REMARK HEME PQR. Structure from carbomonoxy myoglobin PDB ID 2MB5 REMARK AMBER charges. Bondi radii REMARK The CO (COL) ligand is attached. Simple dipole model is used. REMARK ATOM 2464 FE HEM 154 40.647 47.260 33.621 0.2500 1.000 ATOM 2465 NA HEM 154 40.976 48.521 35.159 -0.1800 1.550 ATOM 2466 C1A HEM 154 41.471 49.818 35.078 0.0300 1.700 ATOM 2467 C2A HEM 154 41.342 50.473 36.369 -0.0200 1.700 ATOM 2468 CAA HEM 154 41.751 51.916 36.717 -0.1600 1.700 ATOM 2469 1HP7 HEM 154 42.095 51.913 37.720 0.1000 1.200 ATOM 2470 2HP7 HEM 154 42.728 52.249 36.429 0.1000 1.200 ATOM 2471 CBA HEM 154 40.977 53.158 36.326 -0.3000 1.700 ATOM 2472 3HP7 HEM 154 41.495 53.696 35.666 0.1000 1.200 ATOM 2473 4HP7 HEM 154 40.593 53.500 37.197 0.1000 1.200 ATOM 2474 CGA HEM 154 39.606 53.166 35.711 0.3000 1.700 ATOM 2475 O1A HEM 154 38.897 54.192 35.863 -0.5000 1.500 ATOM 2476 O2A HEM 154 39.183 52.175 35.064 -0.5000 1.500 ATOM 2477 C3A HEM 154 40.784 49.586 37.192 0.0200 1.700 ATOM 2478 CMA HEM 154 40.405 49.708 38.688 -0.2650 1.700 ATOM 2479 1HM8 HEM 154 39.546 49.210 38.996 0.0750 1.200 ATOM 2480 2HM8 HEM 154 41.214 49.343 39.285 0.0750 1.200 ATOM 2481 3HM8 HEM 154 40.267 50.675 39.101 0.0750 1.200 ATOM 2482 C4A HEM 154 40.545 48.356 36.465 0.0200 1.700 ATOM 2483 CHB HEM 154 39.985 47.223 37.010 -0.1100 1.700 ATOM 2484 HDM HEM 154 39.711 47.262 37.986 0.1500 1.200 ATOM 2485 C1B HEM 154 39.630 46.102 36.284 0.0300 1.700 ATOM 2486 NB HEM 154 39.911 45.918 34.937 -0.1800 1.550 ATOM 2487 C2B HEM 154 38.939 44.943 36.820 0.0200 1.700 ATOM 2488 CMB HEM 154 38.488 44.805 38.293 -0.2650 1.700 ATOM 2489 1HM1 HEM 154 37.446 44.705 38.415 0.0750 1.200 ATOM 2490 2HM1 HEM 154 38.754 44.027 38.954 0.0750 1.200 ATOM 2491 3HM1 HEM 154 38.649 45.602 38.956 0.0750 1.200 ATOM 2492 C3B HEM 154 38.796 44.067 35.820 -0.0500 1.700 ATOM 2493 CAB HEM 154 38.127 42.681 35.812 -0.1300 1.700 ATOM 2494 2HVA HEM 154 37.293 42.261 35.274 0.1500 1.200 ATOM 2495 CBB HEM 154 38.483 41.615 36.541 -0.3000 1.700 ATOM 2496 2HVC HEM 154 39.343 41.702 37.254 0.1000 1.200 ATOM 2497 2HVT HEM 154 38.022 40.593 36.638 0.1000 1.200 ATOM 2498 C4B HEM 154 39.391 44.673 34.649 0.0200 1.700 ATOM 2499 CHC HEM 154 39.467 44.149 33.376 -0.1100 1.700 ATOM 2500 HAM HEM 154 39.048 43.234 33.281 0.1500 1.200 ATOM 2501 C1C HEM 154 39.939 44.695 32.201 0.0300 1.700 ATOM 2502 NC HEM 154 40.436 45.985 32.069 -0.1800 1.550 ATOM 2503 C2C HEM 154 40.186 43.965 30.979 0.0200 1.700 ATOM 2504 CMC HEM 154 39.899 42.451 30.850 -0.2650 1.700 ATOM 2505 1HM3 HEM 154 38.990 42.261 31.360 0.0750 1.200 ATOM 2506 2HM3 HEM 154 39.786 42.066 29.864 0.0750 1.200 ATOM 2507 3HM3 HEM 154 40.554 41.783 31.353 0.0750 1.200 ATOM 2508 C3C HEM 154 40.821 44.792 30.135 -0.0500 1.700 ATOM 2509 CAC HEM 154 41.378 44.483 28.729 -0.1200 1.700 ATOM 2510 4HVA HEM 154 41.824 45.265 28.181 0.1500 1.200 ATOM 2511 CBC HEM 154 41.046 43.428 27.987 -0.3000 1.700 ATOM 2512 4HVC HEM 154 40.544 42.461 27.993 0.1000 1.200 ATOM 2513 4HVT HEM 154 41.188 43.534 26.926 0.1000 1.200 ATOM 2514 C4C HEM 154 41.006 46.058 30.816 0.0200 1.700 ATOM 2515 CHD HEM 154 41.394 47.245 30.228 -0.1100 1.700 ATOM 2516 HBM HEM 154 41.682 47.237 29.264 0.1500 1.200 ATOM 2517 C1D HEM 154 41.793 48.330 30.985 0.0300 1.700 ATOM 2518 ND HEM 154 41.483 48.556 32.315 -0.1800 1.550 ATOM 2519 C2D HEM 154 42.611 49.420 30.493 0.0200 1.700 ATOM 2520 CMD HEM 154 43.140 49.505 29.039 -0.2650 1.700 ATOM 2521 1HM5 HEM 154 42.577 50.235 28.458 0.0750 1.200 ATOM 2522 2HM5 HEM 154 44.121 49.885 29.054 0.0750 1.200 ATOM 2523 3HM5 HEM 154 43.100 48.485 28.706 0.0750 1.200 ATOM 2524 C3D HEM 154 42.787 50.263 31.506 -0.0200 1.700 ATOM 2525 C4D HEM 154 42.083 49.753 32.662 0.0200 1.700 ATOM 2526 CHA HEM 154 42.004 50.327 33.910 -0.1100 1.700 ATOM 2527 HGM HEM 154 42.478 51.268 34.036 0.1500 1.200 ATOM 2528 CAD HEM 154 43.575 51.591 31.544 -0.1600 1.700 ATOM 2529 1HP6 HEM 154 43.303 51.780 30.518 0.1000 1.200 ATOM 2530 2HP6 HEM 154 43.331 52.140 32.426 0.1000 1.200 ATOM 2531 CBD HEM 154 45.059 51.474 31.904 -0.3000 1.700 ATOM 2532 3HP6 HEM 154 44.956 50.843 32.757 0.1000 1.200 ATOM 2533 4HP6 HEM 154 45.581 50.637 31.470 0.1000 1.200 ATOM 2534 CGD HEM 154 45.692 52.846 31.876 0.3000 1.700 ATOM 2535 O1D HEM 154 46.066 53.278 30.748 -0.5000 1.500 ATOM 2536 O2D HEM 154 45.769 53.448 32.980 -0.5000 1.500 ATOM 2537 C COL 155 42.378 46.066 33.862 0.0210 1.700 ATOM 2538 O COL 155 42.849 44.952 33.770 -0.0210 1.500 TER