id summary reporter owner description type status priority milestone component version resolution keywords cc blockedby blocking notify_on_close platform project 15002 Crashed in QTabBar::paintEvent(), QPainter::begin: Paint device returned engine == 0 chimerax-bug-report@… Eric Pettersen "{{{ The following bug report has been submitted: Platform: macOS-14.2.1-arm64-arm-64bit ChimeraX Version: 1.6.1 (2023-05-09 17:57:07 UTC) Description Last time you used ChimeraX it crashed. Please describe steps that led to the crash here. Fatal Python error: Segmentation fault Thread 0x000000028d097000 (most recent call first): File ""/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/multiprocessing/pool.py"", line 576 in _handle_results File ""/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py"", line 910 in run File ""/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py"", line 973 in _bootstrap_inner File ""/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py"", line 930 in _bootstrap Thread 0x000000028c08b000 (most recent call first): File ""/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/multiprocessing/pool.py"", line 528 in _handle_tasks File ""/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py"", line 910 in run File ""/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py"", line 973 in _bootstrap_inner File ""/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py"", line 930 in _bootstrap Thread 0x000000028b07f000 (most recent call first): File ""/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/selectors.py"", line 416 in select File ""/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/multiprocessing/connection.py"", line 936 in wait File ""/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/multiprocessing/pool.py"", line 499 in _wait_for_updates File 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""/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py"", line 973 in _bootstrap_inner File ""/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py"", line 930 in _bootstrap Thread 0x0000000289067000 (most recent call first): File ""/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/multiprocessing/pool.py"", line 114 in worker File ""/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py"", line 910 in run File ""/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py"", line 973 in _bootstrap_inner File ""/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py"", line 930 in _bootstrap Thread 0x000000028805b000 (most recent call first): File ""/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/multiprocessing/pool.py"", line 114 in worker File ""/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py"", line 910 in run File ""/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py"", line 973 in _bootstrap_inner File ""/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py"", line 930 in _bootstrap Thread 0x000000028704f000 (most recent call first): File ""/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/multiprocessing/pool.py"", line 114 in worker File ""/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py"", line 910 in run File ""/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py"", line 973 in _bootstrap_inner File ""/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py"", line 930 in _bootstrap Thread 0x0000000286043000 (most recent call first): File ""/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/multiprocessing/pool.py"", line 114 in worker File ""/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py"", line 910 in run File ""/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py"", line 973 in _bootstrap_inner File ""/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py"", line 930 in _bootstrap Thread 0x0000000285037000 (most recent call first): File ""/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/multiprocessing/pool.py"", line 114 in worker File ""/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py"", line 910 in run File ""/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py"", line 973 in _bootstrap_inner File ""/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py"", line 930 in _bootstrap Thread 0x000000028402b000 (most recent call first): File ""/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/multiprocessing/pool.py"", line 114 in worker File ""/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py"", line 910 in run File 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fault""},""pc"":{""value"":6661328424},""far"":{""value"":0}}},{""id"":3888453,""frames"":[{""imageOffset"":7720,""symbol"":""start_wqthread"",""symbolLocation"":0,""imageIndex"":152}],""threadState"":{""x"":[{""value"":6107246592},{""value"":0},{""value"":6106710016},{""value"":6107245440},{""value"":5062660},{""value"":1},{""value"":0},{""value"":0},{""value"":0},{""value"":0},{""value"":0},{""value"":0},{""value"":0},{""value"":0},{""value"":0},{""value"":0},{""value"":0},{""value"":0},{""value"":0},{""value"":0},{""value"":0},{""value"":0},{""value"":0},{""value"":0},{""value"":0},{""value"":0},{""value"":0},{""value"":0},{""value"":0}],""flavor"":""ARM_THREAD_STATE64"",""lr"":{""value"":0},""cpsr"":{""value"":4096},""fp"":{""value"":0},""sp"":{""value"":6107245424},""esr"":{""value"":0,""description"":"" Address size fault""},""pc"":{""value"":6661328424},""far"":{""value"":0}}}], [deleted to fit within ticket limits] 2obv #3/A HOH 733 O 4ndn #1/D VAL 251 O no hydrogen 3.397 N/A 2obv #3/A HOH 733 O 2obv #3/A ALA 96 O no hydrogen 2.985 N/A 2obv #3/A HOH 733 O 2obv #3/A VAL 251 O no hydrogen 3.044 N/A 2obv #3/A HOH 733 O 2obv #3/A HOH 686 O no hydrogen 2.699 N/A 2obv #3/A HOH 733 O 2obv #3/A HOH 786 O no hydrogen 2.621 N/A 2obv #3/A HOH 734 O 4ndn #1/D SER 384 O no hydrogen 2.416 N/A 2obv #3/A HOH 734 O 2obv #3/A GLU 384 O no hydrogen 2.751 N/A 2obv #3/A HOH 734 O 2obv #3/A HOH 718 O no hydrogen 3.237 N/A 2obv #3/A HOH 735 O 4ndn #1/A THR 103 O no hydrogen 3.556 N/A 2obv #3/A HOH 735 O 4ndn #1/D GLY 98 O no hydrogen 2.756 N/A 2obv #3/A HOH 735 O 4ndn #1/D HOH 525 O no hydrogen 2.712 N/A 2obv #3/A HOH 735 O 2obv #3/A GLY 98 O no hydrogen 2.729 N/A 2obv #3/A HOH 735 O 2obv #3/A HOH 765 O no hydrogen 2.985 N/A 2obv #3/A HOH 736 O 4ndn #1/C HOH 508 O no hydrogen 2.929 N/A 2obv #3/A HOH 736 O 4ndn #1/D HIS 277 O no hydrogen 3.620 N/A 2obv #3/A HOH 736 O 4ndn #1/D HOH 534 O no hydrogen 0.125 N/A 2obv #3/A HOH 736 O 4ndn #1/D HOH 607 O no hydrogen 2.878 N/A 2obv #3/A HOH 737 O 4ndn #1/D GLU 344 O no hydrogen 3.007 N/A 2obv #3/A HOH 737 O 2obv #3/A GLU 344 O no hydrogen 2.871 N/A 2obv #3/A HOH 737 O 2obv #3/A HOH 740 O no hydrogen 2.704 N/A 2obv #3/A HOH 737 O 2obv #3/A HOH 850 O no hydrogen 2.942 N/A 2obv #3/A HOH 738 O 2obv #3/A PG4 603 O1 no hydrogen 2.927 N/A 2obv #3/A HOH 739 O 4ndn #1/D ASP 116 OD1 no hydrogen 3.379 N/A 2obv #3/A HOH 739 O 4ndn #1/D ASP 116 OD2 no hydrogen 3.164 N/A 2obv #3/A HOH 739 O 2obv #3/A ASP 116 OD1 no hydrogen 3.038 N/A 2obv #3/A HOH 739 O 2obv #3/A ASP 116 OD2 no hydrogen 3.395 N/A 2obv #3/A HOH 740 O 2obv #3/A ASP 347 OD2 no hydrogen 2.740 N/A 2obv #3/A HOH 740 O 2obv #3/A HOH 737 O no hydrogen 2.704 N/A 2obv #3/A HOH 741 O 4ndn #1/D LYS 102 O no hydrogen 3.205 N/A 2obv #3/A HOH 741 O 4ndn #1/D HOH 550 O no hydrogen 0.882 N/A 2obv #3/A HOH 741 O 2obv #3/A LYS 102 O no hydrogen 2.919 N/A 2obv #3/A HOH 742 O 4ndn #1/D GLY 91 O no hydrogen 3.309 N/A 2obv #3/A HOH 742 O 4ndn #1/D HOH 570 O no hydrogen 2.259 N/A 2obv #3/A HOH 742 O 2obv #3/A GLY 91 O no hydrogen 3.015 N/A 2obv #3/A HOH 742 O 2obv #3/A HOH 802 O no hydrogen 2.383 N/A 2obv #3/A HOH 743 O 4ndn #1/D ASP 354 OD2 no hydrogen 2.601 N/A 2obv #3/A HOH 743 O 2obv #3/A ASP 354 OD2 no hydrogen 2.623 N/A 2obv #3/A HOH 743 O 2obv #3/A HOH 792 O no hydrogen 3.002 N/A 2obv #3/A HOH 743 O 2obv #3/A HOH 810 O no hydrogen 2.703 N/A 2obv #3/A HOH 744 O 4ndn #1/D SER 338 O no hydrogen 2.762 N/A 2obv #3/A HOH 744 O 4ndn #1/E HOH 521 O no hydrogen 3.384 N/A 2obv #3/A HOH 744 O 2obv #3/A SER 338 O no hydrogen 2.711 N/A 2obv #3/A HOH 744 O 2obv #3/A SER 338 OG no hydrogen 3.094 N/A 2obv #3/A HOH 744 O 2obv #3/A HOH 673 O no hydrogen 3.084 N/A 2obv #3/A HOH 745 O 4ndn #1/D PHE 353 O no hydrogen 3.246 N/A 2obv #3/A HOH 745 O 4ndn #1/D HOH 517 O no hydrogen 0.217 N/A 2obv #3/A HOH 745 O 4ndn #1/D HOH 552 O no hydrogen 2.408 N/A 2obv #3/A HOH 745 O 2obv #3/A HIS 350 ND1 no hydrogen 3.091 N/A 2obv #3/A HOH 745 O 2obv #3/A PHE 353 O no hydrogen 3.274 N/A 2obv #3/A HOH 745 O 2obv #3/A HOH 808 O no hydrogen 2.306 N/A 2obv #3/A HOH 745 O 2obv #3/A HOH 809 O no hydrogen 2.801 N/A 2obv #3/A HOH 746 O 4ndn #1/D THR 270 OG1 no hydrogen 2.750 N/A 2obv #3/A HOH 746 O 4ndn #1/D ALA 276 O no hydrogen 3.137 N/A 2obv #3/A HOH 746 O 4ndn #1/D HOH 541 O no hydrogen 2.254 N/A 2obv #3/A HOH 746 O 4ndn #1/D HOH 546 O no hydrogen 3.343 N/A 2obv #3/A HOH 746 O 2obv #3/A THR 270 OG1 no hydrogen 2.967 N/A 2obv #3/A HOH 746 O 2obv #3/A ALA 276 O no hydrogen 2.929 N/A 2obv #3/A HOH 746 O 2obv #3/A HOH 630 O no hydrogen 2.468 N/A 2obv #3/A HOH 747 O 4ndn #1/D GLU 57 OE2 no hydrogen 2.787 N/A 2obv #3/A HOH 747 O 4ndn #1/D SER 283 O no hydrogen 2.747 N/A 2obv #3/A HOH 747 O 4ndn #1/D HOH 521 O no hydrogen 2.848 N/A 2obv #3/A HOH 747 O 4ndn #1/D HOH 527 O no hydrogen 0.394 N/A 2obv #3/A HOH 747 O 2obv #3/A GLU 57 OE1 no hydrogen 2.744 N/A 2obv #3/A HOH 747 O 2obv #3/A GLU 57 OE2 no hydrogen 3.428 N/A 2obv #3/A HOH 747 O 2obv #3/A SER 283 O no hydrogen 2.677 N/A 2obv #3/A HOH 747 O 2obv #3/A HOH 635 O no hydrogen 2.692 N/A 2obv #3/A HOH 748 O 4ndn #1/D HOH 539 O no hydrogen 3.142 N/A 2obv #3/A HOH 748 O 2obv #3/A HOH 629 O no hydrogen 3.141 N/A 2obv #3/A HOH 749 O 4ndn #1/D ASP 49 OD1 no hydrogen 2.646 N/A 2obv #3/A HOH 749 O 4ndn #1/D ASP 51 OD2 no hydrogen 3.182 N/A 2obv #3/A HOH 749 O 2obv #3/A ASP 49 OD1 no hydrogen 2.495 N/A 2obv #3/A HOH 750 O 4ndn #1/D ILE 71 O no hydrogen 2.986 N/A 2obv #3/A HOH 750 O 4ndn #1/D SER 73 O no hydrogen 3.528 N/A 2obv #3/A HOH 750 O 4ndn #1/D HOH 590 O no hydrogen 0.493 N/A 2obv #3/A HOH 750 O 2obv #3/A ILE 71 O no hydrogen 3.220 N/A 2obv #3/A HOH 750 O 2obv #3/A SER 73 O no hydrogen 3.310 N/A 2obv #3/A HOH 750 O 2obv #3/A GLN 112 OE1 no hydrogen 2.966 N/A 2obv #3/A HOH 750 O 2obv #3/A HOH 719 O no hydrogen 3.336 N/A 2obv #3/A HOH 751 O 4ndn #1/C GLY 279 O no hydrogen 3.312 N/A 2obv #3/A HOH 751 O 4ndn #1/D ARG 264 O no hydrogen 2.427 N/A 2obv #3/A HOH 751 O 4ndn #1/D HOH 537 O no hydrogen 3.265 N/A 2obv #3/A HOH 751 O 2obv #3/A ARG 264 O no hydrogen 2.783 N/A 2obv #3/A HOH 751 O 2obv #3/A HOH 801 O no hydrogen 3.366 N/A 2obv #3/A HOH 752 O 4ndn #1/C PPK 404 O1G no hydrogen 0.660 N/A 2obv #3/A HOH 752 O 2obv #3/A ASP 291 OD2 no hydrogen 3.453 N/A 2obv #3/A HOH 753 O 2obv #3/A SAM 501 O no hydrogen 2.686 N/A 2obv #3/A HOH 754 O 4ndn #1/D PRO 327 O no hydrogen 3.072 N/A 2obv #3/A HOH 754 O 2obv #3/A PRO 327 O no hydrogen 2.992 N/A 2obv #3/A HOH 755 O 4ndn #1/D HOH 580 O no hydrogen 0.465 N/A 2obv #3/A HOH 755 O 2obv #3/A HOH 691 O no hydrogen 3.002 N/A 2obv #3/A HOH 755 O 2obv #3/A HOH 692 O no hydrogen 2.644 N/A 2obv #3/A HOH 756 O 2obv #3/A GLU 216 OE2 no hydrogen 2.625 N/A 2obv #3/A HOH 757 O 4ndn #1/D GLU 342 OE2 no hydrogen 3.521 N/A 2obv #3/A HOH 757 O 2obv #3/A GLU 342 OE2 no hydrogen 3.348 N/A 2obv #3/A HOH 758 O 4ndn #1/D ASP 31 OD1 no hydrogen 2.153 N/A 2obv #3/A HOH 758 O 4ndn #1/D ASP 31 OD2 no hydrogen 3.171 N/A 2obv #3/A HOH 758 O 4ndn #1/D ALA 259 O no hydrogen 3.409 N/A 2obv #3/A HOH 758 O 4ndn #1/D HOH 578 O no hydrogen 2.269 N/A 2obv #3/A HOH 758 O 2obv #3/A ASP 31 OD1 no hydrogen 2.571 N/A 2obv #3/A HOH 758 O 2obv #3/A ASP 31 OD2 no hydrogen 3.483 N/A 2obv #3/A HOH 758 O 2obv #3/A ALA 259 O no hydrogen 3.227 N/A 2obv #3/A HOH 758 O 2obv #3/A HOH 643 O no hydrogen 2.720 N/A 2obv #3/A HOH 759 O 4ndn #1/D SER 384 OG no hydrogen 2.243 N/A 2obv #3/A HOH 759 O 2obv #3/A SER 383 OG no hydrogen 2.589 N/A 2obv #3/A HOH 760 O 4ndn #1/D LEU 328 O no hydrogen 2.930 N/A 2obv #3/A HOH 760 O 2obv #3/A LEU 328 O no hydrogen 2.756 N/A 2obv #3/A HOH 761 O 2obv #3/A HOH 839 O no hydrogen 2.867 N/A 2obv #3/A HOH 762 O 4ndn #1/D GLU 27 OE2 no hydrogen 3.257 N/A 2obv #3/A HOH 762 O 4ndn #1/D HOH 511 O no hydrogen 1.001 N/A 2obv #3/A HOH 762 O 2obv #3/A GLU 27 OE1 no hydrogen 3.142 N/A 2obv #3/A HOH 762 O 2obv #3/A GLU 27 OE2 no hydrogen 2.976 N/A 2obv #3/A HOH 762 O 2obv #3/A HIS 89 NE2 no hydrogen 2.992 N/A 2obv #3/A HOH 763 O 2obv #3/A HOH 793 O no hydrogen 2.742 N/A 2obv #3/A HOH 765 O 4ndn #1/D ASP 100 O no hydrogen 2.898 N/A 2obv #3/A HOH 765 O 4ndn #1/D HOH 525 O no hydrogen 1.078 N/A 2obv #3/A HOH 765 O 2obv #3/A ASP 100 O no hydrogen 3.536 N/A 2obv #3/A HOH 765 O 2obv #3/A HOH 735 O no hydrogen 2.985 N/A 2obv #3/A HOH 765 O 2obv #3/A HOH 859 O no hydrogen 3.322 N/A 2obv #3/A HOH 766 O 4ndn #1/D ASP 78 OD2 no hydrogen 2.765 N/A 2obv #3/A HOH 766 O 4ndn #1/D HOH 597 O no hydrogen 0.415 N/A 2obv #3/A HOH 766 O 2obv #3/A ASP 78 OD1 no hydrogen 3.526 N/A 2obv #3/A HOH 766 O 2obv #3/A ASP 78 OD2 no hydrogen 2.738 N/A 2obv #3/A HOH 767 O 2obv #3/A ASP 85 O no hydrogen 3.640 N/A 2obv #3/A HOH 767 O 2obv #3/A HOH 814 O no hydrogen 2.741 N/A 2obv #3/A HOH 768 O 4ndn #1/D ALA 40 O no hydrogen 2.682 N/A 2obv #3/A HOH 768 O 4ndn #1/D HOH 563 O no hydrogen 0.570 N/A 2obv #3/A HOH 768 O 2obv #3/A ALA 40 O no hydrogen 2.616 N/A 2obv #3/A HOH 768 O 2obv #3/A HOH 629 O no hydrogen 2.576 N/A 2obv #3/A HOH 768 O 2obv #3/A HOH 702 O no hydrogen 2.742 N/A 2obv #3/A HOH 768 O 2obv #3/A HOH 787 O no hydrogen 2.953 N/A 2obv #3/A HOH 769 O 4ndn #1/D TYR 79 OH no hydrogen 2.814 N/A 2obv #3/A HOH 769 O 4ndn #1/D EDO 404 O1 no hydrogen 1.335 N/A 2obv #3/A HOH 769 O 2obv #3/A TYR 79 OH no hydrogen 2.922 N/A 2obv #3/A HOH 769 O 2obv #3/A HOH 697 O no hydrogen 2.529 N/A 2obv #3/A HOH 770 O 4ndn #1/D LEU 110 O no hydrogen 2.497 N/A 2obv #3/A HOH 770 O 2obv #3/A LEU 110 O no hydrogen 2.718 N/A 2obv #3/A HOH 770 O 2obv #3/A HOH 697 O no hydrogen 2.592 N/A 2obv #3/A HOH 771 O 4ndn #1/D PRO 246 O no hydrogen 3.652 N/A 2obv #3/A HOH 771 O 4ndn #1/D SER 247 O no hydrogen 3.155 N/A 2obv #3/A HOH 772 O 4ndn #1/D ASP 269 OD2 no hydrogen 2.730 N/A 2obv #3/A HOH 772 O 4ndn #1/D HOH 504 O no hydrogen 0.156 N/A 2obv #3/A HOH 772 O 4ndn #1/D HOH 505 O no hydrogen 2.888 N/A 2obv #3/A HOH 772 O 4ndn #1/D HOH 526 O no hydrogen 2.876 N/A 2obv #3/A HOH 772 O 2obv #3/A ASP 269 OD2 no hydrogen 2.708 N/A 2obv #3/A HOH 772 O 2obv #3/A HOH 649 O no hydrogen 2.724 N/A 2obv #3/A HOH 772 O 2obv #3/A HOH 775 O no hydrogen 2.969 N/A 2obv #3/A HOH 773 O 2obv #3/A HOH 701 O no hydrogen 2.594 N/A 2obv #3/A HOH 773 O 2obv #3/A HOH 802 O no hydrogen 3.416 N/A 2obv #3/A HOH 775 O 4ndn #1/D ASP 35 OD1 no hydrogen 2.845 N/A 2obv #3/A HOH 775 O 4ndn #1/D HOH 504 O no hydrogen 3.015 N/A 2obv #3/A HOH 775 O 4ndn #1/D HOH 526 O no hydrogen 0.343 N/A 2obv #3/A HOH 775 O 2obv #3/A ASP 35 OD1 no hydrogen 2.904 N/A 2obv #3/A HOH 775 O 2obv #3/A HOH 611 O no hydrogen 3.307 N/A 2obv #3/A HOH 775 O 2obv #3/A HOH 612 O no hydrogen 3.376 N/A 2obv #3/A HOH 775 O 2obv #3/A HOH 772 O no hydrogen 2.969 N/A 2obv #3/A HOH 776 O 4ndn #1/D GLN 36 OE1 no hydrogen 0.993 N/A 2obv #3/A HOH 776 O 4ndn #1/D HIS 89 ND1 no hydrogen 3.309 N/A 2obv #3/A HOH 776 O 4ndn #1/D EDO 403 O2 no hydrogen 2.482 N/A 2obv #3/A HOH 776 O 2obv #3/A HOH 805 O no hydrogen 2.829 N/A 2obv #3/A HOH 777 O 2obv #3/A ALA 308 O no hydrogen 3.279 N/A 2obv #3/A HOH 777 O 2obv #3/A GLY 309 O no hydrogen 3.570 N/A 2obv #3/A HOH 778 O 4ndn #1/D PRO 115 O no hydrogen 2.006 N/A 2obv #3/A HOH 778 O 2obv #3/A PRO 115 O no hydrogen 2.737 N/A 2obv #3/A HOH 779 O 4ndn #1/D ASP 210 O no hydrogen 3.392 N/A 2obv #3/A HOH 779 O 4ndn #1/D VAL 213 O no hydrogen 3.101 N/A 2obv #3/A HOH 779 O 2obv #3/A ASN 210 O no hydrogen 2.915 N/A 2obv #3/A HOH 779 O 2obv #3/A ILE 213 O no hydrogen 2.452 N/A 2obv #3/A HOH 779 O 2obv #3/A HOH 887 O no hydrogen 3.173 N/A 2obv #3/A HOH 780 O 4ndn #1/D HOH 608 O no hydrogen 0.540 N/A 2obv #3/A HOH 780 O 2obv #3/A HOH 788 O no hydrogen 2.525 N/A 2obv #3/A HOH 780 O 2obv #3/A HOH 852 O no hydrogen 2.231 N/A 2obv #3/A HOH 781 O 4ndn #1/C HOH 543 O no hydrogen 2.483 N/A 2obv #3/A HOH 781 O 4ndn #1/D THR 17 O no hydrogen 2.267 N/A 2obv #3/A HOH 781 O 2obv #3/A VAL 17 O no hydrogen 3.029 N/A 2obv #3/A HOH 782 O 4ndn #1/D SER 73 O no hydrogen 3.619 N/A 2obv #3/A HOH 782 O 2obv #3/A SER 73 O no hydrogen 3.515 N/A 2obv #3/A HOH 783 O 2obv #3/A HOH 690 O no hydrogen 2.620 N/A 2obv #3/A HOH 783 O 2obv #3/A HOH 892 O no hydrogen 2.551 N/A 2obv #3/A HOH 784 O 2obv #3/A HOH 709 O no hydrogen 2.648 N/A 2obv #3/A HOH 784 O 2obv #3/A HOH 727 O no hydrogen 2.869 N/A 2obv #3/A HOH 785 O 4ndn #1/D HOH 599 O no hydrogen 0.630 N/A 2obv #3/A HOH 786 O 2obv #3/A HOH 733 O no hydrogen 2.621 N/A 2obv #3/A HOH 786 O 2obv #3/A HOH 789 O no hydrogen 2.734 N/A 2obv #3/A HOH 786 O 2obv #3/A HOH 821 O no hydrogen 3.014 N/A 2obv #3/A HOH 787 O 4ndn #1/D EDO 405 O2 no hydrogen 2.049 N/A 2obv #3/A HOH 787 O 4ndn #1/D HOH 563 O no hydrogen 2.574 N/A 2obv #3/A HOH 787 O 2obv #3/A HOH 768 O no hydrogen 2.953 N/A 2obv #3/A HOH 787 O 2obv #3/A HOH 803 O no hydrogen 2.860 N/A 2obv #3/A HOH 787 O 2obv #3/A HOH 814 O no hydrogen 2.542 N/A 2obv #3/A HOH 788 O 4ndn #1/D LYS 350 O no hydrogen 3.582 N/A 2obv #3/A HOH 788 O 4ndn #1/D HOH 608 O no hydrogen 2.326 N/A 2obv #3/A HOH 788 O 2obv #3/A HIS 350 O no hydrogen 3.418 N/A 2obv #3/A HOH 788 O 2obv #3/A HOH 780 O no hydrogen 2.525 N/A 2obv #3/A HOH 788 O 2obv #3/A HOH 809 O no hydrogen 3.097 N/A 2obv #3/A HOH 789 O 2obv #3/A HOH 786 O no hydrogen 2.734 N/A 2obv #3/A HOH 791 O 4ndn #1/D EDO 403 O2 no hydrogen 1.673 N/A 2obv #3/A HOH 791 O 4ndn #1/D HOH 564 O no hydrogen 2.081 N/A 2obv #3/A HOH 791 O 2obv #3/A HOH 805 O no hydrogen 3.360 N/A 2obv #3/A HOH 792 O 4ndn #1/D HOH 572 O no hydrogen 2.483 N/A 2obv #3/A HOH 792 O 2obv #3/A HOH 656 O no hydrogen 2.522 N/A 2obv #3/A HOH 792 O 2obv #3/A HOH 743 O no hydrogen 3.002 N/A 2obv #3/A HOH 792 O 2obv #3/A HOH 852 O no hydrogen 3.061 N/A 2obv #3/A HOH 792 O 2obv #3/A HOH 853 O no hydrogen 3.082 N/A 2obv #3/A HOH 793 O 4ndn #1/D PRO 390 O no hydrogen 2.719 N/A 2obv #3/A HOH 793 O 4ndn #1/D HOH 518 O no hydrogen 2.312 N/A 2obv #3/A HOH 793 O 2obv #3/A PRO 390 O no hydrogen 2.542 N/A 2obv #3/A HOH 793 O 2obv #3/A HOH 655 O no hydrogen 2.787 N/A 2obv #3/A HOH 793 O 2obv #3/A HOH 763 O no hydrogen 2.742 N/A 2obv #3/A HOH 794 O 4ndn #1/D PHE 139 O no hydrogen 3.237 N/A 2obv #3/A HOH 794 O 4ndn #1/D ALA 276 O no hydrogen 3.517 N/A 2obv #3/A HOH 794 O 4ndn #1/D HOH 614 O no hydrogen 2.208 N/A 2obv #3/A HOH 794 O 2obv #3/A PHE 139 O no hydrogen 3.100 N/A 2obv #3/A HOH 794 O 2obv #3/A ALA 276 O no hydrogen 3.358 N/A 2obv #3/A HOH 794 O 2obv #3/A HOH 678 O no hydrogen 2.375 N/A 2obv #3/A HOH 795 O 4ndn #1/D GLU 147 OE1 no hydrogen 3.381 N/A 2obv #3/A HOH 795 O 2obv #3/A GLU 148 OE1 no hydrogen 3.184 N/A 2obv #3/A HOH 795 O 2obv #3/A HOH 830 O no hydrogen 2.550 N/A 2obv #3/A HOH 795 O 2obv #3/A HOH 878 O no hydrogen 2.972 N/A 2obv #3/A HOH 796 O 4ndn #1/C LEU 19 O no hydrogen 3.511 N/A 2obv #3/A HOH 796 O 4ndn #1/C HOH 576 O no hydrogen 0.958 N/A 2obv #3/A HOH 796 O 4ndn #1/D SER 331 OG no hydrogen 3.012 N/A 2obv #3/A HOH 796 O 4ndn #1/D HOH 515 O no hydrogen 3.135 N/A 2obv #3/A HOH 796 O 2obv #3/A SER 331 OG no hydrogen 2.922 N/A 2obv #3/A HOH 796 O 2obv #3/A HOH 624 O no hydrogen 2.919 N/A 2obv #3/A HOH 798 O 4ndn #1/D HOH 566 O no hydrogen 2.363 N/A 2obv #3/A HOH 799 O 4ndn #1/D ARG 362 O no hydrogen 2.882 N/A 2obv #3/A HOH 799 O 2obv #3/A ARG 362 O no hydrogen 3.035 N/A 2obv #3/A HOH 799 O 2obv #3/A ASP 365 OD1 no hydrogen 3.514 N/A 2obv #3/A HOH 800 O 4ndn #1/D ASP 129 OD2 no hydrogen 1.599 N/A 2obv #3/A HOH 800 O 2obv #3/A ASN 126 OD1 no hydrogen 2.687 N/A 2obv #3/A HOH 800 O 2obv #3/A HOH 827 O no hydrogen 2.983 N/A 2obv #3/A HOH 801 O 4ndn #1/C GLY 279 O no hydrogen 3.272 N/A 2obv #3/A HOH 801 O 4ndn #1/D ARG 264 O no hydrogen 2.799 N/A 2obv #3/A HOH 801 O 4ndn #1/D HOH 565 O no hydrogen 2.329 N/A 2obv #3/A HOH 801 O 2obv #3/A ARG 264 O no hydrogen 2.753 N/A 2obv #3/A HOH 801 O 2obv #3/A HOH 632 O no hydrogen 2.648 N/A 2obv #3/A HOH 801 O 2obv #3/A HOH 751 O no hydrogen 3.366 N/A 2obv #3/A HOH 802 O 4ndn #1/D HOH 570 O no hydrogen 0.297 N/A 2obv #3/A HOH 802 O 2obv #3/A HOH 742 O no hydrogen 2.383 N/A 2obv #3/A HOH 802 O 2obv #3/A HOH 773 O no hydrogen 3.416 N/A 2obv #3/A HOH 803 O 2obv #3/A ASP 85 OD2 no hydrogen 2.583 N/A 2obv #3/A HOH 803 O 2obv #3/A HOH 787 O no hydrogen 2.860 N/A 2obv #3/A HOH 804 O 4ndn #1/B VAL 106 O no hydrogen 3.466 N/A 2obv #3/A HOH 804 O 4ndn #1/D VAL 108 O no hydrogen 2.970 N/A 2obv #3/A HOH 804 O 4ndn #1/D LEU 110 O no hydrogen 3.658 N/A 2obv #3/A HOH 804 O 4ndn #1/D HOH 523 O no hydrogen 0.946 N/A 2obv #3/A HOH 804 O 2obv #3/A VAL 108 O no hydrogen 2.947 N/A 2obv #3/A HOH 804 O 2obv #3/A LEU 110 O no hydrogen 3.467 N/A 2obv #3/A HOH 804 O 2obv #3/A HOH 822 O no hydrogen 2.304 N/A 2obv #3/A HOH 805 O 4ndn #1/D GLN 372 O no hydrogen 2.926 N/A 2obv #3/A HOH 805 O 2obv #3/A GLN 372 O no hydrogen 3.071 N/A 2obv #3/A HOH 805 O 2obv #3/A HOH 776 O no hydrogen 2.829 N/A 2obv #3/A HOH 805 O 2obv #3/A HOH 791 O no hydrogen 3.360 N/A 2obv #3/A HOH 805 O 2obv #3/A HOH 858 O no hydrogen 2.346 N/A 2obv #3/A HOH 806 O 4ndn #1/D ASP 383 O no hydrogen 1.479 N/A 2obv #3/A HOH 806 O 2obv #3/A GLU 384 OE2 no hydrogen 2.689 N/A 2obv #3/A HOH 806 O 2obv #3/A HOH 831 O no hydrogen 2.729 N/A 2obv #3/A HOH 807 O 4ndn #1/D ASP 354 O no hydrogen 2.432 N/A 2obv #3/A HOH 807 O 4ndn #1/D ASP 363 OD2 no hydrogen 3.038 N/A 2obv #3/A HOH 807 O 4ndn #1/D HOH 554 O no hydrogen 2.947 N/A 2obv #3/A HOH 807 O 2obv #3/A ASP 354 O no hydrogen 2.653 N/A 2obv #3/A HOH 807 O 2obv #3/A ASP 363 OD2 no hydrogen 2.748 N/A 2obv #3/A HOH 808 O 4ndn #1/D HOH 517 O no hydrogen 2.340 N/A 2obv #3/A HOH 808 O 4ndn #1/D HOH 552 O no hydrogen 0.441 N/A 2obv #3/A HOH 808 O 4ndn #1/D HOH 562 O no hydrogen 3.141 N/A 2obv #3/A HOH 808 O 2obv #3/A HOH 745 O no hydrogen 2.306 N/A 2obv #3/A HOH 808 O 2obv #3/A HOH 889 O no hydrogen 3.072 N/A 2obv #3/A HOH 809 O 4ndn #1/D LYS 350 O no hydrogen 2.380 N/A 2obv #3/A HOH 809 O 4ndn #1/D PHE 353 O no hydrogen 2.514 N/A 2obv #3/A HOH 809 O 4ndn #1/D HOH 517 O no hydrogen 2.695 N/A 2obv #3/A HOH 809 O 4ndn #1/D HOH 608 O no hydrogen 3.038 N/A 2obv #3/A HOH 809 O 2obv #3/A HIS 350 O no hydrogen 2.479 N/A 2obv #3/A HOH 809 O 2obv #3/A PHE 353 O no hydrogen 2.408 N/A 2obv #3/A HOH 809 O 2obv #3/A HOH 745 O no hydrogen 2.801 N/A 2obv #3/A HOH 809 O 2obv #3/A HOH 788 O no hydrogen 3.097 N/A 2obv #3/A HOH 810 O 2obv #3/A GLU 128 OE1 no hydrogen 3.126 N/A 2obv #3/A HOH 810 O 2obv #3/A HOH 743 O no hydrogen 2.703 N/A 2obv #3/A HOH 811 O 4ndn #1/D ASP 191 OD2 no hydrogen 3.076 N/A 2obv #3/A HOH 811 O 2obv #3/A ASP 191 OD2 no hydrogen 2.554 N/A 2obv #3/A HOH 812 O 2obv #3/A GLN -2 OE1 no hydrogen 2.537 N/A 2obv #3/A HOH 813 O 4ndn #1/D GLY 336 O no hydrogen 3.616 N/A 2obv #3/A HOH 813 O 4ndn #1/E PRO 310 O no hydrogen 3.353 N/A 2obv #3/A HOH 813 O 2obv #3/A GLY 336 O no hydrogen 3.303 N/A 2obv #3/A HOH 813 O 2obv #3/A HOH 711 O no hydrogen 3.001 N/A 2obv #3/A HOH 814 O 4ndn #1/D GLN 372 OE1 no hydrogen 2.922 N/A 2obv #3/A HOH 814 O 2obv #3/A THR 86 OG1 no hydrogen 2.686 N/A 2obv #3/A HOH 814 O 2obv #3/A GLN 372 OE1 no hydrogen 2.791 N/A 2obv #3/A HOH 814 O 2obv #3/A HOH 767 O no hydrogen 2.741 N/A 2obv #3/A HOH 814 O 2obv #3/A HOH 787 O no hydrogen 2.542 N/A 2obv #3/A HOH 815 O 4ndn #1/D LEU 46 O no hydrogen 2.892 N/A 2obv #3/A HOH 815 O 4ndn #1/D LYS 367 O no hydrogen 2.491 N/A 2obv #3/A HOH 815 O 4ndn #1/D HOH 602 O no hydrogen 0.400 N/A 2obv #3/A HOH 815 O 2obv #3/A LEU 46 O no hydrogen 2.936 N/A 2obv #3/A HOH 815 O 2obv #3/A LYS 367 O no hydrogen 2.489 N/A 2obv #3/A HOH 816 O 4ndn #1/D ASP 49 OD2 no hydrogen 2.920 N/A 2obv #3/A HOH 816 O 4ndn #1/D HOH 512 O no hydrogen 0.224 N/A 2obv #3/A HOH 816 O 2obv #3/A ASP 49 OD1 no hydrogen 3.453 N/A 2obv #3/A HOH 816 O 2obv #3/A ASP 49 OD2 no hydrogen 2.616 N/A 2obv #3/A HOH 816 O 2obv #3/A ASN 51 O no hydrogen 3.659 N/A 2obv #3/A HOH 817 O 4ndn #1/C ASP 258 OD1 no hydrogen 2.729 N/A 2obv #3/A HOH 817 O 4ndn #1/C ALA 259 O no hydrogen 2.644 N/A 2obv #3/A HOH 817 O 4ndn #1/C HOH 552 O no hydrogen 3.338 N/A 2obv #3/A HOH 817 O 4ndn #1/D GLU 57 OE1 no hydrogen 2.720 N/A 2obv #3/A HOH 817 O 4ndn #1/D HOH 589 O no hydrogen 2.477 N/A 2obv #3/A HOH 817 O 4ndn #1/D HOH 615 O no hydrogen 0.536 N/A 2obv #3/A HOH 817 O 2obv #3/A GLU 57 OE2 no hydrogen 2.511 N/A 2obv #3/A HOH 818 O 4ndn #1/B GLU 111 OE2 no hydrogen 2.864 N/A 2obv #3/A HOH 818 O 4ndn #1/D GLN 80 OE1 no hydrogen 2.907 N/A 2obv #3/A HOH 818 O 4ndn #1/D VAL 106 O no hydrogen 3.505 N/A 2obv #3/A HOH 818 O 4ndn #1/D HOH 507 O no hydrogen 2.047 N/A 2obv #3/A HOH 818 O 2obv #3/A GLN 80 OE1 no hydrogen 3.282 N/A 2obv #3/A HOH 818 O 2obv #3/A VAL 106 O no hydrogen 3.218 N/A 2obv #3/A HOH 818 O 2obv #3/A HOH 618 O no hydrogen 2.708 N/A 2obv #3/A HOH 819 O 4ndn #1/D GLU 85 O no hydrogen 3.297 N/A 2obv #3/A HOH 819 O 4ndn #1/D GLU 85 OE1 no hydrogen 2.424 N/A 2obv #3/A HOH 819 O 2obv #3/A ASP 85 O no hydrogen 2.798 N/A 2obv #3/A HOH 819 O 2obv #3/A HOH 870 O no hydrogen 2.418 N/A 2obv #3/A HOH 820 O 4ndn #1/A HOH 538 O no hydrogen 2.628 N/A 2obv #3/A HOH 820 O 4ndn #1/A HOH 586 O no hydrogen 0.846 N/A 2obv #3/A HOH 820 O 2obv #3/A HOH 724 O no hydrogen 2.471 N/A 2obv #3/A HOH 821 O 4ndn #1/D GLN 256 OE1 no hydrogen 2.761 N/A 2obv #3/A HOH 821 O 2obv #3/A GLN 256 OE1 no hydrogen 2.739 N/A 2obv #3/A HOH 821 O 2obv #3/A HOH 720 O no hydrogen 2.484 N/A 2obv #3/A HOH 821 O 2obv #3/A HOH 786 O no hydrogen 3.014 N/A 2obv #3/A HOH 822 O 4ndn #1/B EDO 402 O1 no hydrogen 1.595 N/A 2obv #3/A HOH 822 O 4ndn #1/D LEU 110 O no hydrogen 3.527 N/A 2obv #3/A HOH 822 O 4ndn #1/D HOH 523 O no hydrogen 1.796 N/A 2obv #3/A HOH 822 O 2obv #3/A LEU 110 O no hydrogen 3.556 N/A 2obv #3/A HOH 822 O 2obv #3/A HOH 804 O no hydrogen 2.304 N/A 2obv #3/A HOH 823 O 4ndn #1/D THR 72 OG1 no hydrogen 3.213 N/A 2obv #3/A HOH 823 O 4ndn #1/D GLN 113 O no hydrogen 2.166 N/A 2obv #3/A HOH 823 O 2obv #3/A THR 72 OG1 no hydrogen 3.070 N/A 2obv #3/A HOH 823 O 2obv #3/A GLN 113 O no hydrogen 2.784 N/A 2obv #3/A HOH 823 O 2obv #3/A HOH 639 O no hydrogen 3.115 N/A 2obv #3/A HOH 824 O 4ndn #1/D ASP 116 OD1 no hydrogen 1.970 N/A 2obv #3/A HOH 824 O 2obv #3/A ASP 116 OD1 no hydrogen 2.774 N/A 2obv #3/A HOH 825 O 4ndn #1/D HIS 122 ND1 no hydrogen 2.501 N/A 2obv #3/A HOH 825 O 4ndn #1/D HOH 583 O no hydrogen 0.663 N/A 2obv #3/A HOH 825 O 2obv #3/A HIS 122 ND1 no hydrogen 2.719 N/A 2obv #3/A HOH 825 O 2obv #3/A HIS 122 O no hydrogen 3.554 N/A 2obv #3/A HOH 825 O 2obv #3/A HOH 689 O no hydrogen 3.341 N/A 2obv #3/A HOH 825 O 2obv #3/A HOH 695 O no hydrogen 2.511 N/A 2obv #3/A HOH 826 O 4ndn #1/D GLU 127 OE2 no hydrogen 2.485 N/A 2obv #3/A HOH 826 O 4ndn #1/D GLY 358 O no hydrogen 2.398 N/A 2obv #3/A HOH 826 O 2obv #3/A GLU 127 OE2 no hydrogen 2.610 N/A 2obv #3/A HOH 826 O 2obv #3/A GLY 358 O no hydrogen 2.580 N/A 2obv #3/A HOH 827 O 4ndn #1/D GLU 128 OE1 no hydrogen 2.382 N/A 2obv #3/A HOH 827 O 4ndn #1/D ASP 129 OD1 no hydrogen 2.407 N/A 2obv #3/A HOH 827 O 2obv #3/A GLU 128 OE2 no hydrogen 2.467 N/A 2obv #3/A HOH 827 O 2obv #3/A HOH 800 O no hydrogen 2.983 N/A 2obv #3/A HOH 828 O 4ndn #1/C PPK 404 O2B no hydrogen 2.478 N/A 2obv #3/A HOH 828 O 4ndn #1/C PPK 404 O2G no hydrogen 2.921 N/A 2obv #3/A HOH 828 O 4ndn #1/C PPK 404 O4A no hydrogen 2.103 N/A 2obv #3/A HOH 828 O 4ndn #1/C HOH 567 O no hydrogen 1.536 N/A 2obv #3/A HOH 828 O 4ndn #1/D ASP 134 OD2 no hydrogen 2.782 N/A 2obv #3/A HOH 828 O 4ndn #1/D ASP 291 OD2 no hydrogen 2.913 N/A 2obv #3/A HOH 828 O 2obv #3/A ASP 134 OD2 no hydrogen 2.625 N/A 2obv #3/A HOH 828 O 2obv #3/A ASP 291 OD2 no hydrogen 2.998 N/A 2obv #3/A HOH 828 O 2obv #3/A HOH 638 O no hydrogen 3.273 N/A 2obv #3/A HOH 828 O 2obv #3/A HOH 730 O no hydrogen 3.395 N/A 2obv #3/A HOH 829 O 4ndn #1/D ASP 144 O no hydrogen 3.006 N/A 2obv #3/A HOH 829 O 4ndn #1/D HOH 603 O no hydrogen 3.353 N/A 2obv #3/A HOH 829 O 2obv #3/A ASP 144 O no hydrogen 2.917 N/A 2obv #3/A HOH 830 O 4ndn #1/D ASP 383 OD1 no hydrogen 3.154 N/A 2obv #3/A HOH 830 O 2obv #3/A HOH 795 O no hydrogen 2.550 N/A 2obv #3/A HOH 831 O 2obv #3/A HOH 806 O no hydrogen 2.729 N/A 2obv #3/A HOH 832 O 4ndn #1/D LYS 159 O no hydrogen 2.847 N/A 2obv #3/A HOH 832 O 2obv #3/A LYS 159 O no hydrogen 3.078 N/A 2obv #3/A HOH 833 O 4ndn #1/D GLU 166 OE1 no hydrogen 3.264 N/A 2obv #3/A HOH 833 O 2obv #3/A HOH 675 O no hydrogen 2.490 N/A 2obv #3/A HOH 834 O 4ndn #1/D GLU 166 O no hydrogen 2.320 N/A 2obv #3/A HOH 834 O 4ndn #1/D HOH 540 O no hydrogen 0.949 N/A 2obv #3/A HOH 834 O 2obv #3/A ASP 166 O no hydrogen 2.746 N/A 2obv #3/A HOH 835 O 4ndn #1/D GLY 171 O no hydrogen 2.862 N/A 2obv #3/A HOH 835 O 2obv #3/A GLY 171 O no hydrogen 2.688 N/A 2obv #3/A HOH 836 O 4ndn #1/C SER 319 OG no hydrogen 1.997 N/A 2obv #3/A HOH 836 O 4ndn #1/D LEU 19 O no hydrogen 3.086 N/A 2obv #3/A HOH 836 O 2obv #3/A THR 21 OG1 no hydrogen 3.293 N/A 2obv #3/A HOH 837 O 4ndn #1/D HIS 201 O no hydrogen 2.911 N/A 2obv #3/A HOH 837 O 4ndn #1/D ASP 239 O no hydrogen 3.240 N/A 2obv #3/A HOH 837 O 4ndn #1/D HOH 544 O no hydrogen 0.730 N/A 2obv #3/A HOH 837 O 2obv #3/A HIS 201 O no hydrogen 2.806 N/A 2obv #3/A HOH 837 O 2obv #3/A ASP 239 O no hydrogen 2.801 N/A 2obv #3/A HOH 838 O 4ndn #1/C ILE 322 O no hydrogen 3.343 N/A 2obv #3/A HOH 838 O 4ndn #1/D HIS 243 NE2 no hydrogen 3.144 N/A 2obv #3/A HOH 838 O 2obv #3/A HIS 243 NE2 no hydrogen 2.834 N/A 2obv #3/A HOH 839 O 4ndn #1/D TYR 242 O no hydrogen 3.602 N/A 2obv #3/A HOH 839 O 2obv #3/A TYR 242 O no hydrogen 3.591 N/A 2obv #3/A HOH 839 O 2obv #3/A HOH 761 O no hydrogen 2.867 N/A 2obv #3/A HOH 840 O 4ndn #1/D GLU 217 OE2 no hydrogen 3.126 N/A 2obv #3/A HOH 840 O 2obv #3/A THR 214 OG1 no hydrogen 2.611 N/A 2obv #3/A HOH 840 O 2obv #3/A GLU 217 OE1 no hydrogen 2.494 N/A 2obv #3/A HOH 841 O 2obv #3/A GLU 216 OE2 no hydrogen 2.676 N/A 2obv #3/A HOH 842 O 2obv #3/A HOH 881 O no hydrogen 2.918 N/A 2obv #3/A HOH 843 O 2obv #3/A HOH 881 O no hydrogen 2.974 N/A 2obv #3/A HOH 844 O 2obv #3/A GLY 248 O no hydrogen 2.750 N/A 2obv #3/A HOH 844 O 2obv #3/A HOH 887 O no hydrogen 2.288 N/A 2obv #3/A HOH 845 O 4ndn #1/D GLY 273 O no hydrogen 3.122 N/A 2obv #3/A HOH 845 O 4ndn #1/D GLY 275 O no hydrogen 3.627 N/A 2obv #3/A HOH 845 O 2obv #3/A GLY 273 O no hydrogen 2.987 N/A 2obv #3/A HOH 845 O 2obv #3/A GLY 275 O no hydrogen 3.534 N/A 2obv #3/A HOH 845 O 2obv #3/A HOH 713 O no hydrogen 3.117 N/A 2obv #3/A HOH 846 O 4ndn #1/D HOH 596 O no hydrogen 3.207 N/A 2obv #3/A HOH 846 O 2obv #3/A HOH 609 O no hydrogen 3.274 N/A 2obv #3/A HOH 847 O 4ndn #1/D THR 337 O no hydrogen 3.034 N/A 2obv #3/A HOH 847 O 4ndn #1/D HOH 522 O no hydrogen 3.198 N/A 2obv #3/A HOH 847 O 2obv #3/A THR 337 O no hydrogen 3.140 N/A 2obv #3/A HOH 847 O 2obv #3/A HOH 848 O no hydrogen 1.964 N/A 2obv #3/A HOH 848 O 4ndn #1/D LEU 310 O no hydrogen 3.490 N/A 2obv #3/A HOH 848 O 4ndn #1/D HOH 522 O no hydrogen 1.246 N/A 2obv #3/A HOH 848 O 4ndn #1/D HOH 542 O no hydrogen 3.317 N/A 2obv #3/A HOH 848 O 4ndn #1/D HOH 616 O no hydrogen 3.258 N/A 2obv #3/A HOH 848 O 2obv #3/A GLY 309 O no hydrogen 3.607 N/A 2obv #3/A HOH 848 O 2obv #3/A HOH 847 O no hydrogen 1.964 N/A 2obv #3/A HOH 849 O 4ndn #1/D PRO 327 O no hydrogen 3.203 N/A 2obv #3/A HOH 849 O 4ndn #1/D HOH 548 O no hydrogen 2.994 N/A 2obv #3/A HOH 849 O 2obv #3/A PRO 327 O no hydrogen 3.079 N/A 2obv #3/A HOH 849 O 2obv #3/A HOH 653 O no hydrogen 2.853 N/A 2obv #3/A HOH 850 O 2obv #3/A HOH 737 O no hydrogen 2.942 N/A 2obv #3/A HOH 851 O 4ndn #1/D ASN 352 OD1 no hydrogen 2.744 N/A 2obv #3/A HOH 851 O 4ndn #1/D LYS 392 O no hydrogen 3.431 N/A 2obv #3/A HOH 851 O 2obv #3/A ASN 352 OD1 no hydrogen 2.731 N/A 2obv #3/A HOH 851 O 2obv #3/A LYS 392 O no hydrogen 2.942 N/A 2obv #3/A HOH 852 O 4ndn #1/D HOH 608 O no hydrogen 2.616 N/A 2obv #3/A HOH 852 O 2obv #3/A HOH 780 O no hydrogen 2.231 N/A 2obv #3/A HOH 852 O 2obv #3/A HOH 792 O no hydrogen 3.061 N/A 2obv #3/A HOH 853 O 4ndn #1/D ASP 363 OD1 no hydrogen 2.597 N/A 2obv #3/A HOH 853 O 4ndn #1/D ASP 363 OD2 no hydrogen 3.153 N/A 2obv #3/A HOH 853 O 2obv #3/A ASP 363 OD1 no hydrogen 2.527 N/A 2obv #3/A HOH 853 O 2obv #3/A ASP 363 OD2 no hydrogen 3.505 N/A 2obv #3/A HOH 853 O 2obv #3/A HOH 792 O no hydrogen 3.082 N/A 2obv #3/A HOH 854 O 4ndn #1/D ASP 363 O no hydrogen 2.490 N/A 2obv #3/A HOH 854 O 4ndn #1/D HOH 520 O no hydrogen 2.787 N/A 2obv #3/A HOH 854 O 2obv #3/A ASP 363 O no hydrogen 2.633 N/A 2obv #3/A HOH 854 O 2obv #3/A HOH 645 O no hydrogen 2.624 N/A 2obv #3/A HOH 854 O 2obv #3/A HOH 669 O no hydrogen 2.668 N/A 2obv #3/A HOH 855 O 4ndn #1/D ASP 363 O no hydrogen 3.357 N/A 2obv #3/A HOH 855 O 2obv #3/A ASP 363 O no hydrogen 3.118 N/A 2obv #3/A HOH 856 O 4ndn #1/D ASP 365 OD1 no hydrogen 3.031 N/A 2obv #3/A HOH 856 O 4ndn #1/D HOH 538 O no hydrogen 0.262 N/A 2obv #3/A HOH 856 O 2obv #3/A ASP 365 OD1 no hydrogen 2.584 N/A 2obv #3/A HOH 856 O 2obv #3/A HOH 857 O no hydrogen 2.691 N/A 2obv #3/A HOH 857 O 4ndn #1/D VAL 361 O no hydrogen 3.144 N/A 2obv #3/A HOH 857 O 4ndn #1/D HOH 538 O no hydrogen 2.923 N/A 2obv #3/A HOH 857 O 2obv #3/A VAL 361 O no hydrogen 3.148 N/A 2obv #3/A HOH 857 O 2obv #3/A HOH 856 O no hydrogen 2.691 N/A 2obv #3/A HOH 858 O 4ndn #1/D ARG 373 O no hydrogen 2.875 N/A 2obv #3/A HOH 858 O 4ndn #1/D EDO 403 O1 no hydrogen 1.135 N/A 2obv #3/A HOH 858 O 2obv #3/A LYS 373 O no hydrogen 3.242 N/A 2obv #3/A HOH 858 O 2obv #3/A CYS 376 O no hydrogen 3.559 N/A 2obv #3/A HOH 858 O 2obv #3/A HOH 805 O no hydrogen 2.346 N/A 2obv #3/A HOH 859 O 4ndn #1/A HOH 517 O no hydrogen 1.813 N/A 2obv #3/A HOH 859 O 4ndn #1/D THR 103 OG1 no hydrogen 2.608 N/A 2obv #3/A HOH 859 O 4ndn #1/D HOH 525 O no hydrogen 2.574 N/A 2obv #3/A HOH 859 O 4ndn #1/D HOH 605 O no hydrogen 1.732 N/A 2obv #3/A HOH 859 O 2obv #3/A THR 103 O no hydrogen 3.451 N/A 2obv #3/A HOH 859 O 2obv #3/A THR 103 OG1 no hydrogen 2.931 N/A 2obv #3/A HOH 859 O 2obv #3/A HOH 765 O no hydrogen 3.322 N/A 2obv #3/A HOH 860 O 4ndn #1/C GLU 23 OE2 no hydrogen 2.862 N/A 2obv #3/A HOH 860 O 4ndn #1/C PPK 404 O1B no hydrogen 1.510 N/A 2obv #3/A HOH 860 O 4ndn #1/C HOH 579 O no hydrogen 1.204 N/A 2obv #3/A HOH 860 O 2obv #3/A HOH 638 O no hydrogen 2.687 N/A 2obv #3/A HOH 861 O 4ndn #1/D GLU 145 O no hydrogen 3.031 N/A 2obv #3/A HOH 861 O 2obv #3/A GLU 145 O no hydrogen 2.985 N/A 2obv #3/A HOH 861 O 2obv #3/A HOH 623 O no hydrogen 2.858 N/A 2obv #3/A HOH 862 O 4ndn #1/A LYS 102 O no hydrogen 3.236 N/A 2obv #3/A HOH 863 O 4ndn #1/B EDO 401 O1 no hydrogen 3.367 N/A 2obv #3/A HOH 864 O 4ndn #1/D GLN 47 OE1 no hydrogen 3.307 N/A 2obv #3/A HOH 864 O 2obv #3/A HOH 640 O no hydrogen 2.750 N/A 2obv #3/A HOH 865 O 4ndn #1/D GLN 48 O no hydrogen 3.499 N/A 2obv #3/A HOH 865 O 2obv #3/A GLN 48 O no hydrogen 3.003 N/A 