HET GUF A 502 12 HET GUF A 504 12 HETNAM GUF 2-DEOXY-2-FLUORO-BETA-D-GLUCOPYRANURONIC ACID HETSYN GUF 2-DEOXY-2-FLUORO-BETA-GLUCURONIDE; 2-DEOXY-2-FLUORO- HETSYN 2 GUF BETA-D-GLUCURONIC ACID; 2-DEOXY-2-FLUORO-D-GLUCURONIC HETSYN 3 GUF ACID; 2-DEOXY-2-FLUORO-GLUCURONIC ACID FORMUL 3 GUF 2(C6 H9 F O6) LINK C1 GUF A 502 O1 DNF A 503 1555 1555 1.42 LINK C1 GUF A 504 O1 DNF A 505 1555 1555 1.46 HETATM 3594 O6B GUF A 502 47.271 1.840 24.921 1.00 45.96 O HETATM 3595 C6 GUF A 502 46.650 2.569 24.114 1.00 47.44 C HETATM 3596 O6A GUF A 502 46.486 2.323 22.898 1.00 48.46 O HETATM 3597 C5 GUF A 502 45.982 3.850 24.650 1.00 47.08 C HETATM 3598 O5 GUF A 502 45.058 3.498 25.706 1.00 46.69 O HETATM 3599 C4 GUF A 502 47.002 4.872 25.183 1.00 47.00 C HETATM 3600 O4 GUF A 502 47.827 5.313 24.119 1.00 48.41 O HETATM 3601 C3 GUF A 502 46.274 6.100 25.769 1.00 47.13 C HETATM 3602 O3 GUF A 502 47.231 6.951 26.414 1.00 47.23 O HETATM 3603 C2 GUF A 502 45.219 5.682 26.805 1.00 46.34 C HETATM 3604 F2 GUF A 502 44.526 6.791 27.268 1.00 47.01 F HETATM 3605 C1 GUF A 502 44.285 4.596 26.223 1.00 44.31 C HETATM 3619 O6B GUF A 504 41.367 -3.886 16.366 1.00 49.35 O HETATM 3620 C6 GUF A 504 41.263 -4.892 15.613 1.00 49.06 C HETATM 3621 O6A GUF A 504 41.665 -6.057 15.851 1.00 48.89 O HETATM 3622 C5 GUF A 504 40.519 -4.724 14.292 1.00 47.82 C HETATM 3623 O5 GUF A 504 39.345 -5.562 14.379 1.00 46.36 O HETATM 3624 C4 GUF A 504 40.161 -3.253 14.050 1.00 47.58 C HETATM 3625 O4 GUF A 504 41.346 -2.479 13.845 1.00 47.19 O HETATM 3626 C3 GUF A 504 39.315 -3.173 12.809 1.00 48.11 C HETATM 3627 O3 GUF A 504 39.057 -1.781 12.501 1.00 49.89 O HETATM 3628 C2 GUF A 504 38.003 -3.919 13.060 1.00 47.49 C HETATM 3629 F2 GUF A 504 37.211 -3.780 11.977 1.00 49.12 F HETATM 3630 C1 GUF A 504 38.281 -5.415 13.402 1.00 45.92 C HET GUZ A 501 12 HETNAM GUZ 2-DEOXY-2-FLUORO-ALPHA-D-GLUCOPYRANURONIC ACID HETSYN GUZ 2-DEOXY-2-FLUORO-ALPHA-GLUCURONIDE; 2-DEOXY-2-FLUORO- HETSYN 2 GUZ ALPHA-D-GLUCURONIC ACID; 2-DEOXY-2-FLUORO-D-GLUCURONIC HETSYN 3 GUZ ACID; 2-DEOXY-2-FLUORO-GLUCURONIC ACID FORMUL 2 GUZ C6 H9 F O6 LINK OE2 GLU A 287 C1 GUZ A 501 1555 1555 1.44 HETATM 3582 C1 GUZ A 501 33.968 1.133 34.190 1.00 18.01 C HETATM 3583 C2 GUZ A 501 34.714 0.494 33.022 1.00 16.56 C HETATM 3584 F2 GUZ A 501 33.755 0.161 32.085 1.00 22.03 F HETATM 3585 C3 GUZ A 501 35.399 -0.753 33.528 1.00 18.45 C HETATM 3586 O3 GUZ A 501 36.094 -1.381 32.459 1.00 17.73 O HETATM 3587 C4 GUZ A 501 36.357 -0.320 34.637 1.00 17.73 C HETATM 3588 O4 GUZ A 501 36.920 -1.441 35.300 1.00 16.18 O HETATM 3589 C5 GUZ A 501 35.681 0.581 35.684 1.00 18.79 C HETATM 3590 C6 GUZ A 501 36.722 1.194 36.617 1.00 20.91 C HETATM 3591 O6A GUZ A 501 37.255 2.267 36.266 1.00 22.14 O HETATM 3592 O6B GUZ A 501 37.013 0.601 37.686 1.00 19.23 O HETATM 3593 O5 GUZ A 501 34.944 1.627 35.063 1.00 18.20 O HET DNF A 503 13 HET DNF A 505 13 HET DNF A 506 13 HETNAM DNF 2,4-DINITROPHENOL FORMUL 4 DNF 3(C6 H4 N2 O5) LINK C1 GUF A 502 O1 DNF A 503 1555 1555 1.42 LINK C1 GUF A 504 