@text

Bacillus stearothermophilus DNA Polymerase I
Stephanie Brookshire 
University of Southern Mississippi
12-8-00
PDB files 2bdp and 3bdp

 	DNA Polymerases are responsible for the accurate replication of genetic material.  DNA Polymerases copy DNA templates and check for correct base-pair formation.  DNA Polymerase I possesses catalytic activity and the ability to differentiate between correctly and incorrectly paired nucleotides as it inserts nucleotides and extends DNA.  Polymerase I has three enzymatic activities that aid in its replication of genetic material.  These are 5`-3` exonuclease activity, 3`-5` proofreading activity, and polymerase activity.  Unlike other DNA Polymerases such as Escherichia coli DNA Polymerase I, Bacillus stearothermophilus DNA Polymerase I does not possess 5`-3` exonuclease activity.  

	Bacillus stearothermophilus DNA Polymerase I is a member of the Pol I class polymerases.  The large polymerase fragment of this polymerase is designated BF.  The BF structure is divided into two domains, the C terminal domain and the N terminal domain.  The C terminal domain contains the catalytically efficient active site.  The N terminal domain is associated with 3`-5` proofreading exonuclease activity, but its absence in Bacillus stearothermophilus DNA Polymerase I is attributed to changes in catalytic residues that coordinate the divalent ions required for activity and to changes in secondary structural elements which result in the DNA-binding cleft of this domain being blocked.  

*{Kinemage 1}*

	The C terminal polymerase domain of BF corresponds to residues 469-876 (view 2).  The residues located in the active site are invariant in Bacillus as well as other members of the Pol I family.  The active site resides (view 4) are Arg 615, Arg 629, Asp 653, Glu 658, Tyr 714, Asn 793, Gln 797, His 829, Asp 830, and Glu 831.  There are three conserved carboxylate residues in BF that are essential for catalysis.  These are Asp 653, Asp 830, and Glu 831 (view 5).  They are interconnected by hydrogen bonding to water molecules.  The hydrogen bonding allows for stabilization of the strained conformation of the mainchain at His 829 (view 3).  His 829 precedes two of the catalytically important residues at the active site, Asp 830 and Glu 831.  

	Gln 797 is also a residue of the polymerase active site that participates in hydrogen bonding.  Gln 797 stabilizes Arg 615 (view 5).  Gln 797 is positively charged, and it is coordinated with Glu 658 and Asp 830 which are negatively charged side chains.  All four of these residues will have an effect on substrate binding if they are mutated.  

*{Kinemage 2}*

	The polymerase domain binds to DNA (view 3) through hydrogen bonding, ion pairs, and van der Waals contacts. There are no interactions between the protein and the nucleotide bases.  Only the sugar-phosphate backbone is involved in protein-DNA interactions.  There are extensive interactions in the minor groove of the first four base pairs extending from the 3` primer terminus (view 2).  Interactions in this minor groove region provide specificity for correctly paired bases.  Hydrogen bonds to Arg 615 (view 4) also form within this pocket of specificity.  The location of the primer 3` OH terminus is positioned well for catalysis in the active site.  A hydrogen bond is formed to Asp 830 (view 5), which is one of the residues essential for catalysis.  When this hydrogen bond forms, the sugar of the primer nucleotide is forced to adopt a C2`-endo conformation.  It is the only exception to the A-form DNA conformation of the first four bases.  Asp 830 directly activates the 3` OH of the sugar, which is positioned over Glu 658 (view 5).  

*{Kinemage 3}*

	The N terminal to the polymerase domain is shown through residues 297-468 (view 2).  The N terminal end of BF lacks 3`-5` exonuclease activity.  The structure of this domain demonstrates why this is so.  Two bound divalent cations are required for catalysis.  The four residues responsible for this critical metal-binding activity are Val 319, Glu 321, Ala 376, and Lys 450 (view 3).  Three of these residues are different from those present in the Klenow fragment of Escherichia coli.  Any mutation in the residues of the KF will disrupt metal binding and catalysis, so it is not surprising that BF lacks metal-binding ability and exonuclease activity.  Further, sequence and structural elements unique to BF disable any potential DNA binding sites.  Topological elements present in the active site cleft inhibit substrate binding.  The inactivation of the active site cleft (view 5) is attributed to the presence of four proline residues that are unique to BF.  These residues are prolines 403, 424, 438 and 441 (view 4).  These residues seem to divert the direction of the mainchain, as determined in KF where it is active.  Substrate binding by the cleft is inhibited by steric occlusion.  The extent of the unique elements in the BF exonuclease site demonstrate the basis for its loss of nucleoside monophosphate binding potential.

*{Kinemage 4}*

	Secondary structure is useful for highlighting features of the polymerase.  The C terminal polymerase domain resembles a right hand (view 2).  There are three subdomains.  They are the fingers, palm, and thumb subdomains.  The three subdomains outline a cleft that is responsible for binding DNA.  The fingers and thumb subdomains are characterized as helical structures (view 3). Substrate binding can be influenced by conformational changes in the fingers and thumb regions.  The thumb impacts DNA stabilization at the active site.  The palm subdomain mainly consists of anti-parallel sheets (view 4).  Parallel sheets are also present in the overall structure (view 5).  The thumb holds two long helices that form an anti-parallel coiled-coil (view 6) that is stabilized by hydrophobic interactions.  The N terminus (view 7) consists of both helices and beta sheets.

References:
Kiefer, James, Chen Mao, Jeffrey C. Braman and Lorena S. Beese. "Visualizing DNA Replication in a Catalytically Active Bacillus DNA Polymerase Crystal." Nature 391.15 (1998): 304-307.

Kiefer, James, Chen Mao, Connie J. Hansen, Scott L. Basehore, Holly H. Hogrefe, Jeffrey C. Braman and Lorena S. Beese. "Crystal structure of a thermostable Bacillus DNA polymerase l large fragment at 2.1 Å resolution." Structure 5:1 (1997): 95-108.

Pan, Hu, and Dale B. Wigley.  "Structure of the zinc-binding domain of Bacillus stearothermophilus DNA primase."  Structure 8.3 (2000): 231-239.

Coordinates from file 2bdp.pdb

Coordinates from file 3bdp.pdb
                                         

@kinemage 1
@caption

The C terminus of Bacillus stearothermophilus DNA Polymerase I is illustrated with emphasis on the active site and stabilization thereof.