2obv #3/A HOH 866 O 4ndn #1/D ASP 51 OD1 no hydrogen 3.455 N/A 2obv #3/A HOH 866 O 4ndn #1/D ASP 51 OD2 no hydrogen 2.676 N/A 2obv #3/A HOH 866 O 2obv #3/A HOH 867 O no hydrogen 3.061 N/A 2obv #3/A HOH 866 O 2obv #3/A HOH 868 O no hydrogen 3.156 N/A 2obv #3/A HOH 867 O 2obv #3/A GLU 127 OE1 no hydrogen 3.432 N/A 2obv #3/A HOH 867 O 2obv #3/A HOH 866 O no hydrogen 3.061 N/A 2obv #3/A HOH 868 O 2obv #3/A HOH 866 O no hydrogen 3.156 N/A 2obv #3/A HOH 869 O 4ndn #1/D ASP 78 OD1 no hydrogen 2.758 N/A 2obv #3/A HOH 869 O 4ndn #1/D HOH 598 O no hydrogen 3.243 N/A 2obv #3/A HOH 869 O 2obv #3/A ASP 78 OD1 no hydrogen 3.356 N/A 2obv #3/A HOH 870 O 2obv #3/A HOH 819 O no hydrogen 2.418 N/A 2obv #3/A HOH 871 O 4ndn #1/D SER 96 OG no hydrogen 2.432 N/A 2obv #3/A HOH 871 O 2obv #3/A ASP 94 OD2 no hydrogen 2.918 N/A 2obv #3/A HOH 871 O 2obv #3/A HOH 872 O no hydrogen 2.349 N/A 2obv #3/A HOH 872 O 4ndn #1/D SER 96 OG no hydrogen 3.168 N/A 2obv #3/A HOH 872 O 2obv #3/A HOH 871 O no hydrogen 2.349 N/A 2obv #3/A HOH 873 O 2obv #3/A HOH 720 O no hydrogen 2.954 N/A 2obv #3/A HOH 874 O 4ndn #1/D SER 96 O no hydrogen 2.930 N/A 2obv #3/A HOH 874 O 2obv #3/A ALA 96 O no hydrogen 2.987 N/A 2obv #3/A HOH 875 O 4ndn #1/D ASP 129 O no hydrogen 2.978 N/A 2obv #3/A HOH 875 O 4ndn #1/D HOH 531 O no hydrogen 2.192 N/A 2obv #3/A HOH 875 O 4ndn #1/D HOH 610 O no hydrogen 2.818 N/A 2obv #3/A HOH 875 O 2obv #3/A ASP 129 O no hydrogen 3.255 N/A 2obv #3/A HOH 875 O 2obv #3/A ASP 129 OD1 no hydrogen 2.916 N/A 2obv #3/A HOH 875 O 2obv #3/A HOH 674 O no hydrogen 2.687 N/A 2obv #3/A HOH 876 O 4ndn #1/D ASP 144 OD2 no hydrogen 3.235 N/A 2obv #3/A HOH 876 O 4ndn #1/D HOH 547 O no hydrogen 2.161 N/A 2obv #3/A HOH 876 O 2obv #3/A ASP 144 OD2 no hydrogen 2.607 N/A 2obv #3/A HOH 876 O 2obv #3/A HOH 714 O no hydrogen 2.968 N/A 2obv #3/A HOH 877 O 2obv #3/A HOH 683 O no hydrogen 2.559 N/A 2obv #3/A HOH 877 O 2obv #3/A HOH 726 O no hydrogen 2.719 N/A 2obv #3/A HOH 878 O 4ndn #1/D GLU 147 OE2 no hydrogen 2.645 N/A 2obv #3/A HOH 878 O 2obv #3/A HOH 795 O no hydrogen 2.972 N/A 2obv #3/A HOH 879 O 2obv #3/A GLN 225 OE1 no hydrogen 2.750 N/A 2obv #3/A HOH 879 O 2obv #3/A HOH 621 O no hydrogen 2.844 N/A 2obv #3/A HOH 880 O 4ndn #1/D ASP 220 OD2 no hydrogen 1.034 N/A 2obv #3/A HOH 880 O 2obv #3/A GLN 225 OE1 no hydrogen 2.930 N/A 2obv #3/A HOH 881 O 2obv #3/A HOH 842 O no hydrogen 2.918 N/A 2obv #3/A HOH 881 O 2obv #3/A HOH 843 O no hydrogen 2.974 N/A 2obv #3/A HOH 882 O 4ndn #1/D HIS 243 ND1 no hydrogen 3.208 N/A 2obv #3/A HOH 882 O 4ndn #1/D EDO 402 O2 no hydrogen 1.690 N/A 2obv #3/A HOH 882 O 2obv #3/A HIS 243 ND1 no hydrogen 2.789 N/A 2obv #3/A HOH 882 O 2obv #3/A HOH 883 O no hydrogen 2.557 N/A 2obv #3/A HOH 883 O 2obv #3/A LEU 244 O no hydrogen 3.603 N/A 2obv #3/A HOH 883 O 2obv #3/A HOH 882 O no hydrogen 2.557 N/A 2obv #3/A HOH 883 O 2obv #3/A HOH 884 O no hydrogen 2.582 N/A 2obv #3/A HOH 884 O 4ndn #1/D TYR 242 O no hydrogen 2.682 N/A 2obv #3/A HOH 884 O 4ndn #1/D LEU 244 O no hydrogen 3.633 N/A 2obv #3/A HOH 884 O 2obv #3/A TYR 242 O no hydrogen 2.814 N/A 2obv #3/A HOH 884 O 2obv #3/A HOH 883 O no hydrogen 2.582 N/A 2obv #3/A HOH 886 O 2obv #3/A GLU 211 O no hydrogen 3.364 N/A 2obv #3/A HOH 887 O 2obv #3/A HOH 779 O no hydrogen 3.173 N/A 2obv #3/A HOH 887 O 2obv #3/A HOH 844 O no hydrogen 2.288 N/A 2obv #3/A HOH 888 O 4ndn #1/D ASN 126 OD1 no hydrogen 2.188 N/A 2obv #3/A HOH 888 O 4ndn #1/D GLU 128 OE2 no hydrogen 3.399 N/A 2obv #3/A HOH 888 O 2obv #3/A ASN 126 OD1 no hydrogen 2.922 N/A 2obv #3/A HOH 889 O 4ndn #1/D HOH 552 O no hydrogen 2.820 N/A 2obv #3/A HOH 889 O 4ndn #1/D HOH 562 O no hydrogen 0.670 N/A 2obv #3/A HOH 889 O 2obv #3/A GLU 326 OE2 no hydrogen 2.375 N/A 2obv #3/A HOH 889 O 2obv #3/A ASP 354 OD1 no hydrogen 2.858 N/A 2obv #3/A HOH 889 O 2obv #3/A HOH 808 O no hydrogen 3.072 N/A 2obv #3/A HOH 890 O 4ndn #1/D ILE 330 O no hydrogen 3.415 N/A 2obv #3/A HOH 890 O 2obv #3/A ILE 330 O no hydrogen 3.454 N/A 2obv #3/A HOH 891 O 4ndn #1/D GLU 344 OE1 no hydrogen 3.175 N/A 2obv #3/A HOH 891 O 4ndn #1/D GLU 344 OE2 no hydrogen 2.359 N/A 2obv #3/A HOH 891 O 2obv #3/A GLU 344 OE1 no hydrogen 3.333 N/A 2obv #3/A HOH 891 O 2obv #3/A GLU 344 OE2 no hydrogen 3.000 N/A 2obv #3/A HOH 892 O 2obv #3/A HOH 783 O no hydrogen 2.551 N/A 2obv #3/A HOH 894 O 4ndn #1/D GLU 212 O no hydrogen 2.903 N/A 2obv #3/A HOH 894 O 2obv #3/A ASP 212 O no hydrogen 2.841 N/A 2obv #3/A HOH 895 O 4ndn #1/D SER 325 OG no hydrogen 3.118 N/A 2obv #3/A HOH 895 O 4ndn #1/D HIS 326 ND1 no hydrogen 2.892 N/A 2obv #3/A HOH 895 O 4ndn #1/D HOH 575 O no hydrogen 2.570 N/A 2obv #3/A HOH 895 O 2obv #3/A HOH 698 O no hydrogen 3.049 N/A 2obv #3/A HOH 895 O 2obv #3/A HOH 896 O no hydrogen 2.509 N/A 2obv #3/A HOH 896 O 4ndn #1/D SER 325 OG no hydrogen 2.825 N/A 2obv #3/A HOH 896 O 4ndn #1/D HIS 326 ND1 no hydrogen 1.674 N/A 2obv #3/A HOH 896 O 2obv #3/A ASP 129 OD2 no hydrogen 3.217 N/A 2obv #3/A HOH 896 O 2obv #3/A HOH 895 O no hydrogen 2.509 N/A 2obv #3/A HOH 896 O 2obv #3/A HOH 897 O no hydrogen 2.494 N/A 2obv #3/A HOH 897 O 2obv #3/A GLU 326 OE2 no hydrogen 2.996 N/A 2obv #3/A HOH 897 O 2obv #3/A HOH 896 O no hydrogen 2.494 N/A 2obv #3/A HOH 898 O 4ndn #1/E GLU 179 O no hydrogen 3.579 N/A 2obv #3/A HOH 898 O 4ndn #1/E HOH 502 O no hydrogen 2.736 N/A 2obv #3/A HOH 898 O 2obv #3/A ASN 192 OD1 no hydrogen 2.674 N/A 6682 hydrogen bonds found > undo > redo > ui tool show H-Bonds > hide sel atoms > show sel atoms > hide sel cartoons > style sel stick Changed 6023 atom styles > hide sel atoms > show sel atoms > show sel cartoons > hide sel atoms > ui tool show H-Bonds > hide sel cartoons > hide sel atoms > hide sel cartoons > show sel cartoons > hide sel cartoons Drag select of 8677 atoms, 36 residues, 1249 bonds, 38 pseudobonds > hide sel cartoons > hide sel atoms > show sel cartoons > select clear > select > ::name=""EDO""::name=""HOH""::name=""MG""::name=""NA""::name=""PG4""::name=""PPK""::name=""SAM"" 1010 atoms, 195 bonds, 1044 pseudobonds, 824 residues, 4 models selected > show sel atoms > select ::name=""HOH"" 793 atoms, 936 pseudobonds, 793 residues, 3 models selected > hide sel atoms > select ::name=""EDO"" 68 atoms, 51 bonds, 17 residues, 1 model selected > hide sel atoms > select > ::name=""EDO""::name=""HOH""::name=""MG""::name=""NA""::name=""PG4""::name=""PPK""::name=""SAM"" 1010 atoms, 195 bonds, 1044 pseudobonds, 824 residues, 4 models selected > color (#!1,3 & sel) byelement > select clear > select #1/A-D:264-265 80 atoms, 76 bonds, 4 pseudobonds, 8 residues, 2 models selected > select #1/A-D:264-265 80 atoms, 76 bonds, 4 pseudobonds, 8 residues, 2 models selected > select #1/A-D:264 44 atoms, 40 bonds, 4 residues, 1 model selected > select #1/A-D:264 44 atoms, 40 bonds, 4 residues, 1 model selected > show sel atoms > lighting soft > lighting full > lighting simple > select #1/C:55 5 atoms, 4 bonds, 1 residue, 1 model selected > show sel atoms > color sel byelement > hide sel atoms > color sel #fffed1ff > select #1/A:264 11 atoms, 10 bonds, 1 residue, 1 model selected > select ::name=""PG4"" 36 atoms, 33 bonds, 3 residues, 1 model selected > help help:user > select ::name=""PG4"" 36 atoms, 33 bonds, 3 residues, 1 model selected > show sel atoms > hide sel atoms > show sel atoms > hide sel atoms > close session > open 4KTT Summary of feedback from opening 4KTT fetched from pdb --- note | Fetching compressed mmCIF 4ktt from http://files.rcsb.org/download/4ktt.cif 4ktt title: Structural insights of MAT enzymes: MATa2b complexed with SAM [more info...] Chain information for 4ktt #1 --- Chain | Description | UniProt A B C D | S-adenosylmethionine synthase isoform type-2 | METK2_HUMAN 1-395 E F | Methionine adenosyltransferase 2 subunit beta | MAT2B_HUMAN 9-323 Non-standard residues in 4ktt #1 --- EDO — 1,2-ethanediol (ethylene glycol) MG — magnesium ion PO4 — phosphate ion SAM — S-adenosylmethionine > ui mousemode right zoom Drag select of 16499 atoms, 13 pseudobonds, 150 bonds > hide sel atoms > show sel cartoons Drag select of 2 atoms, 96 residues, 1 pseudobonds > hide sel atoms Drag select of 2068 residues, 9 pseudobonds > select clear > select ::name=""EDO""::name=""HOH""::name=""MG""::name=""PO4""::name=""SAM"" 285 atoms, 150 bonds, 1 pseudobond, 141 residues, 2 models selected > show sel atoms > set bgColor white > set bgColor black > lighting full > lighting soft > lighting simple > select ::name=""EDO"" 112 atoms, 84 bonds, 28 residues, 1 model selected > hide sel atoms > select ::name=""HOH"" 108 atoms, 108 residues, 1 model selected > hide sel atoms > open 4NDN 4ndn title: Structural insights of MAT enzymes: MATa2b complexed with SAM and PPNP [more info...] Chain information for 4ndn #2 --- Chain | Description | UniProt A B C D | S-adenosylmethionine synthase isoform type-2 | METK2_HUMAN 1-395 E F | Methionine adenosyltransferase 2 subunit beta | MAT2B_HUMAN 1-323 Non-standard residues in 4ndn #2 --- EDO — 1,2-ethanediol (ethylene glycol) MG — magnesium ion PPK — (diphosphono)aminophosphonic acid SAM — S-adenosylmethionine > hide sel atoms > ui tool show ""Show Sequence Viewer"" > sequence chain #1/A #1/B #1/C #1/D Alignment identifier is 1 > sequence chain #1/E #1/F Alignment identifier is 2 > sequence chain #2/A #2/B #2/C #2/D Alignment identifier is 3 > sequence chain #2/E #2/F Alignment identifier is 4 > select #2/E-F:277-323 798 atoms, 818 bonds, 94 residues, 1 model selected > select #2/E-F:15-323 4856 atoms, 4972 bonds, 1 pseudobond, 613 residues, 2 models selected > hide sel atoms > show sel cartoons > select #2/A-D:394-395 88 atoms, 88 bonds, 8 residues, 1 model selected > select #2/A,C:15-395/B:13-395/D:14-395 11583 atoms, 11814 bonds, 2 pseudobonds, 1487 residues, 2 models selected > hide sel atoms > show sel cartoons > select #1/E-F:323 22 atoms, 22 bonds, 2 residues, 1 model selected > select #1/E:16-323/F:20-323 4666 atoms, 4775 bonds, 5 pseudobonds, 586 residues, 2 models selected > select H0H Expected an objects specifier or a keyword > select clear > select #2/A:573@O 1 atom, 1 residue, 1 model selected > select up 2985 atoms, 2929 bonds, 478 residues, 1 model selected > select down 1 atom, 1 residue, 1 model selected > select down 1 atom, 1 residue, 1 model selected > select up 2985 atoms, 2929 bonds, 478 residues, 1 model selected > select up 17089 atoms, 16919 bonds, 2623 residues, 1 model selected > select up 33590 atoms, 33624 bonds, 4832 residues, 2 models selected > select down 17089 atoms, 16919 bonds, 2623 residues, 1 model selected > select down 2985 atoms, 2929 bonds, 478 residues, 1 model selected > select down 1 atom, 1 residue, 1 model selected > select up 2985 atoms, 2929 bonds, 478 residues, 1 model selected > select down 1 atom, 1 residue, 1 model selected > select: 50 Unknown command: select: 50 > select: 50.a Unknown command: select: 50.a > select:50.a Unknown command: select:50.a > select: 50.a Unknown command: select: 50.a > select #2/A,C:15-395/B:13-395/D:14-395 11583 atoms, 11814 bonds, 2 pseudobonds, 1487 residues, 2 models selected > select:50.a Unknown command: select:50.a > select 33590 atoms, 33624 bonds, 33 pseudobonds, 4832 residues, 6 models selected > 50.a Unknown command: 50.a > select 33590 atoms, 33624 bonds, 33 pseudobonds, 4832 residues, 6 models selected > 50 Unknown command: 50 > select:50-51 Unknown command: select:50-51 > select:50-51.a Unknown command: select:50-51.a > select clear > select:50-51 Unknown command: select:50-51 > select:50.a Unknown command: select:50.a > select:all Unknown command: select:all > select all 33590 atoms, 33624 bonds, 33 pseudobonds, 4832 residues, 6 models selected > select 50 Expected an objects specifier or a keyword > select 50.a Expected an objects specifier or a keyword > select 50.a Expected an objects specifier or a keyword > select 50.a Expected an objects specifier or a keyword > select 50.a Expected an objects specifier or a keyword > select 50-120 Expected an objects specifier or a keyword > select 50-120 Expected an objects specifier or a keyword > select 50-120 Expected an objects specifier or a keyword > select 50-120 Expected an objects specifier or a keyword > select 50-120.a Expected an objects specifier or a keyword > select 50-120.4ndna Expected an objects specifier or a keyword > select 50.a-e Expected an objects specifier or a keyword > select ::name=""HOH"" 606 atoms, 606 residues, 2 models selected > hide sel atoms > select ::name=""EDO"" 180 atoms, 135 bonds, 45 residues, 2 models selected > hide sel atoms > select ::name=""PO4"" 10 atoms, 8 bonds, 2 residues, 1 model selected > select # 1 16501 atoms, 16705 bonds, 13 pseudobonds, 2209 residues, 3 models selected > select # 2 17089 atoms, 16919 bonds, 20 pseudobonds, 2623 residues, 3 models selected > select # 1.1 4 pseudobonds, 1 model selected > select # 50 Nothing selected > select # 50.1 Nothing selected > select # 50 Nothing selected > select # aa 50 Expected an objects specifier or a keyword > select # 1.50 Nothing selected > select # 50-56 Nothing selected > select # alanine Expected an objects specifier or a keyword > select # A Expected an objects specifier or a keyword QPainter::begin: Paint device returned engine == 0, type: 3 ===== Log before crash end ===== Log: Startup Messages --- warning | Replacing fetcher for 'pdb_nmr' and format NMRSTAR from NMRSTAR bundle with that from NMRSTAR bundle UCSF ChimeraX version: 1.6.1 (2023-05-09) © 2016-2023 Regents of the University of California. All rights reserved. How to cite UCSF ChimeraX OpenGL version: 4.1 Metal - 88 OpenGL renderer: Apple M1 OpenGL vendor: Apple Python: 3.9.11 Locale: UTF-8 Qt version: PyQt6 6.4.2, Qt 6.4.2 Qt runtime version: 6.4.3 Qt platform: cocoa Hardware: Hardware Overview: Model Name: MacBook Pro Model Identifier: MacBookPro17,1 Model Number: Z11B000EMLL/A Chip: Apple M1 Total Number of Cores: 8 (4 performance and 4 efficiency) Memory: 16 GB System Firmware Version: 10151.61.4 OS Loader Version: 