ! A.1198 at -3.11e+06 assign (resid 570 and name HD1) (resid 570 and name HB2) 4.0 2.2 1.0 ! A.1200 at -3.77e+06 assign (resid 570 and name HA) (resid 571 and name HN) 3.0 1.2 0.5 ! A.1168 at -5.87e+06 assign (resid 570 and name HB1) (resid 571 and name HN) 3.0 1.2 1.3 ! A.1183 at -5.88e+06 assign (resid 570 and name HB2) (resid 571 and name HN) 3.0 1.2 0.5 ! A.1184 at -7.46e+06 assign (resid 570 and name HD1) (resid 571 and name HN) 4.0 2.2 1.0 ! A.1207 at -3.23e+06 assign (resid 570 and name HD2) (resid 571 and name HN) 3.0 1.2 0.5 ! A.1250 at 1.80e+07 assign (resid 570 and name HG1) (resid 571 and name HN) 4.0 2.2 1.0 ! A.1223 at -3.40e+06 assign (resid 570 and name HA) (resid 572 and name HN) 4.0 2.2 1.0 ! A.1169 at -3.59e+06 assign (resid 570 and name HA) (resid 573 and name HB1) 4.0 2.2 1.0 ! A.1170 at -5.32e+06 assign (resid 570 and name HA) (resid 573 and name HN) 4.0 2.2 1.0 ! A.1171 at -5.18e+06 ! E571 assign (resid 571 and name HA) (resid 571 and name HG1) 3.0 1.2 0.7 ! A.1225 at -1.92e+07 assign (resid 571 and name HB1) (resid 571 and name HN) 3.0 1.2 0.5 ! A.1231 at -7.27e+06 assign (resid 571 and name HB2) (resid 571 and name HN) 3.0 1.2 0.8 ! A.1232 at -6.76e+06 assign (resid 571 and name HG1) (resid 571 and name HN) 3.0 1.2 0.5 ! A.1241 at -7.81e+06 assign (resid 571 and name HG2) (resid 571 and name HA) 3.0 1.2 0.7 ! A.1236 at -7.43e+06 assign (resid 571 and name HG2) (resid 571 and name HN) 3.0 1.2 0.5 ! A.1242 at -6.94e+06 assign (resid 571 and name HA) (resid 572 and name HN) 3.0 1.2 0.5 ! A.1227 at -8.65e+06 assign (resid 571 and name HG1) (resid 572 and name HN) 3.0 1.2 0.5 ! A.1289 at 1.26e+07 assign (resid 571 and name HG2) (resid 572 and name HN) 3.0 1.2 0.5 ! A.1290 at 9.38e+06 assign (resid 571 and name HN) (resid 572 and name HA) 4.0 2.2 1.0 ! A.1256 at 1.85e+06 assign (resid 571 and name HN) (resid 572 and name HN) 3.0 1.2 0.5 ! A.1257 at 2.87e+07 assign (resid 571 and name HG2) (resid 572 and name HA) 4.0 2.2 1.0 ! A.1260 at -2.12e+06 assign (resid 571 and name HB1) (resid 572 and name HN) 4.0 2.2 1.0 ! A.1287 at 4.58e+06 assign (resid 571 and name HB2) (resid 572 and name HN) 4.0 2.2 1.0 ! A.1288 at 5.05e+06 assign (resid 571 and name HA) (resid 573 and name HN) 4.0 2.2 1.0 ! A.1228 at -4.62e+06 assign (resid 571 and name HN) (resid 573 and name HN) 3.0 1.2 0.5 ! A.1258 at 5.96e+06 assign (resid 571 and name HB2) (resid 573 and name HN) 4.0 2.2 2.0 ! A.1320 at 1.05e+06 assign (resid 571 and name HA) (resid 581 and name HG1) 4.0 2.2 1.0 ! A.1633 at -3.08e+06 assign (resid 571 and name HA) (resid 581 and name HG2) 4.0 2.2 1.0 ! A.1634 at -3.84e+06 assign (resid 571 and name HB2) (resid 581 and name HE21) 4.0 2.2 2.0 ! A.1666 at 1.04e+06 assign (resid 571 and name HB2) (resid 581 and name HE22) 4.0 2.2 2.0 ! A.1667 at 1.66e+06 assign (resid 571 and name HN) (resid 581 and name HE22) 4.0 2.2 2.0 ! A.1668 at 1.57e+06 ! H572 assign (resid 572 and name HB1) (resid 572 and name HN) 3.0 1.2 0.8 ! A.1278 at -5.88e+06 assign (resid 572 and name HB2) (resid 572 and name HN) 4.0 2.2 1.0 ! A.1279 at -4.71e+06 assign (resid 572 and name HA) (resid 573 and name HN) 3.0 1.2 0.5 ! A.1322 at 1.36e+07 assign (resid 572 and name HB1) (resid 573 and name HN) 3.0 1.2 1.1 ! A.1323 at 5.84e+06 assign (resid 572 and name HN) (resid 573 and name HA) 4.0 2.2 1.0 ! A.1295 at 3.78e+06 assign (resid 572 and name HN) (resid 573 and name HB1) 3.0 1.2 1.4 ! A.1296 at 5.92e+06 assign (resid 572 and name HN) (resid 573 and name HN) 2.5 0.7 0.4 ! A.1297 at 6.88e+07 assign (resid 572 and name HN) (resid 573 and name HB2) 4.0 2.2 1.0 ! A.1306 at -2.14e+06 assign (resid 572 and name HN) (resid 574 and name HN) 4.0 2.2 2.0 ! A.1298 at 8.60e+05 assign (resid 572 and name HA) (resid 574 and name HG1#) 3.0 1.2 0.8 ! A.1338 at -1.42e+07 assign (resid 572 and name HA) (resid 574 and name HG2#) 4.0 2.2 1.5 ! A.1351 at -4.78e+06 assign (resid 572 and name HB1) (resid 574 and name HG2#) 4.0 2.2 2.5 ! A.1352 at -1.66e+06 assign (resid 572 and name HA) (resid 574 and name HN) 4.0 2.2 1.0 ! A.1368 at 2.11e+06 assign (resid 572 and name HB1) (resid 574 and name HN) 4.0 2.2 1.0 ! A.1369 at 1.83e+06 assign (resid 572 and name HB2) (resid 574 and name HN) 4.0 2.2 1.5 ! A.1370 at 2.09e+06 ! F573 assign (resid 573 and name HB1) (resid 573 and name HN) 4.0 2.2 1.0 ! A.1311 at -5.59e+06 assign (resid 573 and name HB2) (resid 573 and name HN) 3.0 1.2 0.5 ! A.1312 at -6.11e+06 assign (resid 573 and name HA) (resid 574 and name HN) 2.5 0.7 0.4 ! A.1371 at 1.03e+08 assign (resid 573 and name HB1) (resid 574 and name HN) 3.0 1.2 1.3 ! A.1372 at 7.09e+06 assign (resid 573 and name HB2) (resid 574 and name HN) 3.0 1.2 1.6 ! A.1373 at 1.22e+07 assign (resid 573 and name HN) (resid 574 and name HA) 4.0 2.2 1.0 ! A.1328 at 2.96e+06 assign (resid 573 and name HN) (resid 574 and name HN) 3.0 1.2 1.0 ! A.1329 at 1.05e+07 assign (resid 573 and name HA) (resid 574 and name HG1#) 4.0 2.2 1.5 ! A.1339 at -3.96e+06 assign (resid 573 and name HN) (resid 574 and name HG1#) 3.0 1.2 1.0 ! A.1340 at -1.03e+07 assign (resid 573 and name HA) (resid 574 and name HG2#) 3.0 1.2 0.8 ! A.1353 at -6.37e+06 assign (resid 573 and name HN) (resid 574 and name HG2#) 4.0 2.2 2.5 ! A.1354 at -1.40e+06 assign (resid 573 and name HA) (resid 582 and name HD2#) 4.0 2.2 1.5 ! A.1302 at -1.98e+06 assign (resid 573 and name HB1) (resid 582 and name HN) 4.0 2.2 1.0 ! A.1315 at -2.26e+06 ! V574 assign (resid 574 and name HB) (resid 574 and name HN) 4.0 2.2 1.0 ! A.1331 at -2.55e+06 assign (resid 574 and name HG1#) (resid 574 and name HA) 3.0 1.2 0.8 ! A.1341 at -3.27e+07 assign (resid 574 and name HG1#) (resid 574 and name HN) 3.0 1.2 1.0 ! A.1343 at -1.44e+07 assign (resid 574 and name HG2#) (resid 574 and name HA) 3.0 1.2 0.8 ! A.1355 at -1.20e+07 assign (resid 574 and name HG2#) (resid 574 and name HN) 3.0 1.2 1.0 ! A.1357 at -4.28e+07 assign (resid 574 and name HB) (resid 575 and name HB1) 4.0 2.2 1.0 ! A.1332 at -2.47e+06 assign (resid 574 and name HB) (resid 575 and name HB2) 4.0 2.2 1.0 ! A.1333 at -2.57e+06 assign (resid 574 and name HB) (resid 575 and name HN) 3.0 1.2 0.5 ! A.1334 at -1.02e+07 assign (resid 574 and name HG1#) (resid 575 and name HN) 3.0 1.2 1.0 ! A.1344 at -7.98e+06 assign (resid 574 and name HG2#) (resid 575 and name HB1) 4.0 2.2 1.5 ! A.1358 at -2.32e+06 assign (resid 574 and name HG2#) (resid 575 and name HB2) 4.0 2.2 1.5 ! A.1359 at -1.99e+06 assign (resid 574 and name HG2#) (resid 575 and name HN) 3.0 1.2 1.0 ! A.1360 at -7.23e+06 assign (resid 574 and name HN) (resid 575 and name HN) 4.0 2.2 1.0 ! A.1377 at 5.19e+06 assign (resid 574 and name HA) (resid 575 and name HN) 2.5 0.7 0.4 ! A.1420 at 6.44e+07 assign (resid 574 and name HG2#) (resid 576 and name HA) 3.0 1.2 0.8 ! A.1361 at -7.84e+06 assign (resid 574 and name HG2#) (resid 577 and name HN) 4.0 2.2 1.5 ! A.1489 at 2.09e+06 assign (resid 574 and name HB) (resid 579 and name HA) 3.0 1.2 0.3 ! A.1335 at -1.51e+07 assign (resid 574 and name HG1#) (resid 579 and name HN) 4.0 2.2 1.9 ! A.1345 at -2.43e+06 assign (resid 574 and name HG2#) (resid 579 and name HA) 3.0 1.2 0.8 ! A.1362 at -3.04e+07 assign (resid 574 and name HG2#) (resid 579 and name HB1) 3.0 1.2 0.8 ! A.1363 at -9.16e+06 assign (resid 574 and name HG2#) (resid 579 and name HB2) 4.0 2.2 1.5 ! A.1364 at -4.00e+06 assign (resid 574 and name HG2#) (resid 579 and name HN) 3.0 1.2 1.4 ! A.1365 at -8.66e+06 assign (resid 574 and name HG2#) (resid 579 and name HG) 4.0 2.2 1.5 ! A.1561 at -2.54e+06 assign (resid 574 and name HG2#) (resid 580 and name HN) 4.0 2.2 1.5 ! A.1366 at -2.97e+06 assign (resid 574 and name HG1#) (resid 580 and name HA) 3.0 1.2 1.4 ! A.1576 at -6.75e+06 assign (resid 574 and name HG1#) (resid 580 and name HN) 3.0 1.2 1.8 ! A.1602 at 1.23e+07 assign (resid 574 and name HB) (resid 581 and name HA) 4.0 2.2 1.0 ! A.1336 at -2.02e+06 assign (resid 574 and name HG1#) (resid 581 and name HA) 2.5 0.7 0.7 ! A.1619 at -4.94e+07 assign (resid 574 and name HG1#) (resid 581 and name HG2) 3.0 1.2 0.8 ! A.1347 at -1.24e+07 assign (resid 574 and name HG1#) (resid 581 and name HN) 3.0 1.2 1.0 ! A.1348 at -7.04e+06 assign (resid 574 and name HN) (resid 581 and name HA) 4.0 2.2 1.3 ! A.1378 at 2.73e+06 assign (resid 574 and name HA) (resid 581 and name HA) 3.0 1.2 0.3 ! A.1618 at -9.66e+06 assign (resid 574 and name HG1#) (resid 581 and name HB2) 4.0 2.2 1.5 ! A.1626 at -4.40e+06 assign (resid 574 and name HA) (resid 581 and name HG1) 4.0 2.2 2.0 ! A.1635 at -2.77e+06 assign (resid 574 and name HG1#) (resid 581 and name HG1) 3.0 1.2 1.6 ! A.1637 at -1.33e+07 assign (resid 574 and name HA) (resid 581 and name HG2) 4.0 2.2 1.0 ! A.1636 at -3.08e+06 assign (resid 574 and name HG1#) (resid 581 and name HE21) 4.0 2.2 1.5 ! A.1669 at 3.26e+06 assign (resid 574 and name HG1#) (resid 581 and name HE22) 4.0 2.2 1.8 ! A.1670 at 3.47e+06 assign (resid 574 and name HB) (resid 582 and name HD2#) 4.0 2.2 2.5 ! A.1337 at -1.59e+06 assign (resid 574 and name HG1#) (resid 582 and name HD2#) 4.0 2.2 2.0 ! A.1349 at -3.36e+06 assign (resid 574 and name HG1#) (resid 582 and name HN) 3.0 1.2 1.0 ! A.1350 at -1.80e+07 assign (resid 574 and name HG2#) (resid 582 and name HD2#) 4.0 2.2 2.0 ! A.1367 at -4.03e+06 assign (resid 574 and name HN) (resid 582 and name HB1) 4.0 2.2 1.0 ! A.1379 at 3.30e+06 assign (resid 574 and name HN) (resid 582 and name HD2#) 3.0 1.2 1.7 ! A.1380 at 9.29e+06 assign (resid 574 and name HA) (resid 582 and name HD1#) 4.0 2.2 1.5 ! A.1699 at -4.98e+06 assign (resid 574 and name HA) (resid 582 and name HD2#) 3.0 1.2 0.8 ! A.1718 at -6.87e+06 assign (resid 574 and name HA) (resid 582 and name HG) 3.0 1.2 1.9 ! A.1739 at -6.73e+06 assign (resid 574 and name HA) (resid 582 and name HN) 3.0 1.2 0.5 ! A.1744 at 3.08e+07 assign (resid 574 and name HN) (resid 582 and name HN) 4.0 2.2 1.0 ! A.1745 at 3.15e+06 assign (resid 574 and name HN) (resid 594 and name HG1) 4.0 2.2 1.0 ! A.1381 at 4.38e+06 ! C575 assign (resid 575 and name HB1) (resid 575 and name HN) 3.0 1.2 0.5 ! A.1398 at -1.19e+07 assign (resid 575 and name HB2) (resid 575 and name HN) 3.0 1.2 0.5 ! A.1399 at -1.19e+07 assign (resid 575 and name HA) (resid 576 and name HN) 2.5 0.7 0.4 ! A.1385 at -4.66e+07 assign (resid 575 and name HN) (resid 576 and name HN) 4.0 2.2 1.0 ! A.1425 at 3.71e+06 assign (resid 575 and name HA) (resid 576 and name HB#) 4.0 2.2 1.5 ! A.1446 at -2.90e+06 assign (resid 575 and name HB1) (resid 576 and name HN) 4.0 2.2 1.0 ! A.1461 at 4.56e+06 assign (resid 575 and name HB2) (resid 576 and name HN) 3.0 1.2 1.4 ! A.1462 at 1.09e+07 assign (resid 575 and name HA) (resid 577 and name HN) 3.0 1.2 1.7 ! A.1490 at 1.01e+07 assign (resid 575 and name HB1) (resid 577 and name HN) 4.0 2.2 2.0 ! A.1400 at -1.24e+06 assign (resid 575 and name HB2) (resid 577 and name HN) 4.0 2.2 2.0 ! A.1401 at -1.18e+06 assign (resid 575 and name HN) (resid 577 and name HN) 4.0 2.2 2.0 ! A.1426 at 1.08e+06 assign (resid 575 and name HA) (resid 578 and name HN) 4.0 2.2 1.0 ! A.1518 at 4.33e+06 assign (resid 575 and name HA) (resid 579 and name HN) 4.0 2.2 2.2 ! A.1387 at -2.13e+06 assign (resid 575 and name HB1) (resid 579 and name HA) 4.0 2.2 1.0 ! A.1402 at -3.77e+06 assign (resid 575 and name HB1) (resid 579 and name HN) 3.0 1.2 1.2 ! A.1404 at -7.31e+06 assign (resid 575 and name HB2) (resid 579 and name HA) 4.0 2.2 1.0 ! A.1403 at -3.07e+06 assign (resid 575 and name HB2) (resid 579 and name HN) 4.0 2.2 2.0 ! A.1405 at -4.47e+06 assign (resid 575 and name HN) (resid 579 and name HA) 3.0 1.2 0.5 ! A.1427 at 7.92e+06 assign (resid 575 and name HN) (resid 579 and name HN) 3.0 1.2 1.8 ! A.1428 at 5.92e+06 assign (resid 575 and name HB1) (resid 580 and name HB1) 4.0 2.2 1.5 ! A.1406 at -2.48e+06 assign (resid 575 and name HB1) (resid 580 and name HD1) 4.0 2.2 1.0 ! A.1407 at -2.12e+06 assign (resid 575 and name HB1) (resid 580 and name HG2) 4.0 2.2 1.0 ! A.1409 at -4.22e+06 assign (resid 575 and name HB1) (resid 580 and name HN) 3.0 1.2 0.5 ! A.1411 at -1.08e+07 assign (resid 575 and name HB2) (resid 580 and name HD1) 4.0 2.2 1.0 ! A.1408 at -2.27e+06 assign (resid 575 and name HB2) (resid 580 and name HG2) 4.0 2.2 1.0 ! A.1410 at -3.50e+06 assign (resid 575 and name HB2) (resid 580 and name HN) 3.0 1.2 1.8 ! A.1412 at -7.64e+06 assign (resid 575 and name HN) (resid 580 and name HB1) 4.0 2.2 1.9 ! A.1429 at 6.59e+06 assign (resid 575 and name HN) (resid 580 and name HD1) 4.0 2.2 1.5 ! A.1430 at 3.72e+06 assign (resid 575 and name HN) (resid 580 and name HN) 4.0 2.2 1.0 ! A.1431 at -2.68e+06 assign (resid 575 and name HA) (resid 580 and name HN) 4.0 2.2 2.0 ! A.1603 at 4.19e+06 assign (resid 575 and name HN) (resid 581 and name HA) 3.0 1.2 1.2 ! A.1432 at 8.08e+06 assign (resid 575 and name HA) (resid 582 and name HD1#) 3.0 1.2 0.8 ! A.1388 at -9.50e+06 assign (resid 575 and name HA) (resid 582 and name HD2#) 3.0 1.2 0.8 ! A.1389 at -1.81e+07 assign (resid 575 and name HB1) (resid 582 and name HD1#) 3.0 1.2 0.8 ! A.1701 at -8.87e+06 assign (resid 575 and name HB1) (resid 582 and name HD2#) 4.0 2.2 1.5 ! A.1414 at -2.90e+06 assign (resid 575 and name HB2) (resid 582 and name HD2#) 4.0 2.2 1.5 ! A.1415 at -3.69e+06 assign (resid 575 and name HN) (resid 582 and name HB2) 4.0 2.2 1.0 ! A.1433 at 4.44e+06 assign (resid 575 and name HN) (resid 582 and name HD2#) 3.0 1.2 1.0 ! A.1434 at 1.08e+07 assign (resid 575 and name HB2) (resid 582 and name HD1#) 3.0 1.2 0.8 ! A.1702 at -1.59e+07 assign (resid 575 and name HN) (resid 582 and name HD1#) 3.0 1.2 1.0 ! A.1703 at -7.66e+06 assign (resid 575 and name HN) (resid 582 and name HG) 4.0 2.2 1.3 ! A.1740 at -3.91e+06 assign (resid 575 and name HA) (resid 594 and name HB2) 3.0 1.2 0.3 ! A.1390 at -1.16e+07 assign (resid 575 and name HA) (resid 594 and name HG1) 4.0 2.2 1.0 ! A.1391 at -3.32e+06 assign (resid 575 and name HA) (resid 595 and name HA) 3.0 1.2 0.3 ! A.1392 at -1.89e+07 assign (resid 575 and name HB1) (resid 595 and name HA) 4.0 2.2 2.0 ! A.1416 at -1.34e+06 assign (resid 575 and name HB2) (resid 595 and name HA) 4.0 2.2 1.0 ! A.1417 at -3.07e+06 assign (resid 575 and name HN) (resid 595 and name HA) 4.0 2.2 2.0 ! A.1435 at 1.68e+06 assign (resid 575 and name HA) (resid 595 and name HN) 4.0 2.2 1.0 ! A.2254 at 3.41e+06 assign (resid 575 and name HA) (resid 596 and name HN) 3.0 1.2 0.8 ! A.1393 at -7.89e+06 assign (resid 575 and name HB1) (resid 596 and name HN) 4.0 2.2 1.0 ! A.1418 at -3.65e+06 assign (resid 575 and name HB2) (resid 596 and name HN) 3.0 1.2 0.5 ! A.1419 at -6.16e+06 assign (resid 575 and name HN) (resid 596 and name HN) 4.0 2.2 1.6 ! A.1436 at 2.40e+06 assign (resid 575 and name HB2) (resid 596 and name HB1) 4.0 2.2 1.0 ! A.2279 at -2.22e+06 ! A576 assign (resid 576 and name HB#) (resid 576 and name HN) 2.5 0.7 0.9 ! A.1448 at -5.14e+07 assign (resid 576 and name HA) (resid 577 and name HA) 4.0 2.2 1.0 ! A.1439 at -2.35e+06 assign (resid 576 and name HA) (resid 577 and name HB2) 4.0 2.2 1.0 ! A.1440 at -2.06e+06 assign (resid 576 and name HA) (resid 577 and name HN) 3.0 1.2 0.5 ! A.1441 at -7.32e+06 assign (resid 576 and name HB#) (resid 577 and name HB2) 3.0 1.2 1.4 ! A.1449 at -1.51e+07 assign (resid 576 and name HB#) (resid 577 and name HN) 3.0 1.2 1.0 ! A.1450 at -1.07e+07 assign (resid 576 and name HN) (resid 577 and name HB2) 4.0 2.2 1.0 ! A.1466 at 2.77e+06 assign (resid 576 and name HN) (resid 577 and name HN) 3.0 1.2 0.7 ! A.1467 at 1.63e+07 assign (resid 576 and name HB#) (resid 578 and name HN) 4.0 2.2 1.5 ! A.1519 at 3.48e+06 assign (resid 576 and name HA) (resid 579 and name HN) 4.0 2.2 1.0 ! A.1442 at -2.43e+06 assign (resid 576 and name HN) (resid 579 and name HN) 4.0 2.2 2.1 ! A.1468 at 2.10e+06 assign (resid 576 and name HA) (resid 579 and name HD1#) 3.0 1.2 0.8 ! A.1547 at -1.06e+07 assign (resid 576 and name HA) (resid 582 and name HD2#) 4.0 2.2 2.5 ! A.1443 at -1.78e+06 assign (resid 576 and name HB#) (resid 582 and name HD2#) 4.0 2.2 2.0 ! A.1451 at -2.73e+06 assign (resid 576 and name HN) (resid 582 and name HB1) 4.0 2.2 2.0 ! A.1469 at 2.06e+06 assign (resid 576 and name HN) (resid 582 and name HD1#) 4.0 2.2 1.5 ! A.1470 at 4.60e+06 assign (resid 576 and name HN) (resid 582 and name HD2#) 3.0 1.2 1.0 ! A.1471 at 1.02e+07 assign (resid 576 and name HB#) (resid 593 and name HB1) 3.0 1.2 0.8 ! A.1452 at -1.64e+07 assign (resid 576 and name HB#) (resid 593 and name HN) 4.0 2.2 1.5 ! A.1453 at -2.11e+06 assign (resid 576 and name HN) (resid 593 and name HB1) 4.0 2.2 2.0 ! A.1472 at 1.74e+06 assign (resid 576 and name HB#) (resid 593 and name HB2) 3.0 1.2 0.8 ! A.2129 at -8.09e+06 assign (resid 576 and name HB#) (resid 593 and name HD1) 3.0 1.2 0.8 ! A.2139 at -1.68e+07 assign (resid 576 and name HA) (resid 594 and name HB1) 4.0 2.2 2.9 ! A.1444 at -2.26e+06 assign (resid 576 and name HA) (resid 594 and name HG2) 4.0 2.2 1.0 ! A.1445 at -2.55e+06 assign (resid 576 and name HB#) (resid 594 and name HD2) 3.0 1.2 0.8 ! A.1454 at -1.30e+07 assign (resid 576 and name HB#) (resid 594 and name HG1) 4.0 2.2 1.5 ! A.1455 at -3.78e+06 assign (resid 576 and name HB#) (resid 594 and name HG2) 3.0 1.2 0.8 ! A.1456 at -2.07e+07 assign (resid 576 and name HN) (resid 594 and name HB1) 4.0 2.2 1.0 ! A.1473 at 3.64e+06 assign (resid 576 and name HN) (resid 594 and name HG1) 3.0 1.2 0.8 ! A.1474 at 7.40e+06 assign (resid 576 and name HN) (resid 594 and name HG2) 3.0 1.2 0.5 ! A.1475 at 8.55e+06 assign (resid 576 and name HN) (resid 594 and name HD1) 4.0 2.2 2.0 ! A.2187 at -1.63e+06 assign (resid 576 and name HB#) (resid 595 and name HA) 4.0 2.2 1.5 ! A.1457 at -4.31e+06 assign (resid 576 and name HN) (resid 595 and name HA) 3.0 1.2 0.5 ! A.1476 at 2.76e+07 assign (resid 576 and name HB#) (resid 596 and name HN) 4.0 2.2 2.5 ! A.1458 at -1.32e+06 assign (resid 576 and name HN) (resid 596 and name HN) 4.0 2.2 1.1 ! A.1477 at 6.08e+06 assign (resid 576 and name HB#) (resid 603 and name HD1#) 4.0 2.2 2.0 ! A.1459 at -3.05e+06 ! F577 assign (resid 577 and name HB1) (resid 577 and name HN) 3.0 1.2 0.5 ! A.1484 at -8.88e+06 assign (resid 577 and name HB2) (resid 577 and name HN) 3.0 1.2 0.5 ! A.1485 at -1.15e+07 assign (resid 577 and name HB1) (resid 578 and name HN) 3.0 1.2 0.5 ! A.1486 at -1.04e+07 assign (resid 577 and name HB2) (resid 578 and name HN) 3.0 1.2 0.5 ! A.1487 at -8.54e+06 assign (resid 577 and name HN) (resid 578 and name HA) 4.0 2.2 1.0 ! A.1497 at 2.28e+06 assign (resid 577 and name HN) (resid 578 and name HN) 2.5 0.7 0.4 ! A.1498 at 6.43e+07 assign (resid 577 and name HB1) (resid 578 and name HB1) 4.0 2.2 2.0 ! A.1504 at -1.30e+06 assign (resid 577 and name HB1) (resid 578 and name HB2) 4.0 2.2 1.0 ! A.1505 at -2.54e+06 assign (resid 577 and name HA) (resid 578 and name HN) 3.0 1.2 0.5 ! A.1520 at 1.33e+07 assign (resid 577 and name HN) (resid 579 and name HN) 3.0 1.2 0.5 ! A.1499 at 1.58e+07 assign (resid 577 and name HN) (resid 579 and name HD1#) 4.0 2.2 1.5 ! A.1548 at -3.66e+06 assign (resid 577 and name HA) (resid 579 and name HN) 4.0 2.2 1.0 ! A.1567 at 2.58e+06 assign (resid 577 and name HN) (resid 582 and name HD2#) 4.0 2.2 2.5 ! A.1500 at 1.38e+06 assign (resid 577 and name HN) (resid 595 and name HA) 3.0 1.2 2.0 ! A.1501 at 6.27e+06 assign (resid 577 and name HB1) (resid 599 and name HB2) 4.0 2.2 1.0 ! A.1488 at -1.96e+06 assign (resid 577 and name HB1) (resid 599 and name HB1) 4.0 2.2 1.0 ! A.2413 at -5.19e+06 assign (resid 577 and name HB1) (resid 603 and name HD2#) 3.0 1.2 1.6 ! A.2618 at -7.37e+06 assign (resid 577 and name HB2) (resid 603 and name HD2#) 3.0 1.2 1.4 ! A.2619 at -1.10e+07 assign (resid 577 and name HN) (resid 603 and name HD2#) 4.0 2.2 3.0 ! A.2620 at -4.18e+06 ! C578 assign (resid 578 and name HB1) (resid 578 and name HN) 3.0 1.2 0.5 ! A.1510 at -8.48e+06 assign (resid 578 and name HB2) (resid 578 and name HN) 3.0 1.2 0.9 ! A.1511 at -9.26e+06 assign (resid 578 and name HB1) (resid 579 and name HD1#) 4.0 2.2 2.5 ! A.1512 at -1.54e+06 assign (resid 578 and name HB1) (resid 579 and name HN) 4.0 2.2 1.0 ! A.1513 at -2.77e+06 assign (resid 578 and name HB2) (resid 579 and name HN) 4.0 2.2 1.0 ! A.1514 at -2.72e+06 assign (resid 578 and name HN) (resid 579 and name HD1#) 3.0 1.2 1.0 ! A.1527 at 1.01e+07 assign (resid 578 and name HN) (resid 579 and name HG) 4.0 2.2 1.0 ! A.1528 at 4.20e+06 assign (resid 578 and name HN) (resid 579 and name HN) 2.5 0.7 0.7 ! A.1529 at 5.24e+07 assign (resid 578 and name HN) (resid 579 and name HA) 4.0 2.2 1.0 ! A.1533 at -5.24e+06 assign (resid 578 and name HA) (resid 579 and name HG) 4.0 2.2 1.0 ! A.1562 at -3.01e+06 assign (resid 578 and name HA) (resid 579 and name HN) 3.0 1.2 0.5 ! A.1569 at 1.44e+07 assign (resid 578 and name HB1) (resid 580 and name HD1) 4.0 2.2 2.0 ! A.1515 at -1.46e+06 assign (resid 578 and name HB1) (resid 580 and name HG2) 4.0 2.2 1.6 ! A.1516 at -2.77e+06 assign (resid 578 and name HB2) (resid 580 and name HN) 4.0 2.2 2.0 ! A.1517 at -1.46e+06 assign (resid 578 and name HN) (resid 580 and name HG2) 4.0 2.2 1.2 ! A.1530 at 3.31e+06 assign (resid 578 and name HN) (resid 580 and name HN) 3.0 1.2 1.4 ! A.1604 at 6.74e+06 assign (resid 578 and name HN) (resid 595 and name HA) 4.0 2.2 1.0 ! A.1532 at 1.87e+06 ! L579 assign (resid 579 and name HA) (resid 579 and name HG) 3.0 1.2 0.3 ! A.1534 at -7.32e+06 assign (resid 579 and name HB1) (resid 579 and name HN) 4.0 2.2 1.0 ! A.1543 at -4.54e+06 assign (resid 579 and name HB2) (resid 579 and name HN) 4.0 2.2 1.0 ! A.1544 at -3.40e+06 assign (resid 579 and name HD1#) (resid 579 and name HA) 2.5 0.7 1.1 ! A.1550 at -6.06e+07 assign (resid 579 and name HD1#) (resid 579 and name HB1) 3.0 1.2 0.8 ! A.1551 at -2.66e+07 assign (resid 579 and name HD1#) (resid 579 and name HB2) 3.0 1.2 0.8 ! A.1552 at -3.38e+07 assign (resid 579 and name HD1#) (resid 579 and name HN) 3.0 1.2 1.5 ! A.1554 at -3.33e+07 !! relaxed assign (resid 579 and name HD2#) (resid 579 and name HA) 3.0 1.2 0.8 ! A.1556 at -1.32e+07 assign (resid 579 and name HD2#) (resid 579 and name HB1) 2.5 0.7 0.7 ! A.1557 at -5.01e+07 assign (resid 579 and name HD2#) (resid 579 and name HB2) 2.5 0.7 0.7 ! A.1558 at -4.49e+07 assign (resid 579 and name HD2#) (resid 579 and name HN) 4.0 2.2 1.5 ! A.1560 at -5.69e+06 assign (resid 579 and name HG) (resid 579 and name HN) 3.0 1.2 0.5 ! A.1565 at -8.25e+06 assign (resid 579 and name HA) (resid 580 and name HN) 3.0 1.2 0.5 ! A.1536 at -1.27e+07 assign (resid 579 and name HB1) (resid 580 and name HN) 4.0 2.2 2.0 ! A.1545 at -1.23e+06 assign (resid 579 and name HB2) (resid 580 and name HN) 4.0 2.2 1.0 ! A.1546 at -2.28e+06 assign (resid 579 and name HD1#) (resid 580 and name HN) 3.0 1.2 1.3 ! A.1606 at 1.00e+07 assign (resid 579 and name HN) (resid 580 and name HN) 3.0 1.2 0.5 ! A.1575 at 1.52e+07 assign (resid 579 and name HG) (resid 580 and name HN) 4.0 2.2 1.0 ! A.1607 at 3.00e+06 ! K580 assign (resid 580 and name HA) (resid 580 and name HD1) 4.0 2.2 1.3 ! A.1578 at -4.84e+07 assign (resid 580 and name HA) (resid 580 and name HG2) 3.0 1.2 0.7 ! A.1579 at -2.69e+07 assign (resid 580 and name HB1) (resid 580 and name HD1) 2.5 0.7 0.9 ! A.1583 at -7.62e+07 assign (resid 580 and name HB1) (resid 580 and name HE1) 3.0 1.2 1.6 ! A.1584 at -8.12e+06 assign (resid 580 and name HB1) (resid 580 and name HN) 3.0 1.2 0.5 ! A.1586 at -2.56e+07 assign (resid 580 and name HD1) (resid 580 and name HN) 4.0 2.2 1.0 ! A.1591 at -4.69e+06 assign (resid 580 and name HE1) (resid 580 and name HG2) 2.5 0.7 0.6 ! A.1594 at -9.29e+07 assign (resid 580 and name HG1) (resid 580 and name HE1) 3.0 1.2 0.3 ! A.1598 at -3.60e+07 assign (resid 580 and name HG2) (resid 580 and name HN) 3.0 1.2 0.5 ! A.1600 at -1.19e+07 assign (resid 580 and name HN) (resid 580 and name HE1) 4.0 2.2 1.0 ! A.1612 at 3.69e+06 assign (resid 580 and name HN) (resid 580 and name HG1) 2.5 0.7 0.9 ! A.1613 at 5.56e+07 assign (resid 580 and name HA) (resid 581 and name HN) 2.5 0.7 1.2 ! A.1581 at -1.18e+08 assign (resid 580 and name HB1) (resid 581 and name HN) 3.0 1.2 0.8 ! A.1587 at -1.04e+07 assign (resid 580 and name HD1) (resid 581 and name HN) 3.0 1.2 0.9 ! A.1654 at 3.64e+07 assign (resid 580 and name HE1) (resid 581 and name HN) 4.0 2.2 1.0 ! A.1655 at 2.80e+06 assign (resid 580 and name HG2) (resid 581 and name HN) 3.0 1.2 0.8 ! A.1656 at 3.31e+07 assign (resid 580 and name HN) (resid 581 and name HN) 3.0 1.2 0.5 ! A.1657 at 9.97e+06 assign (resid 580 and name HD1) (resid 582 and name HD1#) 3.0 1.2 2.0 ! A.1592 at -9.79e+06 assign (resid 580 and name HE1) (resid 582 and name HD1#) 3.0 1.2 1.4 ! A.1595 at -1.89e+07 assign (resid 580 and name HG2) (resid 582 and name HD1#) 4.0 2.2 1.5 ! A.1601 at -3.25e+06 assign (resid 580 and name HN) (resid 582 and name HD1#) 4.0 2.2 1.5 ! A.1615 at 2.47e+06 assign (resid 580 and name HN) (resid 582 and name HD2#) 4.0 2.2 2.7 ! A.1616 at 1.98e+06 assign (resid 580 and name HG1) (resid 582 and name HD1#) 3.0 1.2 1.8 ! A.1705 at -7.89e+06 assign (resid 580 and name HG1) (resid 582 and name HN) 4.0 2.2 1.7 ! A.1746 at 6.06e+06 !assign (resid 580 and name HN) (resid 596 and name HN) 4.0 2.2 2.9 ! A.1617 at 1.48e+06 assign (resid 580 and name HD1) (resid 596 and name HB1) 4.0 2.2 1.5 ! A.2280 at -4.25e+06 assign (resid 580 and name HG2) (resid 596 and name HB1) 4.0 2.2 2.0 ! A.2282 at -1.46e+06 assign (resid 580 and name HD1) (resid 596 and name HB2) 4.0 2.2 1.8 ! A.2281 at -4.38e+06 !! relaxed assign (resid 580 and name HD1) (resid 596 and name HN) 4.0 2.2 2.2 ! A.2305 at 3.50e+06 !! relaxed assign (resid 580 and name HG2) (resid 596 and name HN) 4.0 2.2 2.3 ! A.2306 at 3.22e+06 ! Q581 assign (resid 581 and name HB1) (resid 581 and name HN) 3.0 1.2 0.5 ! A.1629 at -3.31e+07 assign (resid 581 and name HB2) (resid 581 and name HN) 3.0 1.2 0.5 ! A.1630 at -2.80e+07 assign (resid 581 and name HG1) (resid 581 and name HA) 3.0 1.2 0.3 ! A.1639 at -1.29e+07 assign (resid 581 and name HG1) (resid 581 and name HE21) 3.0 1.2 0.6 ! A.1643 at -1.80e+07 assign (resid 581 and name HG1) (resid 581 and name HE22) 3.0 1.2 1.1 ! A.1645 at -7.85e+06 assign (resid 581 and name HG1) (resid 581 and name HN) 4.0 2.2 1.1 ! A.1647 at -7.93e+06 assign (resid 581 and name HG2) (resid 581 and name HA) 3.0 1.2 0.3 ! A.1640 at -1.46e+07 assign (resid 581 and name HG2) (resid 581 and name HE21) 3.0 1.2 0.3 ! A.1644 at -1.14e+07 assign (resid 581 and name HG2) (resid 581 and name HE22) 3.0 1.2 0.6 ! A.1646 at -8.69e+06 assign (resid 581 and name HG2) (resid 581 and name HN) 3.0 1.2 1.7 ! A.1648 at -7.78e+06 assign (resid 581 and name HE21) (resid 581 and name HB1) 3.0 1.2 0.3 ! A.1671 at 9.72e+06 assign (resid 581 and name HE21) (resid 581 and name HB2) 3.0 1.2 1.2 ! A.1673 at 9.72e+06 assign (resid 581 and name HE22) (resid 581 and name HB1) 3.0 1.2 0.9 ! A.1672 at 9.00e+06 assign (resid 581 and name HE22) (resid 581 and name HB2) 4.0 2.2 1.0 ! A.1674 at 9.00e+06 assign (resid 581 and name HN) (resid 581 and name HE21) 4.0 2.2 2.0 ! A.1661 at 1.78e+06 assign (resid 581 and name HA) (resid 582 and name HB2) 4.0 2.2 1.0 ! A.1623 at -4.07e+06 assign (resid 581 and name HA) (resid 582 and name HG) 4.0 2.2 2.5 ! A.1624 at -6.60e+06 assign (resid 581 and name HA) (resid 582 and name HN) 2.5 0.7 0.4 ! A.1625 at -6.11e+07 assign (resid 581 and name HB1) (resid 582 and name HN) 3.0 1.2 0.5 ! A.1631 at -5.76e+06 assign (resid 581 and name HB2) (resid 582 and name HN) 4.0 2.2 1.0 ! A.1632 at -3.59e+06 assign (resid 581 and name HG1) (resid 582 and name HN) 3.0 1.2 1.2 ! A.1650 at -9.35e+06 assign (resid 581 and name HG2) (resid 582 and name HB2) 4.0 2.2 1.6 ! A.1649 at -2.58e+06 assign (resid 581 and name HG2) (resid 582 and name HN) 3.0 1.2 0.5 ! A.1651 at -8.44e+06 assign (resid 