REMARK 888 REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) TITLE entry2 MODEL 1 HETATM 1 O3T HXL A 1 -10.514 -5.153 -2.159 1.00 0.00 O HETATM 2 H3T HXL A 1 -10.469 -4.237 -2.445 1.00 0.00 H ATOM 3 P A A 2 -10.147 -5.245 -0.600 1.00 0.00 P ATOM 4 O1P A A 2 -10.211 -6.651 -0.139 1.00 0.00 O ATOM 5 O2P A A 2 -10.978 -4.283 0.157 1.00 0.00 O1- ATOM 6 O5* A A 2 -8.627 -4.749 -0.619 1.00 0.00 O ATOM 7 C5* A A 2 -7.766 -5.179 -1.691 1.00 0.00 C ATOM 8 C4* A A 2 -6.328 -5.229 -1.213 1.00 0.00 C ATOM 9 O4* A A 2 -5.733 -3.908 -1.368 1.00 0.00 O ATOM 10 C3* A A 2 -6.130 -5.563 0.265 1.00 0.00 C ATOM 11 O3* A A 2 -4.821 -6.070 0.506 1.00 0.00 O ATOM 12 C2* A A 2 -6.242 -4.196 0.939 1.00 0.00 C ATOM 13 C1* A A 2 -5.608 -3.278 -0.102 1.00 0.00 C ATOM 14 N9 A A 2 -6.251 -1.937 -0.188 1.00 0.00 N ATOM 15 C8 A A 2 -7.577 -1.599 -0.033 1.00 0.00 C ATOM 16 N7 A A 2 -7.816 -0.332 -0.170 1.00 0.00 N ATOM 17 C5 A A 2 -6.570 0.219 -0.435 1.00 0.00 C ATOM 18 C6 A A 2 -6.149 1.535 -0.679 1.00 0.00 C ATOM 19 N6 A A 2 -6.981 2.587 -0.697 1.00 0.00 N ATOM 20 N1 A A 2 -4.838 1.734 -0.907 1.00 0.00 N ATOM 21 C2 A A 2 -4.017 0.686 -0.887 1.00 0.00 C ATOM 22 N3 A A 2 -4.293 -0.582 -0.672 1.00 0.00 N ATOM 23 C4 A A 2 -5.612 -0.753 -0.448 1.00 0.00 C ATOM 24 1H6 A A 2 -6.637 3.470 -0.871 1.00 0.00 H ATOM 25 2H6 A A 2 -7.911 2.461 -0.539 1.00 0.00 H ATOM 26 1H5* A A 2 -8.067 -6.172 -2.024 1.00 0.00 H ATOM 27 2H5* A A 2 -7.842 -4.478 -2.522 1.00 0.00 H ATOM 28 H4* A A 2 -5.760 -5.918 -1.839 1.00 0.00 H ATOM 29 H3* A A 2 -6.801 -6.375 0.548 1.00 0.00 H ATOM 30 1H2* A A 2 -7.291 -3.968 1.127 1.00 0.00 H ATOM 31 2H2* A A 2 -5.698 -4.210 1.884 1.00 0.00 H ATOM 32 H1* A A 2 -4.558 -3.069 0.099 1.00 0.00 H ATOM 33 H8 A A 2 -8.308 -2.365 0.182 1.00 0.00 H ATOM 34 H2 A A 2 -2.961 0.824 -1.067 1.00 0.00 H HETATM 35 P POT A 3 -4.236 -6.035 1.996 1.00 0.00 P HETATM 36 O1P POT A 3 -3.431 -7.246 2.271 1.00 0.00 O HETATM 37 O2P POT A 3 -5.349 -5.776 2.937 1.00 0.00 O1- HETATM 38 O5T POT A 3 -3.281 -4.754 1.922 1.00 0.00 O HETATM 39 H5T POT A 3 -2.859 -4.620 2.774 1.00 0.00 H HETATM 40 O3T HXL B 1 -1.417 10.993 0.334 1.00 0.00 O HETATM 41 H3T HXL B 1 -2.139 10.453 0.663 1.00 0.00 H ATOM 42 P T B 2 -1.311 10.834 -1.255 1.00 0.00 P ATOM 43 O1P T B 2 -0.203 11.659 -1.785 1.00 0.00 O ATOM 44 O2P T B 2 -2.636 11.063 -1.876 1.00 0.00 O1- ATOM 45 O5* T B 2 -0.928 9.284 -1.355 1.00 0.00 O ATOM 46 C5* T B 2 -0.008 8.729 -0.396 1.00 0.00 C ATOM 47 C4* T B 2 0.745 7.566 -1.012 1.00 0.00 C ATOM 48 O4* T B 2 -0.043 6.352 -0.842 1.00 0.00 O ATOM 49 C3* T B 2 0.987 7.654 -2.519 1.00 0.00 C ATOM 50 O3* T B 2 2.080 6.830 -2.912 1.00 0.00 O ATOM 51 C2* T B 2 -0.293 7.056 -3.102 1.00 0.00 C ATOM 52 C1* T B 2 -0.633 5.978 -2.078 1.00 0.00 C ATOM 53 N1 T B 2 -2.096 5.802 -1.857 1.00 0.00 N ATOM 