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{ ca  ala a 300  B25.74}7.623 12.195 -3.339
{ ca  phe a 301  B23.35}8.373 15.721 -4.543
{ ca  thr a 302  B24.88}9.520 17.572 -7.636
{ ca  leu a 303  B28.01}13.094 18.754 -7.503
{ ca  ala a 304  B31.17}12.394 21.753 -9.742
{ ca  asp a 305  B35.18}14.988 23.427 -11.945
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{ ca  val a 307  B28.63}9.737 28.093 -10.762
{ ca  thr a 308  B28.23}6.293 27.194 -12.113
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{ ca  leu a 312  B22.60}2.744 30.059 -6.514
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{ ca  asp a 314  B24.07}-2.803 31.008 -2.668
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{ ca  ala a 317  B16.40}3.646 25.390 3.628
{ ca  leu a 318  B15.05}6.944 27.155 2.908
{ ca  val a 319  B14.08}10.464 26.339 4.015
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{ ca  val a 322  B15.31}18.937 28.922 6.943
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{ ca  asn a 326  B16.71}22.747 33.060 13.643
{ ca  tyr a 327  B12.86}20.700 33.890 10.535
{ ca  his a 328  B11.97}21.890 37.505 10.074
{ ca  asp a 329  B13.73}23.265 37.844 6.514
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{ ca  ala a 359  B18.07}6.650 38.685 -5.938
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{ ca  val a 378  B13.42}15.395 38.239 8.452
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{ ca  ala a 491  B12.77}17.978 47.309 11.988
{ ca  gly a 492  B12.55}20.526 46.503 14.702
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{ ca  thr a 497  B21.10}33.679 50.721 19.006
{ ca  lys a 498  B26.37}36.302 53.386 19.687
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{ ca  ala a 508  B34.54}42.706 46.546 31.729
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{ ca  leu a 511  B36.64}42.167 44.946 36.509
{ ca  gly a 512  B36.85}45.934 44.736 36.744
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{ ca  ile a 518  B33.94}45.002 40.705 45.533
{ ca  tyr a 519  B35.73}48.277 38.826 45.130
{ ca  glu a 520  B38.96}49.843 41.170 47.704
{ ca  leu a 521  B35.44}47.130 40.596 50.285
{ ca  ala a 522  B36.74}47.237 36.874 49.416
{ ca  gly a 523  B40.07}50.925 36.414 50.036
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{ ca  glu a 525  B39.78}49.737 34.584 42.996
{ ca  phe a 526  B35.61}46.878 32.288 41.925
{ ca  asn a 527  B34.85}44.004 32.096 39.415
{ ca  ile a 528  B33.38}41.402 34.460 40.871
{ ca  asn a 529  B37.00}38.918 32.892 38.432
{ ca  ser a 530  B40.48}39.762 29.406 39.629
{ ca  pro a 531  B42.87}37.171 28.505 42.262
{ ca  lys a 532  B42.60}39.409 25.892 43.798
{ ca  gln a 533  B38.82}42.382 28.270 43.876
{ ca  leu a 534  B32.55}40.305 31.045 45.392
{ ca  gly a 535  B30.94}38.851 28.751 48.075
{ ca  val a 536  B28.73}42.300 27.542 49.188
{ ca  ile a 537  B27.19}43.582 31.082 49.466
{ ca  leu a 538  B25.61}40.482 32.262 51.329
{ ca  phe a 539  B26.54}39.601 29.391 53.669
{ ca  glu a 540  B25.64}42.950 27.674 54.151
{ ca  lys a 541  B26.38}45.728 30.210 53.634
{ ca  leu a 542  B24.36}43.879 33.177 55.125
{ ca  gln a 543  B24.33}41.720 31.139 57.493
{ ca  leu a 544  B25.27}38.561 33.014 56.600
{ ca  pro a 545  B29.27}35.409 31.563 58.183
{ ca  val a 546  B35.97}33.557 28.985 56.119
{ ca  leu a 547  B44.07}29.933 29.894 56.738
{ ca  lys a 548  B50.71}28.742 28.169 53.540
{ ca  lys a 549  B53.88}30.020 24.734 52.471
{ ca  thr a 550  B54.14}29.901 24.054 48.719
{ ca  lys a 551  B54.57}29.165 20.432 47.670
{ ca  thr a 552  B54.61}32.721 19.357 48.557
{ ca  gly a 553  B51.51}34.659 22.555 49.044
{ ca  tyr a 554  B44.61}33.791 26.153 49.765
{ ca  ser a 555  B38.43}31.393 28.652 48.244
{ ca  thr a 556  B35.48}32.670 31.985 47.006
{ ca  ser a 557  B33.91}29.320 33.272 45.810
{ ca  ala a 558  B35.11}28.867 37.038 45.997
{ ca  asp a 559  B38.38}26.651 37.067 49.078
{ ca  val a 560  B36.57}29.112 34.815 50.916
{ ca  leu a 561  B34.40}32.042 37.094 50.086
{ ca  glu a 562  B36.40}29.780 39.986 50.984
{ ca  lys a 563  B32.65}29.442 38.389 54.435
{ ca  leu a 564  B28.44}33.212 37.783 54.769
{ ca  ala a 565  B27.55}34.258 41.246 53.649
{ ca  pro a 566  B27.84}34.542 42.417 57.291
{ ca  tyr a 567  B27.48}37.226 39.803 58.006
{ ca  his a 568  B25.63}39.865 40.589 55.390
{ ca  glu a 569  B26.27}40.837 43.368 52.937
{ ca  ile a 570  B24.50}41.238 40.818 50.157
{ ca  val a 571  B25.11}37.505 40.099 49.898
{ ca  glu a 572  B28.95}36.512 43.581 48.772
{ ca  asn a 573  B26.95}39.233 43.336 46.153
{ ca  ile a 574  B24.25}38.018 39.961 44.898
{ ca  leu a 575  B24.63}34.476 41.286 44.437
{ ca  his a 576  B25.78}35.760 44.361 42.587
{ ca  tyr a 577  B25.44}37.991 42.272 40.340
{ ca  arg a 578  B24.85}34.956 40.068 39.499
{ ca  gln a 579  B24.39}32.983 43.236 38.715
{ ca  leu a 580  B21.83}35.598 44.670 36.366
{ ca  gly a 581  B18.23}36.371 41.247 35.031
{ ca  lys a 582  B17.52}32.827 40.715 33.854
{ ca  leu a 583  B18.23}32.794 44.114 32.161
{ ca  gln a 584  B20.51}35.983 43.286 30.300
