X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Frestrained%2Foutputs%2F1l2y_csa%40032.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Frestrained%2Foutputs%2F1l2y_csa%40032.pdb;h=6db277ba4b60b41b21cc2f8b9d54d6596c829df7;hb=973e30c3fc3444f4e49450c68a510ce149896509;hp=0000000000000000000000000000000000000000;hpb=e1f58c94091d831b301f5c3400202bb180284f72;p=unres.git diff --git a/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@032.pdb b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@032.pdb new file mode 100644 index 0000000..6db277b --- /dev/null +++ b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@032.pdb @@ -0,0 +1,61 @@ +REMARK GM 32 e 1939035 m 6283 ENERGY -9.06697E+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 5.416 0.450 0.144 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.542 -5.607 -0.448 0.000 +ATOM 5 CA TYR 3 6.088 -3.750 -3.211 0.000 +ATOM 6 CB TYR 3 5.960 -1.303 -3.616 0.000 +ATOM 7 CA ILE 4 9.310 -3.119 -1.297 0.000 +ATOM 8 CB ILE 4 10.008 -1.506 -1.042 0.000 +ATOM 9 CA GLN 5 8.354 -5.732 1.291 0.000 +ATOM 10 CB GLN 5 7.177 -4.208 2.435 0.000 +ATOM 11 CA TRP 6 7.225 -8.072 -1.482 0.000 +ATOM 12 CB TRP 6 5.680 -10.027 -2.243 0.000 +ATOM 13 CA LEU 7 10.288 -7.188 -3.550 0.000 +ATOM 14 CB LEU 7 9.087 -6.519 -4.917 0.000 +ATOM 15 CA LYS 8 12.545 -7.845 -0.563 0.000 +ATOM 16 CB LYS 8 12.955 -5.456 0.199 0.000 +ATOM 17 CA ASP 9 10.773 -11.112 0.226 0.000 +ATOM 18 CB ASP 9 9.379 -10.350 0.855 0.000 +ATOM 19 CA GLY 10 12.505 -12.791 -2.710 0.000 +ATOM 20 CA GLY 11 11.098 -10.920 -5.703 0.000 +ATOM 21 CA PRO 12 7.480 -12.044 -5.415 0.000 +ATOM 22 CB PRO 12 7.004 -10.963 -6.059 0.000 +ATOM 23 CA SER 13 8.448 -15.445 -4.023 0.000 +ATOM 24 CB SER 13 9.573 -15.579 -3.827 0.000 +ATOM 25 CA SER 14 7.468 -14.596 -0.451 0.000 +ATOM 26 CB SER 14 7.216 -13.485 -0.295 0.000 +ATOM 27 CA GLY 15 4.252 -15.811 1.167 0.000 +ATOM 28 CA ARG 16 2.302 -12.642 0.394 0.000 +ATOM 29 CB ARG 16 4.176 -10.418 1.207 0.000 +ATOM 30 CA PRO 17 0.616 -11.536 -2.827 0.000 +ATOM 31 CB PRO 17 0.184 -10.549 -2.023 0.000 +ATOM 32 CA PRO 18 2.778 -10.618 -5.814 0.000 +ATOM 33 CB PRO 18 1.926 -11.422 -6.475 0.000 +ATOM 34 CA PRO 19 3.032 -6.971 -6.850 0.000 +ATOM 35 CB PRO 19 3.799 -6.955 -5.745 0.000 +ATOM 36 CA SER 20 3.200 -6.201 -10.567 0.000 +ATOM 37 CB SER 20 4.268 -6.064 -10.972 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