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%40020.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Funrestrained%2Foutputs%2F1l2y_csa%40020.pdb;h=7c5ff178b82b007890602d7e17ecb76d02425f78;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@020.pdb b/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@020.pdb new file mode 100644 index 0000000..7c5ff17 --- /dev/null +++ b/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@020.pdb @@ -0,0 +1,60 @@ +REMARK GM 20 e 1078117 m 3185 ENERGY -8.45522E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 5.226 0.710 0.545 0.000 +ATOM 3 CA LEU 2 5.413 -3.440 0.000 0.000 +ATOM 4 CB LEU 2 5.318 -5.377 -0.040 0.000 +ATOM 5 CA TYR 3 9.151 -3.349 -0.682 0.000 +ATOM 6 CB TYR 3 9.395 -0.878 -0.627 0.000 +ATOM 7 CA ILE 4 11.661 -6.201 -0.724 0.000 +ATOM 8 CB ILE 4 12.347 -6.905 -2.203 0.000 +ATOM 9 CA GLN 5 12.000 -6.112 3.060 0.000 +ATOM 10 CB GLN 5 12.229 -4.133 4.086 0.000 +ATOM 11 CA TRP 6 8.298 -6.884 3.433 0.000 +ATOM 12 CB TRP 6 8.313 -4.303 3.079 0.000 +ATOM 13 CA LEU 7 8.496 -9.362 0.560 0.000 +ATOM 14 CB LEU 7 8.787 -9.798 -1.307 0.000 +ATOM 15 CA LYS 8 11.294 -11.236 2.319 0.000 +ATOM 16 CB LYS 8 13.297 -10.122 1.224 0.000 +ATOM 17 CA ASP 9 9.139 -11.821 5.395 0.000 +ATOM 18 CB ASP 9 8.361 -10.441 6.035 0.000 +ATOM 19 CA GLY 10 8.394 -15.378 4.287 0.000 +ATOM 20 CA GLY 11 9.329 -15.081 0.616 0.000 +ATOM 21 CA PRO 12 6.268 -13.046 -0.346 0.000 +ATOM 22 CB PRO 12 5.936 -13.918 -1.314 0.000 +ATOM 23 CA SER 13 4.364 -14.112 2.766 0.000 +ATOM 24 CB SER 13 4.761 -15.190 2.719 0.000 +ATOM 25 CA SER 14 4.745 -10.752 4.500 0.000 +ATOM 26 CB SER 14 5.247 -9.958 3.837 0.000 +ATOM 27 CA GLY 15 1.236 -9.374 4.981 0.000 +ATOM 28 CA ARG 16 1.214 -7.339 1.772 0.000 +ATOM 29 CB ARG 16 1.488 -4.341 1.529 0.000 +ATOM 30 CA PRO 17 1.570 -8.239 -1.903 0.000 +ATOM 31 CB PRO 17 1.034 -7.012 -2.027 0.000 +ATOM 32 CA PRO 18 5.022 -9.091 -3.245 0.000 +ATOM 33 CB PRO 18 4.408 -10.246 -3.560 0.000 +ATOM 34 CA PRO 19 6.765 -6.622 -5.548 0.000 +ATOM 35 CB PRO 19 7.483 -6.288 -4.461 0.000 +ATOM 36 CA SER 20 8.223 -9.363 -7.739 0.000 +ATOM 37 CB SER 20 8.320 -10.372 -7.196 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