{ ca  ser a 585  B21.20}35.192 39.753 29.184
{ ca  thr a 586  B20.71}31.534 40.081 28.278
{ ca  tyr a 587  B19.64}30.703 43.721 27.676
{ ca  ile a 588  B20.62}33.916 44.833 25.975
{ ca  glu a 589  B21.43}35.692 41.843 24.410
{ ca  gly a 590  B20.20}32.583 39.745 23.890
{ ca  leu a 591  B20.09}30.720 42.732 22.470
{ ca  leu a 592  B20.78}33.491 43.678 20.083
{ ca  lys a 593  B19.47}33.455 40.068 18.842
{ ca  val a 594  B16.35}29.907 40.346 17.509
{ ca  val a 595  B17.72}29.957 43.904 16.147
{ ca  arg a 596  B18.79}29.762 43.882 12.329
{ ca  pro a 597  B20.99}33.053 45.366 11.008
{ ca  asp a 598  B20.10}31.428 47.201 8.105
{ ca  thr a 599  B17.14}28.505 48.930 9.826
{ ca  lys a 600  B17.83}29.656 48.737 13.484
{ ca  lys a 601  B15.39}26.196 47.460 14.303
{ ca  val a 602  B14.91}25.261 44.639 16.591
{ ca  his a 603  B12.95}22.269 42.481 15.516
{ ca  thr a 604  B11.73}20.825 40.466 18.371
{ ca  ile a 605  B12.19}18.342 37.660 17.832
{ ca  phe a 606  B13.60}15.332 37.699 20.085
{ ca  asn a 607  B11.55}14.327 34.152 20.880
{ ca  gln a 608  B10.67}10.529 34.400 20.905
{ ca  ala a 609  B11.16}9.913 30.727 21.731
{ ca  leu a 610  B11.99}12.083 29.940 24.717
{ ca  thr a 611  B12.27}11.100 31.327 28.133
{ ca  gln a 612  B11.33}8.535 29.529 30.254
{ ca  thr a 613  B11.70}6.686 32.761 31.081
{ ca  gly a 614  B10.78}6.243 34.378 27.674
{ ca  arg a 615  B11.22}9.203 36.765 27.926
{ ca  leu a 616  B11.20}11.690 37.076 25.067
{ ca  ser a 617  B11.88}15.381 36.207 25.451
{ ca  ser a 618  B12.54}18.221 37.896 23.527
{ ca  thr a 619  B14.16}21.517 36.420 22.278
{ ca  glu a 620  B17.78}24.638 37.238 20.270
{ ca  pro a 621  B15.33}24.786 39.625 21.946
{ ca  asn a 622  B12.86}22.357 39.603 24.857
{ ca  leu a 623  B13.46}21.193 43.212 24.788
{ ca  gln a 624  B10.80}18.825 42.529 27.710
{ ca  asn a 625  B12.85}21.574 42.319 30.346
{ ca  ile a 626  B13.94}23.754 45.368 29.655
{ ca  pro a 627  B15.09}25.095 46.821 32.943
{ ca  ile a 628  B18.17}23.242 49.637 34.707
{ ca  arg a 629  B24.04}23.367 49.151 38.489
{ ca  leu a 630  B24.05}26.991 50.065 39.179
{ ca  glu a 631  B24.93}28.266 53.284 37.567
{ ca  glu a 632  B25.23}31.414 51.642 36.333
{ ca  gly a 633  B20.98}29.439 49.177 34.223
{ ca  arg a 634  B19.84}26.611 51.526 33.348
{ ca  lys a 635  B20.40}29.129 53.548 31.333
{ ca  ile a 636  B18.39}29.229 50.639 28.858
{ ca  arg a 637  B16.26}25.932 52.129 27.626
{ ca  gln a 638  B17.94}27.755 55.185 26.309
{ ca  ala a 639  B16.57}28.961 52.877 23.504
{ ca  phe a 640  B15.40}25.405 52.265 22.269
{ ca  val a 641  B14.33}24.599 55.175 19.990
{ ca  pro a 642  B15.06}22.052 56.250 17.336
{ ca  ser a 643  B18.76}22.505 54.744 13.856
{ ca  glu a 644  B22.74}22.075 58.068 12.047
{ ca  ser a 645  B21.80}23.320 61.638 12.373
{ ca  asp a 646  B21.96}21.249 63.865 14.579
{ ca  trp a 647  B17.63}19.194 60.984 15.947
{ ca  leu a 648  B14.88}18.804 60.197 19.657
{ ca  ile a 649  B13.83}18.066 57.180 21.864
{ ca  phe a 650  B13.32}14.608 57.148 23.470
{ ca  ala a 651  B13.41}13.864 54.762 26.374
{ ca  ala a 652  B13.37}10.442 54.175 27.949
{ ca  asp a 653  B13.31}9.811 51.851 30.923
{ ca  tyr a 654  B13.00}6.776 50.668 32.877
{ ca  ser a 655  B13.71}6.892 51.699 36.539
{ ca  gln a 656  B12.70}6.221 48.610 38.730
{ ca  ile a 657  B12.41}4.203 46.730 36.104
{ ca  glu a 658  B12.32}4.414 43.385 37.983
{ ca  leu a 659  B11.80}3.010 44.792 41.222
{ ca  arg a 660  B11.11}0.334 46.715 39.281
{ ca  val a 661  B12.19}-0.528 43.494 37.463
{ ca  leu a 662  B12.04}-0.692 41.747 40.885
{ ca  ala a 663  B12.26}-3.012 44.462 42.217
{ ca  his a 664  B13.42}-5.286 43.873 39.214
{ ca  ile a 665  B15.03}-5.403 40.047 39.269
{ ca  ala a 666  B15.86}-5.626 39.773 43.076
{ ca  glu a 667  B18.37}-8.057 42.686 43.160
{ ca  asp a 668  B16.58}-6.494 43.646 46.490
{ ca  asp a 669  B17.33}-8.190 46.851 47.668
{ ca  asn a 670  B15.57}-5.155 48.140 49.576
{ ca  leu a 671  B15.36}-2.723 47.421 46.719
{ ca  met a 672  B14.91}-5.117 48.892 44.154
{ ca  glu a 673  B14.28}-5.640 52.041 46.193
{ ca  ala a 674  B14.66}-1.851 52.418 46.586
{ ca  phe a 675  B14.01}-1.343 52.461 42.819
{ ca  arg a 676  B15.13}-4.397 54.687 42.301
{ ca  arg a 677  B15.14}-2.573 57.251 44.521
{ ca  asp a 678  B16.66}0.633 56.398 42.598
{ ca  leu a 679  B17.17}2.436 55.918 45.949
{ ca  asp a 680  B17.33}5.975 54.665 46.343
{ ca  ile a 681  B16.81}4.911 51.020 46.939
{ ca  his a 682  B14.46}7.968 50.070 48.893
{ ca  thr a 683  B13.49}7.432 52.931 51.329
{ ca  lys a 684  B14.95}3.737 51.994 51.426
{ ca  thr a 685  B14.32}4.460 48.327 52.074
{ ca  ala a 686  B14.76}6.882 49.282 54.903
{ ca  met a 687  B16.40}4.235 51.560 56.463
{ ca  asp a 688  B18.18}1.770 48.693 56.483
{ ca  ile a 689  B19.25}3.946 45.771 57.571
{ ca  phe a 690  B21.50}5.894 47.718 60.194
{ ca  gln a 691  B27.35}2.828 49.706 61.214
{ ca  val a 692  B24.99}4.318 53.193 61.035
{ ca  ser a 693  B25.77}3.369 56.430 59.300
{ ca  glu a 694  B28.95}5.211 57.506 56.177
{ ca  asp a 695  B31.38}7.258 59.912 58.279
{ ca  glu a 696  B27.75}8.655 57.142 60.383
