X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Funrestrained%2Foutputs%2F1l2y_csa%40012.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Funrestrained%2Foutputs%2F1l2y_csa%40012.pdb;h=6a3506e3c7bf0fed557cd319a2e248d412adb12d;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@012.pdb b/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@012.pdb new file mode 100644 index 0000000..6a3506e --- /dev/null +++ b/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@012.pdb @@ -0,0 +1,60 @@ +REMARK GM 12 e 251121 m 636 ENERGY -7.24014E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.285 0.705 0.367 0.000 +ATOM 3 CA LEU 2 5.508 -3.395 0.000 0.000 +ATOM 4 CB LEU 2 5.606 -5.273 -0.471 0.000 +ATOM 5 CA TYR 3 9.239 -2.684 -0.125 0.000 +ATOM 6 CB TYR 3 10.000 -0.648 1.078 0.000 +ATOM 7 CA ILE 4 10.110 -6.326 0.519 0.000 +ATOM 8 CB ILE 4 9.486 -7.176 1.948 0.000 +ATOM 9 CA GLN 5 9.871 -7.096 -3.195 0.000 +ATOM 10 CB GLN 5 8.491 -5.489 -3.922 0.000 +ATOM 11 CA TRP 6 12.132 -4.142 -3.973 0.000 +ATOM 12 CB TRP 6 12.606 -2.168 -2.340 0.000 +ATOM 13 CA LEU 7 14.827 -5.405 -1.612 0.000 +ATOM 14 CB LEU 7 14.471 -6.529 -0.072 0.000 +ATOM 15 CA LYS 8 17.541 -4.421 -4.083 0.000 +ATOM 16 CB LYS 8 15.662 -5.258 -5.575 0.000 +ATOM 17 CA ASP 9 17.859 -0.987 -2.488 0.000 +ATOM 18 CB ASP 9 16.500 -0.064 -2.959 0.000 +ATOM 19 CA GLY 10 15.953 -1.930 0.661 0.000 +ATOM 20 CA GLY 11 13.961 0.188 3.107 0.000 +ATOM 21 CA PRO 12 14.578 3.594 1.538 0.000 +ATOM 22 CB PRO 12 14.312 4.158 2.730 0.000 +ATOM 23 CA SER 13 18.297 2.839 1.346 0.000 +ATOM 24 CB SER 13 19.000 3.694 1.656 0.000 +ATOM 25 CA SER 14 18.297 0.980 4.660 0.000 +ATOM 26 CB SER 14 17.292 1.199 5.174 0.000 +ATOM 27 CA GLY 15 18.280 -2.791 5.127 0.000 +ATOM 28 CA ARG 16 15.459 -5.270 4.551 0.000 +ATOM 29 CB ARG 16 13.323 -7.281 5.272 0.000 +ATOM 30 CA PRO 17 11.932 -3.877 4.798 0.000 +ATOM 31 CB PRO 17 12.220 -3.628 3.508 0.000 +ATOM 32 CA PRO 18 9.306 -5.757 6.800 0.000 +ATOM 33 CB PRO 18 9.564 -5.149 7.971 0.000 +ATOM 34 CA PRO 19 6.174 -3.927 5.667 0.000 +ATOM 35 CB PRO 19 6.885 -3.859 4.527 0.000 +ATOM 36 CA SER 20 3.014 -4.750 7.610 0.000 +ATOM 37 CB SER 20 3.160 -4.969 8.730 0.000 +TER +CONECT 1 3 2 +CONECT 3 5 4 +CONECT 5 7 6 +CONECT 7 9 8 +CONECT 9 11 10 +CONECT 11 13 12 +CONECT 13 15 14 +CONECT 15 17 16 +CONECT 17 19 18 +CONECT 19 20 +CONECT 20 21 +CONECT 21 23 22 +CONECT 23 25 24 +CONECT 25 27 26 +CONECT 27 28 +CONECT 28 30 29 +CONECT 30 32 31 +CONECT 32 34 33 +CONECT 34 36 35 +CONECT 36 37 +ENDMDL