# cost function cost = # ( 15 * wet6.5(6.5, /log(length)) + 5 * near_backbone(9.65) + 5 * way_back(8.9) + 15 * dry5(5) + 20 * dry6.5(6.5) + 15 * dry8(8) + 5 * dry12(12) + 2 * phobic_fit + 5 * sidechain + 5 * n_ca_c + 10 * bad_peptide + 5 * bystroff + 20 * soft_clashes + 2 * backbone_clashes + 50 * break + 2 * pred_alpha2k + 2 * pred_alpha04 + 2 * pred_alpha06 + 15 * constraints + 5 * hbond_geom + 10 * hbond_geom_backbone + 50 * hbond_geom_beta + 100 * hbond_geom_beta_pair + 1 * missing_atoms + 0.5 * maybe_metal + 1 * maybe_ssbond ) name length wet6.5 near_backbone way_back dry5 dry6.5 dry8 dry12 phobic_fit sidechain n_ca_c bad_peptide bystroff soft_clashes backbone_clashes break pred_alpha2k pred_alpha04 pred_alpha06 constraints hbond_geom hbond_geom_backbone hbond_geom_beta hbond_geom_beta_pair missing_atoms maybe_metal maybe_ssbond cost 10S 5N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N T0351.try2-opt2.pdb.gz 117 0.5426 1.6393 1.6479 2.9093 2.9035 3.5964 3.9188 3.4475 -6.2696 0.1858 0.1066 -0.1546 0.0707 0.0171 0.0247 0.1185 -0.0734 -0.2278 -0.5624 -0.6919 -0.5876 -0.0535 -0.0446 0.0000 0.0000 0.0000 154.0095 T0351.try11-opt2.pdb.gz 117 0.4776 1.4816 1.6166 2.8871 2.9113 3.5508 3.8366 2.2354 -6.2988 0.1208 0.1112 -0.0649 0.1402 0.0513 0.0326 -0.0358 -0.1080 -0.1748 -0.3788 -0.7079 -0.5855 -0.0483 -0.0275 0.0000 0.0000 0.0000 154.6531 T0351.try5-opt2.pdb.gz 117 0.4627 1.4584 1.5361 2.8453 2.8994 3.4944 3.8067 4.8307 -6.4383 0.1679 0.0835 -0.1031 0.1528 0.0171 0.0220 0.0282 -0.0574 -0.1688 -0.4579 -0.8088 -0.6531 -0.0325 -0.0111 0.0000 0.0000 0.0000 156.2778 T0351.try10-opt2.pdb.gz 117 0.5239 1.5586 1.6204 2.9331 2.9757 3.6272 3.8977 3.4546 -6.2752 0.1051 0.1004 -0.1308 0.1243 0.0427 0.0209 0.0019 -0.1663 -0.2789 -0.5695 -0.6927 -0.5795 -0.0504 -0.0271 0.0000 0.0000 0.0000 157.2686 T0351.try11-opt2.repack-nonPC.pdb.gz 117 0.5226 1.4816 1.6166 2.9162 2.9490 3.5681 3.8700 2.1359 -6.1241 0.1208 0.1112 -0.0649 0.1417 0.0513 0.0326 -0.0358 -0.1080 -0.1748 -0.3815 -0.7152 -0.5855 -0.0483 -0.0275 0.0000 0.0000 0.0000 157.5754 T0351.try9-opt2.pdb.gz 117 0.5844 1.6197 1.6855 2.7790 2.9015 3.5348 3.8558 2.3754 -6.4665 0.1686 0.1014 -0.1873 0.1165 0.0427 0.0395 -0.0962 -0.2107 -0.3060 -0.3749 -0.7600 -0.6372 -0.0041 0.0000 0.0000 0.0000 0.0000 157.8127 T0351.try4-opt2.pdb.gz 117 0.5057 1.5079 1.5773 3.0083 2.9078 3.4997 3.8211 1.4230 -6.1910 0.2837 0.1136 -0.1877 0.1519 0.0342 0.0106 0.2265 0.1470 0.0574 -0.1254 -0.6419 -0.5294 -0.0675 -0.0422 0.0000 0.0000 0.0000 157.9236 T0351.try8-opt2.pdb.gz 117 0.5062 1.4964 1.5736 2.9395 2.9555 3.4626 3.7498 1.8914 -6.1684 0.1153 0.0747 -0.2251 0.1229 0.0342 0.0134 0.1537 0.0856 -0.1526 -0.4027 -0.6165 -0.5232 -0.0054 0.0000 0.0000 0.0000 0.0000 158.7173 T0351.try2-opt1.pdb.gz 117 0.5598 