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%40035.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Funrestrained%2Foutputs%2F1l2y_csa%40035.pdb;h=5986defb88ef3c0802d5737c426a8443a512256b;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@035.pdb b/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@035.pdb new file mode 100644 index 0000000..5986def --- /dev/null +++ b/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@035.pdb @@ -0,0 +1,61 @@ +REMARK GM 35 e 5581972 m 17918 ENERGY -9.22334E+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 0.444 0.132 0.000 +ATOM 3 CA LEU 2 4.056 -3.791 0.000 0.000 +ATOM 4 CB LEU 2 3.534 -5.613 -0.410 0.000 +ATOM 5 CA TYR 3 6.130 -3.748 -3.184 0.000 +ATOM 6 CB TYR 3 5.986 -1.309 -3.632 0.000 +ATOM 7 CA ILE 4 9.335 -3.142 -1.235 0.000 +ATOM 8 CB ILE 4 10.043 -1.536 -0.957 0.000 +ATOM 9 CA GLN 5 8.318 -5.724 1.361 0.000 +ATOM 10 CB GLN 5 7.146 -4.176 2.477 0.000 +ATOM 11 CA TRP 6 7.198 -8.077 -1.404 0.000 +ATOM 12 CB TRP 6 5.675 -10.076 -2.091 0.000 +ATOM 13 CA LEU 7 10.291 -7.237 -3.446 0.000 +ATOM 14 CB LEU 7 9.113 -6.627 -4.860 0.000 +ATOM 15 CA LYS 8 12.508 -7.874 -0.426 0.000 +ATOM 16 CB LYS 8 12.945 -5.486 0.324 0.000 +ATOM 17 CA ASP 9 10.713 -11.127 0.373 0.000 +ATOM 18 CB ASP 9 9.294 -10.386 0.972 0.000 +ATOM 19 CA GLY 10 12.489 -12.838 -2.518 0.000 +ATOM 20 CA GLY 11 11.090 -11.002 -5.537 0.000 +ATOM 21 CA PRO 12 7.480 -12.152 -5.238 0.000 +ATOM 22 CB PRO 12 6.986 -11.075 -5.874 0.000 +ATOM 23 CA SER 13 8.478 -15.541 -3.839 0.000 +ATOM 24 CB SER 13 9.604 -15.666 -3.642 0.000 +ATOM 25 CA SER 14 7.490 -14.692 -0.269 0.000 +ATOM 26 CB SER 14 7.199 -13.589 -0.127 0.000 +ATOM 27 CA GLY 15 4.301 -16.001 1.330 0.000 +ATOM 28 CA ARG 16 2.280 -12.869 0.589 0.000 +ATOM 29 CB ARG 16 4.077 -10.550 1.307 0.000 +ATOM 30 CA PRO 17 0.598 -11.740 -2.626 0.000 +ATOM 31 CB PRO 17 0.188 -10.728 -1.841 0.000 +ATOM 32 CA PRO 18 2.764 -10.730 -5.580 0.000 +ATOM 33 CB PRO 18 1.981 -11.608 -6.232 0.000 +ATOM 34 CA PRO 19 2.856 -7.065 -6.578 0.000 +ATOM 35 CB PRO 19 3.747 -6.997 -5.572 0.000 +ATOM 36 CA SER 20 4.227 -7.802 -10.044 0.000 +ATOM 37 CB SER 20 5.197 -8.419 -10.003 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