10151.61.4 Software: System Software Overview: System Version: macOS 14.2.1 (23C71) Kernel Version: Darwin 23.2.0 Time since boot: 11 days, 22 hours, 7 minutes Graphics/Displays: Apple M1: Chipset Model: Apple M1 Type: GPU Bus: Built-In Total Number of Cores: 8 Vendor: Apple (0x106b) Metal Support: Metal 3 Displays: XG2700 SERIES: Resolution: 5120 x 2880 (5K/UHD+ - Ultra High Definition Plus) UI Looks like: 2560 x 1440 @ 60.00Hz Main Display: Yes Mirror: Off Online: Yes Rotation: Supported Color LCD: Display Type: Built-In Retina LCD Resolution: 2560 x 1600 Retina Mirror: Off Online: Yes Automatically Adjust Brightness: No Connection Type: Internal Installed Packages: alabaster: 0.7.13 appdirs: 1.4.4 appnope: 0.1.3 asttokens: 2.2.1 Babel: 2.12.1 backcall: 0.2.0 beautifulsoup4: 4.11.2 blockdiag: 3.0.0 build: 0.10.0 certifi: 2021.10.8 cftime: 1.6.2 charset-normalizer: 3.1.0 ChimeraX-AddCharge: 1.5.9.1 ChimeraX-AddH: 2.2.5 ChimeraX-AlignmentAlgorithms: 2.0.1 ChimeraX-AlignmentHdrs: 3.3.1 ChimeraX-AlignmentMatrices: 2.1 ChimeraX-Alignments: 2.9.3 ChimeraX-AlphaFold: 1.0 ChimeraX-AltlocExplorer: 1.0.3 ChimeraX-AmberInfo: 1.0 ChimeraX-Arrays: 1.1 ChimeraX-Atomic: 1.43.10 ChimeraX-AtomicLibrary: 10.0.6 ChimeraX-AtomSearch: 2.0.1 ChimeraX-AxesPlanes: 2.3.2 ChimeraX-BasicActions: 1.1.2 ChimeraX-BILD: 1.0 ChimeraX-BlastProtein: 2.1.2 ChimeraX-BondRot: 2.0.1 ChimeraX-BugReporter: 1.0.1 ChimeraX-BuildStructure: 2.8 ChimeraX-Bumps: 1.0 ChimeraX-BundleBuilder: 1.2.2 ChimeraX-ButtonPanel: 1.0.1 ChimeraX-CageBuilder: 1.0.1 ChimeraX-CellPack: 1.0 ChimeraX-Centroids: 1.3.2 ChimeraX-ChangeChains: 1.0.2 ChimeraX-CheckWaters: 1.3.1 ChimeraX-ChemGroup: 2.0.1 ChimeraX-Clashes: 2.2.4 ChimeraX-ColorActions: 1.0.3 ChimeraX-ColorGlobe: 1.0 ChimeraX-ColorKey: 1.5.3 ChimeraX-CommandLine: 1.2.5 ChimeraX-ConnectStructure: 2.0.1 ChimeraX-Contacts: 1.0.1 ChimeraX-Core: 1.6.1 ChimeraX-CoreFormats: 1.1 ChimeraX-coulombic: 1.4.2 ChimeraX-Crosslinks: 1.0 ChimeraX-Crystal: 1.0 ChimeraX-CrystalContacts: 1.0.1 ChimeraX-DataFormats: 1.2.3 ChimeraX-Dicom: 1.2 ChimeraX-DistMonitor: 1.4 ChimeraX-DockPrep: 1.1.1 ChimeraX-Dssp: 2.0 ChimeraX-EMDB-SFF: 1.0 ChimeraX-ESMFold: 1.0 ChimeraX-FileHistory: 1.0.1 ChimeraX-FunctionKey: 1.0.1 ChimeraX-Geometry: 1.3 ChimeraX-gltf: 1.0 ChimeraX-Graphics: 1.1.1 ChimeraX-Hbonds: 2.4 ChimeraX-Help: 1.2.1 ChimeraX-HKCage: 1.3 ChimeraX-IHM: 1.1 ChimeraX-ImageFormats: 1.2 ChimeraX-IMOD: 1.0 ChimeraX-IO: 1.0.1 ChimeraX-ItemsInspection: 1.0.1 ChimeraX-Label: 1.1.7 ChimeraX-ListInfo: 1.1.1 ChimeraX-Log: 1.1.5 ChimeraX-LookingGlass: 1.1 ChimeraX-Maestro: 1.8.2 ChimeraX-Map: 1.1.4 ChimeraX-MapData: 2.0 ChimeraX-MapEraser: 1.0.1 ChimeraX-MapFilter: 2.0.1 ChimeraX-MapFit: 2.0 ChimeraX-MapSeries: 2.1.1 ChimeraX-Markers: 1.0.1 ChimeraX-Mask: 1.0.2 ChimeraX-MatchMaker: 2.0.12 ChimeraX-MDcrds: 2.6 ChimeraX-MedicalToolbar: 1.0.2 ChimeraX-Meeting: 1.0.1 ChimeraX-MLP: 1.1.1 ChimeraX-mmCIF: 2.12 ChimeraX-MMTF: 2.2 ChimeraX-Modeller: 1.5.9 ChimeraX-ModelPanel: 1.3.7 ChimeraX-ModelSeries: 1.0.1 ChimeraX-Mol2: 2.0 ChimeraX-Mole: 1.0 ChimeraX-Morph: 1.0.2 ChimeraX-MouseModes: 1.2 ChimeraX-Movie: 1.0 ChimeraX-Neuron: 1.0 ChimeraX-Nifti: 1.0 ChimeraX-NRRD: 1.0 ChimeraX-Nucleotides: 2.0.3 ChimeraX-OpenCommand: 1.10.1 ChimeraX-PDB: 2.7.2 ChimeraX-PDBBio: 1.0 ChimeraX-PDBLibrary: 1.0.2 ChimeraX-PDBMatrices: 1.0 ChimeraX-PickBlobs: 1.0.1 ChimeraX-Positions: 1.0 ChimeraX-PresetMgr: 1.1 ChimeraX-PubChem: 2.1 ChimeraX-ReadPbonds: 1.0.1 ChimeraX-Registration: 1.1.1 ChimeraX-RemoteControl: 1.0 ChimeraX-RenderByAttr: 1.1 ChimeraX-RenumberResidues: 1.1 ChimeraX-ResidueFit: 1.0.1 ChimeraX-RestServer: 1.1 ChimeraX-RNALayout: 1.0 ChimeraX-RotamerLibMgr: 3.0 ChimeraX-RotamerLibsDunbrack: 2.0 ChimeraX-RotamerLibsDynameomics: 2.0 ChimeraX-RotamerLibsRichardson: 2.0 ChimeraX-SaveCommand: 1.5.1 ChimeraX-SchemeMgr: 1.0 ChimeraX-SDF: 2.0.1 ChimeraX-Segger: 1.0 ChimeraX-Segment: 1.0.1 ChimeraX-SelInspector: 1.0 ChimeraX-SeqView: 2.8.3 ChimeraX-Shape: 1.0.1 ChimeraX-Shell: 1.0.1 ChimeraX-Shortcuts: 1.1.1 ChimeraX-ShowSequences: 1.0.1 ChimeraX-SideView: 1.0.1 ChimeraX-Smiles: 2.1 ChimeraX-SmoothLines: 1.0 ChimeraX-SpaceNavigator: 1.0 ChimeraX-StdCommands: 1.10.3 ChimeraX-STL: 1.0.1 ChimeraX-Storm: 1.0 ChimeraX-StructMeasure: 1.1.2 ChimeraX-Struts: 1.0.1 ChimeraX-Surface: 1.0.1 ChimeraX-SwapAA: 2.0.1 ChimeraX-SwapRes: 2.2.1 ChimeraX-TapeMeasure: 1.0 ChimeraX-Test: 1.0 ChimeraX-Toolbar: 1.1.2 ChimeraX-ToolshedUtils: 1.2.1 ChimeraX-Topography: 1.0 ChimeraX-Tug: 1.0.1 ChimeraX-UI: 1.28.4 ChimeraX-uniprot: 2.2.2 ChimeraX-UnitCell: 1.0.1 ChimeraX-ViewDockX: 1.2 ChimeraX-VIPERdb: 1.0 ChimeraX-Vive: 1.1 ChimeraX-VolumeMenu: 1.0.1 ChimeraX-VTK: 1.0 ChimeraX-WavefrontOBJ: 1.0 ChimeraX-WebCam: 1.0.2 ChimeraX-WebServices: 1.1.1 ChimeraX-Zone: 1.0.1 colorama: 0.4.6 comm: 0.1.3 contourpy: 1.0.7 cxservices: 1.2.2 cycler: 0.11.0 Cython: 0.29.33 debugpy: 1.6.7 decorator: 5.1.1 docutils: 0.19 executing: 1.2.0 filelock: 3.9.0 fonttools: 4.39.3 funcparserlib: 1.0.1 grako: 3.16.5 h5py: 3.8.0 html2text: 2020.1.16 idna: 3.4 ihm: 0.35 imagecodecs: 2022.2.22 imagesize: 1.4.1 importlib-metadata: 6.6.0 ipykernel: 6.21.1 ipython: 8.10.0 ipython-genutils: 0.2.0 ipywidgets: 8.0.6 jedi: 0.18.2 Jinja2: 3.1.2 jupyter-client: 8.0.2 jupyter-core: 5.3.0 jupyterlab-widgets: 3.0.7 kiwisolver: 1.4.4 line-profiler: 4.0.2 lxml: 4.9.2 lz4: 4.3.2 MarkupSafe: 2.1.2 matplotlib: 3.6.3 matplotlib-inline: 0.1.6 MolecularDynamicsViewer: 1.4 msgpack: 1.0.4 nest-asyncio: 1.5.6 netCDF4: 1.6.2 networkx: 2.8.8 nibabel: 5.0.1 nptyping: 2.5.0 numexpr: 2.8.4 numpy: 1.23.5 openvr: 1.23.701 packaging: 21.3 ParmEd: 3.4.3 parso: 0.8.3 pep517: 0.13.0 pexpect: 4.8.0 pickleshare: 0.7.5 Pillow: 9.3.0 pip: 23.0 pkginfo: 1.9.6 platformdirs: 3.5.0 prompt-toolkit: 3.0.38 psutil: 5.9.4 ptyprocess: 0.7.0 pure-eval: 0.2.2 pycollada: 0.7.2 pydicom: 2.3.0 Pygments: 2.14.0 pynrrd: 1.0.0 PyOpenGL: 3.1.5 PyOpenGL-accelerate: 3.1.5 pyparsing: 3.0.9 pyproject-hooks: 1.0.0 PyQt6-commercial: 6.4.2 PyQt6-Qt6: 6.4.3 PyQt6-sip: 13.4.1 PyQt6-WebEngine-commercial: 6.4.0 PyQt6-WebEngine-Qt6: 6.4.3 python-dateutil: 2.8.2 pytz: 2023.3 pyzmq: 25.0.2 qtconsole: 5.4.0 QtPy: 2.3.1 RandomWords: 0.4.0 requests: 2.28.2 scipy: 1.9.3 setuptools: 67.4.0 setuptools-scm: 7.0.5 sfftk-rw: 0.7.3 six: 1.16.0 snowballstemmer: 2.2.0 sortedcontainers: 2.4.0 soupsieve: 2.4.1 sphinx: 6.1.3 sphinx-autodoc-typehints: 1.22 sphinxcontrib-applehelp: 1.0.4 sphinxcontrib-blockdiag: 3.0.0 sphinxcontrib-devhelp: 1.0.2 sphinxcontrib-htmlhelp: 2.0.1 sphinxcontrib-jsmath: 1.0.1 sphinxcontrib-qthelp: 1.0.3 sphinxcontrib-serializinghtml: 1.1.5 stack-data: 0.6.2 tables: 3.7.0 tcia-utils: 1.2.0 tifffile: 2022.10.10 tinyarray: 1.2.4 tomli: 2.0.1 tornado: 6.3.1 traitlets: 5.9.0 typing-extensions: 4.5.0 tzdata: 2023.3 urllib3: 1.26.15 wcwidth: 0.2.6 webcolors: 1.12 wheel: 0.38.4 wheel-filename: 1.4.1 widgetsnbextension: 4.0.7 zipp: 3.15.0 }}} " defect closed normal Window Toolkit duplicate Tom Goddard all ChimeraX