1.6501 1.6527 2.9960 2.9672 3.6131 3.9308 3.4726 -6.2129 0.1790 0.1088 -0.1546 0.1155 0.0256 0.0271 0.1204 -0.0717 -0.2257 -0.5511 -0.6425 -0.5605 -0.0534 -0.0431 0.0000 0.0000 0.0000 159.4340 T0351.try2-opt2.repack-nonPC.pdb.gz 117 0.5532 1.6393 1.6479 3.0073 3.0284 3.6301 3.9137 3.3479 -5.9288 0.1858 0.1066 -0.1546 0.0704 0.0171 0.0247 0.1185 -0.0734 -0.2278 -0.5581 -0.6914 -0.5876 -0.0535 -0.0446 0.0000 0.0000 0.0000 160.1826 T0351.try13-opt2.pdb.gz 117 0.4672 1.5453 1.5890 2.9902 2.9650 3.5475 3.8064 2.4525 -6.2661 0.1971 0.1274 -0.1133 0.1837 0.1111 0.0500 0.1877 0.1395 -0.0525 -0.4518 -0.6608 -0.5657 -0.0446 -0.0277 0.0000 0.0000 0.0000 160.5550 T0351.try2-opt1-scwrl.pdb.gz 117 0.5647 1.6501 1.6527 3.0777 2.9916 3.6299 3.9337 3.4953 -6.3636 0.1790 0.1088 -0.1546 0.1107 0.0256 0.0271 0.1204 -0.0717 -0.2257 -0.5472 -0.6341 -0.5605 -0.0534 -0.0431 0.0000 0.0000 0.0000 160.7833 T0351.try4-opt2.repack-nonPC.pdb.gz 117 0.5062 1.5079 1.5773 3.0241 2.9106 3.5434 3.8546 1.4573 -5.7134 0.2837 0.1136 -0.1877 0.1175 0.0342 0.0106 0.2265 0.1470 0.0574 -0.1201 -0.6568 -0.5294 -0.0675 -0.0422 0.0000 0.0000 0.0000 160.8191 T0351.try10-opt2.repack-nonPC.pdb.gz 117 0.5199 1.5586 1.6204 3.0083 3.0118 3.6777 3.9118 3.3976 -6.0299 0.1051 0.1004 -0.1308 0.1273 0.0427 0.0209 0.0019 -0.1663 -0.2789 -0.5693 -0.6855 -0.5795 -0.0504 -0.0271 0.0000 0.0000 0.0000 161.1009 T0351.try5-opt2.repack-nonPC.pdb.gz 117 0.4606 1.4584 1.5361 2.9427 2.9844 3.5392 3.8204 4.8296 -5.9857 0.1679 0.0835 -0.1031 0.0990 0.0171 0.0220 0.0282 -0.0574 -0.1688 -0.4426 -0.7927 -0.6531 -0.0325 -0.0111 0.0000 0.0000 0.0000 161.6418 T0351.try3-opt2.pdb.gz 117 0.4845 1.5159 1.5665 2.8820 2.9025 3.6056 3.9666 4.5501 -5.8056 0.1832 0.0856 -0.0943 0.0893 0.0342 0.0369 0.1042 -0.0261 -0.1288 -0.4261 -0.6981 -0.5870 -0.0498 -0.0270 0.0000 0.0000 0.0000 161.9095 T0351.try9-opt2.repack-nonPC.pdb.gz 117 0.6021 1.6197 1.6855 2.9297 2.9405 3.5470 3.8648 2.2797 -6.2382 0.1686 0.1014 -0.1873 0.0898 0.0427 0.0395 -0.0962 -0.2107 -0.3060 -0.3677 -0.7503 -0.6372 -0.0041 0.0000 0.0000 0.0000 0.0000 161.9203 T0351.try2-opt2.gromacs0.pdb.gz 117 0.5390 1.6524 1.6425 2.9418 2.9295 3.6037 3.9214 3.4465 -5.4719 0.1412 0.1872 -0.0907 0.0195 0.0171 0.0220 0.3447 0.2083 0.0050 -0.5407 -0.6818 -0.5712 -0.0514 -0.0314 0.0000 0.0000 0.0000 162.2996 T0351.try16-opt1.pdb 117 0.5112 1.4485 1.5252 2.9239 2.8789 3.3703 3.6833 3.1046 -6.2648 0.1188 0.1104 -0.1768 0.2365 0.1197 0.0721 -0.0855 -0.1478 -0.2603 -0.2739 -0.7017 -0.5890 -0.0057 0.0000 0.0000 0.0000 0.0000 162.4359 T0351.try8-opt2.repack-nonPC.pdb.gz 117 0.5067 1.4964 1.5736 3.0184 3.0095 3.5245 3.7916 1.9514 -5.8592 0.1153 0.0747 -0.2251 0.0872 0.0342 0.0134 0.1537 0.0856 -0.1526 -0.4077 -0.6222 -0.5232 -0.0054 0.0000 0.0000 0.0000 0.0000 