MODEL 1 REMARK VINA RESULT: -4.9 0.000 0.000 REMARK 1 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: C2_1594 and C4_1596 ROOT HETATM 1 O1 1F1 B 201 19.844 7.291 26.121 1.00 19.48 -0.644 OA HETATM 2 C2 1F1 B 201 19.545 6.063 26.522 1.00 19.06 0.211 C HETATM 3 O3 1F1 B 201 19.973 5.653 27.599 1.00 19.86 -0.644 OA ENDROOT BRANCH 2 4 HETATM 4 C4 1F1 B 201 18.711 5.186 25.652 1.00 17.46 0.066 A HETATM 5 C5 1F1 B 201 19.044 3.837 25.510 1.00 16.55 0.006 A HETATM 6 C6 1F1 B 201 18.287 2.984 24.723 1.00 15.63 0.002 A HETATM 7 C7 1F1 B 201 17.189 3.530 24.072 1.00 15.06 0.017 A HETATM 8 C11 1F1 B 201 16.864 4.880 24.201 1.00 16.14 0.057 A HETATM 9 C8 1F1 B 201 16.247 2.968 23.224 1.00 16.37 0.020 A HETATM 10 C12 1F1 B 201 17.615 5.736 24.996 1.00 16.71 0.023 A HETATM 11 N10 1F1 B 201 15.766 5.125 23.461 1.00 16.03 -0.352 N HETATM 12 C9 1F1 B 201 15.376 3.983 22.853 1.00 16.10 0.072 A HETATM 13 H10 1F1 B 201 15.303 6.029 23.373 1.00 0.00 0.166 HD ENDBRANCH 2 4 TORSDOF 1 ENDMDL MODEL 2 REMARK VINA RESULT: -4.5 2.949 4.475 REMARK 1 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: C2_1594 and C4_1596 ROOT HETATM 1 O1 1F1 B 201 15.835 2.364 23.863 1.00 19.48 -0.644 OA HETATM 2 C2 1F1 B 201 16.205 3.622 23.665 1.00 19.06 0.211 C HETATM 3 O3 1F1 B 201 15.623 4.302 22.822 1.00 19.86 -0.644 OA ENDROOT BRANCH 2 4 HETATM 4 C4 1F1 B 201 17.337 4.189 24.452 1.00 17.46 0.066 A HETATM 5 C5 1F1 B 201 18.274 3.330 25.030 1.00 16.55 0.006 A HETATM 6 C6 1F1 B 201 19.349 3.816 25.756 1.00 15.63 0.002 A HETATM 7 C7 1F1 B 201 19.450 5.194 25.894 1.00 15.06 0.017 A HETATM 8 C11 1F1 B 201 18.507 6.053 25.329 1.00 16.14 0.057 A HETATM 9 C8 1F1 B 201 20.378 5.990 26.547 1.00 16.37 0.020 A HETATM 10 C12 1F1 B 201 17.432 5.569 24.593 1.00 16.71 0.023 A HETATM 11 N10 1F1 B 201 18.852 7.319 25.628 1.00 16.03 -0.352 N HETATM 12 C9 1F1 B 201 19.981 7.309 26.371 1.00 16.10 0.072 A HETATM 13 H10 1F1 B 201 18.343 8.154 25.339 1.00 0.00 0.166 HD ENDBRANCH 2 4 TORSDOF 1 ENDMDL MODEL 3 REMARK VINA RESULT: -4.3 1.322 2.039 REMARK 1 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: C2_1594 and C4_1596 ROOT HETATM 1 O1 1F1 B 201 19.632 6.863 26.850 1.00 19.48 -0.644 OA HETATM 2 C2 1F1 B 201 19.619 5.542 26.732 1.00 19.06 0.211 C HETATM 3 O3 1F1 B 201 20.388 4.864 27.411 1.00 19.86 -0.644 OA ENDROOT BRANCH 2 4 HETATM 4 C4 1F1 B 201 18.689 4.897 25.763 1.00 17.46 0.066 A HETATM 5 C5 1F1 B 201 17.705 5.665 25.136 1.00 16.55 0.006 A HETATM 6 C6 1F1 B 201 16.829 5.109 24.217 1.00 15.63 0.002 A HETATM 7 C7 1F1 B 201 16.965 3.752 23.954 1.00 15.06 0.017 A HETATM 8 C11 1F1 B 201 17.939 2.981 24.589 1.00 16.14 0.057 A HETATM 9 C8 1F1 B 201 16.265 2.902 23.111 1.00 16.37 0.020 A HETATM 10 C12 1F1 B 201 18.824 3.538 25.505 1.00 16.71 0.023 A HETATM 11 N10 1F1 B 201 17.832 1.714 24.147 1.00 16.03 -0.352 N HETATM 12 C9 1F1 B 201 16.821 1.638 23.255 1.00 16.10 0.072 A HETATM 13 H10 1F1 B 201 18.422 0.935 24.440 1.00 0.00 0.166 HD ENDBRANCH 2 4 TORSDOF 1 ENDMDL