{ ca  val a 697  B21.99}9.675 54.656 57.729
{ ca  thr a 698  B17.40}13.458 54.593 57.697
{ ca  pro a 699  B15.75}15.756 53.674 54.813
{ ca  asn a 700  B14.02}16.299 50.230 56.376
{ ca  met a 701  B14.93}12.533 49.639 56.616
{ ca  arg a 702  B14.62}12.031 50.589 52.938
{ ca  arg a 703  B14.41}14.883 48.298 51.876
{ ca  gln a 704  B15.09}13.354 45.347 53.673
{ ca  ala a 705  B14.54}9.768 46.089 52.518
{ ca  lys a 706  B13.77}11.173 46.219 48.960
{ ca  ala a 707  B13.82}12.665 42.758 49.479
{ ca  val a 708  B14.43}9.249 41.535 50.656
{ ca  asn a 709  B16.24}7.622 42.967 47.535
{ ca  phe a 710  B18.23}10.206 41.092 45.415
{ ca  gly a 711  B17.90}9.485 37.868 47.240
{ ca  ile a 712  B17.80}5.751 38.285 46.817
{ ca  val a 713  B16.21}6.118 38.575 43.034
{ ca  tyr a 714  B18.30}8.674 35.742 42.757
{ ca  gly a 715  B20.96}6.413 33.401 44.761
{ ca  ile a 716  B24.14}7.006 33.958 48.479
{ ca  ser a 717  B26.06}8.766 31.546 50.861
{ ca  asp a 718  B28.54}10.269 32.288 54.281
{ ca  tyr a 719  B30.34}13.586 30.690 53.355
{ ca  gly a 720  B25.07}13.930 32.655 50.126
{ ca  leu a 721  B22.37}13.207 35.942 51.911
{ ca  ala a 722  B22.50}15.405 34.987 54.917
{ ca  gln a 723  B25.22}18.281 34.293 52.532
{ ca  asn a 724  B23.35}17.754 37.540 50.661
{ ca  leu a 725  B21.31}17.525 39.703 53.804
{ ca  asn a 726  B23.98}20.085 37.695 55.775
{ ca  ile a 727  B23.95}17.635 37.150 58.661
{ ca  ser a 728  B24.39}16.177 34.016 60.256
{ ca  arg a 729  B28.34}13.400 31.988 58.733
{ ca  lys a 730  B27.55}11.058 32.798 61.601
{ ca  glu a 731  B24.61}11.708 36.527 61.163
{ ca  ala a 732  B21.42}11.081 36.282 57.415
{ ca  ala a 733  B19.78}7.885 34.317 58.074
{ ca  glu a 734  B21.25}6.796 37.146 60.380
{ ca  phe a 735  B18.72}7.376 39.750 57.640
{ ca  ile a 736  B17.47}5.280 37.613 55.283
{ ca  glu a 737  B23.07}2.430 37.149 57.749
{ ca  arg a 738  B21.06}2.289 40.899 58.351
{ ca  tyr a 739  B17.66}2.282 41.446 54.563
{ ca  phe a 740  B18.05}-0.702 39.158 54.086
{ ca  glu a 741  B19.77}-2.494 40.902 56.941
{ ca  ser a 742  B17.33}-2.187 44.235 55.082
{ ca  phe a 743  B15.15}-2.828 42.710 51.619
{ ca  pro a 744  B15.42}-5.514 40.015 52.227
{ ca  gly a 745  B15.35}-6.583 40.046 48.591
{ ca  val a 746  B14.99}-3.052 39.130 47.516
{ ca  lys a 747  B16.92}-3.065 36.391 50.152
{ ca  arg a 748  B18.64}-6.286 34.990 48.699
{ ca  tyr a 749  B16.42}-4.868 35.114 45.133
{ ca  met a 750  B15.01}-1.714 33.195 46.128
{ ca  glu a 751  B16.31}-3.797 30.514 47.836
{ ca  asn a 752  B15.64}-6.289 30.406 44.933
{ ca  ile a 753  B15.45}-3.794 30.369 42.085
{ ca  val a 754  B17.19}-2.001 27.382 43.667
{ ca  gln a 755  B20.43}-5.266 25.401 44.050
{ ca  glu a 756  B19.57}-6.230 26.356 40.484
{ ca  ala a 757  B16.12}-2.898 25.136 39.119
{ ca  lys a 758  B18.86}-3.611 21.898 41.004
{ ca  gln a 759  B16.88}-7.196 21.732 39.712
{ ca  lys a 760  B16.25}-6.560 22.597 36.045
{ ca  gly a 761  B13.22}-2.948 21.420 35.652
{ ca  tyr a 762  B13.67}-1.632 24.827 34.531
{ ca  val a 763  B13.83}-1.805 28.585 35.127
{ ca  thr a 764  B15.02}-2.493 31.335 32.584
{ ca  thr a 765  B13.12}-1.800 34.999 31.933
{ ca  leu a 766  B15.63}-4.029 37.960 30.953
{ ca  leu a 767  B13.89}-3.808 37.121 27.253
{ ca  his a 768  B14.56}-4.199 33.340 27.768
{ ca  arg a 769  B13.93}-0.587 32.233 27.636
{ ca  arg a 770  B13.47}-0.281 29.036 29.658
{ ca  arg a 771  B11.97}2.249 27.026 31.642
{ ca  tyr a 772  B12.86}1.597 23.485 32.847
{ ca  leu a 773  B12.98}2.860 22.735 36.323
{ ca  pro a 774  B16.16}2.877 18.937 36.813
{ ca  asp a 775  B16.10}5.154 19.182 39.881
{ ca  ile a 776  B16.78}2.488 21.004 41.848
{ ca  thr a 777  B18.44}1.079 17.580 42.842
{ ca  ser a 778  B20.05}4.503 16.160 43.777
{ ca  arg a 779  B22.27}4.875 14.561 47.188
{ ca  asn a 780  B22.89}8.396 15.976 47.472
{ ca  phe a 781  B21.59}8.121 19.267 49.386
{ ca  asn a 782  B21.92}10.928 21.045 47.525
{ ca  val a 783  B19.00}9.756 19.972 44.087
{ ca  arg a 784  B16.67}6.147 20.880 44.925
{ ca  ser a 785  B16.65}7.144 24.248 46.406
{ ca  phe a 786  B15.60}9.091 25.262 43.291
{ ca  ala a 787  B12.67}5.909 24.609 41.260
{ ca  glu a 788  B13.77}3.783 26.569 43.734
{ ca  arg a 789  B13.48}6.152 29.531 43.367
{ ca  met a 790  B12.27}5.843 29.238 39.568
{ ca  ala a 791  B10.68}2.068 29.181 39.924
{ ca  met a 792  B13.06}2.299 32.388 41.909
{ ca  asn a 793  B11.89}4.854 34.155 39.674
{ ca  thr a 794  B12.86}4.081 33.026 36.104
{ ca  pro a 795  B11.59}0.700 34.808 35.753
{ ca  ile a 796  B12.15}2.470 37.996 36.959
{ ca  gln a 797  B11.37}5.692 37.921 34.932
{ ca  gly a 798  B10.95}3.753 36.388 32.018
{ ca  ser a 799  B10.59}0.921 38.949 31.981
{ ca  ala a 800  B11.83}3.547 41.712 32.119
{ ca  ala a 801  B11.55}5.161 40.070 29.066
{ ca  asp a 802  B10.03}1.767 39.940 27.305
{ ca  ile a 803  B10.35}1.226 43.638 27.973
{ ca  ile a 804  B10.09}4.529 44.958 26.636
{ ca  lys a 805  B11.59}4.268 42.700 23.556
{ ca  lys a 806  B12.41}0.853 44.168 22.738
{ ca  ala a 807  B11.83}2.292 47.664 23.384
{ ca  met a 808  B11.48}4.994 46.994 20.788