581 and name HE21) (resid 582 and name HB1) 4.0 2.2 1.0 ! A.1679 at 2.89e+06 assign (resid 581 and name HE21) (resid 582 and name HN) 4.0 2.2 1.0 ! A.1681 at 4.17e+06 assign (resid 581 and name HE22) (resid 582 and name HB1) 4.0 2.2 2.0 ! A.1680 at 1.42e+06 assign (resid 581 and name HE22) (resid 582 and name HN) 4.0 2.2 1.0 ! A.1682 at 2.10e+06 assign (resid 581 and name HN) (resid 582 and name HD2#) 4.0 2.2 2.5 ! A.1664 at 1.39e+06 assign (resid 581 and name HN) (resid 582 and name HG) 4.0 2.2 2.4 ! A.1665 at 1.96e+06 assign (resid 581 and name HA) (resid 582 and name HA) 4.0 2.2 1.0 ! A.1685 at -2.75e+06 assign (resid 581 and name HB1) (resid 582 and name HA) 4.0 2.2 1.0 ! A.1686 at -4.14e+06 assign (resid 581 and name HG2) (resid 582 and name HA) 4.0 2.2 1.3 ! A.1687 at -2.35e+06 assign (resid 581 and name HN) (resid 582 and name HN) 4.0 2.2 1.0 ! A.1750 at 3.52e+06 assign (resid 581 and name HE21) (resid 583 and name HB1) 4.0 2.2 2.0 ! A.1683 at 1.75e+06 assign (resid 581 and name HE22) (resid 583 and name HB1) 4.0 2.2 1.0 ! A.1684 at 2.28e+06 ! L582 assign (resid 582 and name HA) (resid 582 and name HD1#) 2.5 0.7 0.7 ! A.1690 at -4.37e+07 assign (resid 582 and name HA) (resid 582 and name HD2#) 3.0 1.2 0.8 ! A.1691 at -8.42e+06 assign (resid 582 and name HA) (resid 582 and name HG) 3.0 1.2 0.3 ! A.1692 at -8.87e+06 assign (resid 582 and name HB1) (resid 582 and name HD2#) 3.0 1.2 0.8 ! A.1695 at -8.33e+06 assign (resid 582 and name HB1) (resid 582 and name HN) 4.0 2.2 1.0 ! A.1697 at -3.18e+06 assign (resid 582 and name HB2) (resid 582 and name HD2#) 3.0 1.2 0.8 ! A.1696 at -6.57e+06 assign (resid 582 and name HB2) (resid 582 and name HN) 4.0 2.2 1.0 ! A.1698 at -3.26e+06 assign (resid 582 and name HD1#) (resid 582 and name HN) 3.0 1.2 1.3 ! A.1708 at -1.39e+07 assign (resid 582 and name HD2#) (resid 582 and name HN) 4.0 2.2 1.0 ! A.1729 at -8.53e+06 assign (resid 582 and name HG) (resid 582 and name HN) 3.0 1.2 1.8 ! A.1742 at -6.01e+06 assign (resid 582 and name HD1#) (resid 583 and name HA) 4.0 2.2 1.5 ! A.1757 at -4.30e+06 assign (resid 582 and name HG) (resid 583 and name HA) 4.0 2.2 1.0 ! A.1758 at -4.05e+06 assign (resid 582 and name HA) (resid 583 and name HB1) 4.0 2.2 1.0 ! A.1763 at -2.58e+06 assign (resid 582 and name HA) (resid 583 and name HN) 2.5 0.7 0.4 ! A.1773 at 4.71e+07 assign (resid 582 and name HB1) (resid 583 and name HN) 3.0 1.2 0.5 ! A.1774 at 1.94e+07 assign (resid 582 and name HD1#) (resid 583 and name HN) 3.0 1.2 1.0 ! A.1775 at 2.16e+07 assign (resid 582 and name HD2#) (resid 583 and name HN) 3.0 1.2 1.0 ! A.1776 at 6.46e+06 assign (resid 582 and name HG) (resid 583 and name HN) 3.0 1.2 0.5 ! A.1777 at 7.96e+06 assign (resid 582 and name HD1#) (resid 586 and name HN) 4.0 2.2 1.5 ! A.1849 at 2.61e+06 assign (resid 582 and name HD2#) (resid 586 and name HN) 4.0 2.2 2.5 ! A.1850 at 1.08e+06 assign (resid 582 and name HD1#) (resid 587 and name HA) 3.0 1.2 0.8 ! A.1709 at -6.92e+06 assign (resid 582 and name HD1#) (resid 587 and name HB1) 3.0 1.2 0.8 ! A.1710 at -1.06e+07 assign (resid 582 and name HD2#) (resid 587 and name HA) 3.0 1.2 0.8 ! A.1865 at -7.40e+06 assign (resid 582 and name HD2#) (resid 587 and name HB2) 3.0 1.2 0.8 ! A.1731 at -1.42e+07 assign (resid 582 and name HD2#) (resid 587 and name HB1) 3.0 1.2 0.8 ! A.1873 at -6.83e+06 assign (resid 582 and name HD1#) (resid 587 and name HN) 4.0 2.2 1.1 ! A.1881 at 8.16e+06 assign (resid 582 and name HD2#) (resid 587 and name HN) 4.0 2.2 1.5 ! A.1882 at 5.18e+06 assign (resid 582 and name HD1#) (resid 588 and name HN) 3.0 1.2 1.0 ! A.1711 at -6.77e+06 assign (resid 582 and name HD2#) (resid 588 and name HN) 3.0 1.2 1.0 ! A.1959 at 5.87e+06 assign (resid 582 and name HD2#) (resid 594 and name HG1) 3.0 1.2 0.8 ! A.1733 at -6.42e+06 assign (resid 582 and name HD2#) (resid 594 and name HA) 4.0 2.2 1.5 ! A.2158 at -5.47e+06 assign (resid 582 and name HD2#) (resid 594 and name HB1) 4.0 2.2 1.5 ! A.2172 at -5.18e+06 assign (resid 582 and name HD2#) (resid 594 and name HB2) 3.0 1.2 0.8 ! A.2173 at -1.43e+07 assign (resid 582 and name HD2#) (resid 594 and name HD1) 4.0 2.2 2.5 ! A.2188 at -1.33e+06 assign (resid 582 and name HD2#) (resid 594 and name HD2) 4.0 2.2 2.5 ! A.2189 at -1.34e+06 assign (resid 582 and name HD2#) (resid 594 and name HG2) 4.0 2.2 1.5 ! A.2205 at -4.33e+06 assign (resid 582 and name HD1#) (resid 595 and name HA) 4.0 2.2 1.5 ! A.1712 at -3.49e+06 assign (resid 582 and name HD2#) (resid 595 and name HA) 4.0 2.2 1.5 ! A.1734 at -5.01e+06 assign (resid 582 and name HD2#) (resid 595 and name HN) 3.0 1.2 1.0 ! A.2256 at 6.63e+06 assign (resid 582 and name HD1#) (resid 595 and name HN) 4.0 2.2 1.5 ! A.2255 at 3.24e+06 assign (resid 582 and name HD1#) (resid 596 and name HA) 3.0 1.2 0.8 ! A.1713 at -2.43e+07 assign (resid 582 and name HD1#) (resid 596 and name HB1) 3.0 1.2 0.8 ! A.1714 at -1.79e+07 assign (resid 582 and name HD1#) (resid 596 and name HB2) 3.0 1.2 0.8 ! A.1715 at -2.32e+07 assign (resid 582 and name HD1#) (resid 596 and name HN) 3.0 1.2 1.0 ! A.1716 at -9.41e+06 assign (resid 582 and name HD2#) (resid 596 and name HA) 3.0 1.2 0.8 ! A.1736 at -6.25e+06 assign (resid 582 and name HD2#) (resid 596 and name HB1) 4.0 2.2 1.5 ! A.1737 at -1.83e+06 assign (resid 582 and name HD2#) (resid 596 and name HN) 3.0 1.2 1.0 ! A.2308 at 8.46e+06 assign (resid 582 and name HG) (resid 596 and name HB1) 4.0 2.2 2.0 ! A.2287 at -1.33e+06 assign (resid 582 and name HD2#) (resid 596 and name HB2) 4.0 2.2 1.5 ! A.2286 at -2.16e+06 assign (resid 582 and name HG) (resid 596 and name HB2) 4.0 2.2 2.3 ! A.2288 at -1.61e+06 assign (resid 582 and name HD1#) (resid 597 and name HN) 3.0 1.2 1.0 ! A.1717 at -8.49e+06 assign (resid 582 and name HD2#) (resid 597 and name HN) 4.0 2.2 1.5 ! A.2344 at 1.83e+06 ! N583 assign (resid 583 and name HB1) (resid 583 and name HD21) 4.0 2.2 1.0 ! A.1767 at -2.86e+06 assign (resid 583 and name HB1) (resid 583 and name HN) 3.0 1.2 0.5 ! A.1769 at -1.09e+07 assign (resid 583 and name HB2) (resid 583 and name HD21) 4.0 2.2 1.0 ! A.1768 at -4.03e+06 assign (resid 583 and name HB2) (resid 583 and name HN) 3.0 1.2 0.8 ! A.1770 at -9.77e+06 assign (resid 583 and name HD22) (resid 583 and name HB2) 4.0 2.2 1.0 ! A.1782 at 4.01e+06 assign (resid 583 and name HA) (resid 584 and name HN) 3.0 1.2 0.5 ! A.1762 at -1.43e+07 assign (resid 583 and name HB1) (resid 584 and name HN) 4.0 2.2 1.0 ! A.1771 at -2.21e+06 assign (resid 583 and name HB2) (resid 584 and name HN) 4.0 2.2 1.0 ! A.1772 at -2.96e+06 assign (resid 583 and name HA) (resid 584 and name HA) 4.0 2.2 1.0 ! A.1786 at -2.75e+06 assign (resid 583 and name HN) (resid 584 and name HN) 4.0 2.2 2.0 ! A.1810 at 1.43e+06 assign (resid 583 and name HB1) (resid 585 and name HN) 4.0 2.2 1.0 ! A.1827 at 2.63e+06 assign (resid 583 and name HB2) (resid 585 and name HN) 4.0 2.2 2.0 ! A.1828 at 9.60e+05 assign (resid 583 and name HD22) (resid 586 and name HG2#) 4.0 2.2 1.5 ! A.1842 at -2.65e+06 assign (resid 583 and name HN) (resid 586 and name HN) 4.0 2.2 1.0 ! A.1851 at 2.78e+06 ! K584 assign (resid 584 and name HA) (resid 584 and name HD1) 4.0 2.2 1.0 ! A.1788 at -5.15e+06 assign (resid 584 and name HA) (resid 584 and name HG1) 3.0 1.2 0.3 ! A.1789 at -2.72e+07 assign (resid 584 and name HB1) (resid 584 and name HE1) 3.0 1.2 0.7 ! A.1795 at -6.84e+06 assign (resid 584 and name HB1) (resid 584 and name HN) 4.0 2.2 1.0 ! A.1797 at -5.04e+06 assign (resid 584 and name HD1) (resid 584 and name HN) 4.0 2.2 2.0 ! A.1799 at -1.59e+06 assign (resid 584 and name HG1) (resid 584 and name HN) 4.0 2.2 2.0 ! A.1804 at -1.35e+06 assign (resid 584 and name HA) (resid 585 and name HN) 3.0 1.2 0.5 ! A.1790 at -5.91e+06 assign (resid 584 and name HB1) (resid 585 and name HN) 3.0 1.2 0.5 ! A.1829 at 8.90e+06 assign (resid 584 and name HD1) (resid 585 and name HN) 4.0 2.2 1.0 ! A.1800 at -2.41e+06 assign (resid 584 and name HG1) (resid 585 and name HN) 3.0 1.2 0.5 ! A.1830 at 7.76e+06 assign (resid 584 and name HB1) (resid 585 and name HA1) 4.0 2.2 1.0 ! A.1814 at -3.76e+06 assign (resid 584 and name HD1) (resid 585 and name HA1) 4.0 2.2 2.0 ! A.1816 at -1.45e+06 assign (resid 584 and name HG1) (resid 585 and name HA1) 4.0 2.2 1.0 ! A.1817 at -4.92e+06 assign (resid 584 and name HB1) (resid 585 and name HA2) 4.0 2.2 1.0 ! A.1815 at -1.96e+06 assign (resid 584 and name HG1) (resid 585 and name HA2) 4.0 2.2 1.0 ! A.1818 at -3.61e+06 assign (resid 584 and name HA) (resid 586 and name HN) 4.0 2.2 1.0 ! A.1791 at -3.44e+06 assign (resid 584 and name HB1) (resid 586 and name HN) 4.0 2.2 1.3 ! A.1852 at 4.05e+06 assign (resid 584 and name HG1) (resid 586 and name HN) 4.0 2.2 1.0 ! A.1853 at 2.39e+06 assign (resid 584 and name HB1) (resid 587 and name HN) 4.0 2.2 1.6 ! A.1883 at 3.30e+06 assign (resid 584 and name HD1) (resid 587 and name HN) 4.0 2.2 2.0 ! A.1884 at 1.77e+06 assign (resid 584 and name HG1) (resid 587 and name HN) 4.0 2.2 1.0 ! A.1885 at 2.07e+06 ! G585 assign (resid 585 and name HA1) (resid 586 and name HG2#) 3.0 1.2 0.8 ! A.1823 at -6.52e+06 assign (resid 585 and name HA1) (resid 586 and name HN) 3.0 1.2 0.5 ! A.1825 at -7.99e+06 assign (resid 585 and name HA2) (resid 586 and name HG2#) 3.0 1.2 0.8 ! A.1824 at -6.64e+06 assign (resid 585 and name HA2) (resid 586 and name HN) 3.0 1.2 0.5 ! A.1826 at -7.04e+06 assign (resid 585 and name HN) (resid 586 and name HN) 3.0 1.2 0.5 ! A.1833 at 8.12e+06 assign (resid 585 and name HN) (resid 586 and name HG2#) 4.0 2.2 1.5 ! A.1844 at -2.35e+06 assign (resid 585 and name HN) (resid 587 and name HN) 4.0 2.2 1.0 ! A.1834 at 3.74e+06 assign (resid 585 and name HA1) (resid 587 and name HN) 3.0 1.2 1.9 ! A.1886 at 1.83e+07 assign (resid 585 and name HA2) (resid 587 and name HN) 4.0 2.2 1.0 ! A.1887 at 3.73e+06 ! T586 assign (resid 586 and name HA) (resid 586 and name HG2#) 3.0 1.2 0.8 ! A.1836 at -2.77e+07 assign (resid 586 and name HB) (resid 586 and name HN) 4.0 2.2 1.0 ! A.1839 at -4.83e+06 assign (resid 586 and name HG2#) (resid 586 and name HN) 3.0 1.2 1.0 ! A.1847 at -2.19e+07 assign (resid 586 and name HB) (resid 587 and name HN) 3.0 1.2 1.5 ! A.1890 at 6.68e+06 assign (resid 586 and name HG2#) (resid 587 and name HN) 4.0 2.2 1.5 ! A.1848 at -3.91e+06 assign (resid 586 and name HN) (resid 587 and name HA) 4.0 2.2 1.0 ! A.1860 at 3.21e+06 assign (resid 586 and name HN) (resid 587 and name HB1) 3.0 1.2 1.7 ! A.1861 at 9.67e+06 assign (resid 586 and name HN) (resid 587 and name HB2) 4.0 2.2 1.1 ! A.1862 at 7.14e+06 assign (resid 586 and name HN) (resid 587 and name HN) 2.5 0.7 0.4 ! A.1863 at 4.42e+07 assign (resid 586 and name HA) (resid 587 and name HN) 3.0 1.2 0.5 ! A.1889 at 4.23e+07 assign (resid 586 and name HB) (resid 597 and name HG1) 4.0 2.2 1.1 ! A.1841 at -6.77e+06 assign (resid 586 and name HB) (resid 597 and name HB1) 4.0 2.2 1.0 ! A.2329 at -5.27e+06 ! F587 assign (resid 587 and name HB1) (resid 587 and name HN) 4.0 2.2 1.0 ! A.1877 at -4.69e+06 assign (resid 587 and name HB2) (resid 587 and name HN) 3.0 1.2 0.8 ! A.1878 at -6.03e+06 assign (resid 587 and name HA) (resid 588 and name HG1) 4.0 2.2 1.3 ! A.1869 at -3.45e+06 assign (resid 587 and name HA) (resid 588 and name HG2) 4.0 2.2 1.0 ! A.1870 at -4.61e+06 assign (resid 587 and name HA) (resid 588 and name HN) 2.5 0.7 0.4 ! A.1960 at 6.31e+07 assign (resid 587 and name HB1) (resid 588 and name HN) 2.5 0.7 1.2 ! A.1961 at 4.96e+07 assign (resid 587 and name HB2) (resid 588 and name HN) 3.0 1.2 0.5 ! A.1880 at -6.54e+06 assign (resid 587 and name HN) (resid 588 and name HN) 3.0 1.2 1.4 ! A.1895 at 1.07e+07 assign (resid 587 and name HB1) (resid 588 and name HA) 4.0 2.2 1.5 ! A.1897 at -2.76e+06 assign (resid 587 and name HB1) (resid 594 and name HA) 4.0 2.2 1.9 ! A.2159 at -2.89e+06 assign (resid 587 and name HB1) (resid 594 and name HB2) 4.0 2.2 1.4 ! A.2174 at -2.44e+06 assign (resid 587 and name HA) (resid 597 and name HG1) 4.0 2.2 2.0 ! A.1872 at -1.71e+06 !assign (resid 587 and name HN) (resid 597 and name HG1) 4.0 2.2 2.0 ! A.1896 at 1.55e+06 assign (resid 587 and name HA) (resid 597 and name HN) 4.0 2.2 1.0 ! A.2345 at 2.77e+06 ! K588 assign (resid 588 and name HA) (resid 588 and name HE1) 4.0 2.2 1.0 ! A.1900 at -4.07e+06 assign (resid 588 and name HB1) (resid 588 and name HE1) 4.0 2.2 1.0 ! A.1908 at -3.08e+06 assign (resid 588 and name HB1) (resid 588 and name HN) 3.0 1.2 0.8 ! A.1910 at -6.58e+06 assign (resid 588 and name HB2) (resid 588 and name HE1) 4.0 2.2 1.0 ! A.1909 at -2.74e+06 assign (resid 588 and name HB2) (resid 588 and name HN) 4.0 2.2 1.0 ! A.1911 at -3.70e+06 assign (resid 588 and name HD1) (resid 588 and name HA) 3.0 1.2 0.7 ! A.1920 at -1.70e+07 assign (resid 588 and name HD2) (resid 588 and name HA) 3.0 1.2 0.8 ! A.1921 at -1.32e+07 assign (resid 588 and name HE1) (resid 588 and name HN) 4.0 2.2 2.0 ! A.1936 at -1.09e+06 assign (resid 588 and name HE2) (resid 588 and name HA) 4.0 2.2 1.0 ! A.1929 at -4.27e+06 assign (resid 588 and name HE2) (resid 588 and name HB1) 3.0 1.2 0.9 ! A.1931 at -1.56e+07 assign (resid 588 and name HE2) (resid 588 and name HB2) 3.0 1.2 1.3 ! A.1933 at -1.18e+07 assign (resid 588 and name HE2) (resid 588 and name HN) 4.0 2.2 2.0 ! A.1937 at -1.35e+06 assign (resid 588 and name HG1) (resid 588 and name HA) 3.0 1.2 0.7 ! A.1942 at -6.09e+06 assign (resid 588 and name HG1) (resid 588 and name HE1) 3.0 1.2 0.3 ! A.1945 at -6.14e+06 assign (resid 588 and name HG1) (resid 588 and name HN) 4.0 2.2 1.0 ! A.1949 at -5.01e+06 assign (resid 588 and name HG2) (resid 588 and name HA) 4.0 2.2 1.0 ! A.1943 at -4.70e+06 assign (resid 588 and name HG2) (resid 588 and name HE1) 4.0 2.2 1.0 ! A.1946 at -5.46e+06 assign (resid 588 and name HG2) (resid 588 and name HN) 4.0 2.2 1.0 ! A.1950 at -3.14e+06 assign (resid 588 and name HA) (resid 589 and name HB1) 3.0 1.2 1.1 ! A.1902 at -7.76e+06 assign (resid 588 and name HA) (resid 589 and name HN) 2.5 0.7 0.4 ! A.1903 at -7.05e+07 assign (resid 588 and name HB1) (resid 589 and name HN) 3.0 1.2 0.5 ! A.2003 at 2.22e+07 assign (resid 588 and name HB2) (resid 589 and name HN) 2.5 0.7 1.3 ! A.2004 at 4.32e+07 assign (resid 588 and name HD1) (resid 589 and name HN) 4.0 2.2 1.0 ! A.1925 at -3.84e+06 assign (resid 588 and name HD2) (resid 589 and name HN) 4.0 2.2 1.0 ! A.1926 at -2.37e+06 assign (resid 588 and name HE1) (resid 589 and name HN) 4.0 2.2 1.4 ! A.1938 at -3.65e+06 assign (resid 588 and name HE2) (resid 589 and name HN) 4.0 2.2 1.0 ! A.1939 at -2.23e+06 assign (resid 588 and name HG1) (resid 589 and name HN) 4.0 2.2 1.0 ! A.1951 at -2.45e+06 assign (resid 588 and name HG2) (resid 589 and name HN) 4.0 2.2 2.0 ! A.1952 at -1.49e+06 assign (resid 588 and name HN) (resid 589 and name HN) 3.0 1.2 1.3 ! A.1970 at 6.94e+06 assign (resid 588 and name HA) (resid 589 and name HA) 4.0 2.2 1.0 ! A.1977 at -3.69e+06 assign (resid 588 and name HB1) (resid 589 and name HA) 4.0 2.2 1.0 ! A.1978 at -4.35e+06 assign (resid 588 and name HB2) (resid 589 and name HA) 4.0 2.2 1.0 ! A.1979 at -1.91e+06 assign (resid 588 and name HB1) (resid 595 and name HB2) 4.0 2.2 1.0 ! A.1914 at -4.27e+06 assign (resid 588 and name HB1) (resid 595 and name HN) 4.0 2.2 1.0 ! A.1915 at -1.96e+06 assign (resid 588 and name HB2) (resid 595 and name HN) 4.0 2.2 1.0 ! A.2258 at 3.68e+06 assign (resid 588 and name HN) (resid 595 and name HB2) 4.0 2.2 1.0 ! A.1971 at 5.23e+06 assign (resid 588 and name HN) (resid 595 and name HN) 3.0 1.2 0.5 ! A.1972 at 7.33e+06 assign (resid 588 and name HB1) (resid 595 and name HB1) 4.0 2.2 1.0 ! A.2232 at -2.26e+06 assign (resid 588 and name HB2) (resid 595 and name HB1) 4.0 2.2 2.0 ! A.2234 at -1.60e+06 assign (resid 588 and name HN) (resid 595 and name HB1) 4.0 2.2 1.0 ! A.2236 at -2.10e+06 assign (resid 588 and name HB2) (resid 595 and name HB2) 4.0 2.2 1.0 ! A.2235 at -2.39e+06 assign (resid 588 and name HA) (resid 595 and name HN) 4.0 2.2 1.0 ! A.2257 at 3.34e+06 assign (resid 588 and name HN) (resid 596 and name HA) 3.0 1.2 0.5 ! A.2274 at -6.88e+06 assign (resid 588 and name HB1) (resid 597 and name HA) 3.0 1.2 0.8 ! A.2316 at -7.61e+06 assign (resid 588 and name HD1) (resid 597 and name HA) 4.0 2.2 1.0 ! A.1927 at -2.19e+06 assign (resid 588 and name HE1) (resid 597 and name HA) 4.0 2.2 2.0 ! A.1940 at -1.29e+06 assign (resid 588 and name HE2) (resid 597 and name HA) 4.0 2.2 1.0 ! A.1941 at -1.81e+06 assign (resid 588 and name HG1) (resid 597 and name HA) 3.0 1.2 0.3 ! A.1953 at -6.31e+06 assign (resid 588 and name HG2) (resid 597 and name HA) 3.0 1.2 0.3 ! A.1954 at -5.88e+06 assign (resid 588 and name HN) (resid 597 and name HA) 4.0 2.2 1.0 ! A.1974 at 2.85e+06 assign (resid 588 and name HN) (resid 597 and name HB1) 4.0 2.2 1.3 ! A.1975 at 2.02e+06 assign (resid 588 and name HN) (resid 597 and name HN) 4.0 2.2 1.0 ! A.2346 at 2.89e+06 assign (resid 588 and name HG1) (resid 597 and name HB1) 4.0 2.2 1.0 ! A.2330 at -2.58e+06 assign (resid 588 and name HG2) (resid 597 and name HB1) 3.0 1.2 0.8 ! A.2331 at -5.95e+06 assign (resid 588 and name HG1) (resid 597 and name HG1) 4.0 2.2 1.2 ! A.2338 at -4.69e+06 assign (resid 588 and name HD1) (resid 597 and name HE21) 4.0 2.2 1.0 ! A.2355 at 2.30e+06 assign (resid 588 and name HD2) (resid 597 and name HE21) 3.0 1.2 0.6 ! A.2357 at 8.26e+06 assign (resid 588 and name HD1) (resid 597 and name HE22) 4.0 2.2 1.0 ! A.2356 at 4.52e+06 assign (resid 588 and name HB1) (resid 600 and name HB2) 4.0 2.2 1.0 ! A.1918 at -5.02e+06 assign (resid 588 and name HB2) (resid 600 and name HB2) 4.0 2.2 1.0 ! A.1919 at -1.82e+06 assign (resid 588 and name HG1) (resid 600 and name HB2) 4.0 2.2 1.0 ! A.1956 at -3.65e+06 assign (resid 588 and name HG2) (resid 600 and name HB1) 4.0 2.2 1.0 ! A.1955 at -1.83e+06 assign (resid 588 and name HG2) (resid 600 and name HB2) 4.0 2.2 1.0 ! A.1957 at -2.26e+06 assign (resid 588 and name HB1) (resid 600 and name HN) 4.0 2.2 1.0 ! A.2465 at 2.51e+06 assign (resid 588 and name HG1) (resid 600 and name HN) 4.0 2.2 1.0 ! A.2466 at 4.69e+06 assign (resid 588 and name HG1) (resid 601 and name HN) 4.0 2.2 1.0 ! A.2520 at 2.05e+06 ! E589 assign (resid 589 and name HA) (resid 589 and name HG1) 3.0 1.2 0.7 ! A.1981 at -1.76e+07 assign (resid 589 and name HA) (resid 589 and name HG2) 3.0 1.2 0.7 ! A.1982 at -1.76e+07 assign (resid 589 and name HB1) (resid 589 and name HN) 3.0 1.2 0.5 ! A.1991 at -1.55e+07 assign (resid 589 and name HB2) (resid 589 and name HN) 3.0 1.2 1.0 ! A.1992 at -1.52e+07 assign (resid 589 and name HG1) (resid 589 and name HN) 3.0 1.2 0.9 ! A.1995 at -8.94e+06 assign (resid 589 and name HG2) (resid 589 and name HN) 3.0 1.2 0.5 ! A.1996 at -1.08e+07 assign (resid 589 and name HA) (resid 590 and name HA) 4.0 2.2 1.0 ! A.1984 at -2.61e+06 assign (resid 589 and name HA) (resid 590 and name HN) 2.5 0.7 0.4 ! A.1985 at -5.77e+07 assign (resid 589 and name HG1) (resid 590 and name HN) 3.0 1.2 0.5 ! A.1997 at -9.90e+06 assign (resid 589 and name HG2) (resid 590 and name HN) 3.0 1.2 1.1 ! A.1998 at -8.56e+06 assign (resid 589 and name HB2) (resid 590 and name HN) 3.0 1.2 0.5 ! A.2031 at 3.14e+07 assign (resid 589 and name HN) (resid 590 and name HN) 3.0 1.2 1.3 ! A.2032 at 6.35e+06 assign (resid 589 and name HG1) (resid 592 and name HA) 4.0 2.2 1.0 ! A.1999 at -5.68e+06 assign (resid 589 and name HA) (resid 592 and name HN) 4.0 2.2 2.0 ! A.2116 at 1.76e+06 assign (resid 589 and name HB2) (resid 592 and name HN) 3.0 1.2 1.5 ! A.2117 at 1.17e+07 assign (resid 589 and name HG1) (resid 592 and name HN) 3.0 1.2 0.5 ! A.2118 at 1.37e+07 assign (resid 589 and name HA) (resid 593 and name HN) 3.0 1.2 1.2 ! A.2149 at 1.10e+07 assign (resid 589 and name HG1) (resid 593 and name HN) 4.0 2.2 1.0 ! A.2000 at -3.69e+06 assign (resid 589 and name HG2) (resid 593 and name HN) 4.0 2.2 1.3 ! A.2001 at -3.04e+06 assign (resid 589 and name HA) (resid 594 and name HA) 3.0 1.2 0.3 ! A.1987 at -1.52e+07 assign (resid 589 and name HN) (resid 594 and name HA) 4.0 2.2 1.0 ! A.2009 at 2.63e+06 assign (resid 589 and name HB2) (resid 594 and name HA) 3.0 1.2 0.3 ! A.2161 at -6.10e+06 assign (resid 589 and name HA) (resid 595 and name HB2) 4.0 2.2 2.0 ! A.1988 at -1.68e+06 assign (resid 589 and name HA) (resid 595 and name HN) 3.0 1.2 0.5 ! A.2260 at 1.10e+07 assign (resid 589 and name HB2) (resid 595 and name HN) 4.0 2.2 1.0 ! A.2261 at 4.74e+06 assign (resid 589 and name HN) (resid 595 and name HN) 4.0 2.2 1.0 ! A.2262 at 2.45e+06 assign (resid 589 and name HN) (resid 600 and name HB2) 4.0 2.2 1.0 ! A.2010 at 2.38e+06 ! Q590 assign (resid 590 and name HB1) (resid 590 and name HN) 4.0 2.2 1.0 ! A.2020 at -2.47e+06 assign (resid 590 and name HG1) (resid 590 and name HA) 3.0 1.2 0.3 ! A.2022 at -6.46e+06 assign (resid 590 and name HG1) (resid 590 and name HN) 4.0 2.2 1.0 ! A.2028 at -3.36e+06 assign (resid 590 and name HG2) (resid 590 and name HA) 3.0 1.2 0.7 ! A.2023 at -6.75e+06 assign (resid 590 and name HG2) (resid 590 and name HN) 4.0 2.2 1.0 ! A.2029 at -3.15e+06 assign (resid 590 and name HE21) (resid 590 and name HA) 3.0 1.2 0.3 ! A.2044 at 7.31e+06 assign (resid 590 and name HE21) (resid 590 and name HB1) 3.0 1.2 0.3 ! A.2046 at 7.61e+06 assign (resid 590 and name HE21) (resid 590 and name HB2) 3.0 1.2 0.3 ! A.2048 at 6.37e+06 assign (resid 590 and name HE21) (resid 590 and name HG1) 3.0 1.2 0.6 ! A.2050 at 6.11e+06 assign (resid 590 and name HE22) (resid 590 and name HA) 3.0 1.2 0.6 ! A.2045 at 6.08e+06 assign (resid 590 and name HE22) (resid 590 and name HB1) 4.0 2.2 1.0 ! A.2047 at 5.59e+06 assign (resid 590 and name HE22) (resid 590 and name HB2) 4.0 2.2 1.0 ! A.2049 at 4.83e+06 assign (resid 590 and name HE22) (resid 590 and name HG2) 4.0 2.2 1.0 ! A.2051 at 4.51e+06 assign (resid 590 and name HN) (resid 590 and name HB2) 4.0 2.2 1.0 ! A.2035 at 4.58e+06 assign (resid 590 and name HA) (resid 591 and name HN) 3.0 1.2 0.5 ! A.2015 at -1.81e+07 assign (resid 590 and name HB1) (resid 591 and name HB2) 4.0 2.2 1.0 ! A.2021 at -3.02e+06 assign (resid 590 and name HN) (resid 591 and name HB1) 4.0 2.2 1.9 ! A.2038 at 4.37e+06 assign (resid 590 and name HN) (resid 591 and name HB2) 4.0 2.2 1.0 ! A.2039 at 2.34e+06 assign (resid 590 and name HB1) (resid 591 and name HA) 4.0 2.2 1.3 ! A.2056 at -3.11e+06 assign (resid 590 and name HB2) (resid 591 and name HA) 4.0 2.2 2.3 ! A.2057 at -2.01e+06 assign (resid 590 and name HB2) (resid 591 and name HB2) 4.0 2.2 2.0 ! A.2064 at -1.23e+06 assign (resid 590 and name HG1) (resid 591 and name HB2) 4.0 2.2 1.0 ! A.2065 at -3.02e+06 assign (resid 590 and name HG2) (resid 591 and name HB2) 4.0 2.2 1.0 ! A.2066 at -2.61e+06 assign (resid 590 and name HB1) (resid 591 and name HD21) 4.0 2.2 1.0 ! A.2087 at 3.14e+06 assign (resid 590 and name HB2) (resid 591 and name HD21) 4.0 2.2 1.0 ! A.2089 at 2.13e+06 assign (resid 590 and name HG1) (resid 591 and name HD21) 4.0 2.2 2.0 ! A.2091 at 1.62e+06 assign (resid 590 and name HB1) (resid 591 and name HD22) 4.0 2.2 1.0 ! A.2088 at 3.30e+06 assign (resid 590 and name HB2) (resid 591 and name HD22) 4.0 2.2 2.0 ! A.2090 at 1.67e+06 assign (resid 590 and name HG1) (resid 591 and name HD22) 4.0 2.2 2.0 ! A.2092 at 1.40e+06 assign (resid 590 and name HB1) (resid 591 and name HN) 4.0 2.2 1.0 ! A.2080 at 2.95e+06 assign (resid 590 and name HB2) (resid 591 and name HN) 4.0 2.2 1.0 ! A.2081 at 2.10e+06 assign (resid 590 and name HG1) (resid 591 and name HN) 4.0 2.2 1.0 ! A.2082 at 3.86e+06 assign (resid 590 and name HN) (resid 593 and name HA) 4.0 2.2 1.0 ! A.2040 at 1.91e+06 assign (resid 590 and name HN) (resid 593 and name HN) 3.0 1.2 0.5 ! A.2041 at 4.05e+07 assign (resid 590 and name HN) (resid 594 and name HA) 3.0 1.2 1.2 ! A.2042 at 8.30e+06 assign (resid 590 and name HN) (resid 603 and name HD1#) 4.0 2.2 1.5 ! A.2043 at 2.12e+06 assign (resid 590 and name HE21) (resid 604 and name HA) 4.0 2.2 1.0 ! A.2052 at 2.45e+06 assign (resid 590 and name HE21) (resid 604 and name HB1) 4.0 2.2 1.0 ! A.2054 at 2.89e+06 assign (resid 590 and name HE22) (resid 604 and name HA) 4.0 2.2 1.0 ! A.2053 at 2.71e+06 assign (resid 590 and name HE22) (resid 604 and name HB1) 4.0 2.2 1.0 ! A.2055 at 2.72e+06 ! N591 assign (resid 591 and name HB1) (resid 591 and name HD21) 3.0 1.2 0.3 ! A.2071 at -8.67e+06 assign (resid 591 and name HB1) (resid 591 and name HD22) 4.0 2.2 1.0 ! A.2073 at -3.55e+06 assign (resid 591 and name HB2) (resid 591 and name HD21) 3.0 1.2 0.3 ! A.2072 at -1.11e+07 assign (resid 591 and name HB2) (resid 591 and name HD22) 3.0 1.2 0.6 ! A.2074 at -7.27e+06 assign (resid 591 and name HB2) (resid 591 and name HN) 4.0 2.2 1.0 ! A.2075 at -2.32e+06 assign (resid 591 and name HD21) (resid 591 and name HA) 4.0 2.2 1.0 ! A.2093 at 4.18e+06 assign (resid 591 and name HD22) (resid 591 and name HA) 4.0 2.2 1.0 ! A.2094 at 3.80e+06 assign (resid 591 and name HN) (resid 591 and name HB1) 4.0 2.2 1.0 ! A.2084 at 5.11e+06 assign (resid 591 and name HA) (resid 592 and name HN) 3.0 1.2 0.5 ! A.2061 at -3.71e+07 assign (resid 591 and name HB1) (resid 592 and name HN) 3.0 1.2 1.3 ! A.2076 at -6.67e+06 assign (resid 591 and name HB2) (resid 592 and name HN) 4.0 2.2 1.0 ! A.2077 at -5.68e+06 assign (resid 591 and name HN) (resid 592 and name HN) 3.0 1.2 0.5 ! A.2086 at 8.62e+06 assign (resid 591 and name HA) (resid 593 and name HN) 4.0 2.2 1.0 ! A.2062 at -4.06e+06 assign (resid 591 and name HB2) (resid 593 and name HG1) 4.0 2.2 2.0 ! A.2078 at -1.56e+06 assign (resid 591 and name HB2) (resid 593 and name HN) 4.0 2.2 1.0 ! A.2079 at -1.92e+06 ! D592 assign (resid 592 and name HB1) (resid 592 and name HN) 3.0 1.2 1.0 ! A.2109 at -1.32e+07 assign (resid 592 and name HB2) (resid 592 and name HN) 3.0 1.2 0.5 ! A.2110 at -1.16e+07 assign (resid 592 and name HA) (resid 593 and name HN) 3.0 1.2 0.5 ! A.2104 at -2.11e+07 assign (resid 592 and name HB1) (resid 593 and name HB1) 3.0 1.2 1.8 ! A.2111 at -6.16e+06 assign (resid 592 and name HB1) (resid 593 and name HN) 3.0 1.2 1.1 ! A.2114 at -8.31e+06 assign (resid 592 and name HB2) (resid 593 and name HB1) 4.0 2.2 2.4 ! A.2112 at -2.70e+06 !! relaxed assign (resid 592 and name HB2) (resid 593 and name HG2) 4.0 2.2 1.0 ! A.2113 at -2.10e+06 assign (resid 592 and name HB2) (resid 593 and name HN) 4.0 2.2 1.0 ! A.2115 at -4.65e+06 assign (resid 592 and name HN) (resid 593 and name HG2) 4.0 2.2 1.0 ! A.2123 at 3.54e+06 assign (resid 592 and name HN) (resid 593 and name HN) 3.0 1.2 0.5 ! A.2124 at 4.16e+07 assign (resid 592 and name HB1) (resid 593 and name HG1) 4.0 2.2 1.0 ! A.2142 at -4.63e+06 ! K593 assign (resid 593 and name HB1) (resid 593 and name HN) 3.0 1.2 0.8 ! A.2135 at -7.01e+06 assign (resid 593 and name HB2) (resid 593 and name HN) 4.0 2.2 1.0 ! A.2136 at -5.63e+06 assign (resid 593 and name HD1) (resid 593 and name HA) 3.0 1.2 1.7 ! A.2140 at -9.89e+06 assign (resid 593 and name HD1) (resid 593 and name HN) 4.0 2.2 1.0 ! A.2141 at -3.56e+06 assign (resid 593 and name HG1) (resid 593 and name HN) 4.0 2.2 2.0 ! A.2146 at -1.46e+06 assign (resid 593 and name HG2) (resid 593 and name HA) 3.0 1.2 0.5 ! A.2143 at -5.99e+06 assign (resid 593 and name HG2) (resid 593 and name HN) 4.0 2.2 1.0 ! A.2147 at -3.37e+06 assign (resid 593 and name HA) (resid 594 and name HD2) 2.5 0.7 0.2 ! A.2127 at -5.13e+07 assign (resid 593 and name HB1) (resid 594 and name HD1) 4.0 2.2 1.0 ! A.2137 at -4.18e+06 assign (resid 593 and name HB2) (resid 594 and name HD1) 4.0 2.2 1.0 ! A.2138 at -4.63e+06 assign (resid 593 and name HG2) (resid 594 and name HD2) 4.0 2.2 1.0 ! A.2148 at -4.34e+06 assign (resid 593 and name HN) (resid 594 and name HD1) 3.0 1.2 1.9 ! A.2156 at 8.54e+06 assign (resid 593 and name HN) (resid 594 and name HD2) 3.0 1.2 1.8 ! A.2157 at 1.68e+07 assign (resid 593 and name HA) (resid 