HET TPO A 18 11 HET APC A 421 31 HET AG2 A 422 9 HETNAM TPO PHOSPHOTHREONINE HETNAM APC DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER HETNAM AG2 AGMATINE HETSYN TPO PHOSPHONOTHREONINE HETSYN APC ALPHA,BETA-METHYLENEADENOSINE-5'-TRIPHOSPHATE HETSYN AG2 (4-AMINOBUTYL)GUANIDINE FORMUL 1 TPO C4 H10 N O6 P FORMUL 3 APC C11 H18 N5 O12 P3 FORMUL 4 AG2 C5 H14 N4 LINK C CYS A 17 N TPO A 18 1555 1555 1.33 LINK C TPO A 18 N THR A 19 1555 1555 1.33 HETATM 142 N TPO A 18 50.909 -21.508 -8.310 1.00 52.08 N HETATM 143 CA TPO A 18 52.333 -21.794 -8.088 1.00 48.81 C HETATM 144 CB TPO A 18 52.597 -22.190 -6.632 1.00 48.71 C HETATM 145 CG2 TPO A 18 54.053 -22.613 -6.428 1.00 47.66 C HETATM 146 OG1 TPO A 18 52.220 -21.139 -5.735 1.00 46.68 O HETATM 147 P TPO A 18 51.061 -21.438 -4.648 1.00 48.16 P HETATM 148 O1P TPO A 18 49.807 -21.958 -5.245 1.00 47.08 O HETATM 149 O2P TPO A 18 51.691 -22.500 -3.611 1.00 46.85 O HETATM 150 O3P TPO A 18 50.833 -20.073 -3.819 1.00 47.99 O HETATM 151 C TPO A 18 52.794 -22.916 -9.042 1.00 46.70 C HETATM 152 O TPO A 18 53.967 -22.976 -9.408 1.00 45.39 O HETATM 4915 PG APC A 421 47.219 -21.267 -4.095 1.00 61.18 P HETATM 4916 O1G APC A 421 47.234 -20.187 -5.113 1.00 59.77 O HETATM 4917 O2G APC A 421 45.873 -21.300 -3.198 1.00 60.53 O HETATM 4918 O3G APC A 421 47.362 -22.742 -4.743 1.00 59.76 O HETATM 4919 PB APC A 421 48.686 -22.515 -2.184 1.00 51.16 P HETATM 4920 O1B APC A 421 47.448 -23.207 -1.760 1.00 53.84 O HETATM 4921 O2B APC A 421 50.012 -23.157 -2.338 1.00 50.90 O HETATM 4922 O3B APC A 421 48.415 -21.164 -3.017 1.00 56.66 O HETATM 4923 PA APC A 421 50.597 -20.957 -0.756 1.00 47.07 P HETATM 4924 O1A APC A 421 50.530 -19.727 -1.580 1.00 47.86 O HETATM 4925 O2A APC A 421 51.445 -22.091 -1.196 1.00 47.11 O HETATM 4926 C3A APC A 421 48.919 -21.608 -0.640 1.00 48.65 C HETATM 4927 O5' APC A 421 50.988 -20.627 0.771 1.00 45.06 O HETATM 4928 C5' APC A 421 50.950 -21.697 1.717 1.00 43.59 C HETATM 4929 C4' APC A 421 51.838 -21.388 2.924 1.00 42.49 C HETATM 4930 O4' APC A 421 51.551 -22.353 3.954 1.00 41.52 O HETATM 4931 C3' APC A 421 53.305 -21.585 2.534 1.00 41.29 C HETATM 4932 O3' APC A 421 54.143 -20.794 3.381 1.00 42.75 O HETATM 4933 C2' APC A 421 53.497 -23.052 2.911 1.00 39.87 C HETATM 4934 O2' APC A 421 54.891 -23.291 3.117 1.00 39.45 O HETATM 4935 C1' APC A 421 52.808 -22.970 4.272 1.00 39.49 C HETATM 4936 N9 APC A 421 52.597 -24.306 4.863 1.00 37.89 N HETATM 4937 C8 APC A 421 52.494 -25.462 4.207 1.00 36.94 C HETATM 4938 N7 APC A 421 52.355 -26.455 5.080 1.00 36.21 N HETATM 4939 C5 APC A 421 52.368 -25.927 6.304 1.00 35.53 C HETATM 4940 C6 APC A 421 52.283 -26.451 7.586 1.00 36.07 C HETATM 4941 N6 APC A 421 52.225 -27.769 7.769 1.00 37.14 N HETATM 4942 N1 APC A 421 52.328 -25.613 8.629 1.00 36.29 N HETATM 4943 C2 APC A 421 52.458 -24.307 8.459 1.00 34.73 C HETATM 4944 N3 APC A 421 52.551 -23.775 7.254 1.00 34.78 N HETATM 4945 C4 APC A 421 52.512 -24.559 6.167 1.00 35.66 C HETATM 4946 N AG2 A 422 36.621 -27.785 -5.356 1.00 40.69 N HETATM 4947 CA AG2 A 422 36.324 -29.209 -5.136 1.00 42.07 C HETATM 4948 CB AG2 A 422 36.413 -29.999 -6.446 1.00 41.54 C HETATM 4949 CG AG2 A 422 37.802 -29.912 -7.084 1.00 40.67 C HETATM 4950 CD AG2 A 422 37.875 -30.749 -8.363 1.00 39.37 C HETATM 4951 NE AG2 A 422 39.131 -30.475 -9.079 1.00 38.76 N HETATM 4952 CZ AG2 A 422 39.577 -31.307 -10.018 1.00 37.21 C HETATM 4953 NH1 AG2 A 422 38.902 -32.409 -10.330 1.00 34.87 N HETATM 4954 NH2 AG2 A 422 40.701 -31.028 -10.670 1.00 36.79 N CONECT 142 143 CONECT 143 142 144 151 CONECT 144 143 145 146 CONECT 145 144 CONECT 146 144 147 CONECT 147 146 148 149 150 CONECT 148 147 CONECT 149 147 CONECT 150 147 CONECT 151 143 152 153 CONECT 152 151 CONECT 153 151 CONECT 4915 4916 4917 4918 4922 CONECT 4916 4915 CONECT 4917 4915 CONECT 4918 4915 CONECT 4919 4920 4921 4922 4926 CONECT 4920 4919 CONECT 4921 4919 CONECT 4922 4915 4919 CONECT 4923 4924 4925 4926 4927 CONECT 4924 4923 CONECT 4925 4923 CONECT 4926 4919 4923 CONECT 4927 4923 4928 CONECT 4928 4927 4929 CONECT 4929 4928 4930 4931 CONECT 4930 4929 4935 CONECT 4931 4929 4932 4933 CONECT 4932 4931 CONECT 4933 4931 4934 4935 CONECT 4934 4933 CONECT 4935 4930 4933 4936 CONECT 4936 4935 4937 4945 CONECT 4937 4936 4938 CONECT 4938 4937 4939 CONECT 4939 4938 4940 4945 CONECT 4940 4939 4941 4942 CONECT 4941 4940 CONECT 4942 4940 4943 CONECT 4943 4942 4944 CONECT 4944 4943 4945 CONECT 4945 4936 4939 4944 CONECT 4946 4947 CONECT 4947 4946 4948 CONECT 4948 4947 4949 CONECT 4949 4948 4950 CONECT 4950 4949 4951 CONECT 4951 4950 4952 CONECT 4952 4951 4953 4954 CONECT 4953 4952 CONECT 4954 4952