54 C2 T B 2 -2.542 4.527 -1.607 1.00 0.00 C ATOM 55 O2 T B 2 -1.798 3.562 -1.562 1.00 0.00 O ATOM 56 N3 T B 2 -3.903 4.404 -1.408 1.00 0.00 N ATOM 57 C4 T B 2 -4.831 5.424 -1.436 1.00 0.00 C ATOM 58 O4 T B 2 -6.026 5.190 -1.242 1.00 0.00 O ATOM 59 C5 T B 2 -4.268 6.725 -1.705 1.00 0.00 C ATOM 60 C5M T B 2 -5.208 7.893 -1.755 1.00 0.00 C ATOM 61 C6 T B 2 -2.948 6.875 -1.904 1.00 0.00 C ATOM 62 H3 T B 2 -4.239 3.526 -1.234 1.00 0.00 H ATOM 63 1H5* T B 2 0.704 9.495 -0.091 1.00 0.00 H ATOM 64 2H5* T B 2 -0.559 8.377 0.476 1.00 0.00 H ATOM 65 H4* T B 2 1.686 7.421 -0.482 1.00 0.00 H ATOM 66 H3* T B 2 1.292 8.667 -2.780 1.00 0.00 H ATOM 67 1H2* T B 2 -1.056 7.831 -3.176 1.00 0.00 H ATOM 68 2H2* T B 2 -0.087 6.653 -4.094 1.00 0.00 H ATOM 69 H1* T B 2 -0.277 4.989 -2.367 1.00 0.00 H ATOM 70 1H5M T B 2 -4.647 8.803 -1.965 1.00 0.00 H ATOM 71 2H5M T B 2 -5.946 7.732 -2.540 1.00 0.00 H ATOM 72 3H5M T B 2 -5.715 7.993 -0.795 1.00 0.00 H ATOM 73 H6 T B 2 -2.561 7.864 -2.103 1.00 0.00 H HETATM 74 P POT B 3 2.212 6.421 -4.453 1.00 0.00 P HETATM 75 O1P POT B 3 3.634 6.399 -4.865 1.00 0.00 O HETATM 76 O2P POT B 3 1.319 7.268 -5.275 1.00 0.00 O1- HETATM 77 O5T POT B 3 1.641 4.928 -4.397 1.00 0.00 O HETATM 78 H5T POT B 3 0.719 4.948 -4.129 1.00 0.00 H CONECT 1 3 2 CONECT 74 75 76 77 50 CONECT 74 75 CONECT 75 74 CONECT 75 74 CONECT 76 74 CONECT 77 74 78 CONECT 3 1 4 5 6 CONECT 3 4 CONECT 4 3 CONECT 4 3 CONECT 5 3 CONECT 6 3 7 CONECT 7 6 8 26 27 CONECT 8 7 9 10 28 CONECT 9 8 13 CONECT 10 8 11 12 29 CONECT 11 10 35 CONECT 12 10 13 30 31 CONECT 13 9 12 14 32 CONECT 14 13 15 23 CONECT 15 14 16 33 CONECT 15 16 CONECT 16 15 17 CONECT 16 15 CONECT 17 16 18 23 CONECT 17 23 CONECT 18 17 19 20 CONECT 18 20 CONECT 19 18 24 25 CONECT 20 18 21 CONECT 20 18 CONECT 21 20 22 34 CONECT 21 22 CONECT 22 21 23 CONECT 22 21 CONECT 23 14 17 22 CONECT 23 17 CONECT 24 19 CONECT 25 19 CONECT 42 43 44 45 40 CONECT 42 43 CONECT 43 42 CONECT 43 42 CONECT 44 42 CONECT 45 42 46 CONECT 46 45 47 63 64 CONECT 47 46 48 49 65 CONECT 48 47 52 CONECT 49 47 50 51 66 CONECT 50 74 49 CONECT 51 49 52 67 68 CONECT 52 48 51 53 69 CONECT 53 52 54 61 CONECT 54 53 55 56 CONECT 54 55 CONECT 55 54 CONECT 55 54 CONECT 56 54 57 62 CONECT 57 56 58 59 CONECT 57 58 CONECT 58 57 CONECT 58 57 CONECT 59 57 60 61 CONECT 59 61 CONECT 60 59 70 71 72 CONECT 61 53 59 73 CONECT 61 59 CONECT 62 56 CONECT 35 11 36 37 38 CONECT 35 36 CONECT 36 35 CONECT 36 35 CONECT 37 35 CONECT 38 35 39 CONECT 40 42 41 CONECT 26 7 CONECT 27 7 CONECT 28 8 CONECT 29 10 CONECT 30 12 CONECT 31 12 CONECT 32 13 CONECT 33 15 CONECT 34 21 CONECT 63 46 CONECT 64 46 CONECT 65 47 CONECT 66 49 CONECT 67 51 CONECT 68 51 CONECT 69 52 CONECT 70 60 CONECT 71 60 CONECT 72 60 CONECT 73 61 CONECT 2 1 CONECT 78 77 CONECT 39 38 CONECT 41 40 ENDMDL END