X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Frestrained%2Foutputs%2F1l2y_csa%40041.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Frestrained%2Foutputs%2F1l2y_csa%40041.pdb;h=0acd9027f3e6fa9690dc35f9615ceb1cd39a6fa5;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@041.pdb b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@041.pdb new file mode 100644 index 0000000..0acd902 --- /dev/null +++ b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@041.pdb @@ -0,0 +1,61 @@ +REMARK GM 41 e 4311131 m 14559 ENERGY -9.23007E+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 5.419 0.439 0.153 0.000 +ATOM 3 CA LEU 2 4.058 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.634 -5.642 -0.395 0.000 +ATOM 5 CA TYR 3 6.073 -3.753 -3.221 0.000 +ATOM 6 CB TYR 3 5.914 -1.303 -3.599 0.000 +ATOM 7 CA ILE 4 9.308 -3.211 -1.302 0.000 +ATOM 8 CB ILE 4 10.013 -1.617 -0.960 0.000 +ATOM 9 CA GLN 5 8.309 -5.873 1.219 0.000 +ATOM 10 CB GLN 5 7.175 -4.395 2.462 0.000 +ATOM 11 CA TRP 6 7.154 -8.133 -1.610 0.000 +ATOM 12 CB TRP 6 5.721 -10.175 -2.359 0.000 +ATOM 13 CA LEU 7 10.233 -7.234 -3.648 0.000 +ATOM 14 CB LEU 7 9.021 -6.659 -5.048 0.000 +ATOM 15 CA LYS 8 12.468 -7.931 -0.655 0.000 +ATOM 16 CB LYS 8 12.909 -5.577 0.194 0.000 +ATOM 17 CA ASP 9 10.730 -11.239 0.039 0.000 +ATOM 18 CB ASP 9 9.264 -10.595 0.635 0.000 +ATOM 19 CA GLY 10 12.594 -12.831 -2.865 0.000 +ATOM 20 CA GLY 11 11.179 -10.929 -5.835 0.000 +ATOM 21 CA PRO 12 7.602 -12.191 -5.597 0.000 +ATOM 22 CB PRO 12 7.049 -11.096 -6.150 0.000 +ATOM 23 CA SER 13 8.692 -15.605 -4.333 0.000 +ATOM 24 CB SER 13 9.820 -15.703 -4.131 0.000 +ATOM 25 CA SER 14 7.643 -14.919 -0.745 0.000 +ATOM 26 CB SER 14 7.287 -13.839 -0.570 0.000 +ATOM 27 CA GLY 15 4.482 -16.481 0.671 0.000 +ATOM 28 CA ARG 16 2.301 -13.448 -0.023 0.000 +ATOM 29 CB ARG 16 3.972 -11.101 0.880 0.000 +ATOM 30 CA PRO 17 0.575 -12.238 -3.185 0.000 +ATOM 31 CB PRO 17 0.574 -11.064 -2.528 0.000 +ATOM 32 CA PRO 18 2.868 -10.902 -5.905 0.000 +ATOM 33 CB PRO 18 2.235 -11.843 -6.627 0.000 +ATOM 34 CA PRO 19 2.730 -7.165 -6.585 0.000 +ATOM 35 CB PRO 19 3.636 -7.063 -5.596 0.000 +ATOM 36 CA SER 20 4.480 -7.445 -9.946 0.000 +ATOM 37 CB SER 20 5.599 -7.688 -9.844 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