162.9743 T0351.try11-opt1.pdb.gz 117 0.5024 1.5004 1.6207 2.9739 2.9709 3.5835 3.8616 2.3240 -6.1463 0.1284 0.1169 -0.0764 0.2177 0.0513 0.0324 0.2098 0.1752 0.0490 -0.3355 -0.6933 -0.5724 -0.0481 -0.0287 0.0000 0.0000 0.0000 163.0253 T0351.try12-opt2.pdb.gz 117 0.5108 1.4851 1.5572 2.8545 2.9762 3.7091 3.9716 2.8484 -6.6642 0.1536 0.1282 -0.0719 0.0910 0.0427 0.0372 0.0572 -0.0568 -0.1772 -0.2449 -0.6861 -0.5751 -0.0148 -0.0148 0.0000 0.0000 0.0000 163.1072 T0351.try8-opt2.gromacs0.pdb.gz 117 0.5089 1.5279 1.5859 2.9818 2.9734 3.4704 3.7466 1.8954 -5.7345 0.1442 0.1720 -0.2000 0.0297 0.0342 0.0128 0.3172 0.2876 0.0454 -0.3857 -0.6069 -0.5116 -0.0044 0.0000 0.0000 0.0000 0.0000 163.1928 T0351.try9-opt1.pdb.gz 117 0.5877 1.6218 1.6801 2.8391 2.9172 3.5608 3.8778 2.4834 -6.2974 0.1909 0.1092 -0.1840 0.1607 0.0513 0.0398 0.1186 0.0300 -0.2043 -0.3721 -0.7180 -0.6168 -0.0040 0.0000 0.0000 0.0000 0.0000 163.3179 T0351.try5-opt1.pdb.gz 117 0.4686 1.4644 1.5334 2.8938 2.9575 3.5496 3.8469 5.0721 -6.1137 0.1570 0.0787 -0.0659 0.1634 0.0171 0.0170 0.2226 0.1506 -0.0594 -0.4154 -0.7590 -0.6191 -0.0325 -0.0107 0.0000 0.0000 0.0000 163.7438 T0351.try16-opt1-scwrl.pdb 117 0.5105 1.4485 1.5252 2.9624 2.9053 3.3879 3.6893 3.1016 -6.4592 0.1188 0.1104 -0.1768 0.2910 0.1197 0.0721 -0.0855 -0.1478 -0.2603 -0.2739 -0.6873 -0.5890 -0.0057 0.0000 0.0000 0.0000 0.0000 164.0127 T0351.try13-opt2.repack-nonPC.pdb.gz 117 0.4823 1.5453 1.5890 3.0405 3.0291 3.5696 3.8260 2.4231 -6.1612 0.1971 0.1274 -0.1133 0.2031 0.1111 0.0500 0.1877 0.1395 -0.0525 -0.4549 -0.6593 -0.5657 -0.0446 -0.0277 0.0000 0.0000 0.0000 164.0653 T0351.try4-opt1.pdb.gz 117 0.5097 1.5169 1.5697 3.0553 2.9423 3.5567 3.8461 1.5704 -5.9322 0.3068 0.1123 -0.1763 0.1894 0.0256 0.0116 0.2641 0.1759 0.0915 -0.0989 -0.5977 -0.5113 -0.0644 -0.0408 0.0000 0.0000 0.0000 164.1867 T0351.try7-opt2.pdb.gz 117 0.5010 1.4513 1.5713 2.9461 2.8757 3.3588 3.6651 3.6349 -6.4578 0.1318 0.1466 -0.1277 0.1485 0.0427 0.1326 -0.0137 -0.0882 -0.2457 -0.3086 -0.7080 -0.5771 -0.0067 0.0000 0.0000 0.0000 0.0000 164.2230 T0351.try4-opt2.gromacs0.pdb.gz 117 0.5001 1.5166 1.6008 3.0211 2.9262 3.5175 3.8240 1.4269 -5.1656 0.1629 0.2110 -0.1498 0.0238 0.0000 0.0224 0.4893 0.3921 0.2385 -0.1121 -0.6409 -0.5230 -0.0654 -0.0401 0.0000 0.0000 0.0000 164.4482 T0351.try10-opt1.pdb.gz 117 0.5376 1.5436 1.6166 3.0243 3.0380 3.6670 3.9880 3.6281 -6.0271 0.1025 0.1121 -0.1245 0.1671 0.0256 0.0289 0.0495 -0.1058 -0.2377 -0.5284 -0.7009 -0.5797 -0.0494 -0.0263 0.0000 0.0000 0.0000 164.9918 T0351.try8-opt2.gromacs0.repack-nonPC.pdb.gz 117 0.5005 1.5279 1.5859 3.0193 3.0069 3.5068 3.7721 2.0121 -5.8138 0.1442 0.1720 -0.2000 0.0459 0.0342 0.0128 0.3172 0.2876 0.0454 -0.3880 -0.5960 -0.5116 -0.0044 0.0000 0.0000 0.0000 0.0000 165.1523 