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%40026.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Funrestrained%2Foutputs%2F1l2y_csa%40026.pdb;h=9290fff2eae461b45bf723f48728dd420f0978fa;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@026.pdb b/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@026.pdb new file mode 100644 index 0000000..9290fff --- /dev/null +++ b/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@026.pdb @@ -0,0 +1,61 @@ +REMARK GM 26 e 1850370 m 5672 ENERGY -9.06365E+01 +HELIX 1 H1 LEU 2 GLY 10 1 8 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.421 0.415 0.188 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.334 -5.584 0.160 0.000 +ATOM 5 CA TYR 3 4.791 -3.837 -3.728 0.000 +ATOM 6 CB TYR 3 3.899 -6.120 -4.134 0.000 +ATOM 7 CA ILE 4 8.279 -2.449 -3.141 0.000 +ATOM 8 CB ILE 4 8.640 -0.711 -3.067 0.000 +ATOM 9 CA GLN 5 8.799 -4.914 -0.296 0.000 +ATOM 10 CB GLN 5 7.822 -3.488 1.128 0.000 +ATOM 11 CA TRP 6 7.393 -7.690 -2.477 0.000 +ATOM 12 CB TRP 6 6.024 -9.833 -3.043 0.000 +ATOM 13 CA LEU 7 9.480 -6.481 -5.413 0.000 +ATOM 14 CB LEU 7 7.915 -6.408 -6.556 0.000 +ATOM 15 CA LYS 8 12.565 -6.274 -3.204 0.000 +ATOM 16 CB LYS 8 12.646 -3.780 -2.727 0.000 +ATOM 17 CA ASP 9 11.861 -9.681 -1.674 0.000 +ATOM 18 CB ASP 9 10.605 -9.016 -0.725 0.000 +ATOM 19 CA GLY 10 13.028 -11.388 -4.862 0.000 +ATOM 20 CA GLY 11 10.566 -10.289 -7.540 0.000 +ATOM 21 CA PRO 12 7.456 -12.107 -6.330 0.000 +ATOM 22 CB PRO 12 6.652 -11.319 -7.065 0.000 +ATOM 23 CA SER 13 9.466 -14.896 -4.711 0.000 +ATOM 24 CB SER 13 10.609 -14.775 -4.754 0.000 +ATOM 25 CA SER 14 8.969 -13.565 -1.186 0.000 +ATOM 26 CB SER 14 8.682 -12.452 -1.166 0.000 +ATOM 27 CA GLY 15 6.245 -14.549 1.273 0.000 +ATOM 28 CA ARG 16 3.741 -11.967 0.046 0.000 +ATOM 29 CB ARG 16 5.599 -9.684 0.716 0.000 +ATOM 30 CA PRO 17 1.201 -12.163 -2.774 0.000 +ATOM 31 CB PRO 17 0.861 -10.968 -2.259 0.000 +ATOM 32 CA PRO 18 2.345 -12.223 -6.397 0.000 +ATOM 33 CB PRO 18 1.712 -13.408 -6.452 0.000 +ATOM 34 CA PRO 19 1.033 -9.599 -8.813 0.000 +ATOM 35 CB PRO 19 2.011 -8.788 -8.372 0.000 +ATOM 36 CA SER 20 -0.845 -12.159 -10.901 0.000 +ATOM 37 CB SER 20 -0.447 -13.226 -10.740 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