594 and name HD1) 3.0 1.2 0.3 ! A.2190 at -1.47e+07 assign (resid 593 and name HB1) (resid 594 and name HD2) 3.0 1.2 0.3 ! A.2192 at -6.13e+06 assign (resid 593 and name HA) (resid 594 and name HG1) 4.0 2.2 1.0 ! A.2206 at -2.55e+06 assign (resid 593 and name HA) (resid 594 and name HG2) 3.0 1.2 1.6 ! A.2207 at -1.17e+07 ! P594 assign (resid 594 and name HA) (resid 594 and name HD1) 4.0 2.2 1.0 ! A.2165 at -3.30e+06 assign (resid 594 and name HA) (resid 594 and name HG1) 3.0 1.2 1.0 ! A.2166 at -8.79e+06 assign (resid 594 and name HA) (resid 594 and name HG2) 3.0 1.2 0.9 ! A.2167 at -7.06e+06 assign (resid 594 and name HB1) (resid 594 and name HD1) 4.0 2.2 1.0 ! A.2179 at -5.27e+06 assign (resid 594 and name HB1) (resid 594 and name HD2) 4.0 2.2 1.0 ! A.2180 at -5.27e+06 assign (resid 594 and name HB2) (resid 594 and name HD2) 4.0 2.2 1.0 ! A.2181 at -2.42e+06 assign (resid 594 and name HD1) (resid 594 and name HB2) 3.0 1.2 0.9 ! A.2196 at -1.28e+07 assign (resid 594 and name HA) (resid 595 and name HA) 4.0 2.2 1.0 ! A.2168 at -1.98e+06 assign (resid 594 and name HA) (resid 595 and name HB1) 4.0 2.2 1.5 ! A.2169 at -2.30e+06 assign (resid 594 and name HA) (resid 595 and name HB2) 4.0 2.2 1.0 ! A.2170 at -2.80e+06 assign (resid 594 and name HA) (resid 595 and name HN) 2.5 0.7 0.4 ! A.2263 at 8.39e+07 assign (resid 594 and name HB1) (resid 595 and name HN) 3.0 1.2 0.5 ! A.2264 at 1.03e+07 assign (resid 594 and name HB2) (resid 595 and name HA) 3.0 1.2 1.0 ! A.2224 at -7.79e+06 assign (resid 594 and name HB2) (resid 595 and name HN) 3.0 1.2 0.5 ! A.2265 at 2.21e+07 assign (resid 594 and name HB1) (resid 595 and name HA) 4.0 2.2 1.5 ! A.2223 at -2.01e+06 assign (resid 594 and name HG2) (resid 595 and name HA) 4.0 2.2 1.0 ! A.2225 at -1.81e+06 assign (resid 594 and name HG1) (resid 595 and name HN) 4.0 2.2 1.2 ! A.2266 at 4.46e+06 assign (resid 594 and name HG2) (resid 595 and name HN) 4.0 2.2 1.0 ! A.2267 at 3.15e+06 assign (resid 594 and name HB2) (resid 596 and name HN) 4.0 2.2 1.2 ! A.2309 at 6.15e+06 ! Y595 assign (resid 595 and name HB1) (resid 595 and name HN) 4.0 2.2 1.0 ! A.2244 at -4.05e+06 assign (resid 595 and name HB2) (resid 595 and name HN) 3.0 1.2 0.5 ! A.2245 at -7.85e+06 assign (resid 595 and name HA) (resid 596 and name HA) 4.0 2.2 1.0 ! A.2229 at -2.51e+06 assign (resid 595 and name HA) (resid 596 and name HN) 2.5 0.7 0.4 ! A.2310 at 7.74e+07 assign (resid 595 and name HB1) (resid 596 and name HN) 3.0 1.2 0.5 ! A.2246 at -6.71e+06 assign (resid 595 and name HB2) (resid 596 and name HN) 4.0 2.2 1.0 ! A.2247 at -4.13e+06 assign (resid 595 and name HN) (resid 596 and name HA) 4.0 2.2 2.0 ! A.2271 at 1.58e+06 assign (resid 595 and name HN) (resid 596 and name HN) 4.0 2.2 1.0 ! A.2272 at 3.17e+06 assign (resid 595 and name HA) (resid 599 and name HB1) 4.0 2.2 1.0 ! A.2231 at -4.25e+06 assign (resid 595 and name HB1) (resid 599 and name HB1) 4.0 2.2 1.0 ! A.2248 at -3.45e+06 assign (resid 595 and name HB1) (resid 599 and name HN) 4.0 2.2 1.0 ! A.2249 at -1.88e+06 assign (resid 595 and name HA) (resid 599 and name HN) 4.0 2.2 1.5 ! A.2427 at 2.17e+06 assign (resid 595 and name HB1) (resid 600 and name HA) 4.0 2.2 1.0 ! A.2250 at -2.18e+06 assign (resid 595 and name HB1) (resid 600 and name HN) 4.0 2.2 1.0 ! A.2252 at -4.67e+06 assign (resid 595 and name HB2) (resid 600 and name HA) 4.0 2.2 1.0 ! A.2251 at -2.46e+06 assign (resid 595 and name HB2) (resid 600 and name HN) 4.0 2.2 1.0 ! A.2253 at -1.94e+06 assign (resid 595 and name HA) (resid 600 and name HN) 4.0 2.2 1.0 ! A.2467 at 3.12e+06 ! C596 assign (resid 596 and name HB1) (resid 596 and name HN) 4.0 2.2 1.0 ! A.2293 at -4.58e+06 assign (resid 596 and name HB2) (resid 596 and name HN) 3.0 1.2 0.5 ! A.2294 at -5.94e+06 assign (resid 596 and name HA) (resid 597 and name HB1) 3.0 1.2 1.3 ! A.2277 at -1.01e+07 assign (resid 596 and name HA) (resid 597 and name HN) 2.5 0.7 0.4 ! A.2347 at 6.15e+07 assign (resid 596 and name HB1) (resid 597 and name HB1) 4.0 2.2 1.0 ! A.2295 at -1.90e+06 assign (resid 596 and name HB1) (resid 597 and name HN) 3.0 1.2 0.5 ! A.2297 at -1.14e+07 assign (resid 596 and name HB2) (resid 597 and name HB1) 4.0 2.2 1.0 ! A.2296 at -2.14e+06 assign (resid 596 and name HB2) (resid 597 and name HN) 3.0 1.2 0.5 ! A.2298 at -7.78e+06 assign (resid 596 and name HA) (resid 597 and name HA) 4.0 2.2 1.0 ! A.2319 at -3.17e+06 assign (resid 596 and name HN) (resid 597 and name HN) 4.0 2.2 1.0 ! A.2350 at 4.59e+06 assign (resid 596 and name HB1) (resid 598 and name HN) 3.0 1.2 0.5 ! A.2384 at 1.91e+07 assign (resid 596 and name HB2) (resid 598 and name HN) 4.0 2.2 1.0 ! A.2300 at -3.21e+06 assign (resid 596 and name HN) (resid 598 and name HN) 4.0 2.2 1.2 ! A.2385 at 1.83e+06 assign (resid 596 and name HB1) (resid 599 and name HN) 3.0 1.2 0.8 ! A.2429 at 6.92e+06 assign (resid 596 and name HB2) (resid 599 and name HN) 4.0 2.2 2.0 ! A.2302 at -1.50e+06 assign (resid 596 and name HN) (resid 599 and name HB2) 3.0 1.2 0.5 ! A.2315 at 8.03e+06 assign (resid 596 and name HN) (resid 599 and name HB1) 4.0 2.2 1.0 ! A.2416 at -3.54e+06 assign (resid 596 and name HA) (resid 599 and name HN) 4.0 2.2 1.0 ! A.2428 at 2.14e+06 assign (resid 596 and name HN) (resid 599 and name HN) 4.0 2.2 1.0 ! A.2430 at 4.86e+06 assign (resid 596 and name HN) (resid 600 and name HN) 4.0 2.2 1.0 ! A.2468 at 4.63e+06 ! Q597 assign (resid 597 and name HA) (resid 597 and name HE22) 3.0 1.2 0.3 ! A.2321 at -5.72e+06 assign (resid 597 and name HA) (resid 597 and name HG1) 3.0 1.2 0.7 ! A.2322 at -2.59e+07 assign (resid 597 and name HB1) (resid 597 and name HN) 3.0 1.2 0.5 ! A.2336 at -2.89e+07 assign (resid 597 and name HG1) (resid 597 and name HN) 3.0 1.2 1.0 ! A.2341 at -1.27e+07 assign (resid 597 and name HE21) (resid 597 and name HB1) 4.0 2.2 2.0 ! A.2358 at 1.31e+06 assign (resid 597 and name HE21) (resid 597 and name HG1) 3.0 1.2 0.6 ! A.2360 at 1.57e+07 assign (resid 597 and name HE22) (resid 597 and name HB1) 4.0 2.2 2.0 ! A.2359 at 1.14e+06 assign (resid 597 and name HE22) (resid 597 and name HG1) 3.0 1.2 1.1 ! A.2361 at 1.06e+07 assign (resid 597 and name HA) (resid 598 and name HN) 3.0 1.2 0.5 ! A.2324 at -8.92e+06 assign (resid 597 and name HB1) (resid 598 and name HN) 2.5 0.7 0.4 ! A.2387 at 5.08e+07 assign (resid 597 and name HG1) (resid 598 and name HN) 3.0 1.2 0.5 ! A.2342 at -1.01e+07 assign (resid 597 and name HN) (resid 598 and name HN) 3.0 1.2 0.5 ! A.2354 at 1.89e+07 assign (resid 597 and name HB1) (resid 598 and name HA) 4.0 2.2 1.0 ! A.2364 at -3.86e+06 assign (resid 597 and name HG1) (resid 598 and name HA) 4.0 2.2 1.0 ! A.2365 at -4.82e+06 assign (resid 597 and name HB1) (resid 598 and name HB1) 4.0 2.2 1.3 ! A.2373 at -2.80e+06 assign (resid 597 and name HB1) (resid 599 and name HN) 4.0 2.2 1.0 ! A.2431 at 3.05e+06 assign (resid 597 and name HA) (resid 600 and name HB1) 3.0 1.2 0.3 ! A.2325 at -2.01e+07 assign (resid 597 and name HA) (resid 600 and name HB2) 3.0 1.2 0.7 ! A.2326 at -1.23e+07 assign (resid 597 and name HA) (resid 600 and name HN) 3.0 1.2 0.5 ! A.2469 at 3.17e+07 assign (resid 597 and name HA) (resid 601 and name HB1) 4.0 2.2 1.0 ! A.2327 at -4.02e+06 assign (resid 597 and name HA) (resid 601 and name HN) 4.0 2.2 1.0 ! A.2328 at -4.55e+06 assign (resid 597 and name HE21) (resid 601 and name HB1) 4.0 2.2 1.3 ! A.2362 at 4.58e+06 assign (resid 597 and name HE22) (resid 601 and name HB1) 4.0 2.2 1.0 ! A.2363 at 2.00e+06 assign (resid 597 and name HG1) (resid 601 and name HD2#) 3.0 1.2 0.8 ! A.2503 at -1.60e+07 assign (resid 597 and name HG1) (resid 601 and name HG) 4.0 2.2 2.4 ! A.2514 at -2.73e+06 assign (resid 597 and name HG1) (resid 601 and name HN) 4.0 2.2 1.0 ! A.2521 at 3.16e+06 ! N598 assign (resid 598 and name HA) (resid 598 and name HD21) 3.0 1.2 0.3 ! A.2367 at -6.21e+06 assign (resid 598 and name HB1) (resid 598 and name HD21) 4.0 2.2 1.0 ! A.2376 at -2.54e+06 assign (resid 598 and name HB1) (resid 598 and name HN) 3.0 1.2 0.5 ! A.2378 at -3.35e+07 assign (resid 598 and name HB2) (resid 598 and name HD21) 4.0 2.2 1.0 ! A.2377 at -4.12e+06 assign (resid 598 and name HB2) (resid 598 and name HN) 3.0 1.2 0.5 ! A.2379 at -3.56e+07 assign (resid 598 and name HD22) (resid 598 and name HB1) 4.0 2.2 1.0 ! A.2399 at 3.79e+06 assign (resid 598 and name HD22) (resid 598 and name HB2) 4.0 2.2 1.0 ! A.2401 at 3.23e+06 assign (resid 598 and name HN) (resid 598 and name HD22) 4.0 2.2 1.8 ! A.2393 at 2.99e+06 assign (resid 598 and name HA) (resid 599 and name HN) 3.0 1.2 0.5 ! A.2369 at -1.03e+07 assign (resid 598 and name HB1) (resid 599 and name HN) 3.0 1.2 0.5 ! A.2380 at -1.50e+07 assign (resid 598 and name HB2) (resid 599 and name HN) 3.0 1.2 0.9 ! A.2381 at -1.62e+07 assign (resid 598 and name HN) (resid 599 and name HN) 2.5 0.7 0.4 ! A.2394 at 5.48e+07 assign (resid 598 and name HA) (resid 600 and name HN) 4.0 2.2 1.0 ! A.2470 at 5.24e+06 assign (resid 598 and name HA) (resid 601 and name HB1) 3.0 1.2 0.3 ! A.2370 at -2.23e+07 assign (resid 598 and name HA) (resid 601 and name HB2) 3.0 1.2 0.3 ! A.2371 at -1.03e+07 assign (resid 598 and name HA) (resid 601 and name HD2#) 3.0 1.2 0.8 ! A.2372 at -2.79e+07 assign (resid 598 and name HB1) (resid 601 and name HD2#) 4.0 2.2 1.5 ! A.2382 at -3.73e+06 assign (resid 598 and name HB2) (resid 601 and name HD2#) 4.0 2.2 1.5 ! A.2383 at -5.68e+06 assign (resid 598 and name HN) (resid 601 and name HB1) 4.0 2.2 1.0 ! A.2395 at 3.53e+06 assign (resid 598 and name HN) (resid 601 and name HB2) 4.0 2.2 1.0 ! A.2396 at 3.56e+06 assign (resid 598 and name HN) (resid 601 and name HD2#) 3.0 1.2 1.9 ! A.2397 at 5.96e+06 assign (resid 598 and name HA) (resid 601 and name HD1#) 4.0 2.2 1.5 ! A.2494 at -4.65e+06 assign (resid 598 and name HA) (resid 601 and name HG) 4.0 2.2 1.0 ! A.2515 at -2.13e+06 assign (resid 598 and name HA) (resid 601 and name HN) 3.0 1.2 0.7 ! A.2522 at 1.60e+07 assign (resid 598 and name HA) (resid 602 and name HN) 3.0 1.2 1.3 ! A.2576 at 7.27e+06 ! C599 assign (resid 599 and name HB1) (resid 599 and name HN) 3.0 1.2 0.5 ! A.2422 at -9.94e+06 assign (resid 599 and name HB2) (resid 599 and name HN) 3.0 1.2 0.5 ! A.2423 at -9.66e+06 assign (resid 599 and name HA) (resid 600 and name HN) 4.0 2.2 1.0 ! A.2407 at -4.18e+06 assign (resid 599 and name HB1) (resid 600 and name HN) 4.0 2.2 1.0 ! A.2424 at -5.20e+06 assign (resid 599 and name HB2) (resid 600 and name HN) 3.0 1.2 0.5 ! A.2425 at -5.96e+06 assign (resid 599 and name HN) (resid 600 and name HN) 3.0 1.2 0.5 ! A.2437 at 2.78e+07 assign (resid 599 and name HN) (resid 600 and name HA) 4.0 2.2 2.0 ! A.2447 at -1.43e+06 assign (resid 599 and name HN) (resid 601 and name HB1) 4.0 2.2 1.0 ! A.2438 at 2.84e+06 assign (resid 599 and name HN) (resid 601 and name HN) 4.0 2.2 1.0 ! A.2439 at 4.62e+06 assign (resid 599 and name HN) (resid 601 and name HD2#) 4.0 2.2 1.5 ! A.2505 at -2.75e+06 assign (resid 599 and name HA) (resid 602 and name HB1) 3.0 1.2 0.3 ! A.2408 at -1.70e+07 assign (resid 599 and name HA) (resid 602 and name HB2) 3.0 1.2 0.3 ! A.2409 at -2.03e+07 assign (resid 599 and name HA) (resid 602 and name HG2) 3.0 1.2 1.0 ! A.2410 at -6.71e+06 assign (resid 599 and name HA) (resid 602 and name HN) 3.0 1.2 0.5 ! A.2411 at -1.36e+07 assign (resid 599 and name HB1) (resid 602 and name HB2) 4.0 2.2 1.0 ! A.2426 at -2.14e+06 assign (resid 599 and name HN) (resid 602 and name HB1) 4.0 2.2 1.6 ! A.2440 at 3.55e+06 assign (resid 599 and name HN) (resid 602 and name HB2) 4.0 2.2 1.0 ! A.2441 at 3.96e+06 assign (resid 599 and name HN) (resid 602 and name HN) 4.0 2.2 1.0 ! A.2442 at 5.08e+06 assign (resid 599 and name HA) (resid 603 and name HG) 3.0 1.2 0.6 ! A.2412 at -5.81e+06 assign (resid 599 and name HN) (resid 603 and name HD2#) 4.0 2.2 1.7 ! A.2443 at 4.36e+06 assign (resid 599 and name HN) (resid 603 and name HG) 4.0 2.2 1.4 ! A.2444 at 3.24e+06 assign (resid 599 and name HA) (resid 603 and name HD2#) 3.0 1.2 0.8 ! A.2621 at -6.94e+06 assign (resid 599 and name HB1) (resid 603 and name HD2#) 4.0 2.2 1.5 ! A.2622 at -3.24e+06 assign (resid 599 and name HB2) (resid 603 and name HD2#) 3.0 1.2 1.8 ! A.2623 at -9.66e+06 ! F600 assign (resid 600 and name HB1) (resid 600 and name HN) 3.0 1.2 0.5 ! A.2460 at -7.30e+06 assign (resid 600 and name HB2) (resid 600 and name HN) 3.0 1.2 0.5 ! A.2461 at -9.72e+06 assign (resid 600 and name HA) (resid 601 and name HB1) 4.0 2.2 1.7 ! A.2451 at -2.09e+06 assign (resid 600 and name HB1) (resid 601 and name HB1) 4.0 2.2 1.0 ! A.2462 at -3.15e+06 assign (resid 600 and name HB1) (resid 601 and name HN) 3.0 1.2 0.5 ! A.2463 at -8.12e+06 assign (resid 600 and name HB2) (resid 601 and name HN) 3.0 1.2 0.8 ! A.2464 at -6.77e+06 assign (resid 600 and name HN) (resid 601 and name HB1) 3.0 1.2 1.8 ! A.2475 at 1.10e+07 assign (resid 600 and name HN) (resid 601 and name HN) 3.0 1.2 0.5 ! A.2476 at 2.96e+07 assign (resid 600 and name HA) (resid 601 and name HN) 3.0 1.2 0.5 ! A.2524 at 1.86e+07 assign (resid 600 and name HN) (resid 602 and name HN) 3.0 1.2 0.9 ! A.2578 at 6.42e+06 assign (resid 600 and name HA) (resid 603 and name HB1) 3.0 1.2 1.3 ! A.2452 at -6.30e+06 assign (resid 600 and name HA) (resid 603 and name HB2) 4.0 2.2 1.0 ! A.2453 at -4.47e+06 assign (resid 600 and name HA) (resid 603 and name HD1#) 3.0 1.2 0.8 ! A.2454 at -6.73e+06 assign (resid 600 and name HA) (resid 603 and name HN) 3.0 1.2 0.5 ! A.2455 at -9.05e+06 assign (resid 600 and name HN) (resid 603 and name HD1#) 4.0 2.2 1.5 ! A.2477 at 4.23e+06 assign (resid 600 and name HN) (resid 603 and name HD2#) 4.0 2.2 1.5 ! A.2624 at -1.82e+06 assign (resid 600 and name HN) (resid 603 and name HN) 4.0 2.2 2.0 ! A.2634 at 1.62e+06 assign (resid 600 and name HA) (resid 604 and name HA) 4.0 2.2 1.2 ! A.2456 at -2.49e+06 assign (resid 600 and name HA) (resid 604 and name HB2) 4.0 2.2 1.0 ! A.2457 at -3.68e+06 assign (resid 600 and name HA) (resid 604 and name HN) 3.0 1.2 0.5 ! A.2652 at 1.47e+07 ! L601 assign (resid 601 and name HA) (resid 601 and name HG) 3.0 1.2 0.3 ! A.2480 at -3.68e+07 assign (resid 601 and name HB1) (resid 601 and name HN) 3.0 1.2 0.5 ! A.2490 at -2.96e+07 assign (resid 601 and name HB2) (resid 601 and name HN) 3.0 1.2 0.5 ! A.2491 at -1.89e+07 assign (resid 601 and name HD1#) (resid 601 and name HA) 2.5 0.7 0.7 ! A.2495 at -5.50e+07 assign (resid 601 and name HD1#) (resid 601 and name HB1) 2.5 0.7 0.7 ! A.2496 at -8.66e+07 assign (resid 601 and name HD1#) (resid 601 and name HB2) 3.0 1.2 0.8 ! A.2497 at -2.31e+07 assign (resid 601 and name HD1#) (resid 601 and name HN) 3.0 1.2 1.0 ! A.2499 at -1.25e+07 assign (resid 601 and name HD2#) (resid 601 and name HA) 3.0 1.2 0.8 ! A.2506 at -1.35e+07 assign (resid 601 and name HD2#) (resid 601 and name HB1) 2.5 0.7 0.7 ! A.2507 at -9.59e+07 assign (resid 601 and name HD2#) (resid 601 and name HB2) 3.0 1.2 0.8 ! A.2508 at -2.53e+07 assign (resid 601 and name HD2#) (resid 601 and name HN) 3.0 1.2 1.2 ! A.2510 at -1.33e+07 assign (resid 601 and name HG) (resid 601 and name HN) 3.0 1.2 1.4 ! A.2518 at -2.11e+07 assign (resid 601 and name HA) (resid 602 and name HN) 3.0 1.2 0.5 ! A.2482 at -1.01e+07 assign (resid 601 and name HB1) (resid 602 and name HN) 3.0 1.2 0.5 ! A.2492 at -1.46e+07 assign (resid 601 and name HB2) (resid 602 and name HN) 3.0 1.2 1.0 ! A.2493 at -5.88e+06 assign (resid 601 and name HD1#) (resid 602 and name HN) 4.0 2.2 1.5 ! A.2500 at -3.56e+06 assign (resid 601 and name HD2#) (resid 602 and name HN) 3.0 1.2 1.3 ! A.2511 at -6.58e+06 assign (resid 601 and name HG) (resid 602 and name HN) 4.0 2.2 1.0 ! A.2519 at -4.80e+06 assign (resid 601 and name HN) (resid 602 and name HN) 2.5 0.7 0.4 ! A.2580 at 8.96e+07 assign (resid 601 and name HA) (resid 604 and name HN) 4.0 2.2 1.0 ! A.2653 at 5.21e+06 assign (resid 601 and name HA) (resid 605 and name HB1) 3.0 1.2 0.3 ! A.2483 at -2.95e+07 assign (resid 601 and name HD1#) (resid 605 and name HB1) 3.0 1.2 0.8 ! A.2501 at -1.14e+07 assign (resid 601 and name HD1#) (resid 605 and name HB2) 3.0 1.2 0.8 ! A.2502 at -7.69e+06 assign (resid 601 and name HD2#) (resid 605 and name HB1) 4.0 2.2 1.5 ! A.2512 at -4.81e+06 assign (resid 601 and name HD2#) (resid 605 and name HB2) 4.0 2.2 1.8 ! A.2513 at -3.93e+06 assign (resid 601 and name HA) (resid 605 and name HB2) 3.0 1.2 0.3 ! A.2671 at -8.31e+06 assign (resid 601 and name HA) (resid 605 and name HN) 3.0 1.2 0.5 ! A.2676 at 1.30e+07 assign (resid 601 and name HB2) (resid 605 and name HN) 4.0 2.2 1.8 ! A.2677 at 5.55e+06 assign (resid 601 and name HG) (resid 605 and name HN) 4.0 2.2 1.0 ! A.2678 at 3.16e+06 ! K602 assign (resid 602 and name HA) (resid 602 and name HE1) 4.0 2.2 1.0 ! A.2534 at -2.46e+06 assign (resid 602 and name HA) (resid 602 and name HG2) 3.0 1.2 0.6 ! A.2535 at -1.90e+07 assign (resid 602 and name HB1) (resid 602 and name HE1) 4.0 2.2 1.0 ! A.2541 at -1.81e+06 assign (resid 602 and name HB1) (resid 602 and name HN) 3.0 1.2 0.5 ! A.2544 at -3.08e+07 assign (resid 602 and name HB2) (resid 602 and name HE1) 4.0 2.2 2.0 ! A.2542 at -1.78e+06 assign (resid 602 and name HB2) (resid 602 and name HN) 3.0 1.2 0.5 ! A.2545 at -2.56e+07 assign (resid 602 and name HD1) (resid 602 and name HA) 3.0 1.2 0.3 ! A.2552 at -1.08e+07 assign (resid 602 and name HD1) (resid 602 and name HN) 3.0 1.2 0.8 ! A.2555 at -5.80e+06 assign (resid 602 and name HE1) (resid 602 and name HG2) 3.0 1.2 0.3 ! A.2559 at -1.04e+07 assign (resid 602 and name HE1) (resid 602 and name HN) 4.0 2.2 1.0 ! A.2560 at -2.41e+06 assign (resid 602 and name HE2) (resid 602 and name HN) 4.0 2.2 1.0 ! A.2561 at -3.63e+06 assign (resid 602 and name HG1) (resid 602 and name HA) 3.0 1.2 0.3 ! A.2564 at -1.25e+07 assign (resid 602 and name HG1) (resid 602 and name HE1) 4.0 2.2 1.0 ! A.2568 at -5.37e+06 assign (resid 602 and name HG1) (resid 602 and name HN) 3.0 1.2 1.4 ! A.2570 at -9.29e+06 assign (resid 602 and name HG2) (resid 602 and name HE2) 3.0 1.2 0.3 ! A.2569 at -6.22e+06 assign (resid 602 and name HG2) (resid 602 and name HN) 3.0 1.2 1.7 ! A.2571 at -8.61e+06 assign (resid 602 and name HA) (resid 603 and name HD2#) 4.0 2.2 1.5 ! A.2537 at -2.69e+06 assign (resid 602 and name HA) (resid 603 and name HN) 3.0 1.2 0.5 ! A.2538 at -1.34e+07 assign (resid 602 and name HB1) (resid 603 and name HD2#) 4.0 2.2 1.5 ! A.2546 at -5.66e+06 assign (resid 602 and name HB1) (resid 603 and name HG) 3.0 1.2 0.3 ! A.2548 at -6.25e+06 assign (resid 602 and name HB1) (resid 603 and name HN) 3.0 1.2 0.5 ! A.2550 at -8.02e+06 assign (resid 602 and name HB2) (resid 603 and name HD2#) 4.0 2.2 1.5 ! A.2547 at -5.55e+06 assign (resid 602 and name HB2) (resid 603 and name HG) 3.0 1.2 1.1 ! A.2549 at -7.07e+06 assign (resid 602 and name HB2) (resid 603 and name HN) 3.0 1.2 0.5 ! A.2551 at -1.13e+07 assign (resid 602 and name HD1) (resid 603 and name HD2#) 4.0 2.2 1.5 ! A.2556 at -5.07e+06 assign (resid 602 and name HE1) (resid 603 and name HD2#) 4.0 2.2 1.5 ! A.2562 at -4.87e+06 assign (resid 602 and name HE2) (resid 603 and name HD2#) 4.0 2.2 1.5 ! A.2563 at -4.46e+06 assign (resid 602 and name HG1) (resid 603 and name HD2#) 3.0 1.2 0.8 ! A.2572 at -6.55e+06 assign (resid 602 and name HG1) (resid 603 and name HN) 4.0 2.2 1.0 ! A.2574 at -2.75e+06 assign (resid 602 and name HG2) (resid 603 and name HD2#) 3.0 1.2 0.8 ! A.2573 at -7.13e+06 assign (resid 602 and name HG2) (resid 603 and name HN) 4.0 2.2 1.0 ! A.2575 at -3.00e+06 assign (resid 602 and name HN) (resid 603 and name HB1) 4.0 2.2 2.0 ! A.2586 at 4.96e+06 assign (resid 602 and name HN) (resid 603 and name HB2) 4.0 2.2 1.0 ! A.2587 at 3.75e+06 assign (resid 602 and name HN) (resid 603 and name HD1#) 4.0 2.2 1.1 ! A.2588 at 7.84e+06 assign (resid 602 and name HN) (resid 603 and name HD2#) 3.0 1.2 1.2 ! A.2589 at 7.84e+06 assign (resid 602 and name HN) (resid 603 and name HG) 3.0 1.2 0.7 ! A.2590 at 2.70e+07 assign (resid 602 and name HN) (resid 603 and name HN) 2.5 0.7 0.4 ! A.2591 at 8.96e+07 assign (resid 602 and name HB1) (resid 603 and name HA) 4.0 2.2 1.0 ! A.2592 at -2.00e+06 assign (resid 602 and name HB2) (resid 603 and name HA) 4.0 2.2 1.4 ! A.2593 at -3.25e+06 assign (resid 602 and name HG1) (resid 603 and name HA) 4.0 2.2 1.0 ! A.2594 at -2.17e+06 assign (resid 602 and name HA) (resid 605 and name HN) 4.0 2.2 1.0 ! A.2679 at 5.68e+06 ! L603 assign (resid 603 and name HA) (resid 603 and name HG) 3.0 1.2 0.5 ! A.2597 at -2.36e+07 assign (resid 603 and name HB1) (resid 603 and name HN) 3.0 1.2 0.5 ! A.2609 at -1.18e+07 assign (resid 603 and name HB2) (resid 603 and name HN) 3.0 1.2 0.5 ! A.2610 at -1.06e+07 assign (resid 603 and name HD1#) (resid 603 and name HA) 3.0 1.2 0.8 ! A.2614 at -3.95e+07 assign (resid 603 and name HD1#) (resid 603 and name HB2) 3.0 1.2 0.8 ! A.2615 at -2.76e+07 assign (resid 603 and name HD1#) (resid 603 and name HN) 3.0 1.2 1.0 ! A.2617 at -1.19e+07 assign (resid 603 and name HD2#) (resid 603 and name HA) 4.0 2.2 1.5 ! A.2625 at -4.84e+06 assign (resid 603 and name HD2#) (resid 603 and name HB2) 3.0 1.2 0.8 ! A.2626 at -2.03e+07 assign (resid 603 and name HD2#) (resid 603 and name HN) 3.0 1.2 1.0 ! A.2628 at -5.97e+06 assign (resid 603 and name HG) (resid 603 and name HN) 3.0 1.2 0.5 ! A.2632 at -1.40e+07 assign (resid 603 and name HA) (resid 604 and name HN) 3.0 1.2 0.5 ! A.2599 at -8.15e+06 assign (resid 603 and name HB1) (resid 604 and name HN) 3.0 1.2 0.8 ! A.2655 at 3.27e+07 assign (resid 603 and name HB2) (resid 604 and name HN) 3.0 1.2 0.5 ! A.2656 at 9.30e+06 assign (resid 603 and name HG) (resid 604 and name HN) 3.0 1.2 0.5 ! A.2659 at 1.11e+07 assign (resid 603 and name HN) (resid 604 and name HA) 4.0 2.2 1.3 ! A.2641 at 2.81e+06 assign (resid 603 and name HN) (resid 604 and name HB2) 4.0 2.2 2.0 ! A.2644 at -1.74e+06 assign (resid 603 and name HD1#) (resid 604 and name HN) 3.0 1.2 1.2 ! A.2657 at 1.46e+07 assign (resid 603 and name HD2#) (resid 604 and name HN) 3.0 1.2 1.3 ! A.2658 at 1.46e+07 assign (resid 603 and name HN) (resid 604 and name HN) 2.5 0.7 0.4 ! A.2660 at 6.77e+07 assign (resid 603 and name HA) (resid 605 and name HN) 3.0 1.2 1.1 ! A.2680 at 5.73e+06 assign (resid 603 and name HN) (resid 605 and name HN) 3.0 1.2 0.5 ! A.2642 at 7.64e+06 assign (resid 603 and name HB1) (resid 605 and name HN) 4.0 2.2 1.5 ! A.2681 at 6.82e+06 assign (resid 603 and name HB2) (resid 605 and name HN) 4.0 2.2 1.0 ! A.2682 at 2.37e+06 assign (resid 603 and name HG) (resid 605 and name HN) 4.0 2.2 1.1 ! A.2683 at 1.17e+07 ! F604 assign (resid 604 and name HB1) (resid 604 and name HN) 3.0 1.2 0.5 ! A.2649 at -7.34e+06 assign (resid 604 and name HB2) (resid 604 and name HN) 3.0 1.2 0.5 ! A.2650 at -8.12e+06 assign (resid 604 and name HB2) (resid 605 and name HN) 3.0 1.2 0.9 ! A.2686 at 1.72e+07 assign (resid 604 and name HN) (resid 605 and name HA) 4.0 2.2 1.2 ! A.2664 at 4.16e+06 assign (resid 604 and name HN) (resid 605 and name HB1) 4.0 2.2 1.3 ! A.2665 at 4.20e+06 assign (resid 604 and name HN) (resid 605 and name HN) 2.5 0.7 0.4 ! A.2666 at 8.49e+07 assign (resid 604 and name HA) (resid 605 and name HN) 3.0 1.2 0.5 ! A.2685 at 2.61e+07 ! C605 assign (resid 605 and name HB1) (resid 605 and name HN) 3.0 1.2 0.5 ! A.2674 at -1.01e+07 assign (resid 605 and name HB2) (resid 605 and name HN) 3.0 1.2 0.5 ! A.2675 at -1.20e+07 !@ END_XPLR_NOE_FILE # Restraints file 2: D_1000242640_mr_P2.xplor-nih.V2 !@ BEGIN_XPLR_NOE_FILE ! G534 ! A535 assign (resid 535 and name HA) (resid 536 and name HN) 3.0 1.2 0.5 ! A.10 at 1.57e+07 assign (resid 535 and name HB#) (resid 536 and name HN) 4.0 2.2 1.5 ! A.11 at 2.94e+06 ! M536 assign (resid 536 and name HA) (resid 536 and name HG2) 3.0 1.2 0.3 ! A.2 at -1.27e+07 assign (resid 536 and name HG1) (resid 536 and name HA) 4.0 2.2 1.0 ! A.6 at -2.45e+06 assign (resid 536 and name HN) (resid 536 and name HB2) 3.0 1.2 0.5 ! A.13 at 7.38e+06 assign (resid 536 and name HN) (resid 536 and name HG1) 4.0 2.2 1.0 ! A.14 at 2.18e+06 assign (resid 536 and name HN) (resid 536 and name HG2) 4.0 2.2 1.0 ! A.15 at 2.18e+06 assign (resid 536 and name HA) (resid 537 and name HN) 2.5 0.7 0.9 ! A.31 at 7.43e+07 assign (resid 536 and name HN) (resid 537 and name HA) 3.0 1.2 1.3 ! A.16 at 1.02e+08 assign (resid 536 and name HB1) (resid 537 and name HN) 3.0 1.2 0.5 ! A.32 at 9.86e+06 assign (resid 536 and name HB2) (resid 537 and name HN) 3.0 1.2 0.5 ! A.33 at 6.50e+06 assign (resid 536 and name HN) (resid 538 and name HD1) 4.0 2.2 1.7 ! A.17 at 2.30e+06 assign (resid 536 and name HN) (resid 540 and name HA) 4.0 2.2 1.0 ! A.18 at 4.68e+06 ! D537 assign (resid 537 and name HB1) (resid 537 and name HN) 3.0 1.2 0.5 ! A.23 at -8.25e+06 assign (resid 537 and name HB2) (resid 537 and name HN) 3.0 1.2 0.5 ! A.24 at -1.01e+07 assign (resid 537 and name HB1) (resid 538 and name HD1) 3.0 1.2 0.3 ! A.52 at -6.73e+06 assign (resid 537 and name HB1) (resid 538 and name HD2) 3.0 1.2 0.3 ! A.53 at -1.66e+07 assign (resid 537 and name HB2) (resid 538 and name HD1) 4.0 2.2 1.0 ! A.54 at -4.50e+06 assign (resid 537 and name HB2) (resid 538 and name HD2) 3.0 1.2 0.3 ! A.55 at -5.93e+06 assign (resid 537 and name HN) (resid 538 and name HD1) 4.0 2.2 1.0 ! A.37 at 3.40e+06 assign (resid 537 and name HN) (resid 538 and name HD2) 4.0 2.2 1.0 ! A.38 at 3.45e+06 assign (resid 537 and name HA) (resid 538 and name HD1) 2.5 0.7 0.2 ! A.50 at -5.53e+07 assign (resid 537 and name HA) (resid 538 and name HD2) 2.5 0.7 0.2 ! A.51 at -6.63e+07 assign (resid 537 and name HB1) (resid 539 and name HN) 4.0 2.2 1.0 ! A.84 at 5.39e+06 assign (resid 537 and name HB2) (resid 539 and name HN) 4.0 2.2 1.0 ! A.30 at -2.09e+06 assign (resid 537 and name HA) (resid 539 and name HN) 2.5 0.7 1.1 ! A.83 at 5.81e+07 assign (resid 537 and name HN) (resid 540 and name HB2) 4.0 2.2 1.0 ! A.39 at 1.91e+06 assign (resid 537 and name HB1) (resid 540 and name HN) 4.0 2.2 1.0 ! A.105 at 2.83e+06 ! P538 assign (resid 538 and name HA) (resid 538 and name HG1) 3.0 1.2 0.8 ! A.41 at -2.36e+07 assign (resid 538 and name HA) (resid 538 and name HG2) 3.0 1.2 1.0 ! A.42 at -2.74e+07 assign (resid 538 and name HB1) (resid 538 and name HD1) 3.0 1.2 0.3 ! A.47 at -8.36e+06 assign (resid 538 and name HA) (resid 539 and name HN) 2.5 0.7 0.9 ! A.43 at -5.79e+07 assign (resid 538 and name HB1) (resid 539 and name HN) 4.0 2.2 1.0 ! A.49 at -3.53e+06 assign (resid 538 and name HD2) (resid 539 and name HN) 3.0 1.2 0.5 ! A.88 at 1.15e+07 assign (resid 538 and name HD1) (resid 539 and name HN) 4.0 2.2 2.0 ! A.87 at 1.32e+06 assign (resid 538 and name HA) (resid 540 and name HB2) 4.0 2.2 1.0 ! A.44 at -4.39e+06 assign (resid 538 and name HA) (resid 540 and name HN) 4.0 2.2 1.0 ! A.45 at -4.88e+06 ! E539 assign (resid 539 and name HB2) (resid 539 and name HN) 3.0 1.2 0.5 ! A.75 at -2.49e+07 assign (resid 539 and name HG1) (resid 539 and name HA) 3.0 1.2 0.8 ! A.77 at -1.05e+07 assign (resid 539 and name HG1) (resid 539 and name HN) 3.0 1.2 0.5 ! A.81 at -6.43e+06 assign (resid 539 and name HG2) (resid 539 and name HA) 3.0 1.2 0.3 ! A.78 at -1.24e+07 assign (resid 539 and name HG2) (resid 539 and name HN) 4.0 2.2 1.0 ! A.82 at -4.56e+06 assign (resid 539 and name HN) (resid 539 and name HB1) 3.0 1.2 0.5 ! A.90 at 1.43e+07 assign (resid 539 and name HA) (resid 540 and name HB1) 3.0 1.2 1.3 ! A.69 at -8.63e+06 assign (resid 539 and name HA) (resid 540 and name HB2) 3.0 1.2 1.7 ! A.70 at -8.63e+06 assign (resid 539 and name HA) (resid 540 and name HN) 2.5 0.7 1.0 ! A.71 at -5.07e+07 assign (resid 539 and name HB2) (resid 540 and name HN) 2.5 0.7 0.4 ! A.109 at 4.31e+07 assign (resid 539 and name HN) (resid 540 and name HB1) 4.0 2.2 1.0 ! A.94 at 2.36e+06 assign (resid 539 and name HN) (resid 540 and name HB2) 4.0 2.2 1.0 ! A.95 at 2.36e+06 assign (resid 539 