X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40008.pdb;fp=examples%2Funres%2FCSA%2F4P%2Foutputs%2F1l2y_csa%40008.pdb;h=b9644ae403fb10de1428237ea7dd724feb31db7a;hp=3642b0cc73d9a4fe28c0230ec69bbc61633a8074;hb=eaf9ca9f0a81ea1952cfd9db5435374f931fa8ef;hpb=9becba72a2b2a3171746bbddc5159bfc60a51ae5 diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@008.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@008.pdb index 3642b0c..b9644ae 100644 --- a/examples/unres/CSA/4P/outputs/1l2y_csa@008.pdb +++ b/examples/unres/CSA/4P/outputs/1l2y_csa@008.pdb @@ -1,43 +1,41 @@ -REMARK GM 8 e 36386 m 100 ENERGY -1.30461E+02 -SHEET 1 B1 2 GLN 5 LEU 7 0 -SHEET 2 B1 2 GLY 10 PRO 12 -1 N PRO 12 O GLN 5 +REMARK GM 8 e 83282 m 243 ENERGY -1.35492E+02 ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 -ATOM 2 CB ASN 1 5.293 0.767 0.133 0.000 -ATOM 3 CA LEU 2 5.629 -3.331 0.000 0.000 -ATOM 4 CB LEU 2 5.453 -4.366 -1.630 0.000 -ATOM 5 CA TYR 3 7.714 -4.496 2.956 0.000 -ATOM 6 CB TYR 3 6.688 -3.986 5.160 0.000 -ATOM 7 CA ILE 4 8.855 -7.702 1.266 0.000 -ATOM 8 CB ILE 4 7.787 -8.437 0.053 0.000 -ATOM 9 CA GLN 5 11.863 -7.792 -1.054 0.000 -ATOM 10 CB GLN 5 12.602 -9.376 0.346 0.000 -ATOM 11 CA TRP 6 10.710 -6.261 -4.336 0.000 -ATOM 12 CB TRP 6 9.763 -4.089 -3.253 0.000 -ATOM 13 CA LEU 7 13.213 -4.729 -6.750 0.000 -ATOM 14 CB LEU 7 14.231 -3.256 -7.494 0.000 -ATOM 15 CA LYS 8 15.799 -7.429 -6.068 0.000 -ATOM 16 CB LYS 8 15.735 -7.824 -3.559 0.000 -ATOM 17 CA ASP 9 15.814 -8.435 -9.732 0.000 -ATOM 18 CB ASP 9 16.029 -9.438 -11.100 0.000 -ATOM 19 CA GLY 10 12.304 -7.045 -10.167 0.000 -ATOM 20 CA GLY 11 10.751 -9.265 -7.503 0.000 -ATOM 21 CA PRO 12 13.455 -10.966 -5.443 0.000 -ATOM 22 CB PRO 12 12.649 -10.787 -4.381 0.000 -ATOM 23 CA SER 13 14.962 -12.382 -8.632 0.000 -ATOM 24 CB SER 13 15.166 -13.513 -8.656 0.000 -ATOM 25 CA SER 14 11.663 -12.391 -10.518 0.000 -ATOM 26 CB SER 14 10.742 -12.306 -9.835 0.000 -ATOM 27 CA GLY 15 10.529 -9.916 -13.168 0.000 -ATOM 28 CA ARG 16 6.882 -9.948 -12.098 0.000 -ATOM 29 CB ARG 16 7.720 -12.830 -12.430 0.000 -ATOM 30 CA PRO 17 5.052 -8.017 -9.384 0.000 -ATOM 31 CB PRO 17 4.086 -8.106 -10.315 0.000 -ATOM 32 CA PRO 18 5.114 -9.397 -5.844 0.000 -ATOM 33 CB PRO 18 6.234 -8.664 -5.717 0.000 -ATOM 34 CA PRO 19 1.879 -10.874 -4.505 0.000 -ATOM 35 CB PRO 19 2.597 -11.789 -3.830 0.000 -ATOM 36 CA SER 20 1.566 -8.263 -1.762 0.000 -ATOM 37 CB SER 20 2.559 -8.013 -1.238 0.000 +ATOM 2 CB ASN 1 5.359 0.461 0.438 0.000 +ATOM 3 CA LEU 2 4.043 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 5.451 -4.545 1.099 0.000 +ATOM 5 CA TYR 3 1.486 -4.125 -2.792 0.000 +ATOM 6 CB TYR 3 -0.869 -4.364 -2.037 0.000 +ATOM 7 CA ILE 4 3.084 -4.155 -6.239 0.000 +ATOM 8 CB ILE 4 4.291 -2.861 -6.396 0.000 +ATOM 9 CA GLN 5 2.479 -6.665 -9.027 0.000 +ATOM 10 CB GLN 5 2.532 -5.384 -10.864 0.000 +ATOM 11 CA TRP 6 5.271 -8.903 -7.747 0.000 +ATOM 12 CB TRP 6 7.660 -9.637 -8.480 0.000 +ATOM 13 CA LEU 7 3.221 -9.994 -4.739 0.000 +ATOM 14 CB LEU 7 3.314 -8.475 -3.537 0.000 +ATOM 15 CA LYS 8 0.629 -11.634 -6.983 0.000 +ATOM 16 CB LYS 8 0.119 -9.174 -7.361 0.000 +ATOM 17 CA ASP 9 3.173 -14.139 -8.285 0.000 +ATOM 18 CB ASP 9 4.457 -13.173 -8.868 0.000 +ATOM 19 CA GLY 10 2.268 -16.716 -5.644 0.000 +ATOM 20 CA GLY 11 -1.464 -16.008 -5.741 0.000 +ATOM 21 CA PRO 12 -4.010 -16.756 -8.461 0.000 +ATOM 22 CB PRO 12 -4.849 -15.830 -7.963 0.000 +ATOM 23 CA SER 13 -2.013 -14.871 -11.088 0.000 +ATOM 24 CB SER 13 -1.368 -14.003 -10.698 0.000 +ATOM 25 CA SER 14 0.720 -17.511 -11.155 0.000 +ATOM 26 CB SER 14 1.377 -17.518 -10.211 0.000 +ATOM 27 CA GLY 15 -1.558 -20.350 -10.063 0.000 +ATOM 28 CA ARG 16 0.197 -20.970 -6.751 0.000 +ATOM 29 CB ARG 16 3.077 -20.222 -6.233 0.000 +ATOM 30 CA PRO 17 -1.415 -22.022 -3.474 0.000 +ATOM 31 CB PRO 17 -0.230 -22.653 -3.400 0.000 +ATOM 32 CA PRO 18 -3.044 -19.327 -1.347 0.000 +ATOM 33 CB PRO 18 -3.478 -18.776 -2.494 0.000 +ATOM 34 CA PRO 19 -2.896 -21.437 1.810 0.000 +ATOM 35 CB PRO 19 -2.152 -22.339 1.144 0.000 +ATOM 36 CA SER 20 -0.398 -19.122 3.495 0.000 +ATOM 37 CB SER 20 0.669 -19.148 3.065 0.000 TER CONECT 1 3 2 CONECT 3 5 4