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%40002.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Funrestrained%2Foutputs%2F1l2y_csa%40002.pdb;h=f16d75f0019d2e572d3ae739b46d64c7f27deccd;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@002.pdb b/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@002.pdb new file mode 100644 index 0000000..f16d75f --- /dev/null +++ b/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@002.pdb @@ -0,0 +1,60 @@ +REMARK GM 2 e 711 m 2 ENERGY -5.07058E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.266 0.769 0.309 0.000 +ATOM 3 CA LEU 2 5.612 -3.340 0.000 0.000 +ATOM 4 CB LEU 2 4.498 -4.394 -1.186 0.000 +ATOM 5 CA TYR 3 9.053 -3.719 1.567 0.000 +ATOM 6 CB TYR 3 10.849 -2.507 2.781 0.000 +ATOM 7 CA ILE 4 10.903 -7.037 1.504 0.000 +ATOM 8 CB ILE 4 10.158 -8.252 0.444 0.000 +ATOM 9 CA GLN 5 14.465 -7.187 2.819 0.000 +ATOM 10 CB GLN 5 14.772 -5.201 3.808 0.000 +ATOM 11 CA TRP 6 14.552 -10.963 2.396 0.000 +ATOM 12 CB TRP 6 14.931 -13.538 2.503 0.000 +ATOM 13 CA LEU 7 14.658 -10.644 -1.389 0.000 +ATOM 14 CB LEU 7 14.509 -8.714 -1.285 0.000 +ATOM 15 CA LYS 8 17.591 -13.046 -1.650 0.000 +ATOM 16 CB LYS 8 18.438 -11.036 -2.954 0.000 +ATOM 17 CA ASP 9 15.340 -16.056 -1.088 0.000 +ATOM 18 CB ASP 9 13.732 -16.473 -0.687 0.000 +ATOM 19 CA GLY 10 15.490 -19.169 -3.262 0.000 +ATOM 20 CA GLY 11 13.829 -22.222 -1.726 0.000 +ATOM 21 CA PRO 12 12.200 -25.363 -3.114 0.000 +ATOM 22 CB PRO 12 12.804 -25.924 -2.051 0.000 +ATOM 23 CA SER 13 9.030 -24.358 -4.952 0.000 +ATOM 24 CB SER 13 8.319 -25.211 -5.252 0.000 +ATOM 25 CA SER 14 7.336 -23.369 -1.698 0.000 +ATOM 26 CB SER 14 7.756 -23.885 -0.760 0.000 +ATOM 27 CA GLY 15 9.305 -20.137 -1.354 0.000 +ATOM 28 CA ARG 16 8.705 -16.459 -0.611 0.000 +ATOM 29 CB ARG 16 10.349 -14.000 0.000 0.000 +ATOM 30 CA PRO 17 7.868 -13.875 -3.269 0.000 +ATOM 31 CB PRO 17 6.769 -13.834 -2.496 0.000 +ATOM 32 CA PRO 18 10.540 -11.398 -4.349 0.000 +ATOM 33 CB PRO 18 11.417 -12.216 -3.739 0.000 +ATOM 34 CA PRO 19 9.885 -12.021 -8.040 0.000 +ATOM 35 CB PRO 19 8.865 -12.701 -7.488 0.000 +ATOM 36 CA SER 20 9.320 -8.329 -8.740 0.000 +ATOM 37 CB SER 20 9.184 -8.336 -7.599 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