and name HN) (resid 540 and name HN) 3.0 1.2 0.5 ! A.96 at 3.25e+07 assign (resid 539 and name HB1) (resid 540 and name HA) 4.0 2.2 1.0 ! A.97 at -4.08e+06 assign (resid 539 and name HB2) (resid 540 and name HA) 4.0 2.2 1.0 ! A.98 at -4.07e+06 assign (resid 539 and name HB1) (resid 540 and name HN) 3.0 1.2 0.5 ! A.108 at 6.47e+06 assign (resid 539 and name HG1) (resid 540 and name HN) 4.0 2.2 1.0 ! A.110 at 3.39e+06 assign (resid 539 and name HG2) (resid 540 and name HN) 3.0 1.2 0.5 ! A.111 at 6.47e+06 assign (resid 539 and name HA) (resid 541 and name HN) 4.0 2.2 1.0 ! A.120 at 2.75e+06 assign (resid 539 and name HB2) (resid 541 and name HN) 4.0 2.2 1.0 ! A.121 at 2.62e+06 ! F540 assign (resid 540 and name HB1) (resid 540 and name HN) 3.0 1.2 0.5 ! A.103 at -2.29e+07 assign (resid 540 and name HB2) (resid 540 and name HN) 3.0 1.2 0.5 ! A.104 at -2.12e+07 assign (resid 540 and name HA) (resid 541 and name HN) 2.5 0.7 1.0 ! A.122 at 5.47e+07 ! Y541 assign (resid 541 and name HB1) (resid 541 and name HN) 3.0 1.2 0.5 ! A.118 at -9.72e+06 assign (resid 541 and name HB2) (resid 541 and name HN) 3.0 1.2 0.5 ! A.119 at -6.53e+06 assign (resid 541 and name HA) (resid 542 and name HN) 3.0 1.2 0.5 ! A.132 at 1.10e+07 assign (resid 541 and name HB1) (resid 542 and name HN) 4.0 2.2 1.0 ! A.133 at 2.75e+06 ! H542 assign (resid 542 and name HB2) (resid 542 and name HN) 4.0 2.2 1.0 ! A.130 at -1.83e+06 assign (resid 542 and name HN) (resid 542 and name HB1) 3.0 1.2 0.5 ! A.135 at 6.77e+06 assign (resid 542 and name HA) (resid 543 and name HN) 2.5 0.7 0.9 ! A.147 at 4.32e+07 assign (resid 542 and name HB1) (resid 543 and name HN) 3.0 1.2 0.5 ! A.148 at 7.90e+06 assign (resid 542 and name HB2) (resid 543 and name HN) 3.0 1.2 0.5 ! A.149 at 8.36e+06 ! E543 assign (resid 543 and name HA) (resid 543 and name HG1) 3.0 1.2 0.3 ! A.138 at -2.55e+07 assign (resid 543 and name HB1) (resid 543 and name HN) 4.0 2.2 1.0 ! A.143 at -5.65e+06 assign (resid 543 and name HG1) (resid 543 and name HN) 3.0 1.2 0.5 ! A.146 at -1.52e+07 assign (resid 543 and name HA) (resid 544 and name HN) 3.0 1.2 0.5 ! A.140 at -1.41e+07 assign (resid 543 and name HG1) (resid 544 and name HN) 4.0 2.2 1.0 ! A.167 at 2.18e+06 ! R544 assign (resid 544 and name HA) (resid 544 and name HD1) 3.0 1.2 0.3 ! A.154 at -2.35e+07 assign (resid 544 and name HA) (resid 544 and name HG1) 2.5 0.7 0.9 ! A.155 at -7.70e+07 assign (resid 544 and name HB1) (resid 544 and name HD1) 3.0 1.2 0.3 ! A.159 at -9.70e+06 assign (resid 544 and name HN) (resid 544 and name HB1) 4.0 2.2 1.0 ! A.169 at 4.71e+06 assign (resid 544 and name HN) (resid 544 and name HB2) 3.0 1.2 0.5 ! A.170 at 9.22e+06 assign (resid 544 and name HN) (resid 544 and name HG1) 4.0 2.2 1.0 ! A.171 at 5.19e+06 ! R545 assign (resid 545 and name HA) (resid 545 and name HD1) 3.0 1.2 0.7 ! A.174 at -2.35e+07 assign (resid 545 and name HA) (resid 545 and name HG1) 2.5 0.7 0.9 ! A.175 at -6.66e+07 assign (resid 545 and name HB1) (resid 545 and name HD1) 3.0 1.2 0.3 ! A.180 at -9.70e+06 assign (resid 545 and name HB1) (resid 545 and name HN) 4.0 2.2 1.0 ! A.184 at -2.71e+06 assign (resid 545 and name HB2) (resid 545 and name HD1) 3.0 1.2 0.3 ! A.181 at -3.24e+07 assign (resid 545 and name HB2) (resid 545 and name HN) 4.0 2.2 1.0 ! A.185 at -3.92e+06 assign (resid 545 and name HN) (resid 545 and name HD1) 4.0 2.2 1.0 ! A.193 at 2.98e+06 assign (resid 545 and name HN) (resid 545 and name HG1) 3.0 1.2 0.5 ! A.194 at 1.45e+07 assign (resid 545 and name HA) (resid 546 and name HN) 3.0 1.2 0.5 ! A.177 at -1.15e+07 assign (resid 545 and name HN) (resid 546 and name HA1) 4.0 2.2 1.0 ! A.195 at 2.47e+06 assign (resid 545 and name HB1) (resid 546 and name HA1) 4.0 2.2 1.0 ! A.196 at -3.10e+06 assign (resid 545 and name HB2) (resid 546 and name HA1) 3.0 1.2 1.3 ! A.197 at -7.63e+06 assign (resid 545 and name HG1) (resid 546 and name HA1) 4.0 2.2 2.2 ! A.198 at -4.06e+06 assign (resid 545 and name HB1) (resid 546 and name HN) 4.0 2.2 1.0 ! A.205 at 2.40e+06 assign (resid 545 and name HB2) (resid 546 and name HN) 4.0 2.2 1.0 ! A.206 at 2.02e+06 assign (resid 545 and name HG1) (resid 546 and name HN) 4.0 2.2 1.0 ! A.207 at 2.48e+06 ! G546 assign (resid 546 and name HA1) (resid 547 and name HN) 3.0 1.2 0.5 ! A.200 at -1.19e+07 assign (resid 546 and name HN) (resid 547 and name HB2) 4.0 2.2 2.0 ! A.209 at 9.20e+05 assign (resid 546 and name HA1) (resid 548 and name HD1#) 4.0 2.2 1.5 ! A.201 at -2.14e+06 assign (resid 546 and name HA1) (resid 555 and name HB1) 3.0 1.2 0.3 ! A.202 at -7.17e+06 assign (resid 546 and name HN) (resid 555 and name HB1) 4.0 2.2 1.0 ! A.210 at 2.53e+06 assign (resid 546 and name HA1) (resid 556 and name HB) 4.0 2.2 1.4 ! A.203 at -2.09e+06 assign (resid 546 and name HA1) (resid 556 and name HN) 4.0 2.2 1.0 ! A.675 at 3.50e+06 ! S547 assign (resid 547 and name HB1) (resid 547 and name HN) 3.0 1.2 0.9 ! A.220 at -1.54e+07 assign (resid 547 and name HB2) (resid 547 and name HN) 3.0 1.2 0.5 ! A.221 at -1.22e+07 assign (resid 547 and name HA) (resid 548 and name HB2) 4.0 2.2 1.0 ! A.214 at -5.23e+06 assign (resid 547 and name HA) (resid 548 and name HD1#) 4.0 2.2 1.5 ! A.215 at -5.42e+06 assign (resid 547 and name HA) (resid 548 and name HD2#) 4.0 2.2 1.5 ! A.216 at -2.05e+06 assign (resid 547 and name HN) (resid 548 and name HD1#) 4.0 2.2 2.5 ! A.238 at 1.11e+06 assign (resid 547 and name HA) (resid 548 and name HN) 2.5 0.7 0.4 ! A.287 at 1.20e+08 assign (resid 547 and name HB1) (resid 548 and name HN) 3.0 1.2 0.5 ! A.288 at 1.99e+07 assign (resid 547 and name HB2) (resid 548 and name HN) 3.0 1.2 1.6 ! A.289 at 1.85e+07 assign (resid 547 and name HB1) (resid 555 and name HB1) 4.0 2.2 2.1 ! A.222 at -2.90e+06 assign (resid 547 and name HB2) (resid 555 and name HB1) 4.0 2.2 1.4 ! A.223 at -2.91e+06 assign (resid 547 and name HN) (resid 555 and name HB1) 4.0 2.2 1.0 ! A.239 at 3.84e+06 assign (resid 547 and name HN) (resid 555 and name HG1) 4.0 2.2 2.0 ! A.240 at 1.32e+06 assign (resid 547 and name HB1) (resid 556 and name HB) 3.0 1.2 0.3 ! A.224 at -1.82e+07 assign (resid 547 and name HB1) (resid 556 and name HD1#) 3.0 1.2 0.8 ! A.226 at -7.84e+06 assign (resid 547 and name HB1) (resid 556 and name HG2#) 4.0 2.2 1.5 ! A.228 at -2.74e+06 assign (resid 547 and name HB2) (resid 556 and name HB) 3.0 1.2 0.3 ! A.225 at -1.45e+07 assign (resid 547 and name HB2) (resid 556 and name HD1#) 3.0 1.2 0.8 ! A.227 at -6.77e+06 assign (resid 547 and name HB2) (resid 556 and name HG2#) 4.0 2.2 1.5 ! A.229 at -2.67e+06 assign (resid 547 and name HN) (resid 556 and name HB) 4.0 2.2 1.0 ! A.241 at 2.89e+06 assign (resid 547 and name HB1) (resid 556 and name HN) 4.0 2.2 1.0 ! A.676 at 4.04e+06 assign (resid 547 and name HB2) (resid 556 and name HN) 4.0 2.2 1.0 ! A.677 at 3.88e+06 assign (resid 547 and name HA) (resid 567 and name HE1) 4.0 2.2 1.0 ! A.217 at -4.47e+06 assign (resid 547 and name HB1) (resid 567 and name HE1) 4.0 2.2 1.0 ! A.230 at -3.57e+06 assign (resid 547 and name HB1) (resid 567 and name HG1) 4.0 2.2 1.0 ! A.232 at -4.51e+06 assign (resid 547 and name HB2) (resid 567 and name HE1) 4.0 2.2 1.0 ! A.231 at -2.07e+06 assign (resid 547 and name HB2) (resid 567 and name HG1) 4.0 2.2 1.0 ! A.233 at -2.27e+06 assign (resid 547 and name HB1) (resid 567 and name HD1) 4.0 2.2 1.0 ! A.1035 at -3.85e+06 ! L548 assign (resid 548 and name HA) (resid 548 and name HD1#) 3.0 1.2 0.8 ! A.243 at -2.96e+07 assign (resid 548 and name HA) (resid 548 and name HD2#) 3.0 1.2 0.8 ! A.244 at -7.21e+06 assign (resid 548 and name HA) (resid 548 and name HG) 3.0 1.2 0.3 ! A.245 at -1.84e+07 assign (resid 548 and name HB1) (resid 548 and name HD1#) 3.0 1.2 0.8 ! A.252 at -1.26e+07 assign (resid 548 and name HB1) (resid 548 and name HD2#) 3.0 1.2 0.8 ! A.254 at -2.25e+07 assign (resid 548 and name HB1) (resid 548 and name HN) 3.0 1.2 0.5 ! A.257 at -1.28e+07 assign (resid 548 and name HB2) (resid 548 and name HD1#) 3.0 1.2 0.8 ! A.253 at -1.66e+07 assign (resid 548 and name HB2) (resid 548 and name HD2#) 3.0 1.2 0.8 ! A.255 at -1.55e+07 assign (resid 548 and name HB2) (resid 548 and name HN) 3.0 1.2 0.5 ! A.258 at -9.11e+06 assign (resid 548 and name HD1#) (resid 548 and name HN) 3.0 1.2 1.0 ! A.265 at -2.02e+07 assign (resid 548 and name HD2#) (resid 548 and name HN) 3.0 1.2 1.0 ! A.275 at -7.48e+06 assign (resid 548 and name HG) (resid 548 and name HN) 3.0 1.2 1.0 ! A.285 at -1.47e+07 assign (resid 548 and name HA) (resid 549 and name HN) 2.5 0.7 0.4 ! A.331 at 9.30e+07 assign (resid 548 and name HB1) (resid 549 and name HN) 3.0 1.2 0.5 ! A.332 at 1.86e+07 assign (resid 548 and name HB2) (resid 549 and name HN) 3.0 1.2 1.0 ! A.260 at -7.05e+06 assign (resid 548 and name HD1#) (resid 549 and name HN) 3.0 1.2 1.0 ! A.266 at -1.34e+07 assign (resid 548 and name HD2#) (resid 549 and name HN) 4.0 2.2 1.5 ! A.276 at -4.29e+06 assign (resid 548 and name HA) (resid 549 and name HB1) 4.0 2.2 1.0 ! A.305 at -4.18e+06 assign (resid 548 and name HA) (resid 549 and name HB2) 4.0 2.2 1.0 ! A.306 at -4.19e+06 assign (resid 548 and name HB1) (resid 550 and name HA) 4.0 2.2 1.0 ! A.348 at -5.56e+06 assign (resid 548 and name HB2) (resid 550 and name HA) 4.0 2.2 1.0 ! A.349 at -3.39e+06 assign (resid 548 and name HB1) (resid 551 and name HN) 4.0 2.2 1.0 ! A.402 at 2.73e+06 assign (resid 548 and name HD1#) (resid 552 and name HN) 4.0 2.2 2.9 ! A.431 at 1.54e+06 assign (resid 548 and name HB1) (resid 553 and name HA) 3.0 1.2 0.3 ! A.261 at -6.27e+06 assign (resid 548 and name HB2) (resid 553 and name HA) 3.0 1.2 0.7 ! A.262 at -8.92e+06 assign (resid 548 and name HD1#) (resid 553 and name HA) 3.0 1.2 1.5 ! A.445 at -6.28e+06 assign (resid 548 and name HD2#) (resid 553 and name HA) 3.0 1.2 0.8 ! A.277 at -9.54e+06 assign (resid 548 and name HD2#) (resid 553 and name HB1) 3.0 1.2 0.8 ! A.278 at -1.35e+07 assign (resid 548 and name HD2#) (resid 553 and name HG1) 3.0 1.2 0.8 ! A.279 at -8.22e+06 assign (resid 548 and name HG) (resid 553 and name HA) 4.0 2.2 2.0 ! A.286 at -1.68e+06 assign (resid 548 and name HD1#) (resid 553 and name HB1) 4.0 2.2 2.5 ! A.452 at -1.23e+06 assign (resid 548 and name HD2#) (resid 553 and name HG2) 4.0 2.2 1.5 ! A.458 at -4.40e+06 assign (resid 548 and name HB1) (resid 553 and name HE21) 4.0 2.2 1.0 ! A.483 at 1.85e+06 assign (resid 548 and name HD2#) (resid 553 and name HE21) 4.0 2.2 1.5 ! A.486 at 2.13e+06 assign (resid 548 and name HB1) (resid 553 and name HE22) 4.0 2.2 1.0 ! A.484 at 2.27e+06 assign (resid 548 and name HD1#) (resid 553 and name HE22) 4.0 2.2 2.5 ! A.485 at 9.98e+05 assign (resid 548 and name HD2#) (resid 553 and name HE22) 4.0 2.2 2.5 ! A.487 at 1.37e+06 assign (resid 548 and name HB1) (resid 553 and name HN) 3.0 1.2 0.5 ! A.467 at 6.96e+06 assign (resid 548 and name HB2) (resid 553 and name HN) 4.0 2.2 1.0 ! A.468 at 4.66e+06 assign (resid 548 and name HD1#) (resid 553 and name HN) 4.0 2.2 1.5 ! A.469 at 3.32e+06 assign (resid 548 and name HD2#) (resid 553 and name HN) 4.0 2.2 1.5 ! A.470 at 1.88e+06 assign (resid 548 and name HD1#) (resid 554 and name HA) 3.0 1.2 0.8 ! A.268 at -1.46e+07 assign (resid 548 and name HD2#) (resid 554 and name HA) 4.0 2.2 1.5 ! A.280 at -4.99e+06 assign (resid 548 and name HA) (resid 554 and name HN) 4.0 2.2 1.0 ! A.539 at 2.66e+06 assign (resid 548 and name HB2) (resid 554 and name HN) 3.0 1.2 1.5 ! A.540 at 6.23e+06 assign (resid 548 and name HD1#) (resid 554 and name HN) 3.0 1.2 1.0 ! A.541 at 6.89e+06 assign (resid 548 and name HD2#) (resid 554 and name HN) 4.0 2.2 1.5 ! A.542 at 4.58e+06 assign (resid 548 and name HD1#) (resid 555 and name HD1) 3.0 1.2 0.8 ! A.269 at -9.72e+06 assign (resid 548 and name HD1#) (resid 555 and name HD2) 3.0 1.2 0.8 ! A.270 at -1.18e+07 assign (resid 548 and name HD1#) (resid 555 and name HG1) 3.0 1.2 0.8 ! A.271 at -1.60e+07 assign (resid 548 and name HD1#) (resid 555 and name HG2) 3.0 1.2 0.8 ! A.272 at -9.89e+06 assign (resid 548 and name HA) (resid 555 and name HA) 3.0 1.2 0.3 ! A.561 at -3.76e+07 assign (resid 548 and name HD1#) (resid 555 and name HA) 3.0 1.2 0.8 ! A.562 at -2.98e+07 assign (resid 548 and name HG) (resid 555 and name HA) 3.0 1.2 0.7 ! A.563 at -7.94e+06 assign (resid 548 and name HD1#) (resid 555 and name HB1) 3.0 1.2 0.8 ! A.573 at -6.98e+06 assign (resid 548 and name HD1#) (resid 555 and name HB2) 4.0 2.2 1.5 ! A.574 at -4.20e+06 assign (resid 548 and name HA) (resid 556 and name HD1#) 4.0 2.2 1.5 ! A.248 at -2.04e+06 assign (resid 548 and name HA) (resid 556 and name HG12) 4.0 2.2 1.0 ! A.249 at -2.48e+06 assign (resid 548 and name HA) (resid 556 and name HN) 3.0 1.2 0.5 ! A.678 at 2.38e+07 ! C549 assign (resid 549 and name HB1) (resid 549 and name HN) 3.0 1.2 0.5 ! A.311 at -1.71e+07 assign (resid 549 and name HB2) (resid 549 and name HN) 3.0 1.2 0.5 ! A.312 at -1.53e+07 assign (resid 549 and name HA) (resid 550 and name HB2) 3.0 1.2 1.4 ! A.298 at -8.25e+06 assign (resid 549 and name HA) (resid 550 and name HN) 2.5 0.7 0.4 ! A.374 at 1.09e+08 assign (resid 549 and name HB1) (resid 550 and name HN) 4.0 2.2 2.0 ! A.313 at -1.62e+06 assign (resid 549 and name HB2) (resid 550 and name HN) 3.0 1.2 1.1 ! A.375 at 1.24e+07 assign (resid 549 and name HN) (resid 550 and name HN) 3.0 1.2 1.2 ! A.376 at 6.50e+06 assign (resid 549 and name HN) (resid 550 and name HA) 4.0 2.2 1.0 ! A.350 at -1.92e+06 assign (resid 549 and name HB1) (resid 551 and name HN) 4.0 2.2 2.0 ! A.315 at -1.67e+06 assign (resid 549 and name HB2) (resid 551 and name HN) 4.0 2.2 2.2 ! A.316 at -2.17e+06 assign (resid 549 and name HB1) (resid 552 and name HN) 3.0 1.2 0.5 ! A.432 at 1.76e+07 assign (resid 549 and name HB1) (resid 553 and name HA) 4.0 2.2 2.0 ! A.318 at -1.57e+06 assign (resid 549 and name HB1) (resid 553 and name HN) 3.0 1.2 0.5 ! A.471 at 1.42e+07 assign (resid 549 and name HN) (resid 553 and name HA) 4.0 2.2 1.0 ! A.340 at 2.77e+06 assign (resid 549 and name HN) (resid 553 and name HN) 4.0 2.2 2.0 ! A.341 at 1.67e+06 assign (resid 549 and name HN) (resid 554 and name HA) 4.0 2.2 1.0 ! A.342 at 2.06e+06 assign (resid 549 and name HB1) (resid 554 and name HN) 3.0 1.2 0.5 ! A.543 at 2.42e+07 assign (resid 549 and name HN) (resid 555 and name HA) 4.0 2.2 1.0 ! A.564 at -4.77e+06 assign (resid 549 and name HA) (resid 556 and name HD1#) 3.0 1.2 0.8 ! A.300 at -3.38e+07 assign (resid 549 and name HA) (resid 556 and name HG11) 3.0 1.2 0.3 ! A.301 at -5.92e+06 assign (resid 549 and name HA) (resid 556 and name HG12) 4.0 2.2 1.0 ! A.302 at -3.23e+06 assign (resid 549 and name HB1) (resid 556 and name HD1#) 3.0 1.2 0.8 ! A.320 at -6.43e+06 assign (resid 549 and name HB1) (resid 556 and name HG11) 4.0 2.2 1.0 ! A.322 at -4.33e+06 assign (resid 549 and name HB1) (resid 556 and name HG12) 4.0 2.2 1.0 ! A.324 at -3.45e+06 assign (resid 549 and name HB1) (resid 556 and name HG2#) 4.0 2.2 2.5 ! A.326 at -1.77e+06 assign (resid 549 and name HB2) (resid 556 and name HD1#) 3.0 1.2 0.8 ! A.321 at -6.23e+06 assign (resid 549 and name HB2) (resid 556 and name HG11) 3.0 1.2 0.3 ! A.323 at -7.46e+06 assign (resid 549 and name HB2) (resid 556 and name HG12) 3.0 1.2 0.3 ! A.325 at -5.95e+06 assign (resid 549 and name HN) (resid 556 and name HD1#) 3.0 1.2 1.0 ! A.343 at 1.48e+07 assign (resid 549 and name HN) (resid 556 and name HG11) 3.0 1.2 0.5 ! A.344 at 1.11e+07 assign (resid 549 and name HN) (resid 556 and name HG12) 3.0 1.2 0.5 ! A.345 at 7.19e+06 assign (resid 549 and name HB2) (resid 556 and name HA) 4.0 2.2 1.0 ! A.617 at -2.77e+06 assign (resid 549 and name HA) (resid 568 and name HA) 3.0 1.2 0.3 ! A.303 at -9.49e+06 assign (resid 549 and name HB1) (resid 568 and name HA) 4.0 2.2 1.0 ! A.1071 at -3.86e+06 assign (resid 549 and name HB2) (resid 568 and name HA) 4.0 2.2 1.0 ! A.328 at -2.02e+06 assign (resid 549 and name HN) (resid 568 and name HA) 4.0 2.2 1.0 ! A.346 at 2.03e+06 assign (resid 549 and name HA) (resid 568 and name HN) 4.0 2.2 1.0 ! A.1108 at 5.41e+06 assign (resid 549 and name HA) (resid 569 and name HN) 3.0 1.2 0.5 ! A.1140 at 1.03e+07 assign (resid 549 and name HB1) (resid 569 and name HN) 4.0 2.2 1.0 ! A.329 at -2.44e+06 assign (resid 549 and name HB2) (resid 569 and name HN) 4.0 2.2 1.0 ! A.330 at -4.28e+06 assign (resid 549 and name HN) (resid 569 and name HN) 4.0 2.2 1.0 ! A.347 at 2.94e+06 ! S550 assign (resid 550 and name HB1) (resid 550 and name HN) 3.0 1.2 0.5 ! A.363 at -1.18e+07 assign (resid 550 and name HB2) (resid 550 and name HN) 3.0 1.2 0.5 ! A.364 at -2.38e+07 assign (resid 550 and name HA) (resid 551 and name HN) 3.0 1.2 0.5 ! A.354 at -6.70e+06 assign (resid 550 and name HB1) (resid 551 and name HN) 3.0 1.2 0.5 ! A.404 at 1.32e+07 assign (resid 550 and name HB2) (resid 551 and name HN) 3.0 1.2 1.2 ! A.405 at 1.08e+07 assign (resid 550 and name HN) (resid 551 and name HA2) 4.0 2.2 1.9 ! A.380 at 3.23e+06 assign (resid 550 and name HN) (resid 551 and name HN) 3.0 1.2 1.2 ! A.406 at 1.42e+07 assign (resid 550 and name HA) (resid 552 and name HN) 4.0 2.2 1.0 ! A.355 at -1.81e+06 assign (resid 550 and name HN) (resid 552 and name HN) 4.0 2.2 1.0 ! A.382 at 3.10e+06 assign (resid 550 and name HA) (resid 553 and name HG1) 4.0 2.2 1.0 ! A.356 at -4.52e+06 assign (resid 550 and name HA) (resid 553 and name HN) 4.0 2.2 1.0 ! A.357 at -4.04e+06 assign (resid 550 and name HN) (resid 553 and name HN) 4.0 2.2 2.0 ! A.383 at 1.65e+06 assign (resid 550 and name HA) (resid 553 and name HE21) 3.0 1.2 0.3 ! A.488 at 6.66e+06 assign (resid 550 and name HB1) (resid 553 and name HE21) 4.0 2.2 1.0 ! A.490 at 1.96e+06 assign (resid 550 and name HB2) (resid 553 and name HE21) 4.0 2.2 2.0 ! A.492 at 1.41e+06 assign (resid 550 and name HA) (resid 553 and name HE22) 3.0 1.2 0.3 ! A.489 at 1.13e+07 assign (resid 550 and name HB1) (resid 553 and name HE22) 4.0 2.2 2.0 ! A.491 at 1.54e+06 assign (resid 550 and name HB2) (resid 553 and name HE22) 4.0 2.2 2.0 ! A.493 at 1.29e+06 assign (resid 550 and name HA) (resid 556 and name HD1#) 4.0 2.2 1.5 ! A.358 at -1.82e+06 assign (resid 550 and name HB2) (resid 556 and name HD1#) 4.0 2.2 1.5 ! A.367 at -3.12e+06 assign (resid 550 and name HN) (resid 556 and name HD1#) 3.0 1.2 1.0 ! A.384 at 2.31e+07 assign (resid 550 and name HN) (resid 556 and name HG11) 4.0 2.2 1.0 ! A.385 at 3.27e+06 assign (resid 550 and name HN) (resid 556 and name HG12) 4.0 2.2 2.0 ! A.386 at 1.73e+06 assign (resid 550 and name HA) (resid 566 and name HB1) 4.0 2.2 1.0 ! A.359 at -2.07e+06 assign (resid 550 and name HB1) (resid 566 and name HB1) 3.0 1.2 0.3 ! A.368 at -1.35e+07 assign (resid 550 and name HB1) (resid 566 and name HD2) 3.0 1.2 0.3 ! A.370 at -1.04e+07 assign (resid 550 and name HB2) (resid 566 and name HB1) 3.0 1.2 0.3 ! A.369 at -1.12e+07 assign (resid 550 and name HB2) (resid 566 and name HD2) 3.0 1.2 0.3 ! A.371 at -1.28e+07 assign (resid 550 and name HN) (resid 566 and name HB1) 4.0 2.2 1.0 ! A.387 at 3.79e+06 assign (resid 550 and name HB1) (resid 566 and name HA) 4.0 2.2 1.0 ! A.977 at -2.13e+06 assign (resid 550 and name HB1) (resid 566 and name HD1) 4.0 2.2 1.0 ! A.990 at -3.75e+06 assign (resid 550 and name HB1) (resid 567 and name HN) 4.0 2.2 1.0 ! A.372 at -3.64e+06 assign (resid 550 and name HB2) (resid 567 and name HN) 3.0 1.2 1.0 ! A.1057 at 1.37e+07 assign (resid 550 and name HN) (resid 567 and name HB1) 3.0 1.2 0.5 ! A.388 at 6.36e+06 assign (resid 550 and name HN) (resid 567 and name HN) 3.0 1.2 0.5 ! A.1058 at 7.01e+06 assign (resid 550 and name HN) (resid 568 and name HA) 3.0 1.2 0.5 ! A.389 at 1.93e+07 assign (resid 550 and name HB2) (resid 568 and name HA) 4.0 2.2 1.0 ! A.1073 at -2.33e+06 assign (resid 550 and name HN) (resid 569 and name HN) 4.0 2.2 1.0 ! A.390 at 2.61e+06 ! G551 assign (resid 551 and name HA1) (resid 552 and name HN) 3.0 1.2 0.5 ! A.395 at -9.57e+06 assign (resid 551 and name HA2) (resid 552 and name HN) 3.0 1.2 0.5 ! A.396 at -8.55e+06 assign (resid 551 and name HN) (resid 552 and name HA) 4.0 2.2 2.0 ! A.409 at 9.18e+05 assign (resid 551 and name HN) (resid 552 and name HN) 3.0 1.2 0.5 ! A.410 at 4.23e+07 assign (resid 551 and name HN) (resid 552 and name HB2) 4.0 2.2 1.0 ! A.419 at -2.17e+06 assign (resid 551 and name HA1) (resid 553 and name HN) 4.0 2.2 1.0 ! A.397 at -2.57e+06 assign (resid 551 and name HN) (resid 553 and name HG1) 3.0 1.2 1.1 ! A.411 at 7.91e+06 assign (resid 551 and name HN) (resid 553 and name HN) 3.0 1.2 0.5 ! A.412 at 1.21e+07 assign (resid 551 and name HA1) (resid 553 and name HE21) 4.0 2.2 2.0 ! A.494 at 1.07e+06 assign (resid 551 and name HA1) (resid 553 and name HE22) 4.0 2.2 1.0 ! A.495 at 2.11e+06 assign (resid 551 and name HN) (resid 554 and name HN) 4.0 2.2 2.0 ! A.413 at 9.88e+05 assign (resid 551 and name HN) (resid 556 and name HD1#) 4.0 2.2 2.6 ! A.414 at 3.72e+06 !assign (resid 551 and name HN) (resid 566 and name HB1) 4.0 2.2 2.0 ! A.415 at 1.55e+06 assign (resid 551 and name HN) (resid 568 and name HA) 4.0 2.2 1.4 ! A.416 at 5.70e+06 !! relaxed assign (resid 551 and name HA1) (resid 572 and name HB1) 4.0 2.2 1.0 ! A.398 at -4.64e+06 assign (resid 551 and name HA1) (resid 572 and name HB2) 4.0 2.2 1.0 ! A.400 at -3.90e+06 assign (resid 551 and name HA2) (resid 572 and name HB1) 4.0 2.2 1.0 ! A.399 at -3.59e+06 assign (resid 551 and name HA2) (resid 572 and name HB2) 4.0 2.2 1.8 ! A.401 at -4.07e+06 assign (resid 551 and name HN) (resid 572 and name HB1) 4.0 2.2 2.1 ! A.417 at 4.89e+06 assign (resid 551 and name HN) (resid 572 and name HB2) 4.0 2.2 2.2 ! A.418 at 4.58e+06 ! C552 assign (resid 552 and name HB1) (resid 552 and name HN) 3.0 1.2 0.5 ! A.424 at -5.81e+06 assign (resid 552 and name HB2) (resid 552 and name HN) 3.0 1.2 0.5 ! A.425 at -8.84e+06 assign (resid 552 and name HB1) (resid 553 and name HN) 4.0 2.2 1.0 ! A.476 at 4.92e+06 assign (resid 552 and name HB2) (resid 553 and name HN) 4.0 2.2 1.0 ! A.427 at -4.27e+06 assign (resid 552 and name HN) (resid 553 and name HN) 2.5 0.7 0.4 ! A.440 at 4.72e+07 assign (resid 552 and name HN) (resid 553 and name HA) 3.0 1.2 1.1 ! A.447 at -7.07e+06 assign (resid 552 and name HA) (resid 553 and name HN) 3.0 1.2 0.5 ! A.475 at 1.12e+07 assign (resid 552 and name HB1) (resid 554 and name HD1) 4.0 2.2 1.0 ! A.428 at -2.69e+06 assign (resid 552 and name HB1) (resid 554 and name HG2) 4.0 2.2 1.0 ! A.429 at -2.67e+06 assign (resid 552 and name HB1) (resid 554 and name HN) 4.0 2.2 1.0 ! A.430 at -1.89e+06 assign (resid 552 and name HN) (resid 554 and name HN) 3.0 1.2 0.9 ! A.546 at 6.21e+06 assign (resid 552 and name HA) (resid 554 and name HN) 4.0 2.2 1.0 ! A.544 at 2.43e+06 assign (resid 552 and name HN) (resid 556 and name HD1#) 4.0 2.2 1.5 ! A.442 at 1.90e+06 assign (resid 552 and name HN) (resid 568 and name HA) 4.0 2.2 1.0 ! A.443 at 1.82e+06 assign (resid 552 and name HN) (resid 569 and name HB1) 4.0 2.2 2.9 ! A.1126 at -2.09e+06 assign (resid 552 and name HN) (resid 569 and name HB2) 4.0 2.2 1.5 ! A.1127 at -4.78e+06 assign (resid 552 and name HN) (resid 569 and name HN) 4.0 2.2 1.0 ! A.1142 at 3.41e+06 assign (resid 552 and name HN) (resid 572 and name HB1) 4.0 2.2 2.0 ! A.1268 at -1.48e+06 assign (resid 552 and name HN) (resid 572 and name HB2) 4.0 2.2 2.0 ! A.1269 at -1.25e+06 ! Q553 assign (resid 553 and name HA) (resid 553 and name HG1) 2.5 0.7 0.2 ! A.448 at -5.28e+07 assign (resid 553 and name HA) (resid 553 and name HG2) 3.0 1.2 0.7 ! A.449 at -1.85e+07 assign (resid 553 and name HB1) (resid 553 and name HN) 4.0 2.2 1.0 ! A.456 at -4.70e+06 assign (resid 553 and name HG1) (resid 553 and name HE21) 3.0 1.2 0.3 ! A.461 at -9.37e+06 assign (resid 553 and name HG1) (resid 553 and name HE22) 4.0 2.2 1.0 ! A.463 at -3.03e+06 assign (resid 553 and name HG1) (resid 553 and name HN) 3.0 1.2 0.9 ! A.465 at -9.08e+06 assign (resid 553 and name HG2) (resid 553 and name HE21) 3.0 1.2 0.3 ! A.462 at -8.83e+06 assign (resid 553 and name HG2) (resid 553 and name HE22) 4.0 2.2 1.0 ! A.464 at -2.49e+06 assign (resid 553 and name HG2) (resid 553 and name HN) 3.0 1.2 1.3 ! A.466 at -8.73e+06 assign (resid 553 and name HE21) (resid 553 and name HA) 4.0 2.2 1.0 ! A.496 at 3.18e+06 assign (resid 553 and name HE21) (resid 553 and name HN) 4.0 2.2 1.0 ! A.500 at 2.30e+06 assign (resid 553 and name HE22) (resid 553 and name HA) 4.0 2.2 1.0 ! A.497 at 2.27e+06 assign (resid 553 and name HE22) (resid 553 and name HN) 4.0 2.2 2.0 ! A.501 at 1.60e+06 assign (resid 553 and name HA) (resid 554 and name HN) 3.0 1.2 0.5 ! A.451 at -1.23e+07 assign (resid 553 and name HN) (resid 554 and name HN) 3.0 1.2 0.5 ! A.481 at 2.49e+07 assign (resid 553 and name HB1) (resid 554 and name HN) 3.0 1.2 1.4 ! A.548 at 1.34e+07 assign (resid 553 and name HN) (resid 556 and name HD1#) 4.0 2.2 1.5 ! A.482 at 2.01e+06 ! K554 assign (resid 554 and name HA) (resid 554 and name HD1) 3.0 1.2 0.3 ! A.506 at -1.94e+07 assign (resid 554 and name HA) (resid 554 and name HG1) 3.0 1.2 0.8 ! A.507 at -8.11e+06 assign (resid 554 and name HA) (resid 554 and name HG2) 3.0 1.2 0.3 ! A.508 at -1.55e+07 assign (resid 554 and name HB1) (resid 554 and name HN) 4.0 2.2 1.0 ! A.517 at -4.07e+06 assign (resid 554 and name HD1) (resid 554 and name HN) 4.0 2.2 1.0 ! A.524 at -4.03e+06 assign (resid 554 and name HD2) (resid 554 and name HA) 3.0 1.2 0.3 ! A.523 at -1.28e+07 assign (resid 554 and name HD2) (resid 554 and name HN) 4.0 2.2 1.0 ! A.525 at -3.18e+06 assign (resid 554 and name HG1) (resid 554 and name HN) 4.0 2.2 1.0 ! A.533 at -5.35e+06 assign (resid 554 and name HG2) (resid 554 and name HN) 3.0 1.2 0.5 ! A.534 at -5.72e+06 assign (resid 554 and name HN) (resid 554 and name HB2) 3.0 1.2 0.5 ! A.552 at 2.99e+07 assign (resid 554 and name HA) (resid 555 and name HD1) 3.0 1.2 0.3 ! A.510 at -3.41e+07 assign (resid 554 and name HA) (resid 555 and name HD2) 2.5 0.7 0.2 ! A.511 at -4.66e+07 assign (resid 554 and name HB1) (resid 555 and name HD1) 3.0 1.2 0.3 ! A.518 at -1.31e+07 assign (resid 554 and name HB1) (resid 555 and name HD2) 3.0 1.2 0.3 ! A.520 at -1.12e+07 assign (resid 554 and name HB2) (resid 555 and name HD1) 3.0 1.2 1.5 ! A.519 at -1.16e+07 assign (resid 554 and name HB2) (resid 555 and name HD2) 4.0 2.2 1.0 ! A.521 at -5.37e+06 assign (resid 554 and name HD2) (resid 555 and name HD1) 4.0 2.2 1.0 ! A.526 at -3.35e+06 assign (resid 554 and name HG1) (resid 555 and name HD1) 4.0 2.2 1.4 ! A.535 at -3.25e+06 !! relaxed assign (resid 554 and name HG1) (resid 555 and name HD2) 4.0 2.2 1.0 ! A.537 at -2.69e+06 assign (resid 554 and name HG2) (resid 555 and name HD1) 4.0 2.2 1.0 ! A.536 at -3.54e+06 assign (resid 554 and name HG2) (resid 555 and name HD2) 4.0 2.2 1.0 ! A.538 at -4.28e+06 assign (resid 554 and name HN) (resid 555 and name HA) 4.0 2.2 1.0 ! A.556 at 2.21e+06 assign (resid 554 and name HN) (resid 555 and name HD1) 3.0 1.2 1.5 ! A.557 at 3.87e+07 assign (resid 554 and name HN) (resid 555 and name HD2) 4.0 2.2 1.0 ! A.558 at 3.02e+06 assign (resid 554 and name HA) (resid 555 and name HG1) 4.0 2.2 1.0 ! A.602 at -4.25e+06 assign (resid 554 and name HA) (resid 555 and name HG2) 4.0 2.2 1.0 ! A.603 at -5.09e+06 assign (resid 554 and name HN) (resid 556 and name HD1#) 4.0 2.2 1.5 ! A.559 at 1.88e+06 assign (resid 554 and name HN) (resid 556 and name HG12) 4.0 2.2 2.0 ! A.560 at 1.34e+06 ! P555 assign (resid 555 and name HA) (resid 555 and name HD1) 4.0 2.2 1.0 ! A.567 at -4.37e+06 assign (resid 555 and name HA) (resid 555 and name HD2) 4.0 2.2 1.0 ! A.568 at -3.70e+06 assign (resid 555 and name HA) (resid 555 and name HG1) 3.0 1.2 0.3 ! A.569 at -8.46e+06 assign (resid 555 and name HA) (resid 555 and name HG2) 3.0 1.2 0.9 ! A.570 at -8.41e+06 assign (resid 555 and name HB1) (resid 555 and name HD1) 3.0 1.2 1.1 ! A.579 at -1.28e+07 assign (resid 555 and name HB1) (resid 555 and name