{ ca  ile a 809  B11.75}2.347 46.046 18.185
{ ca  asp a 810  B11.67}0.203 49.084 19.049
{ ca  leu a 811  B12.40}3.275 51.340 18.947
{ ca  asn a 812  B13.28}4.408 50.245 15.515
{ ca  ala a 813  B14.51}0.917 50.791 14.133
{ ca  arg a 814  B15.57}0.953 54.341 15.566
{ ca  leu a 815  B15.50}4.474 54.938 14.295
{ ca  lys a 816  B19.00}3.327 53.939 10.807
{ ca  glu a 817  B18.67}0.162 56.081 10.888
{ ca  glu a 818  B18.11}2.261 59.097 11.838
{ ca  arg a 819  B18.01}4.955 58.177 9.278
{ ca  leu a 820  B16.33}7.503 58.842 12.023
{ ca  gln a 821  B15.03}11.039 57.687 11.259
{ ca  ala a 822  B13.05}11.411 56.485 14.856
{ ca  his a 823  B13.12}11.682 52.717 15.277
{ ca  leu a 824  B11.76}12.174 50.091 18.013
{ ca  leu a 825  B11.56}15.694 48.819 18.680
{ ca  leu a 826  B12.54}15.174 46.765 21.830
{ ca  gln a 827  B12.68}12.793 45.447 24.451
{ ca  val a 828  B12.68}14.061 44.497 27.887
{ ca  his a 829  B10.21}11.070 42.990 29.648
{ ca  asp a 830  B11.90}9.359 46.145 30.890
{ ca  glu a 831  B14.46}11.031 48.793 28.737
{ ca  leu a 832  B12.67}11.211 49.727 25.044
{ ca  ile a 833  B13.38}14.258 51.388 23.509
{ ca  leu a 834  B13.43}13.971 53.320 20.234
{ ca  glu a 835  B11.51}16.108 55.741 18.212
{ ca  ala a 836  B12.49}14.703 58.609 16.196
{ ca  pro a 837  B13.32}15.571 61.964 14.631
{ ca  lys a 838  B16.43}16.078 64.548 17.358
{ ca  glu a 839  B16.60}13.148 66.350 15.723
{ ca  glu a 840  B14.21}10.796 63.546 16.729
{ ca  met a 841  B14.41}11.584 63.503 20.442
{ ca  glu a 842  B15.36}8.737 65.767 21.516
{ ca  arg a 843  B15.95}6.219 63.636 19.631
{ ca  leu a 844  B15.99}7.685 60.429 21.073
{ ca  cys a 845  B15.50}7.513 61.815 24.602
{ ca  arg a 846  B16.06}3.743 61.924 24.252
{ ca  leu a 847  B15.48}3.179 58.961 21.939
{ ca  val a 848  B15.19}5.246 56.096 23.406
{ ca  pro a 849  B14.69}4.134 56.402 27.046
{ ca  glu a 850  B15.62}0.482 56.704 25.996
{ ca  val a 851  B14.14}0.569 53.617 23.770
{ ca  met a 852  B12.73}2.362 51.590 26.474
{ ca  glu a 853  B13.92}-0.004 52.802 29.195
{ ca  gln a 854  B15.31}-3.088 52.066 27.076
{ ca  ala a 855  B15.95}-2.043 48.641 25.670
{ ca  val a 856  B17.81}-4.403 46.946 28.138
{ ca  thr a 857  B18.96}-6.931 48.322 30.660
{ ca  leu a 858  B16.01}-6.400 47.130 34.248
{ ca  arg a 859  B15.67}-8.161 47.872 37.556
{ ca  val a 860  B14.93}-5.260 50.186 38.275
{ ca  pro a 861  B15.37}-3.509 52.642 35.948
{ ca  leu a 862  B15.95}-0.351 51.697 34.089
{ ca  lys a 863  B16.24}2.424 54.287 34.280
{ ca  val a 864  B13.89}5.399 54.761 31.969
{ ca  asp a 865  B16.18}8.523 56.857 32.534
{ ca  tyr a 866  B15.34}10.798 57.941 29.693
{ ca  his a 867  B15.60}14.131 59.566 28.894
{ ca  tyr a 868  B15.40}16.209 60.256 25.832
{ ca  gly a 869  B13.57}19.775 61.305 25.063
{ ca  ser a 870  B15.41}22.708 61.051 22.678
{ ca  thr a 871  B14.74}23.631 57.547 23.885
{ ca  trp a 872  B14.86}21.787 54.712 25.645
{ ca  tyr a 873  B18.48}23.631 55.817 28.807
{ ca  asp a 874  B22.32}22.119 59.295 28.504
{ ca  ala a 875  B25.49}18.624 57.935 27.993
{ ca  lys a 876  B27.91}18.162 58.334 31.763
@group {2bdpp} nobutton dominant
@subgroup {mainchain}
@vectorlist {backbone} color= yellowtint master= {Calphas}
{ c4*   g p 8  B51.63}P 28.300 17.134 28.497
{ c1*   g p 8  B48.81}29.113 18.860 29.887
{ c4*   g p 8  B51.63}P 28.300 17.134 28.497
{ p     c p 9  B54.02}25.334 17.950 30.955
{ c4*   c p 9  B49.15}27.592 18.732 34.085
{ c1*   c p 9  B45.96}28.393 20.945 34.049
{ c4*   c p 9  B49.15}P 27.592 18.732 34.085
{ p     a p 10  B49.33}25.871 20.299 37.235
{ c4*   a p 10  B41.39}28.959 21.993 39.008
{ c1*   a p 10  B36.46}29.200 24.107 37.976
{ c4*   a p 10  B41.39}P 28.959 21.993 39.008
{ p     t p 11  B42.88}28.638 24.458 42.062
{ c4*   t p 11  B38.06}31.112 27.228 40.805
{ c1*   t p 11  B34.70}30.146 28.723 39.281
{ c4*   t p 11  B38.06}P 31.112 27.228 40.805
{ p     g p 12  B39.05}30.752 30.323 43.233
{ c4*   g p 12  B31.05}31.235 33.138 40.586
{ c1*   g p 12  B29.52}29.435 33.312 39.154
{ c4*   g p 12  B31.05}P 31.235 33.138 40.586
{ p     a p 13  B26.38}29.695 36.622 41.673
{ c4*   a p 13  B21.42}29.971 38.478 38.320
{ c1*   a p 13  B20.15}28.676 37.512 36.637
{ c4*   a p 13  B21.42}P 29.971 38.478 38.320
{ p     t p 14  B20.24}27.980 41.825 38.605
{ c4*   t p 14  B17.52}26.384 42.254 35.045
{ c1*   t p 14  B16.33}24.921 40.590 34.255
{ c4*   t p 14  B17.52}P 26.384 42.254 35.045
{ p     g p 15  B17.34}23.572 44.732 36.207
{ c4*   g p 15  B15.65}20.864 44.272 33.418
{ c1*   g p 15  B13.86}19.746 42.216 33.454
@group {2bdpt} nobutton dominant
@subgroup {mainchain}
@vectorlist {backbone} color= green master= {Calphas}
{ p     a t 26  B55.85}P 16.893 30.580 47.531
{ c4*   a t 26  B39.74}13.516 31.564 45.878
{ c1*   a t 26  B34.50}13.616 33.804 45.256
{ c4*   a t 26  B39.74}P 13.516 31.564 45.878
{ p     g t 27  B26.78}13.058 30.362 42.541
{ c4*   g t 27  B19.34}10.358 32.217 40.448
{ c1*   g t 27  B16.49}10.999 34.316 39.644
{ c4*   g t 27  B19.34}P 10.358 32.217 40.448
{ p     c t 28  B13.70}11.099 30.165 37.227
