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%40044.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Frestrained%2Foutputs%2F1l2y_csa%40044.pdb;h=a693e548ab64389f70fab199cf8d537cdbd2c514;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@044.pdb b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@044.pdb new file mode 100644 index 0000000..a693e54 --- /dev/null +++ b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@044.pdb @@ -0,0 +1,61 @@ +REMARK GM 44 e 5354977 m 18234 ENERGY -9.23026E+01 +HELIX 1 H1 TYR 3 GLY 10 1 7 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.418 0.441 0.152 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.631 -5.640 -0.401 0.000 +ATOM 5 CA TYR 3 6.071 -3.753 -3.222 0.000 +ATOM 6 CB TYR 3 5.915 -1.303 -3.599 0.000 +ATOM 7 CA ILE 4 9.306 -3.215 -1.302 0.000 +ATOM 8 CB ILE 4 10.008 -1.619 -0.962 0.000 +ATOM 9 CA GLN 5 8.306 -5.878 1.218 0.000 +ATOM 10 CB GLN 5 7.172 -4.403 2.466 0.000 +ATOM 11 CA TRP 6 7.149 -8.135 -1.612 0.000 +ATOM 12 CB TRP 6 5.717 -10.173 -2.372 0.000 +ATOM 13 CA LEU 7 10.229 -7.237 -3.649 0.000 +ATOM 14 CB LEU 7 9.019 -6.657 -5.049 0.000 +ATOM 15 CA LYS 8 12.462 -7.942 -0.656 0.000 +ATOM 16 CB LYS 8 12.896 -5.588 0.198 0.000 +ATOM 17 CA ASP 9 10.719 -11.247 0.032 0.000 +ATOM 18 CB ASP 9 9.257 -10.597 0.632 0.000 +ATOM 19 CA GLY 10 12.586 -12.839 -2.869 0.000 +ATOM 20 CA GLY 11 11.179 -10.926 -5.836 0.000 +ATOM 21 CA PRO 12 7.603 -12.189 -5.605 0.000 +ATOM 22 CB PRO 12 7.052 -11.095 -6.160 0.000 +ATOM 23 CA SER 13 8.693 -15.602 -4.340 0.000 +ATOM 24 CB SER 13 9.820 -15.706 -4.136 0.000 +ATOM 25 CA SER 14 7.635 -14.920 -0.754 0.000 +ATOM 26 CB SER 14 7.278 -13.841 -0.581 0.000 +ATOM 27 CA GLY 15 4.468 -16.482 0.647 0.000 +ATOM 28 CA ARG 16 2.289 -13.448 -0.051 0.000 +ATOM 29 CB ARG 16 3.962 -11.105 0.860 0.000 +ATOM 30 CA PRO 17 0.571 -12.231 -3.214 0.000 +ATOM 31 CB PRO 17 0.572 -11.056 -2.558 0.000 +ATOM 32 CA PRO 18 2.870 -10.889 -5.926 0.000 +ATOM 33 CB PRO 18 2.236 -11.826 -6.654 0.000 +ATOM 34 CA PRO 19 2.738 -7.152 -6.602 0.000 +ATOM 35 CB PRO 19 3.640 -7.055 -5.609 0.000 +ATOM 36 CA SER 20 4.498 -7.430 -9.959 0.000 +ATOM 37 CB SER 20 5.617 -7.670 -9.851 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