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%40038.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Funrestrained%2Foutputs%2F1l2y_csa%40038.pdb;h=7618b3455ffe4a19a09b9d4f4fe36da4116aa5e1;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@038.pdb b/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@038.pdb new file mode 100644 index 0000000..7618b34 --- /dev/null +++ b/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@038.pdb @@ -0,0 +1,61 @@ +REMARK GM 38 e 8861871 m 29154 ENERGY -9.23025E+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 0.442 0.153 0.000 +ATOM 3 CA LEU 2 4.057 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.632 -5.640 -0.401 0.000 +ATOM 5 CA TYR 3 6.071 -3.753 -3.222 0.000 +ATOM 6 CB TYR 3 5.914 -1.302 -3.598 0.000 +ATOM 7 CA ILE 4 9.306 -3.213 -1.303 0.000 +ATOM 8 CB ILE 4 10.008 -1.618 -0.964 0.000 +ATOM 9 CA GLN 5 8.307 -5.876 1.217 0.000 +ATOM 10 CB GLN 5 7.172 -4.404 2.466 0.000 +ATOM 11 CA TRP 6 7.150 -8.134 -1.612 0.000 +ATOM 12 CB TRP 6 5.718 -10.172 -2.374 0.000 +ATOM 13 CA LEU 7 10.229 -7.235 -3.651 0.000 +ATOM 14 CB LEU 7 9.018 -6.655 -5.051 0.000 +ATOM 15 CA LYS 8 12.464 -7.940 -0.660 0.000 +ATOM 16 CB LYS 8 12.896 -5.587 0.195 0.000 +ATOM 17 CA ASP 9 10.721 -11.246 0.028 0.000 +ATOM 18 CB ASP 9 9.259 -10.596 0.629 0.000 +ATOM 19 CA GLY 10 12.586 -12.836 -2.876 0.000 +ATOM 20 CA GLY 11 11.178 -10.922 -5.841 0.000 +ATOM 21 CA PRO 12 7.602 -12.187 -5.609 0.000 +ATOM 22 CB PRO 12 7.051 -11.093 -6.165 0.000 +ATOM 23 CA SER 13 8.693 -15.600 -4.345 0.000 +ATOM 24 CB SER 13 9.820 -15.703 -4.142 0.000 +ATOM 25 CA SER 14 7.637 -14.918 -0.759 0.000 +ATOM 26 CB SER 14 7.281 -13.838 -0.585 0.000 +ATOM 27 CA GLY 15 4.469 -16.480 0.642 0.000 +ATOM 28 CA ARG 16 2.290 -13.446 -0.056 0.000 +ATOM 29 CB ARG 16 3.964 -11.104 0.858 0.000 +ATOM 30 CA PRO 17 0.571 -12.228 -3.218 0.000 +ATOM 31 CB PRO 17 0.572 -11.055 -2.561 0.000 +ATOM 32 CA PRO 18 2.870 -10.886 -5.930 0.000 +ATOM 33 CB PRO 18 2.235 -11.821 -6.659 0.000 +ATOM 34 CA PRO 19 2.739 -7.149 -6.605 0.000 +ATOM 35 CB PRO 19 3.640 -7.052 -5.611 0.000 +ATOM 36 CA SER 20 4.495 -7.427 -9.964 0.000 +ATOM 37 CB SER 20 5.614 -7.672 -9.858 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