REMARK 14 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: N1_1 and C31_43 REMARK 2 A between atoms: C2_3 and C3_4 REMARK I between atoms: C3_4 and N2_6 REMARK 3 A between atoms: N2_6 and C4_8 REMARK 4 A between atoms: N3_12 and C10_15 REMARK 5 A between atoms: C10_15 and C11_16 REMARK 6 A between atoms: C11_16 and O2_17 REMARK 7 A between atoms: C11_16 and C12_19 REMARK 8 A between atoms: C12_19 and C13_20 REMARK 9 A between atoms: C13_20 and C21_28 REMARK 10 A between atoms: C13_20 and C14_21 REMARK 11 A between atoms: C14_21 and C15_22 REMARK I between atoms: C21_28 and N4_30 REMARK 12 A between atoms: N4_30 and C22_32 REMARK 13 A between atoms: C23_33 and O4_34 REMARK 14 A between atoms: C31_43 and C32_44 ROOT HETATM 1 N1 MK1 B 902 9.280 23.763 3.004 1.00 28.25 0.096 N HETATM 2 C1 MK1 B 902 9.498 23.983 4.459 1.00 30.30 0.307 C HETATM 3 C2 MK1 B 902 10.591 24.905 4.962 1.00 27.27 0.200 C HETATM 4 N3 MK1 B 902 11.819 24.282 4.355 1.00 28.91 -0.395 N HETATM 5 C8 MK1 B 902 11.753 23.776 2.961 1.00 26.24 0.148 C HETATM 6 C9 MK1 B 902 10.440 23.182 2.493 1.00 27.47 0.292 C ENDROOT BRANCH 1 7 HETATM 7 C31 MK1 B 902 8.033 23.100 2.604 1.00 36.25 0.312 C BRANCH 7 8 HETATM 8 C32 MK1 B 902 6.666 23.739 2.876 1.00 42.75 -0.015 A HETATM 9 C36 MK1 B 902 5.905 23.211 3.897 1.00 44.71 0.011 A HETATM 10 C35 MK1 B 902 4.654 23.774 4.136 1.00 49.34 0.018 A HETATM 11 C34 MK1 B 902 4.207 24.839 3.348 1.00 50.60 0.087 A HETATM 12 N5 MK1 B 902 4.911 25.430 2.300 1.00 51.38 -0.375 N HETATM 13 C33 MK1 B 902 6.158 24.808 2.124 1.00 47.41 0.096 A HETATM 14 H5 MK1 B 902 4.567 26.208 1.737 1.00 0.00 0.164 HD ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 3 15 HETATM 15 C3 MK1 B 902 10.591 24.864 6.466 1.00 28.85 0.242 C HETATM 16 O1 MK1 B 902 10.937 23.849 7.057 1.00 29.59 -0.271 OA HETATM 17 N2 MK1 B 902 10.193 25.953 7.094 1.00 22.29 -0.351 N HETATM 18 H2 MK1 B 902 9.867 26.704 6.485 1.00 0.00 0.163 HD BRANCH 17 19 HETATM 19 C4 MK1 B 902 10.145 26.250 8.490 1.00 23.47 0.022 C HETATM 20 C7 MK1 B 902 9.364 25.283 9.268 1.00 22.75 0.037 C HETATM 21 C5 MK1 B 902 9.379 27.577 8.641 1.00 27.66 0.037 C HETATM 22 C6 MK1 B 902 11.398 26.347 9.074 1.00 21.71 0.037 C ENDBRANCH 17 19 ENDBRANCH 3 15 BRANCH 4 23 HETATM 23 C10 MK1 B 902 13.083 24.963 4.552 1.00 20.86 0.149 C BRANCH 23 24 HETATM 24 C11 MK1 B 902 14.203 24.064 5.078 1.00 21.68 0.136 C BRANCH 24 25 HETATM 25 O2 MK1 B 902 15.242 24.884 4.634 1.00 15.87 -0.394 OA HETATM 26 H2 MK1 B 902 15.096 25.071 3.714 1.00 0.00 0.210 HD ENDBRANCH 24 25 BRANCH 24 27 HETATM 27 C12 MK1 B 902 14.440 23.761 6.569 1.00 21.49 0.047 C BRANCH 27 28 HETATM 28 C13 MK1 B 902 15.573 22.821 7.005 1.00 26.89 0.084 C BRANCH 28 29 HETATM 29 C21 MK1 B 902 15.447 21.440 6.373 1.00 29.35 0.222 C HETATM 30 N4 MK1 B 902 16.583 20.913 5.924 1.00 31.19 -0.350 N HETATM 31 H4 MK1 B 902 17.397 21.515 5.801 1.00 0.00 0.163 HD HETATM 32 O3 MK1 B 902 14.367 20.831 6.397 1.00 32.66 -0.273 OA BRANCH 30 33 HETATM 33 C22 MK1 B 902 16.692 19.500 5.604 1.00 29.22 0.147 C HETATM 34 C30 MK1 B 902 16.504 19.061 4.128 1.00 31.86 -0.027 A HETATM 35 C29 MK1 B 902 15.683 19.479 3.129 1.00 27.70 0.010 A HETATM 36 C25 MK1 B 902 17.476 17.904 3.760 1.00 31.29 -0.047 A HETATM 37 C28 MK1 B 902 15.722 18.906 1.865 1.00 29.01 0.001 A HETATM 38 C27 MK1 B 902 16.613 17.872 1.541 1.00 28.00 0.001 A HETATM 39 C26 MK1 B 902 17.500 17.363 2.496 1.00 32.00 0.008 A HETATM 40 C24 MK1 B 902 18.226 17.726 5.057 1.00 32.05 0.073 C HETATM 41 C23 MK1 B 902 18.067 18.945 5.936 1.00 28.82 0.149 C BRANCH 41 42 HETATM 42 O4 MK1 B 902 19.061 19.938 5.729 1.00 28.32 -0.393 OA HETATM 43 H4 MK1 B 902 19.921 19.591 5.937 1.00 0.00 0.210 HD ENDBRANCH 41 42 ENDBRANCH 30 33 ENDBRANCH 28 29 BRANCH 28 44 HETATM 44 C14 MK1 B 902 15.644 22.664 8.534 1.00 28.67 0.052 C BRANCH 44 45 HETATM 45 C15 MK1 B 902 16.733 21.750 8.961 1.00 26.89 -0.057 A HETATM 46 C16 MK1 B 902 18.058 21.916 8.553 1.00 29.22 0.007 A HETATM 47 C17 MK1 B 902 19.037 21.016 8.947 1.00 29.22 0.001 A HETATM 48 C18 MK1 B 902 18.673 19.939 9.758 1.00 30.97 0.000 A HETATM 49 C19 MK1 B 902 17.347 19.773 10.176 1.00 29.25 0.001 A HETATM 50 C20 MK1 B 902 16.374 20.687 9.772 1.00 29.96 0.007 A ENDBRANCH 44 45 ENDBRANCH 28 44 ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 14