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%40030.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Funrestrained%2Foutputs%2F1l2y_csa%40030.pdb;h=7f20dcafbed7c2f70ac4e1b13c743192138045bf;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@030.pdb b/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@030.pdb new file mode 100644 index 0000000..7f20dca --- /dev/null +++ b/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@030.pdb @@ -0,0 +1,61 @@ +REMARK GM 30 e 2731353 m 8558 ENERGY -9.07468E+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 5.452 0.319 0.061 0.000 +ATOM 3 CA LEU 2 4.062 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.754 -5.651 -0.452 0.000 +ATOM 5 CA TYR 3 6.277 -3.724 -3.087 0.000 +ATOM 6 CB TYR 3 6.179 -5.869 -4.335 0.000 +ATOM 7 CA ILE 4 9.403 -3.278 -0.973 0.000 +ATOM 8 CB ILE 4 10.220 -1.736 -0.639 0.000 +ATOM 9 CA GLN 5 8.164 -5.895 1.487 0.000 +ATOM 10 CB GLN 5 7.136 -4.212 2.551 0.000 +ATOM 11 CA TRP 6 7.178 -8.173 -1.390 0.000 +ATOM 12 CB TRP 6 6.729 -10.372 -2.712 0.000 +ATOM 13 CA LEU 7 10.479 -7.550 -3.165 0.000 +ATOM 14 CB LEU 7 10.548 -6.048 -4.388 0.000 +ATOM 15 CA LYS 8 12.411 -8.293 0.022 0.000 +ATOM 16 CB LYS 8 13.132 -5.893 0.444 0.000 +ATOM 17 CA ASP 9 10.037 -11.087 1.019 0.000 +ATOM 18 CB ASP 9 9.079 -10.098 2.031 0.000 +ATOM 19 CA GLY 10 10.725 -13.077 -2.145 0.000 +ATOM 20 CA GLY 11 9.560 -12.277 -5.672 0.000 +ATOM 21 CA PRO 12 6.257 -12.148 -7.548 0.000 +ATOM 22 CB PRO 12 6.492 -13.130 -8.437 0.000 +ATOM 23 CA SER 13 3.958 -14.755 -6.012 0.000 +ATOM 24 CB SER 13 3.432 -15.470 -6.743 0.000 +ATOM 25 CA SER 14 6.912 -17.017 -5.240 0.000 +ATOM 26 CB SER 14 7.850 -16.446 -5.582 0.000 +ATOM 27 CA GLY 15 7.187 -15.738 -1.672 0.000 +ATOM 28 CA ARG 16 4.648 -13.429 -0.040 0.000 +ATOM 29 CB ARG 16 5.151 -10.651 1.033 0.000 +ATOM 30 CA PRO 17 1.875 -11.672 -1.953 0.000 +ATOM 31 CB PRO 17 1.504 -11.257 -0.728 0.000 +ATOM 32 CA PRO 18 2.808 -9.003 -4.492 0.000 +ATOM 33 CB PRO 18 2.978 -10.097 -5.256 0.000 +ATOM 34 CA PRO 19 0.861 -5.927 -5.583 0.000 +ATOM 35 CB PRO 19 1.630 -5.101 -4.851 0.000 +ATOM 36 CA SER 20 3.111 -5.290 -8.579 0.000 +ATOM 37 CB SER 20 4.216 -5.505 -8.343 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