{ c4*   c t 28  B13.81}11.182 32.906 34.425
{ p     a t 29  B12.05}13.049 30.810 31.659
{ c4*   a t 29  B12.13}15.795 33.156 30.156
{ c1*   a t 29  B13.04}17.027 34.759 31.349
{ c4*   a t 29  B12.13}P 15.795 33.156 30.156
{ p     t t 30  B15.65}18.406 32.340 27.439
{ c4*   t t 30  B13.90}21.055 35.123 26.964
{ c1*   t t 30  B13.19}22.725 34.655 28.576
{ c4*   t t 30  B13.90}P 21.055 35.123 26.964
{ p     c t 31  B16.64}24.187 34.468 24.728
{ c4*   c t 31  B22.23}26.999 35.988 26.974
{ c1*   c t 31  B22.43}27.659 34.545 28.705
{ c4*   c t 31  B22.23}P 26.999 35.988 26.974
{ p     a t 32  B27.99}30.682 35.377 25.770
{ c4*   a t 32  B27.01}32.752 35.578 29.101
{ c1*   a t 32  B26.08}32.568 33.525 30.246
{ c4*   a t 32  B27.01}P 32.752 35.578 29.101
{ p     t t 33  B31.06}36.512 34.521 29.010
{ c4*   t t 33  B32.11}36.500 32.531 32.337
{ c1*   t t 33  B31.30}35.273 30.654 32.616
{ c4*   t t 33  B32.11}P 36.500 32.531 32.337
{ p     g t 34  B36.00}39.808 30.601 33.179
{ c4*   g t 34  B35.33}38.345 28.315 35.983
{ c1*   g t 34  B34.40}37.439 26.436 34.883
{ c4*   g t 34  B35.33}P 38.345 28.315 35.983
{ p     c t 35  B38.58}40.657 25.470 37.374
{ c4*   c t 35  B42.77}38.428 22.254 37.298
{ c1*   c t 35  B41.31}37.940 21.542 35.121
@group {2bdp} nobutton dominant
@subgroup {het groups} master= {hets}
@spherelist {het M} color= gray nobutton master= {hets} radius= 0.500
{Mg    mg   950 }11.047 49.895 35.245
@vectorlist {het} color= pink master= {hets}
{ s   so4   910  0.80 B34.39}P 13.586 52.021 44.031
{"}13.586 52.021 44.031
{ o1  so4   910  0.80 B35.72}14.180 51.267 42.781
{ s   so4   910  0.80 B34.39}P 13.586 52.021 44.031
{ o2  so4   910  0.80 B33.82}12.009 51.865 44.062
{ s   so4   910  0.80 B34.39}P 13.586 52.021 44.031
{ o3  so4   910  0.80 B34.23}14.241 51.358 45.416
{ s   so4   910  0.80 B34.39}P 13.586 52.021 44.031
{ o4  so4   910  0.80 B35.64}13.985 53.653 43.918
{ s   so4   911  0.88 B33.05}P -2.574 54.668 6.499
{"}-2.574 54.668 6.499
{ o1  so4   911  0.88 B34.01}-1.085 54.524 5.977
{ s   so4   911  0.88 B33.05}P -2.574 54.668 6.499
{ o2  so4   911  0.88 B34.56}-3.434 53.426 6.019
{ s   so4   911  0.88 B33.05}P -2.574 54.668 6.499
{ o3  so4   911  0.88 B33.56}-2.570 54.706 8.175
{ s   so4   911  0.88 B33.05}P -2.574 54.668 6.499
{ o4  so4   911  0.88 B34.52}-3.242 56.084 5.872
{ s   so4   912  B40.17}P 4.191 9.673 -1.335
{"}4.191 9.673 -1.335
{ o1  so4   912  B41.98}5.350 10.553 -0.725
{ s   so4   912  B40.17}P 4.191 9.673 -1.335
{ o2  so4   912  B41.98}4.708 8.947 -2.637
{ s   so4   912  B40.17}P 4.191 9.673 -1.335
{ o3  so4   912  B43.11}3.757 8.492 -0.234
{ s   so4   912  B40.17}P 4.191 9.673 -1.335
{ o4  so4   912  B40.93}2.873 10.663 -1.686
{Mg    mg   950  B27.39}P 11.047 49.895 35.245
{"}11.047 49.895 35.245
@group {mainchain} dominant
@subgroup {mainchain}
@vectorlist {Calphas} color= sky nobutton master= {Calphas}
{ ca  leu a 616  B11.20}P 11.690 37.076 25.067
{ ca  ala a 651  B13.41}P 13.864 54.762 26.374
{ ca  ala a 652  B13.37}10.442 54.175 27.949
{ ca  asp a 653  B13.31}9.811 51.851 30.923
{ ca  tyr a 654  B13.00}6.776 50.668 32.877
{ ca  ser a 655  B13.71}6.892 51.699 36.539
{ ca  ile a 657  B12.41}P 4.203 46.730 36.104
{ ca  ala a 800  B11.83}P 3.547 41.712 32.119
{ ca  ile a 804  B10.09}P 4.529 44.958 26.636
{ ca  lys a 805  B11.59}4.268 42.700 23.556
{ ca  met a 808  B11.48}P 4.994 46.994 20.788
{ ca  gln a 827  B12.68}P 12.793 45.447 24.451
{ ca  val a 828  B12.68}14.061 44.497 27.887
{ ca  his a 829  B10.21}11.070 42.990 29.648
{ ca  asp a 830  B11.90}9.359 46.145 30.890
{ ca  glu a 831  B14.46}11.031 48.793 28.737
{ ca  leu a 832  B12.67}11.211 49.727 25.044
{ ca  ile a 833  B13.38}14.258 51.388 23.509
{ ca  val a 864  B13.89}P 5.399 54.761 31.969
{ ca  asp a 865  B16.18}8.523 56.857 32.534
@group {H bond} dominant
@subgroup {} nobutton
@vectorlist {Drawn} color= pinktint
{ oe1 gln a 797 }P U 9.858 36.254 33.281
{ ne  arg a 615 }U 10.417 38.174 32.549
@group {His 829} dominant
@subgroup {sidechain} master= {sidechain}
@balllist {sc N} color= sky nobutton master= {sidechain} master= {atoms} radius= 0.200
{ nd1 his a 829 }12.724 40.459 29.592
{ ne2 his a 829 }14.735 40.393 30.313
@vectorlist {sc} color= cyan master= {sidechain}
{ ca  his a 829 }P 11.070 42.990 29.648
{ cb  his a 829 }11.697 42.357 30.888
{ cg  his a 829 }12.828 41.440 30.555
{ nd1 his a 829 }12.724 40.459 29.592
{ ce1 his a 829 }13.883 39.845 29.464
{ ne2 his a 829 }14.735 40.393 30.313
{"}P 14.735 40.393 30.313
{ ce1 his a 829 }13.883 39.845 29.464
{ cg  his a 829 }P 12.828 41.440 30.555
{ cd2 his a 829 }14.100 41.390 31.006
{ ne2 his a 829 }14.735 40.393 30.313
{ ce1 his a 829 }13.883 39.845 29.464
@group {carbox res} dominant
@subgroup {sidechain} master= {sidechain}
@balllist {sc O} color= red nobutton master= {sidechain} master= {atoms} radius= 0.200
{ od1 asp a 653 }11.493 53.905 32.490
{ od2 asp a 653 }10.927 52.477 34.062
{ od1 asp a 830 }11.528 46.797 32.559
{ od2 asp a 830 }10.233 47.350 34.249