HD2) 3.0 1.2 0.9 ! A.581 at -1.32e+07 assign (resid 555 and name HB2) (resid 555 and name HD1) 3.0 1.2 0.9 ! A.580 at -7.87e+06 assign (resid 555 and name HA) (resid 556 and name HG11) 3.0 1.2 0.3 ! A.571 at -6.23e+06 assign (resid 555 and name HA) (resid 556 and name HG12) 4.0 2.2 1.0 ! A.572 at -2.91e+06 assign (resid 555 and name HB1) (resid 556 and name HN) 3.0 1.2 0.5 ! A.582 at -8.02e+06 assign (resid 555 and name HB2) (resid 556 and name HN) 3.0 1.2 0.5 ! A.681 at 1.62e+07 assign (resid 555 and name HA) (resid 556 and name HA) 4.0 2.2 1.0 ! A.618 at -3.01e+06 assign (resid 555 and name HA) (resid 556 and name HB) 4.0 2.2 1.0 ! A.626 at -4.62e+06 assign (resid 555 and name HB1) (resid 556 and name HB) 3.0 1.2 2.0 ! A.627 at -6.43e+06 assign (resid 555 and name HA) (resid 556 and name HN) 2.5 0.7 0.4 ! A.679 at 1.25e+08 assign (resid 555 and name HG2) (resid 556 and name HN) 4.0 2.2 1.0 ! A.682 at 3.77e+06 assign (resid 555 and name HB1) (resid 557 and name HG2#) 3.0 1.2 0.8 ! A.584 at -7.31e+06 assign (resid 555 and name HB2) (resid 557 and name HG2#) 3.0 1.2 0.8 ! A.585 at -2.56e+07 assign (resid 555 and name HG1) (resid 557 and name HG2#) 4.0 2.2 2.5 ! A.615 at -1.67e+06 assign (resid 555 and name HG2) (resid 557 and name HG2#) 4.0 2.2 1.5 ! A.616 at -2.26e+06 ! I556 assign (resid 556 and name HA) (resid 556 and name HD1#) 4.0 2.2 1.5 ! A.620 at -4.98e+06 assign (resid 556 and name HA) (resid 556 and name HG11) 3.0 1.2 0.3 ! A.621 at -8.54e+06 assign (resid 556 and name HA) (resid 556 and name HG12) 3.0 1.2 0.3 ! A.622 at -1.21e+07 assign (resid 556 and name HA) (resid 556 and name HG2#) 3.0 1.2 0.8 ! A.623 at -2.10e+07 assign (resid 556 and name HB) (resid 556 and name HD1#) 3.0 1.2 0.8 ! A.629 at -2.34e+07 assign (resid 556 and name HB) (resid 556 and name HN) 3.0 1.2 0.5 ! A.633 at -2.11e+07 assign (resid 556 and name HD1#) (resid 556 and name HN) 3.0 1.2 1.0 ! A.641 at -1.21e+07 assign (resid 556 and name HG11) (resid 556 and name HN) 3.0 1.2 0.5 ! A.658 at -9.79e+06 assign (resid 556 and name HG12) (resid 556 and name HN) 4.0 2.2 1.0 ! A.659 at -5.35e+06 assign (resid 556 and name HG2#) (resid 556 and name HN) 3.0 1.2 1.0 ! A.665 at -1.05e+07 assign (resid 556 and name HG2#) (resid 557 and name HA) 3.0 1.2 0.8 ! A.666 at -6.50e+06 assign (resid 556 and name HG2#) (resid 557 and name HB) 4.0 2.2 2.5 ! A.693 at -1.68e+06 assign (resid 556 and name HG2#) (resid 558 and name HN) 3.0 1.2 1.0 ! A.707 at 9.56e+06 assign (resid 556 and name HG2#) (resid 558 and name HA1) 4.0 2.2 2.5 ! A.698 at -8.34e+05 assign (resid 556 and name HD1#) (resid 560 and name HA) 3.0 1.2 0.8 ! A.739 at -8.25e+06 assign (resid 556 and name HG2#) (resid 560 and name HA) 3.0 1.2 0.8 ! A.668 at -1.20e+07 assign (resid 556 and name HG2#) (resid 560 and name HN) 4.0 2.2 1.5 ! A.669 at -3.52e+06 assign (resid 556 and name HD1#) (resid 560 and name HB1) 3.0 1.2 0.8 ! A.749 at -1.09e+07 assign (resid 556 and name HG2#) (resid 560 and name HB1) 3.0 1.2 0.8 ! A.751 at -2.31e+07 assign (resid 556 and name HB) (resid 560 and name HB2) 4.0 2.2 1.0 ! A.748 at -3.27e+06 assign (resid 556 and name HD1#) (resid 560 and name HB2) 3.0 1.2 0.8 ! A.750 at -1.15e+07 assign (resid 556 and name HG2#) (resid 560 and name HB2) 3.0 1.2 0.8 ! A.752 at -1.76e+07 assign (resid 556 and name HD1#) (resid 560 and name HN) 4.0 2.2 1.5 ! A.763 at 2.20e+06 assign (resid 556 and name HG2#) (resid 561 and name HN) 4.0 2.2 1.5 ! A.670 at -5.23e+06 assign (resid 556 and name HD1#) (resid 567 and name HA) 3.0 1.2 0.8 ! A.1016 at -7.69e+06 assign (resid 556 and name HD1#) (resid 567 and name HB1) 4.0 2.2 1.5 ! A.1027 at -5.34e+06 assign (resid 556 and name HD1#) (resid 567 and name HB2) 4.0 2.2 1.5 ! A.1028 at -5.54e+06 assign (resid 556 and name HD1#) (resid 567 and name HD1) 4.0 2.2 1.5 ! A.1036 at -2.18e+06 assign (resid 556 and name HD1#) (resid 567 and name HD2) 4.0 2.2 1.5 ! A.1037 at -2.99e+06 assign (resid 556 and name HD1#) (resid 567 and name HE1) 4.0 2.2 1.5 ! A.1045 at -3.73e+06 assign (resid 556 and name HD1#) (resid 567 and name HG1) 4.0 2.2 1.5 ! A.1051 at -2.86e+06 assign (resid 556 and name HD1#) (resid 567 and name HN) 3.0 1.2 1.5 ! A.1059 at 6.00e+06 assign (resid 556 and name HD1#) (resid 568 and name HA) 3.0 1.2 0.8 ! A.644 at -1.30e+07 assign (resid 556 and name HG11) (resid 568 and name HA) 4.0 2.2 1.0 ! A.1075 at -2.33e+06 assign (resid 556 and name HG12) (resid 568 and name HA) 4.0 2.2 2.0 ! A.1076 at -1.79e+06 assign (resid 556 and name HG2#) (resid 568 and name HA) 4.0 2.2 2.5 ! A.1077 at -1.63e+06 assign (resid 556 and name HD1#) (resid 568 and name HN) 3.0 1.2 1.0 ! A.1109 at 2.44e+07 assign (resid 556 and name HG2#) (resid 568 and name HN) 4.0 2.2 1.5 ! A.1110 at 3.55e+06 assign (resid 556 and name HD1#) (resid 569 and name HA) 4.0 2.2 1.5 ! A.645 at -2.45e+06 assign (resid 556 and name HD1#) (resid 569 and name HN) 3.0 1.2 1.0 ! A.646 at -8.50e+06 assign (resid 556 and name HG2#) (resid 569 and name HA) 3.0 1.2 0.8 ! A.671 at -7.62e+06 assign (resid 556 and name HG2#) (resid 569 and name HN) 4.0 2.2 1.5 ! A.672 at -1.87e+06 assign (resid 556 and name HG11) (resid 569 and name HN) 4.0 2.2 1.0 ! A.1144 at 4.64e+06 assign (resid 556 and name HG12) (resid 569 and name HN) 4.0 2.2 1.0 ! A.1145 at 5.08e+06 assign (resid 556 and name HG2#) (resid 570 and name HD2) 4.0 2.2 1.5 ! A.673 at -3.74e+06 assign (resid 556 and name HG2#) (resid 570 and name HG1) 3.0 1.2 0.8 ! A.674 at -7.60e+06 assign (resid 556 and name HD1#) (resid 570 and name HD1) 4.0 2.2 1.5 ! A.1185 at -1.94e+06 assign (resid 556 and name HG2#) (resid 570 and name HD1) 4.0 2.2 2.5 ! A.1186 at -5.16e+05 ! T557 assign (resid 557 and name HA) (resid 557 and name HG2#) 2.5 0.7 0.7 ! A.691 at -7.98e+07 assign (resid 557 and name HA) (resid 558 and name HN) 3.0 1.2 0.5 ! A.692 at -9.63e+06 assign (resid 557 and name HG2#) (resid 558 and name HA1) 4.0 2.2 2.5 ! A.699 at -1.58e+06 assign (resid 557 and name HG2#) (resid 558 and name HA2) 4.0 2.2 1.5 ! A.700 at -2.78e+06 assign (resid 557 and name HB) (resid 558 and name HN) 4.0 2.2 1.0 ! A.709 at 5.54e+06 assign (resid 557 and name HG2#) (resid 558 and name HN) 4.0 2.2 1.5 ! A.710 at 5.20e+06 ! G558 assign (resid 558 and name HA1) (resid 559 and name HN) 3.0 1.2 0.5 ! A.704 at -9.94e+06 assign (resid 558 and name HA2) (resid 559 and name HN) 3.0 1.2 0.5 ! A.705 at -1.07e+07 assign (resid 558 and name HN) (resid 559 and name HN) 4.0 2.2 1.0 ! A.713 at 1.85e+06 assign (resid 558 and name HA1) (resid 570 and name HG2) 4.0 2.2 1.0 ! A.706 at -3.21e+06 assign (resid 558 and name HN) (resid 570 and name HG2) 4.0 2.2 1.7 ! A.714 at 1.96e+06 ! R559 assign (resid 559 and name HA) (resid 559 and name HD1) 3.0 1.2 0.3 ! A.716 at -7.16e+06 assign (resid 559 and name HA) (resid 559 and name HG2) 3.0 1.2 0.3 ! A.717 at -1.88e+07 assign (resid 559 and name HB1) (resid 559 and name HD1) 3.0 1.2 0.3 ! A.721 at -2.37e+07 assign (resid 559 and name HB1) (resid 559 and name HN) 3.0 1.2 0.5 ! A.723 at -1.19e+07 assign (resid 559 and name HG1) (resid 559 and name HA) 3.0 1.2 0.7 ! A.726 at -8.85e+06 assign (resid 559 and name HG1) (resid 559 and name HN) 3.0 1.2 0.5 ! A.731 at -6.07e+06 assign (resid 559 and name HG2) (resid 559 and name HN) 3.0 1.2 0.5 ! A.732 at -7.74e+06 assign (resid 559 and name HN) (resid 559 and name HD1) 4.0 2.2 1.0 ! A.737 at 3.61e+06 assign (resid 559 and name HA) (resid 560 and name HB1) 3.0 1.2 0.9 ! A.719 at -6.08e+06 assign (resid 559 and name HA) (resid 560 and name HB2) 4.0 2.2 1.5 ! A.754 at -4.73e+06 assign (resid 559 and name HA) (resid 560 and name HN) 2.5 0.7 0.4 ! A.765 at 1.05e+08 assign (resid 559 and name HB1) (resid 560 and name HN) 3.0 1.2 0.5 ! A.766 at 2.30e+07 assign (resid 559 and name HD1) (resid 560 and name HN) 4.0 2.2 1.0 ! A.767 at 2.75e+06 assign (resid 559 and name HG2) (resid 560 and name HN) 3.0 1.2 0.9 ! A.768 at 6.68e+06 assign (resid 559 and name HD1) (resid 570 and name HG1) 4.0 2.2 1.0 ! A.1209 at -1.96e+06 ! C560 assign (resid 560 and name HB1) (resid 560 and name HN) 3.0 1.2 0.5 ! A.757 at -8.95e+06 assign (resid 560 and name HB2) (resid 560 and name HN) 3.0 1.2 1.0 ! A.758 at -8.45e+06 assign (resid 560 and name HA) (resid 561 and name HA) 4.0 2.2 1.0 ! A.743 at -2.68e+06 assign (resid 560 and name HA) (resid 561 and name HG12) 4.0 2.2 1.0 ! A.744 at -2.44e+06 assign (resid 560 and name HA) (resid 561 and name HN) 2.5 0.7 0.4 ! A.745 at -6.31e+07 assign (resid 560 and name HB1) (resid 561 and name HA) 4.0 2.2 2.0 ! A.759 at -1.54e+06 assign (resid 560 and name HB1) (resid 561 and name HN) 3.0 1.2 0.9 ! A.761 at -1.78e+07 assign (resid 560 and name HB2) (resid 561 and name HA) 4.0 2.2 1.0 ! A.760 at -2.11e+06 assign (resid 560 and name HB2) (resid 561 and name HN) 3.0 1.2 0.5 ! A.762 at -1.90e+07 assign (resid 560 and name HA) (resid 561 and name HB) 4.0 2.2 1.0 ! A.780 at -3.55e+06 assign (resid 560 and name HA) (resid 561 and name HG11) 4.0 2.2 1.0 ! A.802 at -2.39e+06 assign (resid 560 and name HB2) (resid 568 and name HN) 3.0 1.2 0.5 ! A.1111 at 1.03e+07 assign (resid 560 and name HA) (resid 569 and name HA) 3.0 1.2 1.0 ! A.746 at -6.06e+06 assign (resid 560 and name HA) (resid 570 and name HD2) 3.0 1.2 0.7 ! A.747 at -1.13e+07 assign (resid 560 and name HA) (resid 570 and name HA) 4.0 2.2 2.0 ! A.1157 at -1.51e+06 assign (resid 560 and name HA) (resid 570 and name HD1) 3.0 1.2 0.3 ! A.1188 at -1.03e+07 assign (resid 560 and name HA) (resid 570 and name HG1) 4.0 2.2 1.0 ! A.1210 at -2.53e+06 assign (resid 560 and name HA) (resid 570 and name HG2) 3.0 1.2 0.3 ! A.1211 at -6.82e+06 ! I561 assign (resid 561 and name HA) (resid 561 and name HD1#) 3.0 1.2 0.8 ! A.773 at -1.57e+07 assign (resid 561 and name HA) (resid 561 and name HG11) 3.0 1.2 1.0 ! A.774 at -7.68e+06 assign (resid 561 and name HA) (resid 561 and name HG12) 3.0 1.2 0.3 ! A.775 at -1.45e+07 assign (resid 561 and name HA) (resid 561 and name HG2#) 3.0 1.2 0.8 ! A.776 at -4.09e+07 assign (resid 561 and name HB) (resid 561 and name HD1#) 3.0 1.2 0.8 ! A.782 at -9.94e+06 assign (resid 561 and name HB) (resid 561 and name HN) 3.0 1.2 0.5 ! A.785 at -2.34e+07 assign (resid 561 and name HD1#) (resid 561 and name HN) 4.0 2.2 1.5 ! A.796 at -4.43e+06 assign (resid 561 and name HG11) (resid 561 and name HN) 3.0 1.2 0.5 ! A.812 at -6.87e+06 assign (resid 561 and name HG12) (resid 561 and name HN) 3.0 1.2 0.5 ! A.813 at -7.34e+06 assign (resid 561 and name HG2#) (resid 561 and name HN) 3.0 1.2 1.0 ! A.821 at -1.29e+07 assign (resid 561 and name HA) (resid 562 and name HB) 4.0 2.2 1.0 ! A.778 at -3.07e+06 assign (resid 561 and name HB) (resid 562 and name HN) 3.0 1.2 0.5 ! A.876 at 1.76e+07 assign (resid 561 and name HD1#) (resid 562 and name HN) 3.0 1.2 1.0 ! A.877 at 7.32e+06 assign (resid 561 and name HG11) (resid 562 and name HN) 4.0 2.2 1.3 ! A.878 at 6.44e+06 assign (resid 561 and name HG2#) (resid 562 and name HA) 3.0 1.2 0.8 ! A.848 at -6.29e+06 assign (resid 561 and name HG2#) (resid 562 and name HN) 2.5 0.7 0.9 ! A.879 at 5.82e+07 assign (resid 561 and name HG2#) (resid 562 and name HB) 4.0 2.2 1.5 ! A.860 at -2.49e+06 assign (resid 561 and name HA) (resid 562 and name HN) 2.5 0.7 0.4 ! A.875 at 1.42e+08 assign (resid 561 and name HN) (resid 562 and name HN) 4.0 2.2 1.0 ! A.880 at 4.13e+06 assign (resid 561 and name HB) (resid 563 and name HA) 4.0 2.2 1.5 ! A.886 at -3.88e+06 assign (resid 561 and name HG2#) (resid 563 and name HA) 4.0 2.2 1.5 ! A.887 at -1.98e+06 assign (resid 561 and name HB) (resid 563 and name HB#) 3.0 1.2 1.3 ! A.898 at -6.92e+06 assign (resid 561 and name HG2#) (resid 563 and name HB#) 3.0 1.2 1.3 ! A.899 at -1.22e+07 assign (resid 561 and name HG2#) (resid 563 and name HN) 3.0 1.2 1.0 ! A.907 at 8.58e+06 assign (resid 561 and name HA) (resid 568 and name HB2) 4.0 2.2 1.0 ! A.779 at -3.67e+06 assign (resid 561 and name HB) (resid 568 and name HB1) 4.0 2.2 1.0 ! A.787 at -5.53e+06 assign (resid 561 and name HB) (resid 568 and name HB2) 3.0 1.2 0.3 ! A.788 at -1.16e+07 assign (resid 561 and name HG11) (resid 568 and name HB1) 4.0 2.2 2.0 ! A.815 at -1.71e+06 assign (resid 561 and name HG12) (resid 568 and name HB1) 4.0 2.2 2.0 ! A.816 at -1.61e+06 assign (resid 561 and name HG2#) (resid 568 and name HB1) 4.0 2.2 1.5 ! A.824 at -3.21e+06 assign (resid 561 and name HG2#) (resid 568 and name HB2) 3.0 1.2 0.8 ! A.825 at -5.76e+06 assign (resid 561 and name HN) (resid 568 and name HB1) 4.0 2.2 1.0 ! A.843 at 3.58e+06 assign (resid 561 and name HN) (resid 568 and name HB2) 4.0 2.2 1.0 ! A.844 at 5.40e+06 assign (resid 561 and name HB) (resid 568 and name HA) 4.0 2.2 1.0 ! A.1078 at -2.89e+06 assign (resid 561 and name HD1#) (resid 568 and name HB1) 4.0 2.2 2.5 ! A.1088 at -1.73e+06 assign (resid 561 and name HD1#) (resid 568 and name HB2) 4.0 2.2 2.5 ! A.1089 at -1.47e+06 assign (resid 561 and name HG12) (resid 568 and name HB2) 4.0 2.2 2.0 ! A.1091 at -1.54e+06 assign (resid 561 and name HB) (resid 568 and name HN) 3.0 1.2 0.5 ! A.1112 at 1.10e+07 assign (resid 561 and name HG12) (resid 568 and name HN) 4.0 2.2 1.0 ! A.1113 at 3.89e+06 assign (resid 561 and name HN) (resid 569 and name HA) 4.0 2.2 2.0 ! A.845 at 1.42e+06 assign (resid 561 and name HB) (resid 570 and name HA) 4.0 2.2 1.0 ! A.789 at -3.37e+06 assign (resid 561 and name HD1#) (resid 570 and name HB1) 3.0 1.2 0.8 ! A.798 at -7.25e+06 assign (resid 561 and name HG2#) (resid 570 and name HA) 4.0 2.2 1.5 ! A.826 at -5.21e+06 assign (resid 561 and name HN) (resid 570 and name HD2) 4.0 2.2 1.0 ! A.846 at 3.62e+06 assign (resid 561 and name HN) (resid 570 and name HG2) 4.0 2.2 1.0 ! A.847 at 2.97e+06 assign (resid 561 and name HD1#) (resid 570 and name HA) 3.0 1.2 0.8 ! A.1158 at -2.06e+07 assign (resid 561 and name HG11) (resid 570 and name HA) 3.0 1.2 0.3 ! A.1159 at -1.48e+07 assign (resid 561 and name HG12) (resid 570 and name HA) 3.0 1.2 0.3 ! A.1160 at -1.70e+07 assign (resid 561 and name HN) (resid 570 and name HA) 4.0 2.2 1.0 ! A.1161 at -2.62e+06 assign (resid 561 and name HG11) (resid 570 and name HB1) 4.0 2.2 1.0 ! A.1174 at -2.66e+06 assign (resid 561 and name HG12) (resid 570 and name HB1) 4.0 2.2 1.0 ! A.1175 at -3.72e+06 assign (resid 561 and name HG2#) (resid 570 and name HB1) 4.0 2.2 1.5 ! A.1176 at -2.37e+06 assign (resid 561 and name HD1#) (resid 570 and name HB2) 4.0 2.2 1.5 ! A.1173 at -4.71e+06 assign (resid 561 and name HG12) (resid 570 and name HD1) 4.0 2.2 2.0 ! A.1190 at -1.74e+06 assign (resid 561 and name HN) (resid 570 and name HD1) 4.0 2.2 1.0 ! A.1192 at -2.51e+06 assign (resid 561 and name HG12) (resid 570 and name HD2) 4.0 2.2 1.0 ! A.1191 at -1.95e+06 assign (resid 561 and name HD1#) (resid 570 and name HG1) 4.0 2.2 1.5 ! A.1212 at -3.20e+06 assign (resid 561 and name HG12) (resid 570 and name HG1) 4.0 2.2 1.0 ! A.1214 at -2.81e+06 assign (resid 561 and name HD1#) (resid 570 and name HG2) 4.0 2.2 1.5 ! A.1213 at -2.46e+06 assign (resid 561 and name HD1#) (resid 571 and name HN) 4.0 2.2 2.5 ! A.1245 at 9.79e+05 assign (resid 561 and name HD1#) (resid 572 and name HN) 4.0 2.2 1.5 ! A.1281 at 2.24e+06 assign (resid 561 and name HB) (resid 573 and name HB1) 4.0 2.2 1.0 ! A.790 at -5.17e+06 assign (resid 561 and name HB) (resid 573 and name HB2) 4.0 2.2 1.0 ! A.791 at -2.71e+06 assign (resid 561 and name HD1#) (resid 573 and name HB1) 3.0 1.2 0.8 ! A.799 at -9.09e+06 assign (resid 561 and name HD1#) (resid 573 and name HN) 4.0 2.2 1.5 ! A.800 at -5.10e+06 assign (resid 561 and name HG2#) (resid 573 and name HB1) 3.0 1.2 0.8 ! A.827 at -6.17e+06 assign (resid 561 and name HG2#) (resid 573 and name HB2) 4.0 2.2 1.5 ! A.1304 at -2.58e+06 assign (resid 561 and name HG2#) (resid 573 and name HN) 4.0 2.2 1.5 ! A.829 at -2.89e+06 assign (resid 561 and name HG2#) (resid 573 and name HA) 4.0 2.2 1.5 ! A.1299 at -2.07e+06 assign (resid 561 and name HG12) (resid 573 and name HN) 4.0 2.2 2.0 ! A.1316 at 1.34e+06 assign (resid 561 and name HD1#) (resid 583 and name HA) 3.0 1.2 0.8 ! A.801 at -8.57e+06 assign (resid 561 and name HG2#) (resid 583 and name HA) 4.0 2.2 1.5 ! A.830 at -5.63e+06 assign (resid 561 and name HG2#) (resid 584 and name HB1) 3.0 1.2 0.8 ! A.831 at -7.53e+06 assign (resid 561 and name HG2#) (resid 584 and name HD1) 3.0 1.2 1.2 ! A.832 at -1.08e+07 assign (resid 561 and name HG2#) (resid 584 and name HA) 4.0 2.2 1.5 ! A.1785 at -4.71e+06 assign (resid 561 and name HD1#) (resid 584 and name HB1) 4.0 2.2 1.5 ! A.1792 at -4.41e+06 assign (resid 561 and name HG2#) (resid 584 and name HG1) 3.0 1.2 0.8 ! A.1801 at -5.76e+06 assign (resid 561 and name HD1#) (resid 584 and name HN) 4.0 2.2 2.5 ! A.1806 at 1.03e+06 ! T562 assign (resid 562 and name HA) (resid 562 and name HG2#) 3.0 1.2 0.8 ! A.850 at -2.79e+07 assign (resid 562 and name HB) (resid 562 and name HN) 3.0 1.2 0.5 ! A.863 at -2.43e+07 assign (resid 562 and name HG2#) (resid 562 and name HN) 3.0 1.2 1.0 ! A.871 at -8.36e+06 assign (resid 562 and name HA) (resid 563 and name HB#) 3.0 1.2 0.8 ! A.852 at -7.13e+06 assign (resid 562 and name HA) (resid 563 and name HN) 2.5 0.7 0.4 ! A.853 at -5.35e+07 assign (resid 562 and name HB) (resid 563 and name HB#) 4.0 2.2 1.5 ! A.864 at -2.94e+06 assign (resid 562 and name HB) (resid 563 and name HN) 3.0 1.2 1.2 ! A.865 at -6.04e+06 assign (resid 562 and name HG2#) (resid 563 and name HN) 3.0 1.2 1.0 ! A.872 at -2.49e+07 assign (resid 562 and name HN) (resid 563 and name HB#) 3.0 1.2 1.6 ! A.884 at 5.80e+06 assign (resid 562 and name HA) (resid 563 and name HA) 4.0 2.2 1.0 ! A.888 at -5.31e+06 assign (resid 562 and name HG2#) (resid 563 and name HA) 3.0 1.2 0.8 ! A.889 at -7.96e+06 assign (resid 562 and name HG2#) (resid 564 and name HN) 4.0 2.2 1.5 ! A.940 at 3.68e+06 assign (resid 562 and name HG2#) (resid 565 and name HA) 3.0 1.2 0.8 ! A.950 at -7.63e+06 assign (resid 562 and name HG2#) (resid 565 and name HN) 3.0 1.2 1.0 ! A.965 at 9.91e+06 assign (resid 562 and name HA) (resid 566 and name HN) 4.0 2.2 1.0 ! A.854 at -3.59e+06 !assign (resid 562 and name HB) (resid 566 and name HN) 4.0 2.2 2.0 ! A.866 at -9.60e+05 assign (resid 562 and name HG2#) (resid 566 and name HN) 3.0 1.2 1.0 ! A.873 at -6.06e+06 assign (resid 562 and name HA) (resid 567 and name HD2) 4.0 2.2 1.0 ! A.855 at -4.35e+06 assign (resid 562 and name HA) (resid 567 and name HE1) 4.0 2.2 1.0 ! A.856 at -3.58e+06 assign (resid 562 and name HA) (resid 567 and name HG1) 3.0 1.2 0.3 ! A.857 at -7.00e+06 assign (resid 562 and name HB) (resid 567 and name HD2) 4.0 2.2 1.0 ! A.867 at -2.44e+06 assign (resid 562 and name HB) (resid 567 and name HE1) 4.0 2.2 1.0 ! A.868 at -1.98e+06 assign (resid 562 and name HG2#) (resid 567 and name HE1) 3.0 1.2 0.8 ! A.874 at -2.17e+07 assign (resid 562 and name HG2#) (resid 567 and name HA) 4.0 2.2 1.5 ! A.1017 at -4.16e+06 assign (resid 562 and name HA) (resid 568 and name HB2) 4.0 2.2 1.5 ! A.858 at -2.04e+06 assign (resid 562 and name HN) (resid 584 and name HE1) 4.0 2.2 1.0 ! A.885 at 3.84e+06 ! A563 assign (resid 563 and name HB#) (resid 563 and name HN) 3.0 1.2 1.0 ! A.901 at -1.85e+07 assign (resid 563 and name HA) (resid 564 and name HA) 3.0 1.2 1.4 ! A.892 at -1.12e+07 assign (resid 563 and name HA) (resid 564 and name HG1) 4.0 2.2 1.0 ! A.893 at -2.60e+06 assign (resid 563 and name HA) (resid 564 and name HN) 2.5 0.7 0.4 ! A.894 at -7.31e+07 assign (resid 563 and name HB#) (resid 564 and name HA) 4.0 2.2 1.5 ! A.902 at -3.86e+06 assign (resid 563 and name HB#) (resid 564 and name HG1) 3.0 1.2 0.8 ! A.931 at -6.30e+06 assign (resid 563 and name HB#) (resid 564 and name HN) 3.0 1.2 1.0 ! A.904 at -1.76e+07 assign (resid 563 and name HN) (resid 564 and name HN) 3.0 1.2 0.9 ! A.913 at 6.01e+06 assign (resid 563 and name HB#) (resid 564 and name HG2) 4.0 2.2 1.5 ! A.932 at -4.85e+06 assign (resid 563 and name HN) (resid 565 and name HA) 4.0 2.2 2.0 ! A.914 at 1.43e+06 assign (resid 563 and name HA) (resid 565 and name HN) 3.0 1.2 0.9 ! A.966 at 1.51e+07 assign (resid 563 and name HB#) (resid 565 and name HN) 3.0 1.2 1.0 ! A.967 at 6.55e+06 assign (resid 563 and name HA) (resid 566 and name HB1) 4.0 2.2 2.2 ! A.895 at -3.03e+06 assign (resid 563 and name HA) (resid 566 and name HN) 4.0 2.2 1.0 ! A.896 at -3.42e+06 assign (resid 563 and name HB#) (resid 566 and name HB1) 3.0 1.2 0.8 ! A.905 at -8.43e+06 assign (resid 563 and name HB#) (resid 566 and name HN) 4.0 2.2 1.5 ! A.906 at -2.47e+06 assign (resid 563 and name HN) (resid 566 and name HB1) 3.0 1.2 1.1 ! A.915 at 5.80e+06 assign (resid 563 and name HN) (resid 566 and name HN) 3.0 1.2 0.5 ! A.916 at 2.51e+07 assign (resid 563 and name HN) (resid 566 and name HA) 4.0 2.2 1.0 ! A.978 at -3.43e+06 assign (resid 563 and name HN) (resid 567 and name HD2) 3.0 1.2 0.5 ! A.917 at 7.66e+06 assign (resid 563 and name HN) (resid 567 and name HE1) 4.0 2.2 2.0 ! A.918 at 1.51e+06 assign (resid 563 and name HN) (resid 567 and name HG1) 4.0 2.2 1.0 ! A.919 at 2.49e+06 assign (resid 563 and name HN) (resid 567 and name HA) 3.0 1.2 0.5 ! A.1018 at -6.77e+06 assign (resid 563 and name HA) (resid 584 and name HE1) 4.0 2.2 1.0 ! A.897 at -4.77e+06 ! M564 assign (resid 564 and name HA) (resid 564 and name HG1) 3.0 1.2 0.3 ! A.922 at -1.95e+07 assign (resid 564 and name HB1) (resid 564 and name HN) 4.0 2.2 2.0 ! A.927 at -1.68e+06 assign (resid 564 and name HG1) (resid 564 and name HN) 4.0 2.2 1.0 ! A.937 at -3.40e+06 assign (resid 564 and name HG2) (resid 564 and name HN) 3.0 1.2 0.5 ! A.938 at -5.97e+06 assign (resid 564 and name HN) (resid 564 and name HB2) 3.0 1.2 0.5 ! A.945 at 1.73e+07 assign (resid 564 and name HA) (resid 565 and name HN) 2.5 0.7 0.4 ! A.968 at 4.41e+07 assign (resid 564 and name HB1) (resid 565 and name HB#) 4.0 2.2 1.5 ! A.928 at -3.50e+06 assign (resid 564 and name HB1) (resid 565 and name HN) 3.0 1.2 1.1 ! A.969 at 1.35e+07 assign (resid 564 and name HB2) (resid 565 and name HN) 3.0 1.2 0.9 ! A.970 at 1.43e+07 assign (resid 564 and name HG1) (resid 565 and name HN) 4.0 2.2 1.0 ! A.971 at 4.49e+06 assign (resid 564 and name HN) (resid 565 and name HA) 4.0 2.2 1.4 ! A.947 at 3.54e+06 assign (resid 564 and name HN) (resid 565 and name HN) 3.0 1.2 0.5 ! A.948 at 3.87e+07 assign (resid 564 and name HB1) (resid 565 and name HA) 4.0 2.2 1.6 ! A.951 at -2.37e+06 assign (resid 564 and name HB2) (resid 565 and name HA) 4.0 2.2 1.6 ! A.952 at -2.46e+06 assign (resid 564 and name HA) (resid 565 and name HB#) 4.0 2.2 1.5 ! A.958 at -4.34e+06 assign (resid 564 and name HN) (resid 565 and name HB#) 4.0 2.2 1.5 ! A.959 at -4.04e+06 assign (resid 564 and name HN) (resid 566 and name HN) 4.0 2.2 1.0 ! A.949 at 5.51e+06 assign (resid 564 and name HA) (resid 566 and name HN) 3.0 1.2 1.0 ! A.1004 at 7.89e+06 assign (resid 564 and name HB1) (resid 566 and name HN) 3.0 1.2 1.0 ! A.1005 at 1.72e+07 assign (resid 564 and name HB2) (resid 566 and name HN) 3.0 1.2 0.5 ! A.1006 at 1.72e+07 assign (resid 564 and name HG1) (resid 566 and name HN) 4.0 2.2 2.0 ! A.1007 at 1.76e+06 ! A565 assign (resid 565 and name HB#) (resid 565 and name HN) 3.0 1.2 1.0 ! A.961 at -4.21e+07 assign (resid 565 and name HA) (resid 566 and name HA) 4.0 2.2 1.0 ! A.956 at -2.33e+06 assign (resid 565 and name HA) (resid 566 and name HN) 3.0 1.2 0.5 ! A.957 at -1.43e+07 assign (resid 565 and name HB#) (resid 566 and name HA) 4.0 2.2 1.5 ! A.962 at -3.53e+06 assign (resid 565 and name HB#) (resid 566 and name HE1) 4.0 2.2 1.5 ! A.963 at -3.39e+06 assign (resid 565 and name HB#) (resid 566 and name HN) 3.0 1.2 1.0 ! A.964 at -1.19e+07 assign (resid 565 and name HN) (resid 566 and name HB1) 4.0 2.2 1.0 ! A.975 at 2.65e+06 assign (resid 565 and name HN) (resid 566 and name HN) 2.5 0.7 0.4 ! A.976 at 4.34e+07 ! K566 assign (resid 566 and name HA) (resid 566 and name HD2) 3.0 1.2 1.3 ! A.980 at -4.33e+07 assign (resid 566 and name HA) (resid 566 and name HE1) 3.0 1.2 1.4 ! A.981 at -7.44e+06 assign (resid 566 and name HA) (resid 566 and name HG1) 3.0 1.2 0.3 ! A.982 at -3.07e+07 assign (resid 566 and name HB1) (resid 566 and name HD2) 3.0 1.2 0.3 ! A.986 at -2.82e+07 assign (resid 566 and name HB1) (resid 566 and name HE1) 4.0 2.2 1.0 ! A.987 at -3.48e+06 assign (resid 566 and name HB1) (resid 566 and name HN) 3.0 1.2 0.5 ! A.989 at -9.04e+06 assign (resid 566 and name HD1) (resid 566 and name HA) 4.0 2.2 1.0 ! A.992 at -3.03e+06 assign (resid 566 and name HD1) (resid 566 and name HB1) 2.5 0.7 1.1 ! A.993 at -1.24e+08 assign (resid 566 and name HD1) (resid 566 and name HN) 4.0 2.2 1.5 ! A.996 at -2.17e+06 assign (resid 566 and name HD2) (resid 566 and name HN) 4.0 2.2 2.0 ! A.997 at -1.60e+06 assign (resid 566 and name HG1) (resid 566 and name HE1) 3.0 1.2 0.3 ! A.1001 at -7.88e+06 assign (resid 566 and name HN) (resid 566 and name HE1) 4.0 2.2 1.0 ! A.1014 at 5.65e+06 assign (resid 566 and name HN) (resid 566 and name HG1) 3.0 1.2 0.5 ! A.1015 at 1.70e+07 assign (resid 566 and name HA) (resid 567 and name HA) 4.0 2.2 1.0 ! A.1019 at -3.14e+06 assign (resid 566 and name HA) (resid 567 and name HD1) 4.0 2.2 1.0 ! A.1038 at -2.60e+06 assign (resid 566 and name HA) (resid 567 and name HE1) 4.0 2.2 1.6 ! A.1047 at -3.15e+06 assign (resid 566 and name HA) (resid 567 and name HN) 2.5 0.7 0.4 ! A.1060 at 5.93e+07 assign (resid 566 and name HB1) (resid 567 and name HN) 3.0 1.2 0.5 ! A.1061 at 3.06e+07 ! K567 assign (resid 567 and name HA) (resid 567 and name HD1) 3.0 1.2 0.3 ! A.1020 at -2.27e+07 assign (resid 567 and name HA) (resid 567 and name HD2) 4.0 2.2 1.0 ! A.1021 at -2.93e+06 assign (resid 567 and name HA) (resid 567 and name HE1) 4.0 2.2 1.0 ! A.1022 at -4.63e+06 assign (resid 567 and name HA) (resid 567 and name HG1) 3.0 1.2 0.3 ! A.1023 at -2.33e+07 assign (resid 567 and name HB1) (resid 567 and name HN) 4.0 2.2 1.0 ! A.1031 at -5.16e+06 assign (resid 567 and name HB2) (resid 567 and name HN) 4.0 2.2 1.0 ! A.1032 at -2.67e+06 assign (resid 567 and name HE1) (resid 567 and name HG1) 3.0 1.2 0.3 ! A.1049 at -3.48e+07 assign (resid 567 and name HE1) (resid 567 and name HN) 4.0 2.2 1.0 ! A.1050 at -2.25e+06 assign (resid 567 and name HG1) (resid 567 and name HN) 4.0 2.2 1.0 ! A.1054 at -3.98e+06 assign (resid 567 and name HN) (resid 567 and name HD1) 2.5 0.7 0.4 ! A.1065 at 4.64e+07 assign (resid 567 and name HN) (resid 567 and name HD2) 2.5 0.7 0.4 ! A.1066 at 5.55e+07 assign (resid 567 and name HA) (resid 568 and name HB1) 4.0 2.2 1.6 ! A.1025 at -2.62e+06 assign (resid 567 and name HA) (resid 568 and name HB2) 4.0 2.2 1.0 ! A.1026 at -2.15e+06 assign (resid 567 and name HB1) (resid 568 and name HN) 4.0 2.2 1.0 ! A.1033 at -3.73e+06 assign (resid 567 and name HB2) (resid 568 and name HN) 3.0 1.2 0.5 ! A.1115 at 2.95e+07 assign (resid 567 and name HD2) (resid 568 and name HN) 4.0 2.2 1.0 ! A.1044 at -2.33e+06 assign (resid 567 and name HG1) (resid 568 and name HN) 3.0 1.2 0.5 ! A.1116 at 1.17e+07 assign (resid 567 and name HN) (resid 568 and name HA) 4.0 2.2 2.0 ! A.1069 at 1.38e+06 assign (resid 567 and name HA) (resid 568 and name HA) 4.0 2.2 1.0 ! A.1079 at -2.86e+06 assign (resid 567 and name HB1) (resid 568 and name HA) 4.0 2.2 1.0 ! A.1080 at -2.49e+06 assign (resid 567 and name HA) (resid 568 and name HN) 2.5 0.7 0.4 ! A.1114 at 9.14e+07 assign (resid 567 and name HN) (resid 568 and name HN) 3.0 1.2 1.4 ! A.1117 at 5.97e+06 ! F568 assign (resid 568 and name HB1) (resid 568 and name HN) 4.0 2.2 1.0 ! A.1098 at -4.91e+06 assign (resid 568 and name HB2) (resid 568 and name HN) 3.0 1.2 0.5 ! A.1099 at -8.45e+06 assign (resid 568 and name HA) (resid 569 and name HB1) 4.0 2.2 1.5 ! A.1084 at -2.95e+06 assign (resid 568 and name HA) (resid 569 and name HN) 2.5 0.7 0.4 ! A.1147 at 6.67e+07 assign (resid 568 and name HB1) (resid 569 and name HN) 4.0 2.2 1.0 ! A.1100 at -5.64e+06 assign (resid 568 and name HB2) (resid 569 and name HN) 3.0 1.2 0.9 ! A.1148 at 2.49e+07 assign (resid 568 and name HN) (resid 569 and name HN) 4.0 2.2 1.0 ! A.1121 at 3.04e+06 assign (resid 568 and name HB1) (resid 570 and name HA) 4.0 2.2 1.0 ! A.1162 at -1.96e+06 assign (resid 568 and name HB1) (resid 572 and name HN) 4.0 2.2 2.0 ! A.1102 at -9.75e+05 assign (resid 568 and name HA) (resid 572 and name HN) 4.0 2.2 1.4 ! A.1282 at 2.10e+06 assign (resid 568 and name HA) (resid 573 and name HB2) 4.0 2.2 2.0 ! A.1086 at -1.10e+06 assign (resid 568 and name HB1) (resid 573 and name HA) 4.0 2.2 1.0 ! A.1103 at -2.07e+06 assign (resid 568 and name HB1) (resid 573 and name HB2) 3.0 1.2 0.3 ! A.1106 at -6.83e+06 assign (resid 568 and name HB2) (resid 573 and name HA) 4.0 2.2 2.0 ! A.1104 at -1.60e+06 assign (resid 568 and name HB2) (resid 573 and name HB1) 4.0 2.2 1.0 ! A.1105 at -2.43e+06 assign (resid 568 and name HB2) (resid 573 and name HB2) 3.0 1.2 0.3 ! A.1107 at -6.27e+06 assign (resid 568 and name HN) (resid 573 and name HB2) 4.0 2.2 1.0 ! A.1122 at 1.93e+06 assign (resid 568 and name HB2) (resid 573 and name HN) 3.0 1.2 1.0 ! A.1318 at 6.02e+06 ! H569 assign (resid 569 and name HB1) (resid 569 and name HN) 4.0 2.2 1.0 ! A.1132 at -5.44e+06 assign (resid 569 and name HN) (resid 569 and name HB2) 3.0 1.2 0.5 ! A.1151 at 4.23e+07 assign (resid 569 and name HA) (resid 570 and name HD1) 3.0 1.2 0.3 ! A.1123 at -2.93e+07 assign (resid 569 and name HA) (resid 570 and name HD2) 3.0 1.2 0.3 ! A.1124 at -3.40e+07 assign (resid 569 and name HB1) (resid 570 and name HD1) 4.0 2.2 2.0 ! A.1133 at -1.65e+06 assign (resid 569 and name HB1) (resid 570 and name HD2) 4.0 2.2 2.0 ! A.1134 at -1.46e+06 assign (resid 569 and name HN) (resid 570 and name HD1) 4.0 2.2 1.0 ! A.1152 at 4.97e+06 assign (resid 569 and name HN) (resid 570 and name HD2) 4.0 2.2 1.0 ! A.1153 at 1.89e+06 assign (resid 569 and name HA) (resid 570 and name HA) 4.0 2.2 2.0 ! A.1163 at -1.13e+06 assign (resid 569 and name HB2) (resid 570 and name HD1) 4.0 2.2 1.0 ! A.1196 at -3.87e+06 assign (resid 569 and name HB2) (resid 570 and name HD2) 4.0 2.2 1.0 ! A.1197 at -4.48e+06 assign (resid 569 and name HA) (resid 570 and name HG1) 4.0 2.2 1.0 ! A.1215 at -2.08e+06 assign (resid 569 and name HA) (resid 570 and name HG2) 4.0 2.2 1.0 ! A.1216 at -2.12e+06 assign (resid 569 and name HB1) (resid 571 and name HN) 3.0 1.2 0.5 ! A.1247 at 7.62e+06 assign (resid 569 and name HB2) (resid 571 and name HN) 4.0 2.2 1.0 ! A.1136 at -2.11e+06 assign (resid 569 and name HB1) (resid 571 and name HG2) 4.0 2.2 2.0 ! A.1233 at -9.78e+05 assign (resid 569 and name HB2) (resid 571 and name HG2) 4.0 2.2 1.0 ! A.1234 at -3.07e+06 assign (resid 569 and name HA) (resid 571 and name HN) 4.0 2.2 1.0 ! A.1246 at 2.95e+06 assign (resid 569 and name HN) (resid 571 and name HN) 4.0 2.2 2.0 ! A.1248 at 1.78e+06 assign (resid 569 and name HA) (resid 572 and name HB2) 3.0 1.2 1.8 ! A.1125 at -1.57e+07 assign (resid 569 and name HB1) (resid 572 and name HB1) 4.0 2.2 1.0 ! A.1137 at -2.34e+06 assign (resid 569 and name HB1) (resid 572 and name HN) 3.0 1.2 0.5 ! A.1284 at 2.01e+07 assign (resid 569 and name HB2) (resid 572 and name HN) 4.0 2.2 1.0 ! A.1139 at -3.22e+06 assign (resid 569 and name HN) (resid 572 and name HB1) 4.0 2.2 1.0 ! A.1154 at 5.55e+06 assign (resid 569 and name HB1) (resid 572 and name HA) 4.0 2.2 2.0 ! A.1259 at -1.15e+06 assign (resid 569 and name HB1) (resid 572 and name HB2) 4.0 2.2 1.0 ! A.1271 at -2.58e+06 assign (resid 569 and name HN) (resid 572 and name HB2) 4.0 2.2 2.0 ! A.1273 at -7.07e+05 assign (resid 569 and name HA) (resid 572 and name HN) 4.0 2.2 1.0 ! A.1283 at 3.64e+06 assign (resid 569 and name HN) (resid 572 and name HN) 3.0 1.2 0.5 ! A.1285 at 6.10e+06 assign (resid 569 and name HN) (resid 573 and name HB2) 4.0 2.2 1.0 ! A.1155 at 2.08e+06 assign (resid 569 and name HN) (resid 573 and name HN) 4.0 2.2 2.0 ! A.1156 at 1.23e+06 ! P570 assign (resid 570 and name HA) (resid 570 and name HG1) 3.0 1.2 0.3 ! A.1166 at -6.31e+06 assign (resid 570 and name HA) (resid 570 and name HG2) 3.0 1.2 0.9 ! A.1167 at -1.39e+07 assign (resid 570 and name HB1) (resid 570 and name HD2) 4.0 2.2 1.0 ! A.1180 at -5.33e+06 assign (resid 570 and name HD1) (resid 570 and name HB1) 4.0 2.2 1.0 ! A.1198 at -3.11e+06 assign (resid 570 and name HD1) (resid 570 and name HB2) 4.0 2.2 1.0 ! A.1200 at -3.77e+06 assign (resid 570 and name HA) (resid 571 and name HN) 3.0 1.2 0.5 ! A.1168 at -5.87e+06 assign (resid 570 and name HB1) (resid 571 and name HN) 3.0 1.2 1.3 ! A.1183 at -5.88e+06 assign (resid 570 and name HB2) (resid 571 and name HN) 3.0 1.2 0.5 ! A.1184 at -7.46e+06 assign (resid 570 and name HD1) (resid 571 and name HN) 4.0 2.2 1.0 ! A.1207 at -3.23e+06 assign (resid 570 and name HD2) (resid 571 and name HN) 3.0 1.2 0.5 ! A.1250 at 1.80e+07 assign (resid 570 and name HG1) (resid 571 and name HN) 4.0 2.2 1.0 ! A.1223 at -3.40e+06 assign (resid 570 and name HA) (resid 572 and name HN) 4.0 2.2 1.0 ! A.1169 at -3.59e+06 assign (resid 570 and name HA) (resid 573 and name HB1) 4.0 2.2 1.0 ! A.1170 at -5.32e+06 assign (resid 570 and name HA) (resid 573 and name HN) 4.0 2.2 1.0 ! A.1171 at -5.18e+06 ! E571 assign (resid 571 and name HA) (resid 571 and name HG1) 3.0 1.2 0.7 ! A.1225 at -1.92e+07 assign (resid 571 and name HB1) (resid 571 and name HN) 3.0 1.2 0.5 ! A.1231 at -7.27e+06 assign (resid 571 and name HB2) (resid 571 and name HN) 3.0 1.2 0.5 ! A.1232 at -6.76e+06 assign (resid 571 and name HG1) (resid 571 and name HN) 3.0 1.2 0.5 ! A.1241 at -7.81e+06 assign (resid 571 and name HG2) (resid 571 and name HA) 3.0 1.2 0.7 ! A.1236 at -7.43e+06 assign (resid 571 and name HG2) (resid 571 and name HN) 3.0 1.2 0.5 ! A.1242 at -6.94e+06 assign (resid 571 and name HA) (resid 572 and name HN) 3.0 1.2 0.5 ! A.1227 at -8.65e+06 assign (resid 571 and name HG1) (resid 572 and name HN) 3.0 1.2 0.5 ! A.1289 at 1.26e+07 assign (resid 571 and name HG2) (resid 572 and name HN) 3.0 1.2 0.5 ! A.1290 at 9.38e+06 assign (resid 571 and name HN) (resid 572 and name HA) 4.0 2.2 1.0 ! A.1256 at 1.85e+06 assign (resid 571 and name HN) (resid 572 and name HN) 3.0 1.2 0.5 ! A.1257 at 2.87e+07 assign (resid 571 and name HG2) (resid 572 and name HA) 4.0 2.2 1.0 ! A.1260 at -2.12e+06 assign (resid 571 and name HB1) (resid 572 and name HN) 4.0 2.2 1.0 ! A.1287 at 4.58e+06 assign (resid 571 and name HB2) (resid 572 and name HN) 4.0 2.2 1.0 ! A.1288 at 5.05e+06 assign (resid 571 and name HA) (resid 573 and name HN) 4.0 2.2 1.0 ! A.1228 at -4.62e+06 assign (resid 571 and name HN) (resid 573 and name HN) 3.0 1.2 0.5 ! A.1258 at 5.96e+06 assign (resid 571 and name HB2) (resid 573 and name HN) 4.0 2.2 2.0 ! A.1320 at 1.05e+06 assign (resid 571 and name HA) (resid 581 and name HG1) 4.0 2.2 1.0 ! A.1633 at -3.08e+06 assign (resid 571 and name HA) (resid 581 and name HG2) 4.0 2.2 1.0 ! A.1634 at -3.84e+06 assign (resid 571 and name HB2) (resid 581 and name HE21) 4.0 2.2 2.0 ! A.1666 at 1.04e+06 assign (resid 571 and name HB2) (resid 581 and name HE22) 4.0 2.2 2.0 ! A.1667 at 1.66e+06 assign (resid 571 and name HN) (resid 581 and name HE22) 4.0 2.2 2.0 ! A.1668 at 1.57e+06 ! H572 assign (resid 572 and name HB1) (resid 572 and name HN) 3.0 1.2 0.5 ! A.1278 at -5.88e+06 assign (resid 572 and name HB2) (resid 572 and name HN) 4.0 2.2 1.0 ! A.1279 at -4.71e+06 assign (resid 572 and name HA) (resid 573 and name HN) 3.0 1.2 0.5 ! A.1322 at 1.36e+07 assign (resid 572 and name HB1) (resid 573 and name HN) 3.0 1.2 0.9 ! A.1323 at 5.84e+06 assign (resid 572 and name HN) (resid 573 and name HA) 4.0 2.2 1.0 ! A.1295 at 3.78e+06 assign (resid 572 and name HN) (resid 573 and name HB1) 3.0 1.2 1.0 ! A.1296 at 5.92e+06 assign (resid 572 and name HN) (resid 573 and name HN) 2.5 0.7 0.4 ! A.1297 at 6.88e+07 assign (resid 572 and name HN) (resid 573 and name HB2) 4.0 2.2 1.0 ! A.1306 at -2.14e+06 assign (resid 572 and name HN) (resid 574 and name HN) 4.0 2.2 2.0 ! A.1298 at 8.60e+05 assign (resid 572 and name HA) (resid 574 and name HG1#) 3.0 1.2 0.8 ! A.1338 at -1.42e+07 assign (resid 572 and name HA) (resid 574 and name HG2#) 4.0 2.2 1.5 ! A.1351 at -4.78e+06 assign (resid 572 and name HB1) (resid 574 and name HG2#) 4.0 2.2 2.5 ! A.1352 at -1.66e+06 assign (resid 572 and name HA) (resid 574 and name HN) 4.0 2.2 1.0 ! A.1368 at 2.11e+06 assign (resid 572 and name HB1) (resid 574 and name HN) 4.0 2.2 1.0 ! A.1369 at 1.83e+06 assign (resid 572 and name HB2) (resid 574 and name HN) 4.0 2.2 1.5 ! A.1370 at 2.09e+06 ! F573 assign (resid 573 and name HB1) (resid 573 and name HN) 4.0 2.2 1.0 ! A.1311 at -5.59e+06 assign (resid 573 and name HB2) (resid 573 and name HN) 3.0 1.2 0.5 ! A.1312 at -6.11e+06 assign (resid 573 and name HA) (resid 574 and name HN) 2.5 0.7 0.4 ! A.1371 at 1.03e+08 assign (resid 573 and name HB1) (resid 574 and name HN) 3.0 1.2 1.3 ! A.1372 at 7.09e+06 assign (resid 573 and name HB2) (resid 574 and name HN) 3.0 1.2 1.3 ! A.1373 at 1.22e+07 assign (resid 573 and name HN) (resid 574 and name HA) 4.0 2.2 1.0 ! A.1328 at 2.96e+06 assign (resid 573 and name HN) (resid 574 and name HN) 3.0 1.2 1.0 ! A.1329 at 1.05e+07 assign (resid 573 and name HA) (resid 574 and name HG1#) 4.0 2.2 1.5 ! A.1339 at -3.96e+06 assign (resid 573 and name HN) (resid 574 and name HG1#) 3.0 1.2 1.0 ! A.1340 at -1.03e+07 assign (resid 573 and name HA) (resid 574 and name HG2#) 3.0 1.2 0.8 ! A.1353 at -6.37e+06 assign (resid 573 and name HN) (resid 574 and name HG2#) 4.0 2.2 2.5 ! A.1354 at -1.40e+06 assign (resid 573 and name HA) (resid 582 and name HD2#) 4.0 2.2 1.5 ! A.1302 at -1.98e+06 assign (resid 573 and name HB1) (resid 582 and name HN) 4.0 2.2 1.0 ! A.1315 at -2.26e+06 ! V574 assign (resid 574 and name HB) (resid 574 and name HN) 4.0 2.2 1.0 ! A.1331 at -2.55e+06 assign (resid 574 and name HG1#) (resid 574 and name HA) 3.0 1.2 0.8 ! A.1341 at -3.27e+07 assign (resid 574 and name HG1#) (resid 574 and name HN) 3.0 1.2 1.0 ! A.1343 at -1.44e+07 assign (resid 574 and name HG2#) (resid 574 and name HA) 3.0 1.2 0.8 ! A.1355 at -1.20e+07 assign (resid 574 and name HG2#) (resid 574 and name HN) 3.0 1.2 1.0 ! A.1357 at -4.28e+07 assign (resid 574 and name HB) (resid 575 and name HB1) 4.0 2.2 1.0 ! A.1332 at -2.47e+06 assign (resid 574 and name HB) (resid 575 and name HB2) 4.0 2.2 1.0 ! A.1333 at -2.57e+06 assign (resid 574 and name HB) (resid 575 and name HN) 3.0 1.2 0.5 ! A.1334 at -1.02e+07 assign (resid 574 and name HG1#) (resid 575 and name HN) 3.0 1.2 1.0 ! A.1344 at -7.98e+06 assign (resid 574 and name HG2#) (resid 575 and name HB1) 4.0 2.2 1.5 ! A.1358 at -2.32e+06 assign (resid 574 and name HG2#) (resid 575 and name HB2) 4.0 2.2 1.5 ! A.1359 at -1.99e+06 assign (resid 574 and name HG2#) (resid 575 and name HN) 3.0 1.2 1.0 ! A.1360 at -7.23e+06 assign (resid 574 and name HN) (resid 575 and name HN) 4.0 2.2 1.0 ! A.1377 at 5.19e+06 assign (resid 574 and name HA) (resid 575 and name HN) 2.5 0.7 0.4 ! A.1420 at 6.44e+07 assign (resid 574 and name HG2#) (resid 576 and name HA) 3.0 1.2 0.8 ! A.1361 at -7.84e+06 assign (resid 574 and name HG2#) (resid 577 and name HN) 4.0 2.2 1.5 ! A.1489 at 2.09e+06 assign (resid 574 and name HB) (resid 579 and name HA) 3.0 1.2 0.3 ! A.1335 at -1.51e+07 assign (resid 574 and name HG1#) (resid 579 and name HN) 4.0 2.2 1.5 ! A.1345 at -2.43e+06 assign (resid 574 and name HG2#) (resid 579 and name HA) 3.0 1.2 0.8 ! A.1362 at -3.04e+07 assign (resid 574 and name HG2#) (resid 579 and name HB1) 3.0 1.2 0.8 ! A.1363 at -9.16e+06 assign (resid 574 and name HG2#) (resid 579 and name HB2) 4.0 2.2 1.5 ! A.1364 at -4.00e+06 assign (resid 574 and name HG2#) (resid 579 and name HN) 3.0 1.2 1.0 ! A.1365 at -8.66e+06 assign (resid 574 and name HG2#) (resid 579 and name HG) 4.0 2.2 1.5 ! A.1561 at -2.54e+06 assign (resid 574 and name HG2#) (resid 580 and name HN) 4.0 2.2 1.5 ! A.1366 at -2.97e+06 assign (resid 574 and name HG1#) (resid 580 and name HA) 3.0 1.2 0.8 ! A.1576 at -6.75e+06 assign (resid 574 and name HG1#) (resid 580 and name HN) 3.0 1.2 1.5 ! A.1602 at 1.23e+07 assign (resid 574 and name HB) (resid 581 and name HA) 4.0 2.2 1.0 ! A.1336 at -2.02e+06 assign (resid 574 and name HG1#) (resid 581 and name HA) 2.5 0.7 0.7 ! A.1619 at -4.94e+07 assign (resid 574 and name HG1#) (resid 581 and name HG2) 3.0 1.2 0.8 ! A.1347 at -1.24e+07 assign (resid 574 and name HG1#) (resid 581 and name HN) 3.0 1.2 1.0 ! A.1348 at -7.04e+06 assign (resid 574 and name HN) (resid 581 and name HA) 4.0 2.2 1.0 ! A.1378 at 2.73e+06 assign (resid 574 and name HA) (resid 581 and name HA) 3.0 1.2 0.3 ! A.1618 at -9.66e+06 assign (resid 574 and name HG1#) (resid 581 and name HB2) 4.0 2.2 1.5 ! A.1626 at -4.40e+06 assign (resid 574 and name HA) (resid 581 and name HG1) 4.0 2.2 1.5 ! A.1635 at -2.77e+06 assign (resid 574 and name HG1#) (resid 581 and name HG1) 3.0 1.2 0.8 ! A.1637 at -1.33e+07 assign (resid 574 and name HA) (resid 581 and name HG2) 4.0 2.2 1.0 ! A.1636 at -3.08e+06 assign (resid 574 and name HG1#) (resid 581 and name HE21) 4.0 2.2 1.5 ! A.1669 at 3.26e+06 assign (resid 574 and name HG1#) (resid 581 and name HE22) 4.0 2.2 1.5 ! A.1670 at 3.47e+06 assign (resid 574 and name HB) (resid 582 and name HD2#) 4.0 2.2 2.5 ! A.1337 at -1.59e+06 assign (resid 574 and name HG1#) (resid 582 and name HD2#) 4.0 2.2 2.0 ! A.1349 at -3.36e+06 assign (resid 574 and name HG1#) (resid 582 and name HN) 3.0 1.2 1.0 ! A.1350 at -1.80e+07 assign (resid 574 and name HG2#) (resid 582 and name HD2#) 4.0 2.2 2.0 ! A.1367 at -4.03e+06 assign (resid 574 and name HN) (resid 582 and name HB1) 4.0 2.2 1.0 ! A.1379 at 3.30e+06 assign (resid 574 and name HN) (resid 582 and name HD2#) 3.0 1.2 1.7 ! A.1380 at 9.29e+06 assign (resid 574 and name HA) (resid 582 and name HD1#) 4.0 2.2 1.5 ! A.1699 at -4.98e+06 assign (resid 574 and name HA) (resid 582 and name HD2#) 3.0 1.2 0.8 ! A.1718 at -6.87e+06 assign (resid 574 and name HA) (resid 582 and name HG) 3.0 1.2 1.6 ! A.1739 at -6.73e+06 assign (resid 574 and name HA) (resid 582 and name HN) 3.0 1.2 0.5 ! A.1744 at 3.08e+07 assign (resid 574 and name HN) (resid 582 and name HN) 4.0 2.2 1.0 ! A.1745 at 3.15e+06 assign (resid 574 and name HN) (resid 594 and name HG1) 4.0 2.2 1.0 ! A.1381 at 4.38e+06 ! C575 assign (resid 575 and name HB1) (resid 575 and name HN) 3.0 1.2 0.5 ! A.1398 at -1.19e+07 assign (resid 575 and name HB2) (resid 575 and name HN) 3.0 1.2 0.5 ! A.1399 at -1.19e+07 assign (resid 575 and name HA) (resid 576 and name HN) 2.5 0.7 0.4 ! A.1385 at -4.66e+07 assign (resid 575 and name HN) (resid 576 and name HN) 4.0 2.2 1.0 ! A.1425 at 3.71e+06 assign (resid 575 and name HA) (resid 576 and name HB#) 4.0 2.2 1.5 ! A.1446 at -2.90e+06 assign (resid 575 and name HB1) (resid 576 and name HN) 4.0 2.2 1.0 ! A.1461 at 4.56e+06 assign (resid 575 and name HB2) (resid 576 and name HN) 3.0 1.2 1.4 ! A.1462 at 1.09e+07 assign (resid 575 and name HA) (resid 577 and name HN) 3.0 1.2 1.7 ! A.1490 at 1.01e+07 assign (resid 575 and name HB1) (resid 577 and name HN) 4.0 2.2 2.0 ! A.1400 at -1.24e+06 assign (resid 575 and name HB2) (resid 577 and name HN) 4.0 2.2 2.0 ! A.1401 at -1.18e+06 assign (resid 575 and name HN) (resid 577 and name HN) 4.0 2.2 2.0 ! A.1426 at 1.08e+06 assign (resid 575 and name HA) (resid 578 and name HN) 4.0 2.2 1.0 ! A.1518 at 4.33e+06 assign (resid 575 and name HA) (resid 579 and name HN) 4.0 2.2 1.5 ! A.1387 at -2.13e+06 assign (resid 575 and name HB1) (resid 579 and name HA) 4.0 2.2 1.0 ! A.1402 at -3.77e+06 assign (resid 575 and name HB1) (resid 579 and name HN) 3.0 1.2 0.5 ! A.1404 at -7.31e+06 assign (resid 575 and name HB2) (resid 579 and name HA) 4.0 2.2 1.0 ! A.1403 at -3.07e+06 assign (resid 575 and name HB2) (resid 579 and name HN) 4.0 2.2 1.4 ! A.1405 at -4.47e+06 assign (resid 575 and name HN) (resid 579 and name HA) 3.0 1.2 0.5 ! A.1427 at 7.92e+06 assign (resid 575 and name HN) (resid 579 and name HN) 3.0 1.2 1.8 ! A.1428 at 5.92e+06 assign (resid 575 and name HB1) (resid 580 and name HB1) 4.0 2.2 1.0 ! A.1406 at -2.48e+06 assign (resid 575 and name HB1) (resid 580 and name HD1) 4.0 2.2 1.0 ! A.1407 at -2.12e+06 assign (resid 575 and name HB1) (resid 580 and name HG2) 4.0 2.2 1.0 ! A.1409 at -4.22e+06 assign (resid 575 and name HB1) (resid 580 and name HN) 3.0 1.2 0.5 ! A.1411 at -1.08e+07 assign (resid 575 and name HB2) (resid 580 and name HD1) 4.0 2.2 1.0 ! A.1408 at -2.27e+06 assign (resid 575 and name HB2) (resid 580 and name HG2) 4.0 2.2 1.0 ! A.1410 at -3.50e+06 assign (resid 575 and name HB2) (resid 580 and name HN) 3.0 1.2 0.9 ! A.1412 at -7.64e+06 assign (resid 575 and name HN) (resid 580 and name HB1) 4.0 2.2 1.4 ! A.1429 at 6.59e+06 assign (resid 575 and name HN) (resid 580 and name HD1) 4.0 2.2 1.0 ! A.1430 at 3.72e+06 assign (resid 575 and name HN) (resid 580 and name HN) 4.0 2.2 1.0 ! A.1431 at -2.68e+06 assign (resid 575 and name HA) (resid 580 and name HN) 4.0 2.2 1.4 ! A.1603 at 4.19e+06 assign (resid 575 and name HN) (resid 581 and name HA) 3.0 1.2 0.9 ! A.1432 at 8.08e+06 assign (resid 575 and name HA) (resid 582 and name HD1#) 3.0 1.2 0.8 ! A.1388 at -9.50e+06 assign (resid 575 and name HA) (resid 582 and name HD2#) 3.0 1.2 0.8 ! A.1389 at -1.81e+07 assign (resid 575 and name HB1) (resid 582 and name HD1#) 3.0 1.2 0.8 ! A.1701 at -8.87e+06 assign (resid 575 and name HB1) (resid 582 and name HD2#) 4.0 2.2 1.5 ! A.1414 at -2.90e+06 assign (resid 575 and name HB2) (resid 582 and name HD2#) 4.0 2.2 1.5 ! A.1415 at -3.69e+06 assign (resid 575 and name HN) (resid 582 and name HB2) 4.0 2.2 1.0 ! A.1433 at 4.44e+06 assign (resid 575 and name HN) (resid 582 and name HD2#) 3.0 1.2 1.0 ! A.1434 at 1.08e+07 assign (resid 575 and name HB2) (resid 582 and name HD1#) 3.0 1.2 0.8 ! A.1702 at -1.59e+07 assign (resid 575 and name HN) (resid 582 and name HD1#) 3.0 1.2 1.0 ! A.1703 at -7.66e+06 assign (resid 575 and name HN) (resid 582 and name HG) 4.0 2.2 1.0 ! A.1740 at -3.91e+06 assign (resid 575 and name HA) (resid 594 and name HB2) 3.0 1.2 0.3 ! A.1390 at -1.16e+07 assign (resid 575 and name HA) (resid 594 and name HG1) 4.0 2.2 1.0 ! A.1391 at -3.32e+06 assign (resid 575 and name HA) (resid 595 and name HA) 3.0 1.2 0.3 ! A.1392 at -1.89e+07 assign (resid 575 and name HB1) (resid 595 and name HA) 4.0 2.2 2.0 ! A.1416 at -1.34e+06 assign (resid 575 and name HB2) (resid 595 and name HA) 4.0 2.2 1.0 ! A.1417 at -3.07e+06 assign (resid 575 and name HN) (resid 595 and name HA) 4.0 2.2 2.0 ! A.1435 at 1.68e+06 assign (resid 575 and name HA) (resid 595 and name HN) 4.0 2.2 1.0 ! A.2254 at 3.41e+06 assign (resid 575 and name HA) (resid 596 and name HN) 3.0 1.2 0.5 ! A.1393 at -7.89e+06 assign (resid 575 and name HB1) (resid 596 and name HN) 4.0 2.2 1.0 ! A.1418 at -3.65e+06 assign (resid 575 and name HB2) (resid 596 and name HN) 3.0 1.2 0.5 ! A.1419 at -6.16e+06 assign (resid 575 and name HN) (resid 596 and name HN) 4.0 2.2 1.0 ! A.1436 at 2.40e+06 assign (resid 575 and name HB2) (resid 596 and name HB1) 4.0 2.2 1.0 ! A.2279 at -2.22e+06 ! A576 assign (resid 576 and name HB#) (resid 576 and name HN) 2.5 0.7 0.9 ! A.1448 at -5.14e+07 assign (resid 576 and name HA) (resid 577 and name HA) 4.0 2.2 1.0 ! A.1439 at -2.35e+06 assign (resid 576 and name HA) (resid 577 and name HB2) 4.0 2.2 1.0 ! A.1440 at -2.06e+06 assign (resid 576 and name HA) (resid 577 and name HN) 3.0 1.2 0.5 ! A.1441 at -7.32e+06 assign (resid 576 and name HB#) (resid 577 and name HB2) 3.0 1.2 1.4 ! A.1449 at -1.51e+07 assign (resid 576 and name HB#) (resid 577 and name HN) 3.0 1.2 1.0 ! A.1450 at -1.07e+07 assign (resid 576 and name HN) (resid 577 and name HB2) 4.0 2.2 1.0 ! A.1466 at 2.77e+06 assign (resid 576 and name HN) (resid 577 and name HN) 3.0 1.2 0.5 ! A.1467 at 1.63e+07 assign (resid 576 and name HB#) (resid 578 and name HN) 4.0 2.2 1.5 ! A.1519 at 3.48e+06 assign (resid 576 and name HA) (resid 579 and name HN) 4.0 2.2 1.0 ! A.1442 at -2.43e+06 assign (resid 576 and name HN) (resid 579 and name HN) 4.0 2.2 1.5 ! A.1468 at 2.10e+06 assign (resid 576 and name HA) (resid 579 and name HD1#) 3.0 1.2 0.8 ! A.1547 at -1.06e+07 assign (resid 576 and name HA) (resid 582 and name HD2#) 4.0 2.2 2.5 ! A.1443 at -1.78e+06 assign (resid 576 and name HB#) (resid 582 and name HD2#) 4.0 2.2 2.0 ! A.1451 at -2.73e+06 assign (resid 576 and name HN) (resid 582 and name HB1) 4.0 2.2 1.7 ! A.1469 at 2.06e+06 assign (resid 576 and name HN) (resid 582 and name HD1#) 4.0 2.2 1.5 ! A.1470 at 4.60e+06 assign (resid 576 and name HN) (resid 582 and name HD2#) 3.0 1.2 1.0 ! A.1471 at 1.02e+07 assign (resid 576 and name HB#) (resid 593 and name HB1) 3.0 1.2 0.8 ! A.1452 at -1.64e+07 assign (resid 576 and name HB#) (resid 593 and name HN) 4.0 2.2 1.5 ! A.1453 at -2.11e+06 assign (resid 576 and name HN) (resid 593 and name HB1) 4.0 2.2 2.0 ! A.1472 at 1.74e+06 assign (resid 576 and name HB#) (resid 593 and name HB2) 3.0 1.2 0.8 ! A.2129 at -8.09e+06 assign (resid 576 and name HB#) (resid 593 and name HD1) 3.0 1.2 0.8 ! A.2139 at -1.68e+07 assign (resid 576 and name HA) (resid 594 and name HB1) 4.0 2.2 2.5 ! A.1444 at -2.26e+06 assign (resid 576 and name HA) (resid 594 and name HG2) 4.0 2.2 1.0 ! A.1445 at -2.55e+06 assign (resid 576 and name HB#) (resid 594 and name HD2) 3.0 1.2 0.8 ! A.1454 at -1.30e+07 assign (resid 576 and name HB#) (resid 594 and name HG1) 4.0 2.2 1.5 ! A.1455 at -3.78e+06 assign (resid 576 and name HB#) (resid 594 and name HG2) 3.0 1.2 0.8 ! A.1456 at -2.07e+07 assign (resid 576 and name HN) (resid 594 and name HB1) 4.0 2.2 1.0 ! A.1473 at 3.64e+06 assign (resid 576 and name HN) (resid 594 and name HG1) 3.0 1.2 0.5 ! A.1474 at 7.40e+06 assign (resid 576 and name HN) (resid 594 and name HG2) 3.0 1.2 0.5 ! A.1475 at 8.55e+06 assign (resid 576 and name HN) (resid 594 and name HD1) 4.0 2.2 2.0 ! A.2187 at -1.63e+06 assign (resid 576 and name HB#) (resid 595 and name HA) 4.0 2.2 1.5 ! A.1457 at -4.31e+06 assign (resid 576 and name HN) (resid 595 and name HA) 3.0 1.2 0.5 ! A.1476 at 2.76e+07 assign (resid 576 and name HB#) (resid 596 and name HN) 4.0 2.2 2.5 ! A.1458 at -1.32e+06 assign (resid 576 and name HN) (resid 596 and name HN) 3.0 1.2 1.8 ! A.1477 at 6.08e+06 assign (resid 576 and name HB#) (resid 603 and name HD1#) 4.0 2.2 2.0 ! A.1459 at -3.05e+06 ! F577 assign (resid 577 and name HB1) (resid 577 and name HN) 3.0 1.2 0.5 ! A.1484 at -8.88e+06 assign (resid 577 and name HB2) (resid 577 and name HN) 3.0 1.2 0.5 ! A.1485 at -1.15e+07 assign (resid 577 and name HB1) (resid 578 and name HN) 3.0 1.2 0.5 ! A.1486 at -1.04e+07 assign (resid 577 and name HB2) (resid 578 and name HN) 3.0 1.2 0.5 ! A.1487 at -8.54e+06 assign (resid 577 and name HN) (resid 578 and name HA) 4.0 2.2 1.0 ! A.1497 at 2.28e+06 assign (resid 577 and name HN) (resid 578 and name HN) 2.5 0.7 0.4 ! A.1498 at 6.43e+07 assign (resid 577 and name HB1) (resid 578 and name HB1) 4.0 2.2 2.0 ! A.1504 at -1.30e+06 assign (resid 577 and name HB1) (resid 578 and name HB2) 4.0 2.2 1.0 ! A.1505 at -2.54e+06 assign (resid 577 and name HA) (resid 578 and name HN) 3.0 1.2 0.5 ! A.1520 at 1.33e+07 assign (resid 577 and name HN) (resid 579 and name HN) 3.0 1.2 0.5 ! A.1499 at 1.58e+07 assign (resid 577 and name HN) (resid 579 and name HD1#) 4.0 2.2 1.5 ! A.1548 at -3.66e+06 assign (resid 577 and name HA) (resid 579 and name HN) 4.0 2.2 1.0 ! A.1567 at 2.58e+06 assign (resid 577 and name HN) (resid 582 and name HD2#) 4.0 2.2 2.5 ! A.1500 at 1.38e+06 assign (resid 577 and name HN) (resid 595 and name HA) 3.0 1.2 1.6 ! A.1501 at 6.27e+06 assign (resid 577 and name HB1) (resid 599 and name HB2) 4.0 2.2 1.0 ! A.1488 at -1.96e+06 assign (resid 577 and name HB1) (resid 599 and name HB1) 4.0 2.2 1.0 ! A.2413 at -5.19e+06 assign (resid 577 and name HB1) (resid 603 and name HD2#) 3.0 1.2 0.8 ! A.2618 at -7.37e+06 assign (resid 577 and name HB2) (resid 603 and name HD2#) 3.0 1.2 0.8 ! A.2619 at -1.10e+07 assign (resid 577 and name HN) (resid 603 and name HD2#) 4.0 2.2 2.3 ! A.2620 at -4.18e+06 ! C578 assign (resid 578 and name HB1) (resid 578 and name HN) 3.0 1.2 0.5 ! A.1510 at -8.48e+06 assign (resid 578 and name HB2) (resid 578 and name HN) 3.0 1.2 0.9 ! A.1511 at -9.26e+06 assign (resid 578 and name HB1) (resid 579 and name HD1#) 4.0 2.2 2.5 ! A.1512 at -1.54e+06 assign (resid 578 and name HB1) (resid 579 and name HN) 4.0 2.2 1.0 ! A.1513 at -2.77e+06 assign (resid 578 and name HB2) (resid 579 and name HN) 4.0 2.2 1.0 ! A.1514 at -2.72e+06 assign (resid 578 and name HN) (resid 579 and name HD1#) 3.0 1.2 1.0 ! A.1527 at 1.01e+07 assign (resid 578 and name HN) (resid 579 and name HG) 4.0 2.2 1.0 ! A.1528 at 4.20e+06 assign (resid 578 and name HN) (resid 579 and name HN) 2.5 0.7 0.4 ! A.1529 at 5.24e+07 assign (resid 578 and name HN) (resid 579 and name HA) 4.0 2.2 1.0 ! A.1533 at -5.24e+06 assign (resid 578 and name HA) (resid 579 and name HG) 4.0 2.2 1.0 ! A.1562 at -3.01e+06 assign (resid 578 and name HA) (resid 579 and name HN) 3.0 1.2 0.5 ! A.1569 at 1.44e+07 assign (resid 578 and name HB1) (resid 580 and name HD1) 4.0 2.2 2.0 ! A.1515 at -1.46e+06 assign (resid 578 and name HB1) (resid 580 and name HG2) 4.0 2.2 1.6 ! A.1516 at -2.77e+06 assign (resid 578 and name HB2) (resid 580 and name HN) 4.0 2.2 2.0 ! A.1517 at -1.46e+06 assign (resid 578 and name HN) (resid 580 and name HG2) 4.0 2.2 1.0 ! A.1530 at 3.31e+06 assign (resid 578 and name HN) (resid 580 and name HN) 3.0 1.2 1.1 ! A.1604 at 6.74e+06 assign (resid 578 and name HN) (resid 595 and name HA) 4.0 2.2 1.0 ! A.1532 at 1.87e+06 ! L579 assign (resid 579 and name HA) (resid 579 and name HG) 3.0 1.2 0.3 ! A.1534 at -7.32e+06 assign (resid 579 and name HB1) (resid 579 and name HN) 4.0 2.2 1.0 ! A.1543 at -4.54e+06 assign (resid 579 and name HB2) (resid 579 and name HN) 4.0 2.2 1.0 ! A.1544 at -3.40e+06 assign (resid 579 and name HD1#) (resid 579 and name HA) 2.5 0.7 1.1 ! A.1550 at -6.06e+07 assign (resid 579 and name HD1#) (resid 579 and name HB1) 3.0 1.2 0.8 ! A.1551 at -2.66e+07 assign (resid 579 and name HD1#) (resid 579 and name HB2) 3.0 1.2 0.8 ! A.1552 at -3.38e+07 assign (resid 579 and name HD1#) (resid 579 and name HN) 3.0 1.2 1.0 ! A.1554 at -3.33e+07 assign (resid 579 and name HD2#) (resid 579 and name HA) 3.0 1.2 0.8 ! A.1556 at -1.32e+07 assign (resid 579 and name HD2#) (resid 579 and name HB1) 2.5 0.7 0.7 ! A.1557 at -5.01e+07 assign (resid 579 and name HD2#) (resid 579 and name HB2) 2.5 0.7 0.7 ! A.1558 at -4.49e+07 assign (resid 579 and name HD2#) (resid 579 and name HN) 4.0 2.2 1.5 ! A.1560 at -5.69e+06 assign (resid 579 and name HG) (resid 579 and name HN) 3.0 1.2 0.5 ! A.1565 at -8.25e+06 assign (resid 579 and name HA) (resid 580 and name HN) 3.0 1.2 0.5 ! A.1536 at -1.27e+07 assign (resid 579 and name HB1) (resid 580 and name HN) 4.0 2.2 2.0 ! A.1545 at -1.23e+06 assign (resid 579 and name HB2) (resid 580 and name HN) 4.0 2.2 1.0 ! A.1546 at -2.28e+06 assign (resid 579 and name HD1#) (resid 580 and name HN) 3.0 1.2 1.0 ! A.1606 at 1.00e+07 assign (resid 579 and name HN) (resid 580 and name HN) 3.0 1.2 0.5 ! A.1575 at 1.52e+07 assign (resid 579 and name HG) (resid 580 and name HN) 4.0 2.2 1.0 ! A.1607 at 3.00e+06 ! K580 assign (resid 580 and name HA) (resid 580 and name HD1) 4.0 2.2 1.0 ! A.1578 at -4.84e+07 assign (resid 580 and name HA) (resid 580 and name HG2) 3.0 1.2 0.7 ! A.1579 at -2.69e+07 assign (resid 580 and name HB1) (resid 580 and name HD1) 2.5 0.7 0.6 ! A.1583 at -7.62e+07 assign (resid 580 and name HB1) (resid 580 and name HE1) 3.0 1.2 1.4 ! A.1584 at -8.12e+06 assign (resid 580 and name HB1) (resid 580 and name HN) 3.0 1.2 0.5 ! A.1586 at -2.56e+07 assign (resid 580 and name HD1) (resid 580 and name HN) 4.0 2.2 