O1 DNF A 505 1555 1555 1.46 HETATM 3606 C1 DNF A 503 42.304 3.528 26.982 1.00 38.23 C HETATM 3607 O1 DNF A 503 43.543 4.022 27.290 1.00 41.17 O HETATM 3608 C2 DNF A 503 41.410 3.360 28.049 1.00 38.36 C HETATM 3609 N2 DNF A 503 41.767 3.675 29.303 1.00 37.71 N HETATM 3610 O21 DNF A 503 40.781 3.967 30.178 1.00 38.89 O HETATM 3611 O22 DNF A 503 43.082 3.610 29.709 1.00 39.35 O HETATM 3612 C3 DNF A 503 40.138 2.860 27.809 1.00 36.14 C HETATM 3613 C4 DNF A 503 39.733 2.510 26.527 1.00 36.69 C HETATM 3614 N4 DNF A 503 38.498 2.025 26.388 1.00 36.71 N HETATM 3615 O41 DNF A 503 38.050 1.587 25.171 1.00 38.52 O HETATM 3616 O42 DNF A 503 37.764 1.936 27.424 1.00 38.05 O HETATM 3617 C5 DNF A 503 40.616 2.670 25.454 1.00 35.69 C HETATM 3618 C6 DNF A 503 41.902 3.170 25.685 1.00 36.93 C HETATM 3631 C1 DNF A 505 37.003 -7.410 14.036 1.00 41.90 C HETATM 3632 O1 DNF A 505 37.061 -6.039 13.917 1.00 43.10 O HETATM 3633 C2 DNF A 505 35.806 -8.030 13.639 1.00 42.25 C HETATM 3634 N2 DNF A 505 34.809 -7.272 13.164 1.00 44.58 N HETATM 3635 O21 DNF A 505 34.195 -7.631 11.880 1.00 47.64 O HETATM 3636 O22 DNF A 505 34.313 -6.185 13.948 1.00 44.26 O HETATM 3637 C3 DNF A 505 35.656 -9.410 13.735 1.00 39.55 C HETATM 3638 C4 DNF A 505 36.693 -10.199 14.236 1.00 39.14 C HETATM 3639 N4 DNF A 505 36.529 -11.529 14.335 1.00 37.58 N HETATM 3640 O41 DNF A 505 37.478 -12.297 15.076 1.00 40.40 O HETATM 3641 O42 DNF A 505 35.370 -12.134 13.761 1.00 37.20 O HETATM 3642 C5 DNF A 505 37.887 -9.585 14.638 1.00 39.39 C HETATM 3643 C6 DNF A 505 38.050 -8.196 14.551 1.00 40.11 C HETATM 3644 C1 DNF A 506 9.538 -12.764 65.183 1.00 60.80 C HETATM 3645 O1 DNF A 506 8.236 -12.743 64.782 1.00 63.03 O HETATM 3646 C2 DNF A 506 9.994 -11.595 65.799 1.00 60.24 C HETATM 3647 N2 DNF A 506 9.121 -10.567 65.915 1.00 60.84 N HETATM 3648 O21 DNF A 506 9.482 -9.317 65.479 1.00 59.77 O HETATM 3649 O22 DNF A 506 7.807 -10.791 66.430 1.00 61.72 O HETATM 3650 C3 DNF A 506 11.317 -11.536 66.251 1.00 58.98 C HETATM 3651 C4 DNF A 506 12.170 -12.642 66.081 1.00 58.68 C HETATM 3652 N4 DNF A 506 13.447 -12.593 66.492 1.00 57.55 N HETATM 3653 O41 DNF A 506 14.379 -13.706 66.069 1.00 57.79 O HETATM 3654 O42 DNF A 506 13.894 -11.471 67.254 1.00 55.70 O HETATM 3655 C5 DNF A 506 11.700 -13.806 65.458 1.00 58.99 C HETATM 3656 C6 DNF A 506 10.382 -13.874 65.017 1.00 60.23 C HET PO4 A 507 5 HET PO4 A 508 5 HETNAM PO4 PHOSPHATE ION FORMUL 8 PO4 2(O4 P 3-) HETATM 3657 P PO4 A 507 42.431 -8.976 39.307 1.00 43.13 P HETATM 3658 O1 PO4 A 507 43.685 -8.976 38.460 1.00 43.06 O HETATM 3659 O2 PO4 A 507 41.547 -7.850 38.826 1.00 41.49 O HETATM 3660 O3 PO4 A 507 41.638 -10.253 39.214 1.00 40.18 O HETATM 3661 O4 PO4 A 507 42.831 -8.758 40.761 1.00 43.61 O HETATM 3662 P PO4 A 508 25.260 -2.722 68.351 1.00 55.72 P HETATM 3663 O1 PO4 A 508 25.616 -1.990 67.057 1.00 54.20 O HETATM 3664 O2 PO4 A 508 24.376 -1.835 69.213 1.00 55.25 O HETATM 3665 O3 PO4 A 508 24.571 -4.024 68.023 1.00 54.95 O HETATM 3666 O4 PO4 A 508 26.490 -3.084 69.156 1.00 56.52 O