T0351.try3-opt2.repack-nonPC.pdb.gz 117 0.4963 1.5159 1.5665 2.9858 2.9829 3.6533 3.9972 4.5778 -5.9076 0.1832 0.0856 -0.0943 0.0571 0.0342 0.0369 0.1042 -0.0261 -0.1288 -0.4215 -0.6853 -0.5870 -0.0498 -0.0270 0.0000 0.0000 0.0000 165.1534 T0351.try10-opt2.gromacs0.pdb.gz 117 0.5206 1.5691 1.6189 2.9758 3.0074 3.6355 3.8989 3.4532 -5.3956 0.1490 0.1967 0.0019 0.0305 0.0085 0.0224 0.3266 0.2059 0.0215 -0.5628 -0.6877 -0.5692 -0.0502 -0.0282 0.0000 0.0000 0.0000 165.1664 T0351.try9-opt1-scwrl.pdb.gz 117 0.5879 1.6218 1.6801 2.9056 2.9280 3.5885 3.8889 2.4977 -6.4007 0.1909 0.1092 -0.1840 0.1882 0.0513 0.0398 0.1186 0.0300 -0.2043 -0.3652 -0.6985 -0.6168 -0.0040 0.0000 0.0000 0.0000 0.0000 165.2706 T0351.try12-opt2.repack-nonPC.pdb.gz 117 0.5158 1.4851 1.5572 2.8817 3.0126 3.7322 3.9755 2.8640 -6.5533 0.1536 0.1282 -0.0719 0.0876 0.0427 0.0372 0.0572 -0.0568 -0.1772 -0.2500 -0.6353 -0.5751 -0.0148 -0.0148 0.0000 0.0000 0.0000 165.3797 T0351.try14-opt2.pdb.gz 117 0.5037 1.4831 1.5283 2.9164 2.9186 3.5970 3.9157 3.4133 -6.5660 0.1626 0.1094 -0.1920 0.1188 0.0256 0.0287 0.0924 -0.0743 -0.1697 -0.1653 -0.6823 -0.5454 0.0000 0.0000 0.0000 0.0000 0.0000 165.4200 T0351.try11-opt1-scwrl.pdb.gz 117 0.5082 1.5004 1.6207 2.9685 2.9600 3.5729 3.8645 2.3444 -6.1485 0.1284 0.1169 -0.0764 0.3584 0.0513 0.0324 0.2098 0.1752 0.0490 -0.3358 -0.6667 -0.5724 -0.0481 -0.0287 0.0000 0.0000 0.0000 165.6421 T0351.try5-opt2.gromacs0.pdb.gz 117 0.4674 1.4572 1.5391 2.8718 2.9132 3.4954 3.8111 4.8317 -5.2034 0.1359 0.2019 -0.0641 0.0360 0.0171 0.0299 0.4865 0.4224 0.2178 -0.4502 -0.7759 -0.6138 -0.0314 -0.0101 0.0000 0.0000 0.0000 165.9904 T0351.try13-opt1.pdb.gz 117 0.4778 1.5390 1.5946 3.0669 3.0029 3.5480 3.7995 2.4659 -6.1404 0.2091 0.1482 -0.1144 0.2606 0.1026 0.0575 0.1965 0.1456 -0.0425 -0.4405 -0.6254 -0.5574 -0.0434 -0.0269 0.0000 0.0000 0.0000 166.0188 T0351.try4-opt2.gromacs0.repack-nonPC.pdb.gz 117 0.4869 1.5166 1.6008 3.0710 2.9503 3.5393 3.8310 1.4786 -5.1214 0.1629 0.2110 -0.1498 0.0284 0.0000 0.0224 0.4893 0.3921 0.2385 -0.1175 -0.6352 -0.5230 -0.0654 -0.0401 0.0000 0.0000 0.0000 166.2096 T0351.try1-opt2.pdb.gz 117 0.5256 1.6403 1.6981 2.8443 2.8597 3.4957 3.7457 2.1316 -6.5244 0.1781 0.1040 -0.1272 0.1089 0.0000 0.0473 0.0945 0.1016 0.0033 0.2013 -0.6646 -0.5443 -0.0233 0.0000 0.0000 0.0000 0.0000 166.5627 T0351.try11-opt2.gromacs0.pdb.gz 117 0.4873 1.5092 1.6149 2.9372 2.9270 3.5609 3.8415 2.2377 -5.1059 0.1667 0.2329 0.0584 0.0389 0.0342 0.0514 0.4709 0.4209 0.2378 -0.3676 -0.6950 -0.5744 -0.0429 -0.0257 0.0000 0.0000 0.0000 166.7713 T0351.try5-opt1-scwrl.pdb.gz 117 0.4695 1.4644 1.5334 2.9564 2.9678 3.5471 3.8512 5.1512 -6.1760 0.1570 0.0787 -0.0659 0.2664 0.0171 0.0170 0.2226 0.1506 -0.0594 -0.4101 -0.7394 -0.6191 -0.0325 -0.0107 