1.0 ! A.1591 at -4.69e+06 assign (resid 580 and name HE1) (resid 580 and name HG2) 2.5 0.7 0.6 ! A.1594 at -9.29e+07 assign (resid 580 and name HG1) (resid 580 and name HE1) 3.0 1.2 0.3 ! A.1598 at -3.60e+07 assign (resid 580 and name HG2) (resid 580 and name HN) 3.0 1.2 0.5 ! A.1600 at -1.19e+07 assign (resid 580 and name HN) (resid 580 and name HE1) 4.0 2.2 1.0 ! A.1612 at 3.69e+06 assign (resid 580 and name HN) (resid 580 and name HG1) 2.5 0.7 0.9 ! A.1613 at 5.56e+07 assign (resid 580 and name HA) (resid 581 and name HN) 2.5 0.7 1.0 ! A.1581 at -1.18e+08 assign (resid 580 and name HB1) (resid 581 and name HN) 3.0 1.2 0.5 ! A.1587 at -1.04e+07 assign (resid 580 and name HD1) (resid 581 and name HN) 3.0 1.2 0.9 ! A.1654 at 3.64e+07 !! relaxed assign (resid 580 and name HE1) (resid 581 and name HN) 4.0 2.2 1.0 ! A.1655 at 2.80e+06 assign (resid 580 and name HG2) (resid 581 and name HN) 3.0 1.2 0.5 ! A.1656 at 3.31e+07 assign (resid 580 and name HN) (resid 581 and name HN) 3.0 1.2 0.5 ! A.1657 at 9.97e+06 assign (resid 580 and name HD1) (resid 582 and name HD1#) 3.0 1.2 1.4 ! A.1592 at -9.79e+06 assign (resid 580 and name HE1) (resid 582 and name HD1#) 3.0 1.2 0.8 ! A.1595 at -1.89e+07 assign (resid 580 and name HG2) (resid 582 and name HD1#) 4.0 2.2 1.5 ! A.1601 at -3.25e+06 assign (resid 580 and name HN) (resid 582 and name HD1#) 4.0 2.2 1.5 ! A.1615 at 2.47e+06 assign (resid 580 and name HN) (resid 582 and name HD2#) 4.0 2.2 2.4 ! A.1616 at 1.98e+06 assign (resid 580 and name HG1) (resid 582 and name HD1#) 3.0 1.2 1.2 ! A.1705 at -7.89e+06 assign (resid 580 and name HG1) (resid 582 and name HN) 4.0 2.2 1.4 ! A.1746 at 6.06e+06 assign (resid 580 and name HN) (resid 596 and name HN) 4.0 2.2 2.5 ! A.1617 at 1.48e+06 assign (resid 580 and name HD1) (resid 596 and name HB1) 4.0 2.2 1.0 ! A.2280 at -4.25e+06 assign (resid 580 and name HG2) (resid 596 and name HB1) 4.0 2.2 2.0 ! A.2282 at -1.46e+06 assign (resid 580 and name HD1) (resid 596 and name HB2) 4.0 2.2 1.0 ! A.2281 at -4.38e+06 assign (resid 580 and name HD1) (resid 596 and name HN) 4.0 2.2 1.4 ! A.2305 at 3.50e+06 assign (resid 580 and name HG2) (resid 596 and name HN) 4.0 2.2 1.7 ! A.2306 at 3.22e+06 ! Q581 assign (resid 581 and name HB1) (resid 581 and name HN) 3.0 1.2 0.5 ! A.1629 at -3.31e+07 assign (resid 581 and name HB2) (resid 581 and name HN) 3.0 1.2 0.5 ! A.1630 at -2.80e+07 assign (resid 581 and name HG1) (resid 581 and name HA) 3.0 1.2 0.3 ! A.1639 at -1.29e+07 assign (resid 581 and name HG1) (resid 581 and name HE21) 3.0 1.2 0.3 ! A.1643 at -1.80e+07 assign (resid 581 and name HG1) (resid 581 and name HE22) 3.0 1.2 1.1 ! A.1645 at -7.85e+06 assign (resid 581 and name HG1) (resid 581 and name HN) 4.0 2.2 1.1 ! A.1647 at -7.93e+06 assign (resid 581 and name HG2) (resid 581 and name HA) 3.0 1.2 0.3 ! A.1640 at -1.46e+07 assign (resid 581 and name HG2) (resid 581 and name HE21) 3.0 1.2 0.3 ! A.1644 at -1.14e+07 assign (resid 581 and name HG2) (resid 581 and name HE22) 3.0 1.2 0.3 ! A.1646 at -8.69e+06 assign (resid 581 and name HG2) (resid 581 and name HN) 3.0 1.2 1.5 ! A.1648 at -7.78e+06 assign (resid 581 and name HE21) (resid 581 and name HB1) 3.0 1.2 0.3 ! A.1671 at 9.72e+06 assign (resid 581 and name HE21) (resid 581 and name HB2) 3.0 1.2 0.7 ! A.1673 at 9.72e+06 assign (resid 581 and name HE22) (resid 581 and name HB1) 3.0 1.2 0.3 ! A.1672 at 9.00e+06 assign (resid 581 and name HE22) (resid 581 and name HB2) 3.0 1.2 1.8 ! A.1674 at 9.00e+06 assign (resid 581 and name HN) (resid 581 and name HE21) 4.0 2.2 2.0 ! A.1661 at 1.78e+06 assign (resid 581 and name HA) (resid 582 and name HB2) 4.0 2.2 1.0 ! A.1623 at -4.07e+06 assign (resid 581 and name HA) (resid 582 and name HG) 4.0 2.2 2.3 ! A.1624 at -6.60e+06 assign (resid 581 and name HA) (resid 582 and name HN) 2.5 0.7 0.4 ! A.1625 at -6.11e+07 assign (resid 581 and name HB1) (resid 582 and name HN) 3.0 1.2 0.5 ! A.1631 at -5.76e+06 assign (resid 581 and name HB2) (resid 582 and name HN) 4.0 2.2 1.0 ! A.1632 at -3.59e+06 assign (resid 581 and name HG1) (resid 582 and name HN) 3.0 1.2 0.9 ! A.1650 at -9.35e+06 assign (resid 581 and name HG2) (resid 582 and name HB2) 4.0 2.2 1.0 ! A.1649 at -2.58e+06 assign (resid 581 and name HG2) (resid 582 and name HN) 3.0 1.2 0.5 ! A.1651 at -8.44e+06 assign (resid 581 and name HE21) (resid 582 and name HB1) 4.0 2.2 1.0 ! A.1679 at 2.89e+06 assign (resid 581 and name HE21) (resid 582 and name HN) 4.0 2.2 1.0 ! A.1681 at 4.17e+06 assign (resid 581 and name HE22) (resid 582 and name HB1) 4.0 2.2 2.0 ! A.1680 at 1.42e+06 assign (resid 581 and name HE22) (resid 582 and name HN) 4.0 2.2 1.0 ! A.1682 at 2.10e+06 assign (resid 581 and name HN) (resid 582 and name HD2#) 4.0 2.2 2.5 ! A.1664 at 1.39e+06 assign (resid 581 and name HN) (resid 582 and name HG) 4.0 2.2 2.4 ! A.1665 at 1.96e+06 !! relaxed assign (resid 581 and name HA) (resid 582 and name HA) 4.0 2.2 1.0 ! A.1685 at -2.75e+06 assign (resid 581 and name HB1) (resid 582 and name HA) 4.0 2.2 1.0 ! A.1686 at -4.14e+06 assign (resid 581 and name HG2) (resid 582 and name HA) 4.0 2.2 1.0 ! A.1687 at -2.35e+06 assign (resid 581 and name HN) (resid 582 and name HN) 4.0 2.2 1.0 ! A.1750 at 3.52e+06 assign (resid 581 and name HE21) (resid 583 and name HB1) 4.0 2.2 2.0 ! A.1683 at 1.75e+06 assign (resid 581 and name HE22) (resid 583 and name HB1) 4.0 2.2 1.0 ! A.1684 at 2.28e+06 ! L582 assign (resid 582 and name HA) (resid 582 and name HD1#) 2.5 0.7 0.7 ! A.1690 at -4.37e+07 assign (resid 582 and name HA) (resid 582 and name HD2#) 3.0 1.2 0.8 ! A.1691 at -8.42e+06 assign (resid 582 and name HA) (resid 582 and name HG) 3.0 1.2 0.3 ! A.1692 at -8.87e+06 assign (resid 582 and name HB1) (resid 582 and name HD2#) 3.0 1.2 0.8 ! A.1695 at -8.33e+06 assign (resid 582 and name HB1) (resid 582 and name HN) 4.0 2.2 1.0 ! A.1697 at -3.18e+06 assign (resid 582 and name HB2) (resid 582 and name HD2#) 3.0 1.2 0.8 ! A.1696 at -6.57e+06 assign (resid 582 and name HB2) (resid 582 and name HN) 4.0 2.2 1.0 ! A.1698 at -3.26e+06 assign (resid 582 and name HD1#) (resid 582 and name HN) 3.0 1.2 1.0 ! A.1708 at -1.39e+07 assign (resid 582 and name HD2#) (resid 582 and name HN) 3.0 1.2 1.8 ! A.1729 at -8.53e+06 assign (resid 582 and name HG) (resid 582 and name HN) 3.0 1.2 1.5 ! A.1742 at -6.01e+06 assign (resid 582 and name HD1#) (resid 583 and name HA) 4.0 2.2 1.5 ! A.1757 at -4.30e+06 assign (resid 582 and name HG) (resid 583 and name HA) 4.0 2.2 1.0 ! A.1758 at -4.05e+06 assign (resid 582 and name HA) (resid 583 and name HB1) 4.0 2.2 1.0 ! A.1763 at -2.58e+06 assign (resid 582 and name HA) (resid 583 and name HN) 2.5 0.7 0.4 ! A.1773 at 4.71e+07 assign (resid 582 and name HB1) (resid 583 and name HN) 3.0 1.2 0.5 ! A.1774 at 1.94e+07 assign (resid 582 and name HD1#) (resid 583 and name HN) 3.0 1.2 1.0 ! A.1775 at 2.16e+07 assign (resid 582 and name HD2#) (resid 583 and name HN) 3.0 1.2 1.0 ! A.1776 at 6.46e+06 assign (resid 582 and name HG) (resid 583 and name HN) 3.0 1.2 0.5 ! A.1777 at 7.96e+06 assign (resid 582 and name HD1#) (resid 586 and name HN) 4.0 2.2 1.5 ! A.1849 at 2.61e+06 assign (resid 582 and name HD2#) (resid 586 and name HN) 4.0 2.2 2.5 ! A.1850 at 1.08e+06 assign (resid 582 and name HD1#) (resid 587 and name HA) 3.0 1.2 0.8 ! A.1709 at -6.92e+06 assign (resid 582 and name HD1#) (resid 587 and name HB1) 3.0 1.2 0.8 ! A.1710 at -1.06e+07 assign (resid 582 and name HD2#) (resid 587 and name HA) 3.0 1.2 0.8 ! A.1865 at -7.40e+06 assign (resid 582 and name HD2#) (resid 587 and name HB2) 3.0 1.2 0.8 ! A.1731 at -1.42e+07 assign (resid 582 and name HD2#) (resid 587 and name HB1) 3.0 1.2 0.8 ! A.1873 at -6.83e+06 assign (resid 582 and name HD1#) (resid 587 and name HN) 4.0 2.2 1.1 ! A.1881 at 8.16e+06 !! relaxed assign (resid 582 and name HD2#) (resid 587 and name HN) 4.0 2.2 1.5 ! A.1882 at 5.18e+06 assign (resid 582 and name HD1#) (resid 588 and name HN) 3.0 1.2 1.0 ! A.1711 at -6.77e+06 assign (resid 582 and name HD2#) (resid 588 and name HN) 3.0 1.2 1.0 ! A.1959 at 5.87e+06 assign (resid 582 and name HD2#) (resid 594 and name HG1) 3.0 1.2 0.8 ! A.1733 at -6.42e+06 assign (resid 582 and name HD2#) (resid 594 and name HA) 4.0 2.2 1.5 ! A.2158 at -5.47e+06 assign (resid 582 and name HD2#) (resid 594 and name HB1) 4.0 2.2 1.5 ! A.2172 at -5.18e+06 assign (resid 582 and name HD2#) (resid 594 and name HB2) 3.0 1.2 0.8 ! A.2173 at -1.43e+07 assign (resid 582 and name HD2#) (resid 594 and name HD1) 4.0 2.2 2.5 ! A.2188 at -1.33e+06 assign (resid 582 and name HD2#) (resid 594 and name HD2) 4.0 2.2 2.5 ! A.2189 at -1.34e+06 assign (resid 582 and name HD2#) (resid 594 and name HG2) 4.0 2.2 1.5 ! A.2205 at -4.33e+06 assign (resid 582 and name HD1#) (resid 595 and name HA) 4.0 2.2 1.5 ! A.1712 at -3.49e+06 assign (resid 582 and name HD2#) (resid 595 and name HA) 4.0 2.2 1.5 ! A.1734 at -5.01e+06 assign (resid 582 and name HD2#) (resid 595 and name HN) 3.0 1.2 1.0 ! A.2256 at 6.63e+06 assign (resid 582 and name HD1#) (resid 595 and name HN) 4.0 2.2 1.5 ! A.2255 at 3.24e+06 assign (resid 582 and name HD1#) (resid 596 and name HA) 3.0 1.2 0.8 ! A.1713 at -2.43e+07 assign (resid 582 and name HD1#) (resid 596 and name HB1) 3.0 1.2 0.8 ! A.1714 at -1.79e+07 assign (resid 582 and name HD1#) (resid 596 and name HB2) 3.0 1.2 0.8 ! A.1715 at -2.32e+07 assign (resid 582 and name HD1#) (resid 596 and name HN) 3.0 1.2 1.0 ! A.1716 at -9.41e+06 assign (resid 582 and name HD2#) (resid 596 and name HA) 3.0 1.2 0.8 ! A.1736 at -6.25e+06 assign (resid 582 and name HD2#) (resid 596 and name HB1) 4.0 2.2 1.5 ! A.1737 at -1.83e+06 assign (resid 582 and name HD2#) (resid 596 and name HN) 3.0 1.2 1.0 ! A.2308 at 8.46e+06 assign (resid 582 and name HG) (resid 596 and name HB1) 4.0 2.2 2.0 ! A.2287 at -1.33e+06 assign (resid 582 and name HD2#) (resid 596 and name HB2) 4.0 2.2 1.5 ! A.2286 at -2.16e+06 assign (resid 582 and name HG) (resid 596 and name HB2) 4.0 2.2 2.0 ! A.2288 at -1.61e+06 assign (resid 582 and name HD1#) (resid 597 and name HN) 3.0 1.2 1.0 ! A.1717 at -8.49e+06 assign (resid 582 and name HD2#) (resid 597 and name HN) 4.0 2.2 1.5 ! A.2344 at 1.83e+06 ! N583 assign (resid 583 and name HB1) (resid 583 and name HD21) 4.0 2.2 1.0 ! A.1767 at -2.86e+06 assign (resid 583 and name HB1) (resid 583 and name HN) 3.0 1.2 0.5 ! A.1769 at -1.09e+07 assign (resid 583 and name HB2) (resid 583 and name HD21) 4.0 2.2 1.0 ! A.1768 at -4.03e+06 assign (resid 583 and name HB2) (resid 583 and name HN) 3.0 1.2 0.5 ! A.1770 at -9.77e+06 assign (resid 583 and name HD22) (resid 583 and name HB2) 4.0 2.2 1.0 ! A.1782 at 4.01e+06 assign (resid 583 and name HA) (resid 584 and name HN) 3.0 1.2 0.5 ! A.1762 at -1.43e+07 assign (resid 583 and name HB1) (resid 584 and name HN) 4.0 2.2 1.0 ! A.1771 at -2.21e+06 assign (resid 583 and name HB2) (resid 584 and name HN) 4.0 2.2 1.0 ! A.1772 at -2.96e+06 assign (resid 583 and name HA) (resid 584 and name HA) 4.0 2.2 1.0 ! A.1786 at -2.75e+06 assign (resid 583 and name HN) (resid 584 and name HN) 4.0 2.2 2.0 ! A.1810 at 1.43e+06 assign (resid 583 and name HB1) (resid 585 and name HN) 4.0 2.2 1.0 ! A.1827 at 2.63e+06 assign (resid 583 and name HB2) (resid 585 and name HN) 4.0 2.2 2.0 ! A.1828 at 9.60e+05 assign (resid 583 and name HD22) (resid 586 and name HG2#) 4.0 2.2 1.5 ! A.1842 at -2.65e+06 assign (resid 583 and name HN) (resid 586 and name HN) 4.0 2.2 1.0 ! A.1851 at 2.78e+06 ! K584 assign (resid 584 and name HA) (resid 584 and name HD1) 4.0 2.2 1.0 ! A.1788 at -5.15e+06 assign (resid 584 and name HA) (resid 584 and name HG1) 3.0 1.2 0.3 ! A.1789 at -2.72e+07 assign (resid 584 and name HB1) (resid 584 and name HE1) 3.0 1.2 0.3 ! A.1795 at -6.84e+06 assign (resid 584 and name HB1) (resid 584 and name HN) 4.0 2.2 1.0 ! A.1797 at -5.04e+06 assign (resid 584 and name HD1) (resid 584 and name HN) 4.0 2.2 2.0 ! A.1799 at -1.59e+06 assign (resid 584 and name HG1) (resid 584 and name HN) 4.0 2.2 2.0 ! A.1804 at -1.35e+06 assign (resid 584 and name HA) (resid 585 and name HN) 3.0 1.2 0.5 ! A.1790 at -5.91e+06 assign (resid 584 and name HB1) (resid 585 and name HN) 3.0 1.2 0.5 ! A.1829 at 8.90e+06 assign (resid 584 and name HD1) (resid 585 and name HN) 4.0 2.2 1.0 ! A.1800 at -2.41e+06 assign (resid 584 and name HG1) (resid 585 and name HN) 3.0 1.2 0.5 ! A.1830 at 7.76e+06 assign (resid 584 and name HB1) (resid 585 and name HA1) 4.0 2.2 1.0 ! A.1814 at -3.76e+06 assign (resid 584 and name HD1) (resid 585 and name HA1) 4.0 2.2 2.0 ! A.1816 at -1.45e+06 assign (resid 584 and name HG1) (resid 585 and name HA1) 4.0 2.2 1.0 ! A.1817 at -4.92e+06 assign (resid 584 and name HB1) (resid 585 and name HA2) 4.0 2.2 1.0 ! A.1815 at -1.96e+06 assign (resid 584 and name HG1) (resid 585 and name HA2) 4.0 2.2 1.0 ! A.1818 at -3.61e+06 assign (resid 584 and name HA) (resid 586 and name HN) 4.0 2.2 1.0 ! A.1791 at -3.44e+06 assign (resid 584 and name HB1) (resid 586 and name HN) 4.0 2.2 1.0 ! A.1852 at 4.05e+06 assign (resid 584 and name HG1) (resid 586 and name HN) 4.0 2.2 1.0 ! A.1853 at 2.39e+06 assign (resid 584 and name HB1) (resid 587 and name HN) 4.0 2.2 1.6 ! A.1883 at 3.30e+06 assign (resid 584 and name HD1) (resid 587 and name HN) 4.0 2.2 2.0 ! A.1884 at 1.77e+06 assign (resid 584 and name HG1) (resid 587 and name HN) 4.0 2.2 1.0 ! A.1885 at 2.07e+06 ! G585 assign (resid 585 and name HA1) (resid 586 and name HG2#) 3.0 1.2 0.8 ! A.1823 at -6.52e+06 assign (resid 585 and name HA1) (resid 586 and name HN) 3.0 1.2 0.5 ! A.1825 at -7.99e+06 assign (resid 585 and name HA2) (resid 586 and name HG2#) 3.0 1.2 0.8 ! A.1824 at -6.64e+06 assign (resid 585 and name HA2) (resid 586 and name HN) 3.0 1.2 0.5 ! A.1826 at -7.04e+06 assign (resid 585 and name HN) (resid 586 and name HN) 3.0 1.2 0.5 ! A.1833 at 8.12e+06 assign (resid 585 and name HN) (resid 586 and name HG2#) 4.0 2.2 1.5 ! A.1844 at -2.35e+06 assign (resid 585 and name HN) (resid 587 and name HN) 4.0 2.2 1.0 ! A.1834 at 3.74e+06 assign (resid 585 and name HA1) (resid 587 and name HN) 3.0 1.2 1.9 ! A.1886 at 1.83e+07 assign (resid 585 and name HA2) (resid 587 and name HN) 4.0 2.2 1.0 ! A.1887 at 3.73e+06 ! T586 assign (resid 586 and name HA) (resid 586 and name HG2#) 3.0 1.2 0.8 ! A.1836 at -2.77e+07 assign (resid 586 and name HB) (resid 586 and name HN) 4.0 2.2 1.0 ! A.1839 at -4.83e+06 assign (resid 586 and name HG2#) (resid 586 and name HN) 3.0 1.2 1.0 ! A.1847 at -2.19e+07 assign (resid 586 and name HB) (resid 587 and name HN) 3.0 1.2 1.2 ! A.1890 at 6.68e+06 assign (resid 586 and name HG2#) (resid 587 and name HN) 4.0 2.2 1.5 ! A.1848 at -3.91e+06 assign (resid 586 and name HN) (resid 587 and name HA) 4.0 2.2 1.0 ! A.1860 at 3.21e+06 assign (resid 586 and name HN) (resid 587 and name HB1) 3.0 1.2 1.7 ! A.1861 at 9.67e+06 assign (resid 586 and name HN) (resid 587 and name HB2) 4.0 2.2 1.1 ! A.1862 at 7.14e+06 assign (resid 586 and name HN) (resid 587 and name HN) 2.5 0.7 0.4 ! A.1863 at 4.42e+07 assign (resid 586 and name HA) (resid 587 and name HN) 3.0 1.2 0.5 ! A.1889 at 4.23e+07 assign (resid 586 and name HB) (resid 597 and name HG1) 3.0 1.2 1.8 ! A.1841 at -6.77e+06 assign (resid 586 and name HB) (resid 597 and name HB1) 4.0 2.2 1.0 ! A.2329 at -5.27e+06 ! F587 assign (resid 587 and name HB1) (resid 587 and name HN) 4.0 2.2 1.0 ! A.1877 at -4.69e+06 assign (resid 587 and name HB2) (resid 587 and name HN) 3.0 1.2 0.5 ! A.1878 at -6.03e+06 assign (resid 587 and name HA) (resid 588 and name HG1) 4.0 2.2 1.0 ! A.1869 at -3.45e+06 assign (resid 587 and name HA) (resid 588 and name HG2) 4.0 2.2 1.0 ! A.1870 at -4.61e+06 assign (resid 587 and name HA) (resid 588 and name HN) 2.5 0.7 0.4 ! A.1960 at 6.31e+07 assign (resid 587 and name HB1) (resid 588 and name HN) 2.5 0.7 0.9 ! A.1961 at 4.96e+07 assign (resid 587 and name HB2) (resid 588 and name HN) 3.0 1.2 0.5 ! A.1880 at -6.54e+06 assign (resid 587 and name HN) (resid 588 and name HN) 3.0 1.2 1.4 ! A.1895 at 1.07e+07 assign (resid 587 and name HB1) (resid 588 and name HA) 4.0 2.2 1.5 ! A.1897 at -2.76e+06 assign (resid 587 and name HB1) (resid 594 and name HA) 4.0 2.2 1.5 ! A.2159 at -2.89e+06 assign (resid 587 and name HB1) (resid 594 and name HB2) 4.0 2.2 1.4 ! A.2174 at -2.44e+06 assign (resid 587 and name HA) (resid 597 and name HG1) 4.0 2.2 2.0 ! A.1872 at -1.71e+06 !assign (resid 587 and name HN) (resid 597 and name HG1) 4.0 2.2 2.0 ! A.1896 at 1.55e+06 assign (resid 587 and name HA) (resid 597 and name HN) 4.0 2.2 1.0 ! A.2345 at 2.77e+06 ! K588 assign (resid 588 and name HA) (resid 588 and name HE1) 4.0 2.2 1.0 ! A.1900 at -4.07e+06 assign (resid 588 and name HB1) (resid 588 and name HE1) 4.0 2.2 1.0 ! A.1908 at -3.08e+06 assign (resid 588 and name HB1) (resid 588 and name HN) 3.0 1.2 0.5 ! A.1910 at -6.58e+06 assign (resid 588 and name HB2) (resid 588 and name HE1) 4.0 2.2 1.0 ! A.1909 at -2.74e+06 assign (resid 588 and name HB2) (resid 588 and name HN) 4.0 2.2 1.0 ! A.1911 at -3.70e+06 assign (resid 588 and name HD1) (resid 588 and name HA) 3.0 1.2 0.7 ! A.1920 at -1.70e+07 assign (resid 588 and name HD2) (resid 588 and name HA) 3.0 1.2 0.8 ! A.1921 at -1.32e+07 assign (resid 588 and name HE1) (resid 588 and name HN) 4.0 2.2 2.0 ! A.1936 at -1.09e+06 assign (resid 588 and name HE2) (resid 588 and name HA) 4.0 2.2 1.0 ! A.1929 at -4.27e+06 assign (resid 588 and name HE2) (resid 588 and name HB1) 3.0 1.2 0.9 ! A.1931 at -1.56e+07 assign (resid 588 and name HE2) (resid 588 and name HB2) 3.0 1.2 1.3 ! A.1933 at -1.18e+07 assign (resid 588 and name HE2) (resid 588 and name HN) 4.0 2.2 2.0 ! A.1937 at -1.35e+06 assign (resid 588 and name HG1) (resid 588 and name HA) 3.0 1.2 0.7 ! A.1942 at -6.09e+06 assign (resid 588 and name HG1) (resid 588 and name HE1) 3.0 1.2 0.3 ! A.1945 at -6.14e+06 assign (resid 588 and name HG1) (resid 588 and name HN) 4.0 2.2 1.0 ! A.1949 at -5.01e+06 assign (resid 588 and name HG2) (resid 588 and name HA) 4.0 2.2 1.0 ! A.1943 at -4.70e+06 assign (resid 588 and name HG2) (resid 588 and name HE1) 4.0 2.2 1.0 ! A.1946 at -5.46e+06 assign (resid 588 and name HG2) (resid 588 and name HN) 4.0 2.2 1.0 ! A.1950 at -3.14e+06 assign (resid 588 and name HA) (resid 589 and name HB1) 3.0 1.2 0.9 ! A.1902 at -7.76e+06 assign (resid 588 and name HA) (resid 589 and name HN) 2.5 0.7 0.4 ! A.1903 at -7.05e+07 assign (resid 588 and name HB1) (resid 589 and name HN) 3.0 1.2 0.5 ! A.2003 at 2.22e+07 assign (resid 588 and name HB2) (resid 589 and name HN) 2.5 0.7 1.0 ! A.2004 at 4.32e+07 assign (resid 588 and name HD1) (resid 589 and name HN) 4.0 2.2 1.0 ! A.1925 at -3.84e+06 assign (resid 588 and name HD2) (resid 589 and name HN) 4.0 2.2 1.0 ! A.1926 at -2.37e+06 assign (resid 588 and name HE1) (resid 589 and name HN) 4.0 2.2 1.4 ! A.1938 at -3.65e+06 assign (resid 588 and name HE2) (resid 589 and name HN) 4.0 2.2 1.0 ! A.1939 at -2.23e+06 assign (resid 588 and name HG1) (resid 589 and name HN) 4.0 2.2 1.0 ! A.1951 at -2.45e+06 assign (resid 588 and name HG2) (resid 589 and name HN) 4.0 2.2 2.0 ! A.1952 at -1.49e+06 assign (resid 588 and name HN) (resid 589 and name HN) 3.0 1.2 1.3 ! A.1970 at 6.94e+06 assign (resid 588 and name HA) (resid 589 and name HA) 4.0 2.2 1.0 ! A.1977 at -3.69e+06 assign (resid 588 and name HB1) (resid 589 and name HA) 4.0 2.2 1.0 ! A.1978 at -4.35e+06 assign (resid 588 and name HB2) (resid 589 and name HA) 4.0 2.2 1.0 ! A.1979 at -1.91e+06 assign (resid 588 and name HB1) (resid 595 and name HB2) 4.0 2.2 1.0 ! A.1914 at -4.27e+06 assign (resid 588 and name HB1) (resid 595 and name HN) 4.0 2.2 1.0 ! A.1915 at -1.96e+06 assign (resid 588 and name HB2) (resid 595 and name HN) 4.0 2.2 1.0 ! A.2258 at 3.68e+06 assign (resid 588 and name HN) (resid 595 and name HB2) 4.0 2.2 1.0 ! A.1971 at 5.23e+06 assign (resid 588 and name HN) (resid 595 and name HN) 3.0 1.2 0.5 ! A.1972 at 7.33e+06 assign (resid 588 and name HB1) (resid 595 and name HB1) 4.0 2.2 1.0 ! A.2232 at -2.26e+06 assign (resid 588 and name HB2) (resid 595 and name HB1) 4.0 2.2 2.0 ! A.2234 at -1.60e+06 assign (resid 588 and name HN) (resid 595 and name HB1) 4.0 2.2 1.0 ! A.2236 at -2.10e+06 assign (resid 588 and name HB2) (resid 595 and name HB2) 4.0 2.2 1.0 ! A.2235 at -2.39e+06 assign (resid 588 and name HA) (resid 595 and name HN) 4.0 2.2 1.0 ! A.2257 at 3.34e+06 assign (resid 588 and name HN) (resid 596 and name HA) 3.0 1.2 0.5 ! A.2274 at -6.88e+06 assign (resid 588 and name HB1) (resid 597 and name HA) 3.0 1.2 0.8 ! A.2316 at -7.61e+06 assign (resid 588 and name HD1) (resid 597 and name HA) 4.0 2.2 1.0 ! A.1927 at -2.19e+06 assign (resid 588 and name HE1) (resid 597 and name HA) 4.0 2.2 2.0 ! A.1940 at -1.29e+06 assign (resid 588 and name HE2) (resid 597 and name HA) 4.0 2.2 1.0 ! A.1941 at -1.81e+06 assign (resid 588 and name HG1) (resid 597 and name HA) 3.0 1.2 0.3 ! A.1953 at -6.31e+06 assign (resid 588 and name HG2) (resid 597 and name HA) 3.0 1.2 0.3 ! A.1954 at -5.88e+06 assign (resid 588 and name HN) (resid 597 and name HA) 4.0 2.2 1.0 ! A.1974 at 2.85e+06 assign (resid 588 and name HN) (resid 597 and name HB1) 4.0 2.2 1.0 ! A.1975 at 2.02e+06 assign (resid 588 and name HN) (resid 597 and name HN) 4.0 2.2 1.0 ! A.2346 at 2.89e+06 assign (resid 588 and name HG1) (resid 597 and name HB1) 4.0 2.2 1.0 ! A.2330 at -2.58e+06 assign (resid 588 and name HG2) (resid 597 and name HB1) 3.0 1.2 0.8 ! A.2331 at -5.95e+06 assign (resid 588 and name HG1) (resid 597 and name HG1) 4.0 2.2 1.0 ! A.2338 at -4.69e+06 assign (resid 588 and name HD1) (resid 597 and name HE21) 4.0 2.2 1.0 ! A.2355 at 2.30e+06 assign (resid 588 and name HD2) (resid 597 and name HE21) 3.0 1.2 0.3 ! A.2357 at 8.26e+06 assign (resid 588 and name HD1) (resid 597 and name HE22) 4.0 2.2 1.0 ! A.2356 at 4.52e+06 assign (resid 588 and name HB1) (resid 600 and name HB2) 4.0 2.2 1.0 ! A.1918 at -5.02e+06 assign (resid 588 and name HB2) (resid 600 and name HB2) 4.0 2.2 1.0 ! A.1919 at -1.82e+06 assign (resid 588 and name HG1) (resid 600 and name HB2) 4.0 2.2 1.0 ! A.1956 at -3.65e+06 assign (resid 588 and name HG2) (resid 600 and name HB1) 4.0 2.2 1.0 ! A.1955 at -1.83e+06 assign (resid 588 and name HG2) (resid 600 and name HB2) 4.0 2.2 1.0 ! A.1957 at -2.26e+06 assign (resid 588 and name HB1) (resid 600 and name HN) 4.0 2.2 1.0 ! A.2465 at 2.51e+06 assign (resid 588 and name HG1) (resid 600 and name HN) 4.0 2.2 1.0 ! A.2466 at 4.69e+06 assign (resid 588 and name HG1) (resid 601 and name HN) 4.0 2.2 1.0 ! A.2520 at 2.05e+06 ! E589 assign (resid 589 and name HA) (resid 589 and name HG1) 3.0 1.2 0.7 ! A.1981 at -1.76e+07 assign (resid 589 and name HA) (resid 589 and name HG2) 3.0 1.2 0.7 ! A.1982 at -1.76e+07 assign (resid 589 and name HB1) (resid 589 and name HN) 3.0 1.2 0.5 ! A.1991 at -1.55e+07 assign (resid 589 and name HB2) (resid 589 and name HN) 3.0 1.2 1.0 ! A.1992 at -1.52e+07 assign (resid 589 and name HG1) (resid 589 and name HN) 3.0 1.2 0.9 ! A.1995 at -8.94e+06 assign (resid 589 and name HG2) (resid 589 and name HN) 3.0 1.2 0.5 ! A.1996 at -1.08e+07 assign (resid 589 and name HA) (resid 590 and name HA) 4.0 2.2 1.0 ! A.1984 at -2.61e+06 assign (resid 589 and name HA) (resid 590 and name HN) 2.5 0.7 0.4 ! A.1985 at -5.77e+07 assign (resid 589 and name HG1) (resid 590 and name HN) 3.0 1.2 0.5 ! A.1997 at -9.90e+06 assign (resid 589 and name HG2) (resid 590 and name HN) 3.0 1.2 1.1 ! A.1998 at -8.56e+06 assign (resid 589 and name HB2) (resid 590 and name HN) 3.0 1.2 0.5 ! A.2031 at 3.14e+07 assign (resid 589 and name HN) (resid 590 and name HN) 3.0 1.2 1.3 ! A.2032 at 6.35e+06 assign (resid 589 and name HG1) (resid 592 and name HA) 4.0 2.2 1.0 ! A.1999 at -5.68e+06 assign (resid 589 and name HA) (resid 592 and name HN) 4.0 2.2 2.0 ! A.2116 at 1.76e+06 assign (resid 589 and name HB2) (resid 592 and name HN) 3.0 1.2 1.2 ! A.2117 at 1.17e+07 assign (resid 589 and name HG1) (resid 592 and name HN) 3.0 1.2 0.5 ! A.2118 at 1.37e+07 assign (resid 589 and name HA) (resid 593 and name HN) 3.0 1.2 0.9 ! A.2149 at 1.10e+07 assign (resid 589 and name HG1) (resid 593 and name HN) 4.0 2.2 1.0 ! A.2000 at -3.69e+06 assign (resid 589 and name HG2) (resid 593 and name HN) 4.0 2.2 1.0 ! A.2001 at -3.04e+06 assign (resid 589 and name HA) (resid 594 and name HA) 3.0 1.2 0.3 ! A.1987 at -1.52e+07 assign (resid 589 and name HN) (resid 594 and name HA) 4.0 2.2 1.0 ! A.2009 at 2.63e+06 assign (resid 589 and name HB2) (resid 594 and name HA) 3.0 1.2 0.3 ! A.2161 at -6.10e+06 assign (resid 589 and name HA) (resid 595 and name HB2) 4.0 2.2 2.0 ! A.1988 at -1.68e+06 assign (resid 589 and name HA) (resid 595 and name HN) 3.0 1.2 0.5 ! A.2260 at 1.10e+07 assign (resid 589 and name HB2) (resid 595 and name HN) 4.0 2.2 1.0 ! A.2261 at 4.74e+06 assign (resid 589 and name HN) (resid 595 and name HN) 4.0 2.2 1.0 ! A.2262 at 2.45e+06 assign (resid 589 and name HN) (resid 600 and name HB2) 4.0 2.2 1.0 ! A.2010 at 2.38e+06 ! Q590 assign (resid 590 and name HB1) (resid 590 and name HN) 4.0 2.2 1.0 ! A.2020 at -2.47e+06 assign (resid 590 and name HG1) (resid 590 and name HA) 3.0 1.2 0.3 ! A.2022 at -6.46e+06 assign (resid 590 and name HG1) (resid 590 and name HN) 4.0 2.2 1.0 ! A.2028 at -3.36e+06 assign (resid 590 and name HG2) (resid 590 and name HA) 3.0 1.2 0.7 ! A.2023 at -6.75e+06 assign (resid 590 and name HG2) (resid 590 and name HN) 4.0 2.2 1.0 ! A.2029 at -3.15e+06 assign (resid 590 and name HE21) (resid 590 and name HA) 3.0 1.2 0.3 ! A.2044 at 7.31e+06 assign (resid 590 and name HE21) (resid 590 and name HB1) 3.0 1.2 0.3 ! A.2046 at 7.61e+06 assign (resid 590 and name HE21) (resid 590 and name HB2) 3.0 1.2 0.3 ! A.2048 at 6.37e+06 assign (resid 590 and name HE21) (resid 590 and name HG1) 3.0 1.2 0.3 ! A.2050 at 6.11e+06 assign (resid 590 and name HE22) (resid 590 and name HA) 3.0 1.2 0.3 ! A.2045 at 6.08e+06 assign (resid 590 and name HE22) (resid 590 and name HB1) 4.0 2.2 1.0 ! A.2047 at 5.59e+06 assign (resid 590 and name HE22) (resid 590 and name HB2) 4.0 2.2 1.0 ! A.2049 at 4.83e+06 assign (resid 590 and name HE22) (resid 590 and name HG2) 4.0 2.2 1.0 ! A.2051 at 4.51e+06 assign (resid 590 and name HN) (resid 590 and name HB2) 4.0 2.2 1.0 ! A.2035 at 4.58e+06 assign (resid 590 and name HA) (resid 591 and name HN) 3.0 1.2 0.5 ! A.2015 at -1.81e+07 assign (resid 590 and name HB1) (resid 591 and name HB2) 4.0 2.2 1.0 ! A.2021 at -3.02e+06 assign (resid 590 and name HN) (resid 591 and name HB1) 4.0 2.2 1.6 ! A.2038 at 4.37e+06 assign (resid 590 and name HN) (resid 591 and name HB2) 4.0 2.2 1.0 ! A.2039 at 2.34e+06 assign (resid 590 and name HB1) (resid 591 and name HA) 4.0 2.2 1.0 ! A.2056 at -3.11e+06 assign (resid 590 and name HB2) (resid 591 and name HA) 4.0 2.2 2.0 ! A.2057 at -2.01e+06 assign (resid 590 and name HB2) (resid 591 and name HB2) 4.0 2.2 2.0 ! A.2064 at -1.23e+06 assign (resid 590 and name HG1) (resid 591 and name HB2) 4.0 2.2 1.0 ! A.2065 at -3.02e+06 assign (resid 590 and name HG2) (resid 591 and name HB2) 4.0 2.2 1.0 ! A.2066 at -2.61e+06 assign (resid 590 and name HB1) (resid 591 and name HD21) 4.0 2.2 1.0 ! A.2087 at 3.14e+06 assign (resid 590 and name HB2) (resid 591 and name HD21) 4.0 2.2 1.0 ! A.2089 at 2.13e+06 assign (resid 590 and name HG1) (resid 591 and name HD21) 4.0 2.2 2.0 ! A.2091 at 1.62e+06 assign (resid 590 and name HB1) (resid 591 and name HD22) 4.0 2.2 1.0 ! A.2088 at 3.30e+06 assign (resid 590 and name HB2) (resid 591 and name HD22) 4.0 2.2 2.0 ! A.2090 at 1.67e+06 assign (resid 590 and name HG1) (resid 591 and name HD22) 4.0 2.2 2.0 ! A.2092 at 1.40e+06 assign (resid 590 and name HB1) (resid 591 and name HN) 4.0 2.2 1.0 ! A.2080 at 2.95e+06 assign (resid 590 and name HB2) (resid 591 and name HN) 4.0 2.2 1.0 ! A.2081 at 2.10e+06 assign (resid 590 and name HG1) (resid 591 and name HN) 4.0 2.2 1.0 ! A.2082 at 3.86e+06 assign (resid 590 and name HN) (resid 593 and name HA) 4.0 2.2 1.0 ! A.2040 at 1.91e+06 assign (resid 590 and name HN) (resid 593 and name HN) 3.0 1.2 0.5 ! A.2041 at 4.05e+07 assign (resid 590 and name HN) (resid 594 and name HA) 3.0 1.2 1.2 ! A.2042 at 8.30e+06 assign (resid 590 and name HN) (resid 603 and name HD1#) 4.0 2.2 1.5 ! A.2043 at 2.12e+06 assign (resid 590 and name HE21) (resid 604 and name HA) 4.0 2.2 1.0 ! A.2052 at 2.45e+06 assign (resid 590 and name HE21) (resid 604 and name HB1) 4.0 2.2 1.0 ! A.2054 at 2.89e+06 assign (resid 590 and name HE22) (resid 604 and name HA) 4.0 2.2 1.0 ! A.2053 at 2.71e+06 assign (resid 590 and name HE22) (resid 604 and name HB1) 4.0 2.2 1.0 ! A.2055 at 2.72e+06 ! N591 assign (resid 591 and name HB1) (resid 591 and name HD21) 3.0 1.2 0.3 ! A.2071 at -8.67e+06 assign (resid 591 and name HB1) (resid 591 and name HD22) 4.0 2.2 1.0 ! A.2073 at -3.55e+06 assign (resid 591 and name HB2) (resid 591 and name HD21) 3.0 1.2 0.3 ! A.2072 at -1.11e+07 assign (resid 591 and name HB2) (resid 591 and name HD22) 3.0 1.2 0.3 ! A.2074 at -7.27e+06 assign (resid 591 and name HB2) (resid 591 and name HN) 4.0 2.2 1.0 ! A.2075 at -2.32e+06 assign (resid 591 and name HD21) (resid 591 and name HA) 4.0 2.2 1.0 ! A.2093 at 4.18e+06 assign (resid 591 and name HD22) (resid 591 and name HA) 4.0 2.2 1.0 ! A.2094 at 3.80e+06 assign (resid 591 and name HN) (resid 591 and name HB1) 4.0 2.2 1.0 ! A.2084 at 5.11e+06 assign (resid 591 and name HA) (resid 592 and name HN) 3.0 1.2 0.5 ! A.2061 at -3.71e+07 assign (resid 591 and name HB1) (resid 592 and name HN) 3.0 1.2 1.3 ! A.2076 at -6.67e+06 assign (resid 591 and name HB2) (resid 592 and name HN) 4.0 2.2 1.0 ! A.2077 at -5.68e+06 assign (resid 591 and name HN) (resid 592 and name HN) 3.0 1.2 0.5 ! A.2086 at 8.62e+06 assign (resid 591 and name HA) (resid 593 and name HN) 4.0 2.2 1.0 ! A.2062 at -4.06e+06 assign (resid 591 and name HB2) (resid 593 and name HG1) 4.0 2.2 2.0 ! A.2078 at -1.56e+06 assign (resid 591 and name HB2) (resid 593 and name HN) 4.0 2.2 1.0 ! A.2079 at -1.92e+06 ! D592 assign (resid 592 and name HB1) (resid 592 and name HN) 3.0 1.2 1.0 ! A.2109 at -1.32e+07 assign (resid 592 and name HB2) (resid 592 and name HN) 3.0 1.2 0.5 ! A.2110 at -1.16e+07 assign (resid 592 and name HA) (resid 593 and name HN) 3.0 1.2 0.5 ! A.2104 at -2.11e+07 assign (resid 592 and name HB1) (resid 593 and name HB1) 3.0 1.2 1.3 ! A.2111 at -6.16e+06 assign (resid 592 and name HB1) (resid 593 and name HN) 3.0 1.2 1.1 ! A.2114 at -8.31e+06 assign (resid 592 and name HB2) (resid 593 and name HB1) 4.0 2.2 1.6 ! A.2112 at -2.70e+06 assign (resid 592 and name HB2) (resid 593 and name HG2) 4.0 2.2 1.0 ! A.2113 at -2.10e+06 assign (resid 592 and name HB2) (resid 593 and name HN) 4.0 2.2 1.0 ! A.2115 at -4.65e+06 assign (resid 592 and name HN) (resid 593 and name HG2) 4.0 2.2 1.0 ! A.2123 at 3.54e+06 assign (resid 592 and name HN) (resid 593 and name HN) 3.0 1.2 0.5 ! A.2124 at 4.16e+07 assign (resid 592 and name HB1) (resid 593 and name HG1) 4.0 2.2 1.0 ! A.2142 at -4.63e+06 ! K593 assign (resid 593 and name HB1) (resid 593 and name HN) 3.0 1.2 0.5 ! A.2135 at -7.01e+06 assign (resid 593 and name HB2) (resid 593 and name HN) 4.0 2.2 1.0 ! A.2136 at -5.63e+06 assign (resid 593 and name HD1) (resid 593 and name HA) 3.0 1.2 1.4 ! A.2140 at -9.89e+06 assign (resid 593 and name HD1) (resid 593 and name HN) 4.0 2.2 1.0 ! A.2141 at -3.56e+06 assign (resid 593 and name HG1) (resid 593 and name HN) 4.0 2.2 2.0 ! A.2146 at -1.46e+06 assign (resid 593 and name HG2) (resid 593 and name HA) 3.0 1.2 0.3 ! A.2143 at -5.99e+06 assign (resid 593 and name HG2) (resid 593 and name HN) 4.0 2.2 1.0 ! A.2147 at -3.37e+06 assign (resid 593 and name HA) (resid 594 and name HD2) 2.5 0.7 0.2 ! A.2127 at -5.13e+07 assign (resid 593 and name HB1) (resid 594 and name HD1) 4.0 2.2 1.0 ! A.2137 at -4.18e+06 assign (resid 593 and name HB2) (resid 594 and name HD1) 4.0 2.2 1.0 ! A.2138 at -4.63e+06 assign (resid 593 and name HG2) (resid 594 and name HD2) 4.0 2.2 1.0 ! A.2148 at -4.34e+06 assign (resid 593 and name HN) (resid 594 and name HD1) 3.0 1.2 1.5 ! A.2156 at 8.54e+06 assign (resid 593 and name HN) (resid 594 and name HD2) 3.0 1.2 1.8 ! A.2157 at 1.68e+07 assign (resid 593 and name HA) (resid 594 and name HD1) 3.0 1.2 0.3 ! A.2190 at -1.47e+07 assign (resid 593 and name HB1) (resid 594 and name HD2) 3.0 1.2 0.3 ! A.2192 at -6.13e+06 assign (resid 593 and name HA) (resid 594 and name HG1) 4.0 2.2 1.0 ! A.2206 at -2.55e+06 assign (resid 593 and name HA) (resid 594 and name HG2) 3.0 1.2 1.2 ! A.2207 at -1.17e+07 ! P594 assign (resid 594 and name HA) (resid 594 and name HD1) 4.0 2.2 1.0 ! A.2165 at -3.30e+06 assign (resid 594 and name HA) (resid 594 and name HG1) 3.0 1.2 1.0 ! A.2166 at -8.79e+06 assign (resid 594 and name HA) (resid 594 and name HG2) 3.0 1.2 0.9 ! A.2167 at -7.06e+06 assign (resid 594 and name HB1) (resid 594 and name HD1) 4.0 2.2 1.0 ! A.2179 at -5.27e+06 assign (resid 594 and name HB1) (resid 594 and name HD2) 4.0 2.2 1.0 ! A.2180 at -5.27e+06 assign (resid 594 and name HB2) (resid 594 and name HD2) 4.0 2.2 1.0 ! A.2181 at -2.42e+06 assign (resid 594 and name HD1) (resid 594 and name HB2) 3.0 1.2 0.9 ! A.2196 at -1.28e+07 assign (resid 594 and name HA) (resid 595 and name HA) 4.0 2.2 1.0 ! A.2168 at -1.98e+06 assign (resid 594 and name HA) (resid 595 and name HB1) 4.0 2.2 1.5 ! A.2169 at -2.30e+06 assign (resid 594 and name HA) (resid 595 and name HB2) 4.0 2.2 1.0 ! A.2170 at -2.80e+06 assign (resid 594 and name HA) (resid 595 and name HN) 2.5 0.7 0.4 ! A.2263 at 8.39e+07 assign (resid 594 and name HB1) (resid 595 and name HN) 3.0 1.2 0.5 ! A.2264 at 1.03e+07 assign (resid 594 and name HB2) (resid 595 and name HA) 3.0 1.2 0.8 ! A.2224 at -7.79e+06 assign (resid 594 and name HB2) (resid 595 and name HN) 3.0 1.2 0.5 ! A.2265 at 2.21e+07 assign (resid 594 and name HB1) (resid 595 and name HA) 4.0 2.2 1.0 ! A.2223 at -2.01e+06 assign (resid 594 and name HG2) (resid 595 and name HA) 4.0 2.2 1.0 ! A.2225 at -1.81e+06 assign (resid 594 and name HG1) (resid 595 and name HN) 4.0 2.2 1.0 ! A.2266 at 4.46e+06 assign (resid 594 and name HG2) (resid 595 and name HN) 4.0 2.2 1.0 ! A.2267 at 3.15e+06 assign (resid 594 and name HB2) (resid 596 and name HN) 3.0 1.2 1.9 ! A.2309 at 6.15e+06 ! Y595 assign (resid 595 and name HB1) (resid 595 and name HN) 4.0 2.2 1.0 ! A.2244 at -4.05e+06 assign (resid 595 and name HB2) (resid 595 and name HN) 3.0 1.2 0.5 ! A.2245 at -7.85e+06 assign (resid 595 and name HA) (resid 596 and name HA) 4.0 2.2 1.0 ! A.2229 at -2.51e+06 assign (resid 595 and name HA) (resid 596 and name HN) 2.5 0.7 0.4 ! A.2310 at 7.74e+07 assign (resid 595 and name HB1) (resid 596 and name HN) 3.0 1.2 0.5 ! A.2246 at -6.71e+06 assign (resid 595 and name HB2) (resid 596 and name HN) 4.0 2.2 1.0 ! A.2247 at -4.13e+06 assign (resid 595 and name HN) (resid 596 and name HA) 4.0 2.2 2.0 ! A.2271 at 1.58e+06 assign (resid 595 and name HN) (resid 596 and name HN) 4.0 2.2 1.0 ! A.2272 at 3.17e+06 assign (resid 595 and name HA) (resid 599 and name HB1) 4.0 2.2 1.0 ! A.2231 at -4.25e+06 assign (resid 595 and name HB1) (resid 599 and name HB1) 4.0 2.2 1.0 ! A.2248 at -3.45e+06 assign (resid 595 and name HB1) (resid 599 and name HN) 4.0 2.2 1.0 ! A.2249 at -1.88e+06 assign (resid 595 and name HA) (resid 599 and name HN) 4.0 2.2 1.5 ! A.2427 at 2.17e+06 assign (resid 595 and name HB1) (resid 600 and name HA) 4.0 2.2 1.0 ! A.2250 at -2.18e+06 assign (resid 595 and name HB1) (resid 600 and name HN) 4.0 2.2 1.0 ! A.2252 at -4.67e+06 assign (resid 595 and name HB2) (resid 600 and name HA) 4.0 2.2 1.0 ! A.2251 at -2.46e+06 assign (resid 595 and name HB2) (resid 600 and name HN) 4.0 2.2 1.0 ! A.2253 at -1.94e+06 assign (resid 595 and name HA) (resid 600 and name HN) 4.0 2.2 1.0 ! A.2467 at 3.12e+06 ! C596 assign (resid 596 and name HB1) (resid 596 and name HN) 4.0 2.2 1.0 ! A.2293 at -4.58e+06 assign (resid 596 and name HB2) (resid 596 and name HN) 3.0 1.2 0.5 ! A.2294 at -5.94e+06 assign (resid 596 and name HA) (resid 597 and name HB1) 3.0 1.2 1.0 ! A.2277 at -1.01e+07 assign (resid 596 and name HA) (resid 597 and name HN) 2.5 0.7 0.4 ! A.2347 at 6.15e+07 assign (resid 596 and name HB1) (resid 597 and name HB1) 4.0 2.2 1.0 ! A.2295 at -1.90e+06 assign (resid 596 and name HB1) (resid 597 and name HN) 3.0 1.2 0.5 ! A.2297 at -1.14e+07 assign (resid 596 and name HB2) (resid 597 and name HB1) 4.0 2.2 1.0 ! A.2296 at -2.14e+06 assign (resid 596 and name HB2) (resid 597 and name HN) 3.0 1.2 0.5 ! A.2298 at -7.78e+06 assign (resid 596 and name HA) (resid 597 and name HA) 4.0 2.2 1.0 ! A.2319 at -3.17e+06 assign (resid 596 and name HN) (resid 597 and name HN) 4.0 2.2 1.0 ! A.2350 at 4.59e+06 assign (resid 596 and name HB1) (resid 598 and name HN) 3.0 1.2 0.5 ! A.2384 at 1.91e+07 assign (resid 596 and name HB2) (resid 598 and name HN) 4.0 2.2 1.0 ! A.2300 at -3.21e+06 assign (resid 596 and name HN) (resid 598 and name HN) 4.0 2.2 1.0 ! A.2385 at 1.83e+06 assign (resid 596 and name HB1) (resid 599 and name HN) 3.0 1.2 0.5 ! A.2429 at 6.92e+06 assign (resid 596 and name HB2) (resid 599 and name HN) 4.0 2.2 2.0 ! A.2302 at -1.50e+06 assign (resid 596 and name HN) (resid 599 and name HB2) 3.0 1.2 0.5 ! A.2315 at 8.03e+06 assign (resid 596 and name HN) (resid 599 and name HB1) 4.0 2.2 1.0 ! A.2416 at -3.54e+06 assign (resid 596 and name HA) (resid 599 and name HN) 4.0 2.2 1.0 ! A.2428 at 2.14e+06 assign (resid 596 and name HN) (resid 599 and name HN) 4.0 2.2 1.0 ! A.2430 at 4.86e+06 assign (resid 596 and name HN) (resid 600 and name HN) 4.0 2.2 1.0 ! A.2468 at 4.63e+06 ! Q597 assign (resid 597 and name HA) (resid 597 and name HE22) 3.0 1.2 0.3 ! A.2321 at -5.72e+06 assign (resid 597 and name HA) (resid 597 and name HG1) 3.0 1.2 0.3 ! A.2322 at -2.59e+07 assign (resid 597 and name HB1) (resid 597 and name HN) 3.0 1.2 0.5 ! A.2336 at -2.89e+07 assign (resid 597 and name HG1) (resid 597 and name HN) 3.0 1.2 1.0 ! A.2341 at -1.27e+07 assign (resid 597 and name HE21) (resid 597 and name HB1) 4.0 2.2 2.0 ! A.2358 at 1.31e+06 assign (resid 597 and name HE21) (resid 597 and name HG1) 3.0 1.2 0.3 ! A.2360 at 1.57e+07 assign (resid 597 and name HE22) (resid 597 and name HB1) 4.0 2.2 2.0 ! A.2359 at 1.14e+06 assign (resid 597 and name HE22) (resid 597 and name HG1) 3.0 1.2 1.1 ! A.2361 at 1.06e+07 assign (resid 597 and name HA) (resid 598 and name HN) 3.0 1.2 0.5 ! A.2324 at -8.92e+06 assign (resid 597 and name HB1) (resid 598 and name HN) 2.5 0.7 0.4 ! A.2387 at 5.08e+07 assign (resid 597 and name HG1) (resid 598 and name HN) 3.0 1.2 0.5 ! A.2342 at -1.01e+07 assign (resid 597 and name HN) (resid 598 and name HN) 3.0 1.2 0.5 ! A.2354 at 1.89e+07 assign (resid 597 and name HB1) (resid 598 and name HA) 4.0 2.2 1.0 ! A.2364 at -3.86e+06 assign (resid 597 and name HG1) (resid 598 and name HA) 4.0 2.2 1.0 ! A.2365 at -4.82e+06 assign (resid 597 and name HB1) (resid 598 and name HB1) 4.0 2.2 1.0 ! A.2373 at -2.80e+06 assign (resid 597 and name HB1) (resid 599 and name HN) 4.0 2.2 1.0 ! A.2431 at 3.05e+06 assign (resid 597 and name HA) (resid 600 and name HB1) 3.0 1.2 0.3 ! A.2325 at -2.01e+07 assign (resid 597 and name HA) (resid 600 and name HB2) 3.0 1.2 0.3 ! A.2326 at -1.23e+07 assign (resid 597 and name HA) (resid 600 and name HN) 3.0 1.2 0.5 ! A.2469 at 3.17e+07 assign (resid 597 and name HA) (resid 601 and name HB1) 4.0 2.2 1.0 ! A.2327 at -4.02e+06 assign (resid 597 and name HA) (resid 601 and name HN) 4.0 2.2 1.0 ! A.2328 at -4.55e+06 assign (resid 597 and name HE21) (resid 601 and name HB1) 4.0 2.2 1.0 ! A.2362 at 4.58e+06 assign (resid 597 and name HE22) (resid 601 and name HB1) 4.0 2.2 1.0 ! A.2363 at 2.00e+06 assign (resid 597 and name HG1) (resid 601 and name HD2#) 3.0 1.2 0.8 ! A.2503 at -1.60e+07 assign (resid 597 and name HG1) (resid 601 and name HG) 4.0 2.2 2.4 ! A.2514 at -2.73e+06 assign (resid 597 and name HG1) (resid 601 and name HN) 4.0 2.2 1.0 ! A.2521 at 3.16e+06 ! N598 assign (resid 598 and name HA) (resid 598 and name HD21) 3.0 1.2 0.3 ! A.2367 at -6.21e+06 assign (resid 598 and name HB1) (resid 598 and name HD21) 4.0 2.2 1.0 ! A.2376 at -2.54e+06 assign (resid 598 and name HB1) (resid 598 and name HN) 3.0 1.2 0.5 ! A.2378 at -3.35e+07 assign (resid 598 and name HB2) (resid 598 and name HD21) 4.0 2.2 1.0 ! A.2377 at -4.12e+06 assign (resid 598 and name HB2) (resid 598 and name HN) 3.0 1.2 0.5 ! A.2379 at -3.56e+07 assign (resid 598 and name HD22) (resid 598 and name HB1) 4.0 2.2 1.0 ! A.2399 at 3.79e+06 assign (resid 598 and name HD22) (resid 598 and name HB2) 4.0 2.2 1.0 ! A.2401 at 3.23e+06 assign (resid 598 and name HN) (resid 598 and name HD22) 4.0 2.2 1.5 ! A.2393 at 2.99e+06 assign (resid 598 and name HA) (resid 599 and name HN) 3.0 1.2 0.5 ! A.2369 at -1.03e+07 assign (resid 598 and name HB1) (resid 599 and name HN) 3.0 1.2 0.5 ! A.2380 at -1.50e+07 assign (resid 598 and name HB2) (resid 599 and name HN) 3.0 1.2 0.9 ! A.2381 at -1.62e+07 !! relaxed assign (resid 598 and name HN) (resid 599 and name HN) 2.5 0.7 0.4 ! A.2394 at 5.48e+07 assign (resid 598 and name HA) (resid 600 and name HN) 4.0 2.2 1.0 ! A.2470 at 5.24e+06 assign (resid 598 and name HA) (resid 601 and name HB1) 3.0 1.2 0.3 ! A.2370 at -2.23e+07 assign (resid 598 and name HA) (resid 601 and name HB2) 3.0 1.2 0.3 ! A.2371 at -1.03e+07 assign (resid 598 and name HA) (resid 601 and name HD2#) 3.0 1.2 0.8 ! A.2372 at -2.79e+07 assign (resid 598 and name HB1) (resid 601 and name HD2#) 4.0 2.2 1.5 ! A.2382 at -3.73e+06 assign (resid 598 and name HB2) (resid 601 and name HD2#) 4.0 2.2 1.5 ! A.2383 at -5.68e+06 assign (resid 598 and name HN) (resid 601 and name HB1) 4.0 2.2 1.0 ! A.2395 at 3.53e+06 assign (resid 598 and name HN) (resid 601 and name HB2) 4.0 2.2 1.0 ! A.2396 at 3.56e+06 assign (resid 598 and name HN) (resid 601 and name HD2#) 3.0 1.2 1.6 ! A.2397 at 5.96e+06 assign (resid 598 and name HA) (resid 601 and name HD1#) 4.0 2.2 1.5 ! A.2494 at -4.65e+06 assign (resid 598 and name HA) (resid 601 and name HG) 4.0 2.2 1.0 ! A.2515 at -2.13e+06 assign (resid 598 and name HA) (resid 601 and name HN) 3.0 1.2 0.5 ! A.2522 at 1.60e+07 assign (resid 598 and name HA) (resid 602 and name HN) 3.0 1.2 1.3 ! A.2576 at 7.27e+06 ! C599 assign (resid 599 and name HB1) (resid 599 and name HN) 3.0 1.2 0.5 ! A.2422 at -9.94e+06 assign (resid 599 and name HB2) (resid 599 and name HN) 3.0 1.2 0.5 ! A.2423 at -9.66e+06 assign (resid 599 and name HA) (resid 600 and name HN) 4.0 2.2 1.0 ! A.2407 at -4.18e+06 assign (resid 599 and name HB1) (resid 600 and name HN) 4.0 2.2 1.0 ! A.2424 at -5.20e+06 assign (resid 599 and name HB2) (resid 600 and name HN) 3.0 1.2 0.5 ! A.2425 at -5.96e+06 assign (resid 599 and name HN) (resid 600 and name HN) 3.0 1.2 0.5 ! A.2437 at 2.78e+07 assign (resid 599 and name HN) (resid 600 and name HA) 4.0 2.2 2.0 ! A.2447 at -1.43e+06 assign (resid 599 and name HN) (resid 601 and name HB1) 4.0 2.2 1.0 ! A.2438 at 2.84e+06 assign (resid 599 and name HN) (resid 601 and name HN) 4.0 2.2 1.0 ! A.2439 at 4.62e+06 assign (resid 599 and name HN) (resid 601 and name HD2#) 4.0 2.2 1.5 ! A.2505 at -2.75e+06 assign (resid 599 and name HA) (resid 602 and name HB1) 3.0 1.2 0.3 ! A.2408 at -1.70e+07 assign (resid 599 and name HA) (resid 602 and name HB2) 3.0 1.2 0.3 ! A.2409 at -2.03e+07 assign (resid 599 and name HA) (resid 602 and name HG2) 3.0 1.2 0.7 ! A.2410 at -6.71e+06 assign (resid 599 and name HA) (resid 602 and name HN) 3.0 1.2 0.5 ! A.2411 at -1.36e+07 assign (resid 599 and name HB1) (resid 602 and name HB2) 4.0 2.2 1.0 ! A.2426 at -2.14e+06 assign (resid 599 and name HN) (resid 602 and name HB1) 4.0 2.2 1.4 ! A.2440 at 3.55e+06 assign (resid 599 and name HN) (resid 602 and name HB2) 4.0 2.2 1.0 ! A.2441 at 3.96e+06 assign (resid 599 and name HN) (resid 602 and name HN) 4.0 2.2 1.0 ! A.2442 at 5.08e+06 assign (resid 599 and name HA) (resid 603 and name HG) 3.0 1.2 0.3 ! A.2412 at -5.81e+06 assign (resid 599 and name HN) (resid 603 and name HD2#) 4.0 2.2 1.5 ! A.2443 at 4.36e+06 assign (resid 599 and name HN) (resid 603 and name HG) 4.0 2.2 1.0 ! A.2444 at 3.24e+06 assign (resid 599 and name HA) (resid 603 and name HD2#) 3.0 1.2 0.8 ! A.2621 at -6.94e+06 assign (resid 599 and name HB1) (resid 603 and name HD2#) 4.0 2.2 1.5 ! A.2622 at -3.24e+06 assign (resid 599 and name HB2) (resid 603 and name HD2#) 3.0 1.2 1.2 ! A.2623 at -9.66e+06 ! F600 assign (resid 600 and name HB1) (resid 600 and name HN) 3.0 1.2 0.5 ! A.2460 at -7.30e+06 assign (resid 600 and name HB2) (resid 600 and name HN) 3.0 1.2 0.5 ! A.2461 at -9.72e+06 assign (resid 600 and name HA) (resid 601 and name HB1) 4.0 2.2 1.5 ! A.2451 at -2.09e+06 assign (resid 600 and name HB1) (resid 601 and name HB1) 4.0 2.2 1.0 ! A.2462 at -3.15e+06 assign (resid 600 and name HB1) (resid 601 and name HN) 3.0 1.2 0.5 ! A.2463 at -8.12e+06 assign (resid 600 and name HB2) (resid 601 and name HN) 3.0 1.2 0.5 ! A.2464 at -6.77e+06 assign (resid 600 and name HN) (resid 601 and name HB1) 3.0 1.2 1.6 ! A.2475 at 1.10e+07 assign (resid 600 and name HN) (resid 601 and name HN) 3.0 1.2 0.5 ! A.2476 at 2.96e+07 assign (resid 600 and name HA) (resid 601 and name HN) 3.0 1.2 0.5 ! A.2524 at 1.86e+07 assign (resid 600 and name HN) (resid 602 and name HN) 3.0 1.2 0.5 ! A.2578 at 6.42e+06 assign (resid 600 and name HA) (resid 603 and name HB1) 3.0 1.2 1.0 ! A.2452 at -6.30e+06 assign (resid 600 and name HA) (resid 603 and name HB2) 4.0 2.2 1.0 ! A.2453 at -4.47e+06 assign (resid 600 and name HA) (resid 603 and name HD1#) 3.0 1.2 0.8 ! A.2454 at -6.73e+06 assign (resid 600 and name HA) (resid 603 and name HN) 3.0 1.2 0.5 ! A.2455 at -9.05e+06 assign (resid 600 and name HN) (resid 603 and name HD1#) 4.0 2.2 1.5 ! A.2477 at 4.23e+06 assign (resid 600 and name HN) (resid 603 and name HD2#) 4.0 2.2 1.5 ! A.2624 at -1.82e+06 assign (resid 600 and name HN) (resid 603 and name HN) 4.0 2.2 2.0 ! A.2634 at 1.62e+06 assign (resid 600 and name HA) (resid 604 and name HA) 4.0 2.2 1.0 ! A.2456 at -2.49e+06 assign (resid 600 and name HA) (resid 604 and name HB2) 4.0 2.2 1.0 ! A.2457 at -3.68e+06 assign (resid 600 and name HA) (resid 604 and name HN) 3.0 1.2 0.5 ! A.2652 at 1.47e+07 ! L601 assign (resid 601 and name HA) (resid 601 and name HG) 3.0 1.2 0.3 ! A.2480 at -3.68e+07 assign (resid 601 and name HB1) (resid 601 and name HN) 3.0 1.2 0.5 ! A.2490 at -2.96e+07 assign (resid 601 and name HB2) (resid 601 and name HN) 3.0 1.2 0.5 ! A.2491 at -1.89e+07 assign (resid 601 and name HD1#) (resid 601 and name HA) 2.5 0.7 0.7 ! A.2495 at -5.50e+07 assign (resid 601 and name HD1#) (resid 601 and name HB1) 2.5 0.7 0.7 ! A.2496 at -8.66e+07 assign (resid 601 and name HD1#) (resid 601 and name HB2) 3.0 1.2 0.8 ! A.2497 at -2.31e+07 assign (resid 601 and name HD1#) (resid 601 and name HN) 3.0 1.2 1.0 ! A.2499 at -1.25e+07 assign (resid 601 and name HD2#) (resid 601 and name HA) 3.0 1.2 0.8 ! A.2506 at -1.35e+07 assign (resid 601 and name HD2#) (resid 601 and name HB1) 2.5 0.7 0.7 ! A.2507 at -9.59e+07 assign (resid 601 and name HD2#) (resid 601 and name HB2) 3.0 1.2 0.8 ! A.2508 at -2.53e+07 assign (resid 601 and name HD2#) (resid 601 and name HN) 3.0 1.2 1.0 ! A.2510 at -1.33e+07 assign (resid 601 and name HG) (resid 601 and name HN) 3.0 1.2 1.1 ! A.2518 at -2.11e+07 assign (resid 601 and name HA) (resid 602 and name HN) 3.0 1.2 0.5 ! A.2482 at -1.01e+07 assign (resid 601 and name HB1) (resid 602 and name HN) 3.0 1.2 0.5 ! A.2492 at -1.46e+07 assign (resid 601 and name HB2) (resid 602 and name HN) 3.0 1.2 1.0 ! A.2493 at -5.88e+06 assign (resid 601 and name HD1#) (resid 602 and name HN) 4.0 2.2 1.5 ! A.2500 at -3.56e+06 assign (resid 601 and name HD2#) (resid 602 and name HN) 3.0 1.2 1.0 ! A.2511 at -6.58e+06 assign (resid 601 and name HG) (resid 602 and name HN) 4.0 2.2 1.0 ! A.2519 at -4.80e+06 assign (resid 601 and name HN) (resid 602 and name HN) 2.5 0.7 0.4 ! A.2580 at 8.96e+07 assign (resid 601 and name HA) (resid 604 and name HN) 4.0 2.2 1.0 ! A.2653 at 5.21e+06 assign (resid 601 and name HA) (resid 605 and name HB1) 3.0 1.2 0.3 ! A.2483 at -2.95e+07 assign (resid 601 and name HD1#) (resid 605 and name HB1) 3.0 1.2 0.8 ! A.2501 at -1.14e+07 assign (resid 601 and name HD1#) (resid 605 and name HB2) 3.0 1.2 0.8 ! A.2502 at -7.69e+06 assign (resid 601 and name HD2#) (resid 605 and name HB1) 4.0 2.2 1.5 ! A.2512 at -4.81e+06 assign (resid 601 and name HD2#) (resid 605 and name HB2) 4.0 2.2 1.5 ! A.2513 at -3.93e+06 assign (resid 601 and name HA) (resid 605 and name HB2) 3.0 1.2 0.3 ! A.2671 at -8.31e+06 assign (resid 601 and name HA) (resid 605 and name HN) 3.0 1.2 0.5 ! A.2676 at 1.30e+07 assign (resid 601 and name HB2) (resid 605 and name HN) 4.0 2.2 1.6 ! A.2677 at 5.55e+06 assign (resid 601 and name HG) (resid 605 and name HN) 4.0 2.2 1.0 ! A.2678 at 3.16e+06 ! K602 assign (resid 602 and name HA) (resid 602 and name HE1) 4.0 2.2 1.0 ! A.2534 at -2.46e+06 assign (resid 602 and name HA) (resid 602 and name HG2) 3.0 1.2 0.3 ! A.2535 at -1.90e+07 assign (resid 602 and name HB1) (resid 602 and name HE1) 4.0 2.2 1.0 ! A.2541 at -1.81e+06 assign (resid 602 and name HB1) (resid 602 and name HN) 3.0 1.2 0.5 ! A.2544 at -3.08e+07 assign (resid 602 and name HB2) (resid 602 and name HE1) 4.0 2.2 2.0 ! A.2542 at -1.78e+06 assign (resid 602 and name HB2) (resid 602 and name HN) 3.0 1.2 0.5 ! A.2545 at -2.56e+07 assign (resid 602 and name HD1) (resid 602 and name HA) 3.0 1.2 0.3 ! A.2552 at -1.08e+07 assign (resid 602 and name HD1) (resid 602 and name HN) 3.0 1.2 0.5 ! A.2555 at -5.80e+06 assign (resid 602 and name HE1) (resid 602 and name HG2) 3.0 1.2 0.3 ! A.2559 at -1.04e+07 assign (resid 602 and name HE1) (resid 602 and name HN) 4.0 2.2 1.0 ! A.2560 at -2.41e+06 assign (resid 602 and name HE2) (resid 602 and name HN) 4.0 2.2 1.0 ! A.2561 at -3.63e+06 assign (resid 602 and name HG1) (resid 602 and name HA) 3.0 1.2 0.3 ! A.2564 at -1.25e+07 assign (resid 602 and name HG1) (resid 602 and name HE1) 4.0 2.2 1.0 ! A.2568 at -5.37e+06 assign (resid 602 and name HG1) (resid 602 and name HN) 3.0 1.2 1.4 ! A.2570 at -9.29e+06 assign (resid 602 and name HG2) (resid 602 and name HE2) 3.0 1.2 0.3 ! A.2569 at -6.22e+06 assign (resid 602 and name HG2) (resid 602 and name HN) 3.0 1.2 1.4 ! A.2571 at -8.61e+06 assign (resid 602 and name HA) (resid 603 and name HD2#) 4.0 2.2 1.5 ! A.2537 at -2.69e+06 assign (resid 602 and name HA) (resid 603 and name HN) 3.0 1.2 0.5 ! A.2538 at -1.34e+07 assign (resid 602 and name HB1) (resid 603 and name HD2#) 4.0 2.2 1.5 ! A.2546 at -5.66e+06 assign (resid 602 and name HB1) (resid 603 and name HG) 3.0 1.2 0.3 ! A.2548 at -6.25e+06 assign (resid 602 and name HB1) (resid 603 and name HN) 3.0 1.2 0.5 ! A.2550 at -8.02e+06 assign (resid 602 and name HB2) (resid 603 and name HD2#) 4.0 2.2 1.5 ! A.2547 at -5.55e+06 assign (resid 602 and name HB2) (resid 603 and name HG) 3.0 1.2 0.8 ! A.2549 at -7.07e+06 assign (resid 602 and name HB2) (resid 603 and name HN) 3.0 1.2 0.5 ! A.2551 at -1.13e+07 assign (resid 602 and name HD1) (resid 603 and name HD2#) 4.0 2.2 1.5 ! A.2556 at -5.07e+06 assign (resid 602 and name HE1) (resid 603 and name HD2#) 4.0 2.2 1.5 ! A.2562 at -4.87e+06 assign (resid 602 and name HE2) (resid 603 and name HD2#) 4.0 2.2 1.5 ! A.2563 at -4.46e+06 assign (resid 602 and name HG1) (resid 603 and name HD2#) 3.0 1.2 0.8 ! A.2572 at -6.55e+06 assign (resid 602 and name HG1) (resid 603 and name HN) 4.0 2.2 1.0 ! A.2574 at -2.75e+06 assign (resid 602 and name HG2) (resid 603 and name HD2#) 3.0 1.2 0.8 ! A.2573 at -7.13e+06 assign (resid 602 and name HG2) (resid 603 and name HN) 4.0 2.2 1.0 ! A.2575 at -3.00e+06 assign (resid 602 and name HN) (resid 603 and name HB1) 4.0 2.2 1.7 ! A.2586 at 4.96e+06 assign (resid 602 and name HN) (resid 603 and name HB2) 4.0 2.2 1.0 ! A.2587 at 3.75e+06 assign (resid 602 and name HN) (resid 603 and name HD1#) 3.0 1.2 1.6 ! A.2588 at 7.84e+06 assign (resid 602 and name HN) (resid 603 and name HD2#) 3.0 1.2 1.0 ! A.2589 at 7.84e+06 assign (resid 602 and name HN) (resid 603 and name HG) 3.0 1.2 0.5 ! A.2590 at 2.70e+07 assign (resid 602 and name HN) (resid 603 and name HN) 2.5 0.7 0.4 ! A.2591 at 8.96e+07 assign (resid 602 and name HB1) (resid 603 and name HA) 4.0 2.2 1.0 ! A.2592 at -2.00e+06 assign (resid 602 and name HB2) (resid 603 and name HA) 4.0 2.2 1.4 ! A.2593 at -3.25e+06 assign (resid 602 and name HG1) (resid 603 and name HA) 4.0 2.2 1.0 ! A.2594 at -2.17e+06 assign (resid 602 and name HA) (resid 605 and name HN) 4.0 2.2 1.0 ! A.2679 at 5.68e+06 ! L603 assign (resid 603 and name HA) (resid 603 and name HG) 3.0 1.2 0.3 ! A.2597 at -2.36e+07 assign (resid 603 and name HB1) (resid 603 and name HN) 3.0 1.2 0.5 ! A.2609 at -1.18e+07 assign (resid 603 and name HB2) (resid 603 and name HN) 3.0 1.2 0.5 ! A.2610 at -1.06e+07 assign (resid 603 and name HD1#) (resid 603 and name HA) 3.0 1.2 0.8 ! A.2614 at -3.95e+07 assign (resid 603 and name HD1#) (resid 603 and name HB2) 3.0 1.2 0.8 ! A.2615 at -2.76e+07 assign (resid 603 and name HD1#) (resid 603 and name HN) 3.0 1.2 1.0 ! A.2617 at -1.19e+07 assign (resid 603 and name HD2#) (resid 603 and name HA) 4.0 2.2 1.5 ! A.2625 at -4.84e+06 assign (resid 603 and name HD2#) (resid 603 and name HB2) 3.0 1.2 0.8 ! A.2626 at -2.03e+07 assign (resid 603 and name HD2#) (resid 603 and name HN) 3.0 1.2 1.0 ! A.2628 at -5.97e+06 assign (resid 603 and name HG) (resid 603 and name HN) 3.0 1.2 0.5 ! A.2632 at -1.40e+07 assign (resid 603 and name HA) (resid 604 and name HN) 3.0 1.2 0.5 ! A.2599 at -8.15e+06 assign (resid 603 and name HB1) (resid 604 and name HN) 3.0 1.2 0.5 ! A.2655 at 3.27e+07 assign (resid 603 and name HB2) (resid 604 and name HN) 3.0 1.2 0.5 ! A.2656 at 9.30e+06 assign (resid 603 and name HG) (resid 604 and name HN) 3.0 1.2 0.5 ! A.2659 at 1.11e+07 assign (resid 603 and name HN) (resid 604 and name HA) 4.0 2.2 1.0 ! A.2641 at 2.81e+06 assign (resid 603 and name HN) (resid 604 and name HB2) 4.0 2.2 2.0 ! A.2644 at -1.74e+06 assign (resid 603 and name HD1#) (resid 604 and name HN) 3.0 1.2 1.0 ! A.2657 at 1.46e+07 assign (resid 603 and name HD2#) (resid 604 and name HN) 3.0 1.2 1.0 ! A.2658 at 1.46e+07 assign (resid 603 and name HN) (resid 604 and name HN) 2.5 0.7 0.4 ! A.2660 at 6.77e+07 assign (resid 603 and name HA) (resid 605 and name HN) 3.0 1.2 1.1 ! A.2680 at 5.73e+06 assign (resid 603 and name HN) (resid 605 and name HN) 3.0 1.2 0.5 ! A.2642 at 7.64e+06 assign (resid 603 and name HB1) (resid 605 and name HN) 4.0 2.2 1.3 ! A.2681 at 6.82e+06 assign (resid 603 and name HB2) (resid 605 and name HN) 4.0 2.2 1.0 ! A.2682 at 2.37e+06 assign (resid 603 and name HG) (resid 605 and name HN) 3.0 1.2 1.9 ! A.2683 at 1.17e+07 ! F604 assign (resid 604 and name HB1) (resid 604 and name HN) 3.0 1.2 0.5 ! A.2649 at -7.34e+06 assign (resid 604 and name HB2) (resid 604 and name HN) 3.0 1.2 0.5 ! A.2650 at -8.12e+06 assign (resid 604 and name HB2) (resid 605 and name HN) 3.0 1.2 0.9 ! A.2686 at 1.72e+07 !! relaxed assign (resid 604 and name HN) (resid 605 and name HA) 4.0 2.2 1.0 ! A.2664 at 4.16e+06 assign (resid 604 and name HN) (resid 605 and name HB1) 4.0 2.2 1.0 ! A.2665 at 4.20e+06 assign (resid 604 and name HN) (resid 605 and name HN) 2.5 0.7 0.4 ! A.2666 at 8.49e+07 assign (resid 604 and name HA) (resid 605 and name HN) 3.0 1.2 0.5 ! A.2685 at 2.61e+07 ! C605 assign (resid 605 and name HB1) (resid 605 and name HN) 3.0 1.2 0.5 ! A.2674 at -1.01e+07 assign (resid 605 and name HB2) (resid 605 and name HN) 3.0 1.2 0.5 ! A.2675 at -1.20e+07 !@ END_XPLR_NOE_FILE
Contact the webmaster for help, if required. Wednesday, May 15, 2024 4:03:55 PM GMT (wattos1)