{ oe1 glu a 831 }14.496 49.407 31.216
{ oe2 glu a 831 }15.897 48.806 29.660
@vectorlist {sc} color= cyan master= {sidechain}
{ ca  asp a 653 }P 9.811 51.851 30.923
{ cb  asp a 653 }11.031 51.654 31.825
{ cg  asp a 653 }11.162 52.755 32.867
{ od1 asp a 653 }11.493 53.905 32.490
{ cg  asp a 653 }P 11.162 52.755 32.867
{ od2 asp a 653 }10.927 52.477 34.062
{ ca  asp a 830 }P 9.359 46.145 30.890
{ cb  asp a 830 }9.191 46.226 32.412
{ cg  asp a 830 }10.408 46.834 33.118
{ od1 asp a 830 }11.528 46.797 32.559
{ cg  asp a 830 }P 10.408 46.834 33.118
{ od2 asp a 830 }10.233 47.350 34.249
{ ca  glu a 831 }P 11.031 48.793 28.737
{ cb  glu a 831 }12.296 49.360 29.419
{ cg  glu a 831 }13.567 48.603 29.132
{ cd  glu a 831 }14.731 48.969 30.070
{ oe1 glu a 831 }14.496 49.407 31.216
{ cd  glu a 831 }P 14.731 48.969 30.070
{ oe2 glu a 831 }15.897 48.806 29.660
@group {Gln797/Arg615} dominant
@subgroup {sidechain} master= {sidechain}
@balllist {sc N} color= sky nobutton master= {sidechain} master= {atoms} radius= 0.200
{ ne  arg a 615 }10.600 38.805 32.308
{ nh1 arg a 615 }12.761 38.836 33.156
{ nh2 arg a 615 }11.107 40.097 34.141
{ ne2 gln a 797 }9.918 36.195 35.682
@balllist {sc O} color= red nobutton master= {sidechain} master= {atoms} radius= 0.200
{ oe1 gln a 797 }9.675 35.623 33.522
@vectorlist {sc} color= cyan master= {sidechain}
{ ca  arg a 615 }P 9.203 36.765 27.926
{ cb  arg a 615 }10.174 36.859 29.107
{ cg  arg a 615 }9.766 37.757 30.238
{ cd  arg a 615 }10.911 37.871 31.227
{ ne  arg a 615 }10.600 38.805 32.308
{ cz  arg a 615 }11.489 39.243 33.202
{ nh1 arg a 615 }12.761 38.836 33.156
{ cz  arg a 615 }P 11.489 39.243 33.202
{ nh2 arg a 615 }11.107 40.097 34.141
{ ca  gln a 797 }P 5.692 37.921 34.932
{ cb  gln a 797 }6.905 36.992 35.199
{ cg  gln a 797 }8.177 37.336 34.375
{ cd  gln a 797 }9.328 36.301 34.496
{ oe1 gln a 797 }9.675 35.623 33.522
{ cd  gln a 797 }P 9.328 36.301 34.496
{ ne2 gln a 797 }9.918 36.195 35.682
@group {2bdpa} nobutton dominant
@subgroup {sidechain} master= {sidechain}
@balllist {sc N} color= sky nobutton master= {sidechain} master= {atoms} radius= 0.200
{ ne  arg a 615 }10.600 38.805 32.308
{ nh1 arg a 615 }12.761 38.836 33.156
{ nh2 arg a 615 }11.107 40.097 34.141
{ nd2 asn a 793 }7.490 35.908 39.247
{ ne2 gln a 797 }9.918 36.195 35.682
{ nd1 his a 829 }12.724 40.459 29.592
{ ne2 his a 829 }14.735 40.393 30.313
@balllist {sc O} color= red nobutton master= {sidechain} master= {atoms} radius= 0.200
{ oe1 glu a 658 }8.266 41.463 38.411
{ oe2 glu a 658 }8.026 40.389 36.489
{ oh  tyr a 714 }13.728 39.582 40.965
{ od1 asn a 793 }7.627 34.168 37.831
{ oe1 gln a 797 }9.675 35.623 33.522
@vectorlist {sc} color= cyan master= {sidechain}
{ ca  arg a 615 }P 9.203 36.765 27.926
{ cb  arg a 615 }10.174 36.859 29.107
{ cg  arg a 615 }9.766 37.757 30.238
{ cd  arg a 615 }10.911 37.871 31.227
{ ne  arg a 615 }10.600 38.805 32.308
{ cz  arg a 615 }11.489 39.243 33.202
{ nh1 arg a 615 }12.761 38.836 33.156
{ cz  arg a 615 }P 11.489 39.243 33.202
{ nh2 arg a 615 }11.107 40.097 34.141
{ ca  arg a 629 }P 23.367 49.151 38.489
{ cb  arg a 629 }23.189 47.826 39.207
{ cg  arg a 629 }21.764 47.386 39.230
{ cd  arg a 629 }21.595 46.226 38.278
{ ne  arg a 629 }20.191 45.911 38.042
{ cz  arg a 629 }19.686 44.686 38.126
{ nh1 arg a 629 }20.483 43.663 38.444
{ cz  arg a 629 }P 19.686 44.686 38.126
{ nh2 arg a 629 }18.388 44.502 37.903
{ ca  glu a 658 }P 4.414 43.385 37.983
{ cb  glu a 658 }5.683 42.604 38.362
{ cg  glu a 658 }6.346 41.993 37.096
{ cd  glu a 658 }7.638 41.226 37.355
{ oe1 glu a 658 }8.266 41.463 38.411
{ cd  glu a 658 }P 7.638 41.226 37.355
{ oe2 glu a 658 }8.026 40.389 36.489
{ ca  tyr a 714 }P 8.674 35.742 42.757
{ cb  tyr a 714 }10.106 35.800 43.337
{ cg  tyr a 714 }11.045 36.846 42.723
{ cd1 tyr a 714 }10.706 37.539 41.557
{ ce1 tyr a 714 }11.604 38.459 40.965
{ cz  tyr a 714 }12.853 38.688 41.549
{ oh  tyr a 714 }13.728 39.582 40.965
{ cg  tyr a 714 }P 11.045 36.846 42.723
{ cd2 tyr a 714 }12.304 37.103 43.292
{ ce2 tyr a 714 }13.209 38.020 42.708
{ cz  tyr a 714 }12.853 38.688 41.549
{ ca  asn a 793 }P 4.854 34.155 39.674
{ cb  asn a 793 }6.347 33.846 39.824
{ cg  asn a 793 }7.210 34.660 38.880
{ od1 asn a 793 }7.627 34.168 37.831
{ cg  asn a 793 }P 7.210 34.660 38.880
{ nd2 asn a 793 }7.490 35.908 39.247
{ ca  gln a 797 }P 5.692 37.921 34.932
{ cb  gln a 797 }6.905 36.992 35.199
{ cg  gln a 797 }8.177 37.336 34.375
{ cd  gln a 797 }9.328 36.301 34.496
{ oe1 gln a 797 }9.675 35.623 33.522
{ cd  gln a 797 }P 9.328 36.301 34.496
{ ne2 gln a 797 }9.918 36.195 35.682
{ ca  his a 829 }P 11.070 42.990 29.648
{ cb  his a 829 }11.697 42.357 30.888
{ cg  his a 829 }12.828 41.440 30.555
{ nd1 his a 829 }12.724 40.459 29.592
{ ce1 his a 829 }13.883 39.845 29.464
{ ne2 his a 829 }14.735 40.393 30.313
{"}P 14.735 40.393 30.313
{ ce1 his a 829 }13.883 39.845 29.464
{ cg  his a 829 }P 12.828 41.440 30.555
{ cd2 his a 829 }14.100 41.390 31.006
{ ne2 his a 829 }14.735 40.393 30.313
{ ce1 his a 829 }13.883 39.845 29.464