0.0000 0.0000 0.0000 166.9716 T0351.try10-opt2.gromacs0.repack-nonPC.pdb.gz 117 0.5162 1.5691 1.6189 3.0350 3.0454 3.6552 3.9095 3.3370 -5.3818 0.1490 0.1967 0.0019 0.0369 0.0085 0.0224 0.3266 0.2059 0.0215 -0.5631 -0.6830 -0.5692 -0.0502 -0.0282 0.0000 0.0000 0.0000 167.0808 T0351.try13-opt1-scwrl.pdb.gz 117 0.4810 1.5390 1.5946 3.0930 3.0125 3.5397 3.8051 2.5030 -6.2606 0.2091 0.1482 -0.1144 0.3287 0.1026 0.0575 0.1965 0.1456 -0.0425 -0.4433 -0.6216 -0.5574 -0.0434 -0.0269 0.0000 0.0000 0.0000 167.3676 T0351.try2-opt2.gromacs0.repack-nonPC.pdb.gz 117 0.5474 1.6524 1.6425 3.0184 3.0633 3.6449 3.9149 3.3636 -5.3604 0.1412 0.1872 -0.0907 0.0241 0.0171 0.0220 0.3447 0.2083 0.0050 -0.5384 -0.6676 -0.5712 -0.0514 -0.0314 0.0000 0.0000 0.0000 167.4248 T0351.try10-opt1-scwrl.pdb.gz 117 0.5429 1.5436 1.6166 3.0508 3.0641 3.6843 4.0106 3.6643 -6.4259 0.1025 0.1121 -0.1245 0.3190 0.0256 0.0289 0.0495 -0.1058 -0.2377 -0.5382 -0.6725 -0.5797 -0.0494 -0.0263 0.0000 0.0000 0.0000 167.4753 T0351.try4-opt1-scwrl.pdb.gz 117 0.5155 1.5169 1.5697 3.0725 2.9595 3.5664 3.8528 1.5087 -6.0396 0.3068 0.1123 -0.1763 0.3455 0.0256 0.0116 0.2641 0.1759 0.0915 -0.0959 -0.6078 -0.5113 -0.0644 -0.0408 0.0000 0.0000 0.0000 167.5106 T0351.try7-opt2.repack-nonPC.pdb.gz 117 0.5053 1.4513 1.5713 2.9800 2.9292 3.3908 3.6739 3.5737 -6.0272 0.1318 0.1466 -0.1277 0.1085 0.0427 0.1326 -0.0137 -0.0882 -0.2457 -0.3001 -0.6637 -0.5771 -0.0067 0.0000 0.0000 0.0000 0.0000 167.9728 T0351.try9-opt2.gromacs0.pdb.gz 117 0.5947 1.6154 1.6785 2.8054 2.9210 3.5465 3.8542 2.3772 -5.3489 0.2014 0.2032 -0.1510 0.0251 0.0256 0.0240 0.5637 0.5552 0.2649 -0.3183 -0.7465 -0.6210 -0.0047 0.0000 0.0000 0.0000 0.0000 168.2228 T0351.try8-opt1.pdb.gz 117 0.5078 1.5044 1.5721 3.0288 3.0640 3.5995 3.8565 2.4488 -5.9499 0.1458 0.0644 -0.2247 0.1390 0.0598 0.0000 0.3310 0.2977 0.0543 -0.3903 -0.5828 -0.5054 -0.0052 0.0000 0.0000 0.0000 0.0000 168.5667 T0351.try5-opt2.gromacs0.repack-nonPC.pdb.gz 117 0.4584 1.4572 1.5391 2.9461 2.9603 3.5294 3.8359 4.8293 -5.1253 0.1359 0.2019 -0.0641 0.0256 0.0171 0.0299 0.4865 0.4224 0.2178 -0.4478 -0.7099 -0.6138 -0.0314 -0.0101 0.0000 0.0000 0.0000 169.0901 T0351.try11-opt2.gromacs0.repack-nonPC.pdb.gz 117 0.5152 1.5092 1.6149 2.9756 2.9744 3.5731 3.8541 2.1705 -5.0320 0.1667 0.2329 0.0584 0.0344 0.0342 0.0514 0.4709 0.4209 0.2378 -0.3655 -0.7029 -0.5744 -0.0429 -0.0257 0.0000 0.0000 0.0000 169.0991 T0351.try1-opt2.repack-nonPC.pdb.gz 117 0.5449 1.6403 1.6981 2.9230 2.9204 3.5278 3.7527 2.1471 -6.5828 0.1781 0.1040 -0.1272 0.0936 0.0000 0.0473 0.0945 0.1016 0.0033 0.1978 -0.6570 -0.5443 -0.0233 0.0000 0.0000 0.0000 0.0000 169.1821 T0351.try3-opt1.pdb.gz 117 0.4963 1.4870 1.5566 2.9543 2.9654 3.6787 4.0269 4.9135 -5.4735 0.1765 0.0637 -0.0698 0.1171 