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%40022.pdb;fp=examples%2Funres%2FCSA%2FGAB%2Fglobal%2Funrestrained%2Foutputs%2F1l2y_csa%40022.pdb;h=8f33d3f09cf3f9eaafc18f6e4cb2e2876becbd94;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@022.pdb b/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@022.pdb new file mode 100644 index 0000000..8f33d3f --- /dev/null +++ b/examples/unres/CSA/GAB/global/unrestrained/outputs/1l2y_csa@022.pdb @@ -0,0 +1,60 @@ +REMARK GM 22 e 1241940 m 3700 ENERGY -8.54199E+01 +ATOM 1 CA ASN 1 3.800 0.000 0.000 0.000 +ATOM 2 CB ASN 1 4.354 0.234 1.573 0.000 +ATOM 3 CA LEU 2 4.046 -3.792 0.000 0.000 +ATOM 4 CB LEU 2 4.412 -5.550 0.731 0.000 +ATOM 5 CA TYR 3 1.248 -4.158 -2.545 0.000 +ATOM 6 CB TYR 3 -0.311 -2.448 -3.447 0.000 +ATOM 7 CA ILE 4 1.886 -7.880 -2.968 0.000 +ATOM 8 CB ILE 4 3.518 -8.526 -3.241 0.000 +ATOM 9 CA GLN 5 -0.337 -8.641 0.018 0.000 +ATOM 10 CB GLN 5 0.270 -7.201 1.623 0.000 +ATOM 11 CA TRP 6 -2.925 -6.200 -1.318 0.000 +ATOM 12 CB TRP 6 -3.893 -3.862 -1.934 0.000 +ATOM 13 CA LEU 7 -2.699 -7.812 -4.752 0.000 +ATOM 14 CB LEU 7 -1.888 -6.330 -5.703 0.000 +ATOM 15 CA LYS 8 -4.257 -10.988 -3.365 0.000 +ATOM 16 CB LYS 8 -2.757 -11.042 -1.314 0.000 +ATOM 17 CA ASP 9 -6.672 -8.962 -1.244 0.000 +ATOM 18 CB ASP 9 -5.624 -8.449 0.005 0.000 +ATOM 19 CA GLY 10 -8.488 -7.654 -4.315 0.000 +ATOM 20 CA GLY 11 -6.525 -5.593 -6.832 0.000 +ATOM 21 CA PRO 12 -4.315 -2.595 -6.076 0.000 +ATOM 22 CB PRO 12 -4.165 -1.954 -7.249 0.000 +ATOM 23 CA SER 13 -7.243 -0.387 -5.078 0.000 +ATOM 24 CB SER 13 -6.763 0.530 -5.579 0.000 +ATOM 25 CA SER 14 -8.089 -2.595 -2.104 0.000 +ATOM 26 CB SER 14 -7.952 -3.460 -2.849 0.000 +ATOM 27 CA GLY 15 -7.203 0.063 0.464 0.000 +ATOM 28 CA ARG 16 -3.642 0.675 -0.711 0.000 +ATOM 29 CB ARG 16 -1.551 -1.369 0.044 0.000 +ATOM 30 CA PRO 17 -2.267 2.964 -3.415 0.000 +ATOM 31 CB PRO 17 -1.134 2.672 -2.751 0.000 +ATOM 32 CA PRO 18 -2.766 2.117 -7.086 0.000 +ATOM 33 CB PRO 18 -3.151 3.403 -7.178 0.000 +ATOM 34 CA PRO 19 0.235 0.944 -9.100 0.000 +ATOM 35 CB PRO 19 0.038 -0.135 -8.322 0.000 +ATOM 36 CA SER 20 0.546 2.263 -12.650 0.000 +ATOM 37 CB SER 20 1.613 2.477 -13.023 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