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%40023.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Funrestrained%2Foutputs%2F1l2y_csa%40023.pdb;h=3ece7b39402eee6e4d3d400641d5e996e68df705;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@023.pdb b/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@023.pdb new file mode 100644 index 0000000..3ece7b3 --- /dev/null +++ b/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@023.pdb @@ -0,0 +1,60 @@ +REMARK GM 23 e 1600668 m 4859 ENERGY -8.60202E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.354 0.241 1.572 0.000 +ATOM 3 CA LEU 2 4.046 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 3.985 -5.687 0.406 0.000 +ATOM 5 CA TYR 3 1.221 -4.106 -2.523 0.000 +ATOM 6 CB TYR 3 -0.240 -5.993 -1.835 0.000 +ATOM 7 CA ILE 4 3.682 -4.091 -5.418 0.000 +ATOM 8 CB ILE 4 4.114 -2.623 -6.319 0.000 +ATOM 9 CA GLN 5 5.850 -6.652 -3.634 0.000 +ATOM 10 CB GLN 5 7.120 -5.035 -2.745 0.000 +ATOM 11 CA TRP 6 2.753 -8.572 -2.555 0.000 +ATOM 12 CB TRP 6 1.028 -10.345 -1.739 0.000 +ATOM 13 CA LEU 7 1.412 -8.659 -6.109 0.000 +ATOM 14 CB LEU 7 0.245 -7.113 -6.186 0.000 +ATOM 15 CA LYS 8 4.688 -10.064 -7.426 0.000 +ATOM 16 CB LYS 8 5.619 -9.569 -5.114 0.000 +ATOM 17 CA ASP 9 2.760 -13.164 -8.483 0.000 +ATOM 18 CB ASP 9 3.824 -14.173 -9.360 0.000 +ATOM 19 CA GLY 10 0.675 -13.002 -5.310 0.000 +ATOM 20 CA GLY 11 3.641 -13.038 -2.935 0.000 +ATOM 21 CA PRO 12 7.043 -13.012 -4.628 0.000 +ATOM 22 CB PRO 12 7.517 -13.825 -3.667 0.000 +ATOM 23 CA SER 13 6.009 -15.688 -7.120 0.000 +ATOM 24 CB SER 13 6.785 -16.514 -7.318 0.000 +ATOM 25 CA SER 14 3.958 -17.578 -4.539 0.000 +ATOM 26 CB SER 14 4.333 -17.189 -3.524 0.000 +ATOM 27 CA GLY 15 0.266 -17.579 -3.640 0.000 +ATOM 28 CA ARG 16 0.737 -16.093 -0.174 0.000 +ATOM 29 CB ARG 16 2.255 -13.576 0.519 0.000 +ATOM 30 CA PRO 17 -1.871 -14.544 2.115 0.000 +ATOM 31 CB PRO 17 -0.965 -14.964 3.015 0.000 +ATOM 32 CA PRO 18 -3.204 -11.102 1.211 0.000 +ATOM 33 CB PRO 18 -4.390 -11.649 1.534 0.000 +ATOM 34 CA PRO 19 -1.937 -8.132 3.214 0.000 +ATOM 35 CB PRO 19 -0.808 -8.328 2.509 0.000 +ATOM 36 CA SER 20 -5.391 -6.591 3.583 0.000 +ATOM 37 CB SER 20 -6.131 -6.931 2.771 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