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%40012.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Frestrained%2Foutputs%2F1l2y_csa%40012.pdb;h=b6c77d05bf725ea57fb9adcf3b0a9425406b1f1d;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@012.pdb b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@012.pdb new file mode 100644 index 0000000..b6c77d0 --- /dev/null +++ b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@012.pdb @@ -0,0 +1,61 @@ +REMARK GM 12 e 133369 m 309 ENERGY -7.55945E+01 +HELIX 1 H1 LEU 2 GLY 10 1 8 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.239 1.443 0.748 0.000 +ATOM 3 CA LEU 2 4.039 -3.793 0.000 0.000 +ATOM 4 CB LEU 2 4.639 -4.459 1.719 0.000 +ATOM 5 CA TYR 3 1.237 -4.072 -2.552 0.000 +ATOM 6 CB TYR 3 -1.053 -4.736 -3.249 0.000 +ATOM 7 CA ILE 4 3.562 -2.881 -5.311 0.000 +ATOM 8 CB ILE 4 3.751 -1.183 -5.798 0.000 +ATOM 9 CA GLN 5 6.013 -5.628 -4.370 0.000 +ATOM 10 CB GLN 5 6.412 -6.406 -2.308 0.000 +ATOM 11 CA TRP 6 3.134 -8.094 -4.105 0.000 +ATOM 12 CB TRP 6 2.709 -10.593 -4.708 0.000 +ATOM 13 CA LEU 7 1.784 -6.945 -7.466 0.000 +ATOM 14 CB LEU 7 0.703 -5.336 -7.527 0.000 +ATOM 15 CA LYS 8 5.237 -7.333 -9.003 0.000 +ATOM 16 CB LYS 8 5.776 -4.850 -9.020 0.000 +ATOM 17 CA ASP 9 5.599 -10.813 -7.520 0.000 +ATOM 18 CB ASP 9 6.448 -10.665 -6.044 0.000 +ATOM 19 CA GLY 10 2.203 -11.900 -8.833 0.000 +ATOM 20 CA GLY 11 -0.982 -11.940 -6.760 0.000 +ATOM 21 CA PRO 12 -0.642 -14.988 -4.517 0.000 +ATOM 22 CB PRO 12 -1.673 -14.499 -3.805 0.000 +ATOM 23 CA SER 13 1.312 -16.983 -7.095 0.000 +ATOM 24 CB SER 13 1.185 -18.125 -7.070 0.000 +ATOM 25 CA SER 14 -1.228 -16.245 -9.823 0.000 +ATOM 26 CB SER 14 -2.218 -15.921 -9.335 0.000 +ATOM 27 CA GLY 15 -1.000 -13.263 -12.167 0.000 +ATOM 28 CA ARG 16 -3.492 -10.504 -11.382 0.000 +ATOM 29 CB ARG 16 -3.240 -8.367 -9.262 0.000 +ATOM 30 CA PRO 17 -3.870 -7.020 -12.853 0.000 +ATOM 31 CB PRO 17 -5.111 -7.504 -13.036 0.000 +ATOM 32 CA PRO 18 -2.294 -4.196 -10.858 0.000 +ATOM 33 CB PRO 18 -1.786 -3.815 -12.043 0.000 +ATOM 34 CA PRO 19 -4.326 -1.588 -8.985 0.000 +ATOM 35 CB PRO 19 -4.224 -2.370 -7.896 0.000 +ATOM 36 CA SER 20 -1.400 0.822 -8.722 0.000 +ATOM 37 CB SER 20 -0.453 0.347 -8.275 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