0.0171 0.0176 0.2645 0.1457 -0.0067 -0.3846 -0.6967 -0.5795 -0.0492 -0.0257 0.0000 0.0000 0.0000 169.2108 T0351.try12-opt1.pdb.gz 117 0.5357 1.4974 1.5766 2.8745 3.0048 3.7349 4.0030 3.0699 -6.3789 0.1777 0.1257 -0.0593 0.1305 0.0427 0.0188 0.2093 0.1809 -0.0354 -0.1774 -0.6585 -0.5582 -0.0144 -0.0144 0.0000 0.0000 0.0000 169.3993 T0351.try12-opt1-scwrl.pdb.gz 117 0.5204 1.4974 1.5766 2.9328 3.0064 3.7306 4.0016 2.9717 -6.5129 0.1777 0.1257 -0.0593 0.1394 0.0427 0.0188 0.2093 0.1809 -0.0354 -0.1690 -0.6460 -0.5582 -0.0144 -0.0144 0.0000 0.0000 0.0000 169.5064 T0351.try15-opt2.pdb.gz 117 0.4695 1.4806 1.5776 2.8503 2.9962 3.7535 4.0620 4.6929 -6.6827 0.2127 0.1094 -0.0951 0.0590 0.0000 0.0296 -0.0015 -0.1382 -0.2372 -0.1014 -0.7344 -0.6150 0.0000 0.0000 0.0000 0.0000 0.0000 169.8408 T0351.try8-opt1-scwrl.pdb.gz 117 0.5168 1.5044 1.5721 3.0401 3.1025 3.5965 3.8589 2.3539 -5.9906 0.1458 0.0644 -0.2247 0.1832 0.0598 0.0000 0.3310 0.2977 0.0543 -0.3949 -0.5918 -0.5054 -0.0052 0.0000 0.0000 0.0000 0.0000 169.9848 T0351.try9-opt2.gromacs0.repack-nonPC.pdb.gz 117 0.6075 1.6154 1.6785 2.9229 2.9343 3.5520 3.8666 2.2771 -5.4186 0.2014 0.2032 -0.1510 0.0194 0.0256 0.0240 0.5637 0.5552 0.2649 -0.3173 -0.7141 -0.6210 -0.0047 0.0000 0.0000 0.0000 0.0000 170.1014 T0351.try13-opt2.gromacs0.pdb.gz 117 0.4679 1.5592 1.5994 3.0073 2.9853 3.5561 3.8093 2.4511 -4.9893 0.2472 0.2178 -0.0466 0.0459 0.0513 0.0415 0.6306 0.6675 0.3905 -0.4352 -0.6359 -0.5470 -0.0401 -0.0228 0.0000 0.0000 0.0000 170.1570 T0351.try14-opt2.repack-nonPC.pdb.gz 117 0.5037 1.4831 1.5283 3.0078 2.9712 3.6231 3.9348 3.4151 -6.0882 0.1626 0.1094 -0.1920 0.0801 0.0256 0.0287 0.0924 -0.0743 -0.1697 -0.1545 -0.6590 -0.5454 0.0000 0.0000 0.0000 0.0000 0.0000 170.2298 T0351.try3-opt2.gromacs0.pdb.gz 117 0.4974 1.5124 1.5682 2.9318 2.9268 3.6129 3.9658 4.5441 -4.8759 0.1590 0.1994 -0.0616 0.0233 0.0256 0.0223 0.5285 0.4064 0.2510 -0.3997 -0.6718 -0.5589 -0.0455 -0.0257 0.0000 0.0000 0.0000 170.7985 T0351.try3-opt2.gromacs0.repack-nonPC.pdb.gz 117 0.4946 1.5124 1.5682 2.9814 2.9800 3.6652 3.9903 4.5817 -5.2325 0.1590 0.1994 -0.0616 0.0159 0.0256 0.0223 0.5285 0.4064 0.2510 -0.3993 -0.6613 -0.5589 -0.0455 -0.0257 0.0000 0.0000 0.0000 171.6758 T0351.try14-opt1.pdb.gz 117 0.5097 1.4914 1.5477 2.9865 2.9694 3.6361 3.9294 3.4657 -6.4112 0.1640 0.1169 -0.1875 0.1644 0.0256 0.0262 0.1956 0.0549 -0.1097 -0.1104 -0.6342 -0.5248 0.0000 0.0000 0.0000 0.0000 0.0000 171.9961 T0351.try14-opt1-scwrl.pdb.gz 117 0.4945 1.4914 1.5477 3.0124 2.9839 3.6410 3.9438 3.4834 -6.4958 0.1640 0.1169 -0.1875 0.1582 0.0256 0.0262 0.1956 0.0549 -0.1097 -0.1063 -0.6209 -0.5248 0.0000 0.0000 0.0000 0.0000 0.0000 172.2096 T0351.try12-opt2.gromacs0.pdb.gz 117 0.5164 1.5058 1.5605 2.9136 2.9927 3.7123 3.9714 2.8445 -5.8838 0.1488 0.1890 -0.0370 0.0276 0.0342 0.0096 0.5895 0.6102 0.3489 -0.2000 -0.6335 -0.5352 -0.0073 -0.0073 0.0000 0.0000 0.0000 172.4815 T0351.try13-opt2.gromacs0.repack-nonPC.pdb.gz 117 0.4762 1.5592 1.5994 3.0421 3.0502 3.5914 3.8301 2.4867 -5.0785 0.2472 0.2178 -0.0466 0.0603 0.0513 0.0415 0.6306 0.6675 0.3905 -0.4338 -0.6205 -0.5470 -0.0401 -0.0228 0.0000 0.0000 0.0000 172.7460 T0351.try7-opt1.pdb.gz 117 0.5153 1.4813 1.5637 3.0081 2.9081 3.3923 3.6845 3.8059 -6.0761 0.1438 0.1363 -0.1228 0.2150 0.0427 0.1240 0.1975 0.1503 -0.0339 -0.2077 -0.6762 -0.5814 -0.0065 0.0000 0.0000 0.0000 0.0000 172.8231 T0351.try3-opt1-scwrl.pdb.gz 117 0.5160 1.4870 1.5566 3.0272 3.0171 3.7596 4.0595 4.9690 -5.8110 0.1765 0.0637 -0.0698 0.1804 0.0171 0.0176 0.2645 0.1457 -0.0067 -0.3849 -0.6661 -0.5795 -0.0492 -0.0257 0.0000 0.0000 0.0000 172.8475 T0351.try14-opt2.gromacs0.pdb.gz 117 0.5024 1.4958 1.5657 2.9501 2.9449 3.6037 3.9217 3.4111 -5.7338 0.1671 0.1871 -0.1855 0.0256 0.0256 0.0193 0.4755 0.4411 0.2089 -0.1189 -0.6661 -0.5251 -0.0007 0.0000 0.0000 0.0000 0.0000 172.9698 T0351.try1-opt1.pdb.gz 117 0.5501 1.6424 1.7056 2.9064 2.8889 3.5389 3.7729 2.2014 -6.2090 0.1852 0.0977 -0.1324 0.1542 0.0171 0.0449 0.3487 0.3211 0.1923 0.2038 -0.6341 -0.5241 -0.0229 0.0000 0.0000 0.0000 0.0000 173.4994 T0351.try6-opt2.pdb.gz 117 0.5332 1.6078 1.6656 2.8035 2.9023 3.6977 4.0672 4.0970 -6.3947 0.1584 0.1452 -0.1315 0.1413 0.0342 0.1132 -0.0689 -0.1774 -0.3050 -0.1729 -0.6663 -0.5709 -0.0043 0.0000 0.0000 0.0000 0.0000 173.6728 T0351.try1-opt1-scwrl.pdb.gz 117 0.5719 1.6424 1.7056 2.9570 2.9073 3.5532 3.7811 2.1983 -6.5759 0.1852 0.0977 -0.1324 0.1812 0.0171 0.0449 0.3487 0.3211 0.1923 0.1980 -0.6343 -0.5241 -0.0229 0.0000 0.0000 0.0000 0.0000 173.8195 T0351.try12-opt2.gromacs0.repack-nonPC.pdb.gz 117 0.5359 1.5058 1.5605 2.9203 3.0296 3.7313 3.9751 2.8624 -5.9227 0.1488 0.1890 -0.0370 0.0293 0.0342 0.0096 0.5895 0.6102 0.3489 -0.1940 -0.6104 -0.5352 -0.0073 -0.0073 0.0000 0.0000 0.0000 173.9960 T0351.try15-opt2.repack-nonPC.pdb.gz 117 0.4829 1.4806 1.5776 2.9171 3.0780 3.8043 4.0722 4.8520 -6.5087 0.2127 0.1094 -0.0951 0.0638 0.0000 0.0296 -0.0015 -0.1382 -0.2372 -0.1064 -0.7474 -0.6150 0.0000 0.0000 0.0000 0.0000 0.0000 174.6380 T0351.try14-opt2.gromacs0.repack-nonPC.pdb.gz 117 0.5088 1.4958 1.5657 2.9871 2.9820 3.6262 3.9431 3.3728 -5.6257 0.1671 0.1871 -0.1855 0.0220 0.0256 0.0193 0.4755 0.4411 0.2089 -0.1152 -0.6407 -0.5251 -0.0007 0.0000 0.0000 0.0000 0.0000 175.3834 T0351.try15-opt1.pdb.gz 117 0.4795 1.4946 1.5804 2.8931 3.0494 3.8020 4.0855 4.6609 -6.5299 0.1626 0.1155 -0.0897 0.1172 0.0171 0.0277 0.0320 -0.0770 -0.2057 -0.0190 -0.7095 -0.6017 0.0000 0.0000 0.0000 0.0000 0.0000 176.0152 T0351.try1-opt2.gromacs0.pdb.gz 117 0.5339 1.6360 1.7139 