X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Frestrained%2Foutputs%2F1l2y_csa%40011.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Frestrained%2Foutputs%2F1l2y_csa%40011.pdb;h=a183cd355436178821db2096e4ee68008dd7752a;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@011.pdb b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@011.pdb new file mode 100644 index 0000000..a183cd3 --- /dev/null +++ b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@011.pdb @@ -0,0 +1,61 @@ +REMARK GM 11 e 112730 m 243 ENERGY -7.55449E+01 +HELIX 1 H1 ILE 4 GLY 10 1 6 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.372 0.186 1.573 0.000 +ATOM 3 CA LEU 2 4.048 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 5.866 -3.919 0.662 0.000 +ATOM 5 CA TYR 3 1.527 -6.042 -1.738 0.000 +ATOM 6 CB TYR 3 -0.345 -6.058 -3.371 0.000 +ATOM 7 CA ILE 4 1.155 -9.794 -1.258 0.000 +ATOM 8 CB ILE 4 -0.421 -10.579 -1.486 0.000 +ATOM 9 CA GLN 5 4.519 -10.428 -2.908 0.000 +ATOM 10 CB GLN 5 3.896 -9.598 -4.893 0.000 +ATOM 11 CA TRP 6 6.276 -8.420 -0.203 0.000 +ATOM 12 CB TRP 6 7.975 -8.053 1.738 0.000 +ATOM 13 CA LEU 7 3.845 -9.603 2.467 0.000 +ATOM 14 CB LEU 7 2.897 -7.911 2.514 0.000 +ATOM 15 CA LYS 8 4.670 -13.230 1.690 0.000 +ATOM 16 CB LYS 8 2.355 -13.913 0.895 0.000 +ATOM 17 CA ASP 9 8.285 -12.412 0.851 0.000 +ATOM 18 CB ASP 9 8.284 -11.665 -0.686 0.000 +ATOM 19 CA GLY 10 9.033 -11.393 4.434 0.000 +ATOM 20 CA GLY 11 6.721 -8.851 6.057 0.000 +ATOM 21 CA PRO 12 6.712 -6.449 9.002 0.000 +ATOM 22 CB PRO 12 5.727 -5.740 8.423 0.000 +ATOM 23 CA SER 13 8.787 -8.790 11.158 0.000 +ATOM 24 CB SER 13 8.494 -9.901 11.105 0.000 +ATOM 25 CA SER 14 11.563 -8.961 8.568 0.000 +ATOM 26 CB SER 14 11.091 -9.211 7.550 0.000 +ATOM 27 CA GLY 15 13.268 -5.979 6.945 0.000 +ATOM 28 CA ARG 16 11.023 -3.750 4.840 0.000 +ATOM 29 CB ARG 16 8.187 -4.788 4.818 0.000 +ATOM 30 CA PRO 17 8.796 -0.779 5.650 0.000 +ATOM 31 CB PRO 17 8.597 -0.742 4.320 0.000 +ATOM 32 CA PRO 18 5.620 -1.414 7.637 0.000 +ATOM 33 CB PRO 18 6.079 -0.381 8.366 0.000 +ATOM 34 CA PRO 19 2.303 -1.282 5.789 0.000 +ATOM 35 CB PRO 19 2.803 -2.277 5.035 0.000 +ATOM 36 CA SER 20 0.494 0.444 8.651 0.000 +ATOM 37 CB SER 20 0.968 0.262 9.683 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