2.8718 2.8798 3.5024 3.7487 2.1292 -5.1433 0.1568 0.2171 -0.1538 0.0253 0.0085 0.0155 0.8216 0.8490 0.6683 0.2005 -0.6660 -0.5359 -0.0235 0.0000 0.0000 0.0000 0.0000 176.5566 T0351.try1-opt2.gromacs0.repack-nonPC.pdb.gz 117 0.5486 1.6360 1.7139 2.9113 2.9221 3.5428 3.7624 2.1247 -5.4522 0.1568 0.2171 -0.1538 0.0218 0.0085 0.0155 0.8216 0.8490 0.6683 0.1978 -0.6656 -0.5359 -0.0235 0.0000 0.0000 0.0000 0.0000 177.2283 T0351.try6-opt2.repack-nonPC.pdb.gz 117 0.5168 1.6078 1.6656 2.9283 2.9963 3.7318 4.0731 4.1521 -6.4193 0.1584 0.1452 -0.1315 0.1257 0.0342 0.1132 -0.0689 -0.1774 -0.3050 -0.1675 -0.6666 -0.5709 -0.0043 0.0000 0.0000 0.0000 0.0000 177.4756 T0351.try15-opt1-scwrl.pdb.gz 117 0.4825 1.4946 1.5804 2.9595 3.0640 3.8156 4.0936 4.6695 -6.6044 0.1626 0.1155 -0.0897 0.1242 0.0171 0.0277 0.0320 -0.0770 -0.2057 -0.0163 -0.6966 -0.6017 0.0000 0.0000 0.0000 0.0000 0.0000 177.4832 T0351.try7-opt1-scwrl.pdb.gz 117 0.5268 1.4813 1.5637 3.0858 2.9257 3.4142 3.6976 3.8171 -6.3452 0.1438 0.1363 -0.1228 0.4324 0.0427 0.1240 0.1975 0.1503 -0.0339 -0.1970 -0.6716 -0.5814 -0.0065 0.0000 0.0000 0.0000 0.0000 178.1149 T0351.try15-opt2.gromacs0.pdb.gz 117 0.4704 1.4763 1.5688 2.9002 3.0154 3.7689 4.0625 4.6923 -5.7286 0.1584 0.2052 -0.0335 0.0169 0.0256 0.0195 0.4840 0.4441 0.2270 -0.0614 -0.7259 -0.6028 0.0000 0.0000 0.0000 0.0000 0.0000 179.4505 T0351.try6-opt1.pdb.gz 117 0.5474 1.6395 1.6678 2.8564 2.9257 3.7425 4.0938 4.1774 -6.1058 0.1752 0.1252 -0.0997 0.2253 0.0342 0.0927 0.0512 -0.0622 -0.2004 -0.1057 -0.6820 -0.5533 -0.0041 0.0000 0.0000 0.0000 0.0000 180.2236 T0351.try6-opt1-scwrl.pdb.gz 117 0.5587 1.6395 1.6678 2.8892 2.9460 3.7364 4.0904 4.1903 -6.3052 0.1752 0.1252 -0.0997 0.2830 0.0342 0.0927 0.0512 -0.0622 -0.2004 -0.1064 -0.6824 -0.5533 -0.0041 0.0000 0.0000 0.0000 0.0000 181.3554 T0351.try15-opt2.gromacs0.repack-nonPC.pdb.gz 117 0.4809 1.4763 1.5688 2.9542 3.0611 3.8021 4.0700 4.8488 -5.8000 0.1584 0.2052 -0.0335 0.0154 0.0256 0.0195 0.4840 0.4441 0.2270 -0.0564 -0.7235 -0.6028 0.0000 0.0000 0.0000 0.0000 0.0000 181.8807 T0351.try7-opt2.gromacs0.pdb.gz 117 0.5127 1.4652 1.5650 3.0122 2.9003 3.3863 3.6612 3.6330 -4.4437 0.6805 0.2808 -0.0897 0.0596 0.0342 0.1099 0.5626 0.5459 0.2783 -0.2866 -0.6840 -0.5446 -0.0058 0.0000 0.0000 0.0000 0.0000 182.0119 T0351.try6-opt2.gromacs0.pdb.gz 117 0.5406 1.6115 1.6677 2.8304 2.9184 3.7034 4.0672 4.0955 -4.5755 0.2108 0.2440 -0.1303 0.0546 0.0256 0.0958 0.5169 0.5068 0.2555 -0.1434 -0.6664 -0.5602 -0.0042 0.0000 0.0000 0.0000 0.0000 186.5654 T0351.try6-opt2.gromacs0.repack-nonPC.pdb.gz 117 0.5452 1.6115 1.6677 2.9316 3.0063 3.7276 4.0800 4.0857 -4.6664 0.2108 0.2440 -0.1303 0.0593 0.0256 0.0958 0.5169 0.5068 0.2555 -0.1492 -0.6485 -0.5602 -0.0042 0.0000 0.0000 0.0000 0.0000 189.9615