@text

 coordinates from file: 2bdp.PDB 


@kinemage 2
@caption
DNA Polymerase I with DNA primer templates bound at the polymerase active site. 
 
@onewidth
@viewid {overview}
@zoom 1.20
@zslab 200
@ztran 0
@center 20.711 35.726 24.565
@matrix
0.820573 -0.565192 -0.084959 0.560900 0.824899 -0.070230 0.109776 0.009975 0.993906
@2viewid {primer}
@2zoom 6.07
@2zslab 171
@2ztran 0
@2center 16.065 43.061 36.008
@2matrix
0.830877 -0.554592 0.045496 0.549381 0.830564 0.091349 -0.088449 -0.050905 0.994779
@3viewid {DNA}
@3zoom 1.63
@3zslab 171
@3ztran 0
@3center 27.178 31.322 38.015
@3matrix
0.558467 -0.752922 -0.348170 0.367788 0.600954 -0.709638 0.743537 0.268257 0.612529
@4viewid {Arg 615 P}
@4zoom 6.33
@4zslab 171
@4ztran 0
@4center 18.134 40.146 33.773
@4matrix
0.894420 -0.143517 -0.423575 0.093097 0.986112 -0.137534 0.437431 0.083580 0.895359
@5viewid {Asp 830 P}
@5zoom 6.33
@5zslab 171
@5ztran 0
@5center 11.528 46.797 32.559
@5matrix
0.986648 -0.131446 0.096163 0.135621 0.990023 -0.038224 -0.090179 0.050755 0.994632
@master {Calphas}
@master {hets}
@master {mainchain}
@master {pseudo_mc}
@master {sidechain}
@master {subunit 1}
@master {subunit 2}
@master {subunit 3}
@master {water}
@master {atoms}
@group {2bdpa} nobutton dominant
@subgroup {mainchain}
@vectorlist {Calphas} color= sky master= {Calphas}
{ ca  ala a 297  B40.35}P 9.171 5.102 2.627
{"}9.171 5.102 2.627
{ ca  ala a 298  B38.24}10.662 8.168 0.877
{ ca  met a 299  B30.80}8.518 11.222 0.198
{ ca  ala a 300  B25.74}7.623 12.195 -3.339
{ ca  phe a 301  B23.35}8.373 15.721 -4.543
{ ca  thr a 302  B24.88}9.520 17.572 -7.636
{ ca  leu a 303  B28.01}13.094 18.754 -7.503
{ ca  ala a 304  B31.17}12.394 21.753 -9.742
{ ca  asp a 305  B35.18}14.988 23.427 -11.945
{ ca  arg a 306  B33.30}12.785 26.502 -12.471
{ ca  val a 307  B28.63}9.737 28.093 -10.762
{ ca  thr a 308  B28.23}6.293 27.194 -12.113
{ ca  glu a 309  B30.27}2.896 28.851 -11.596
{ ca  glu a 310  B28.64}1.825 25.727 -9.730
{ ca  met a 311  B25.00}4.306 26.595 -6.995
{ ca  leu a 312  B22.60}2.744 30.059 -6.514
{ ca  ala a 313  B22.95}-0.604 29.013 -5.096
{ ca  asp a 314  B24.07}-2.803 31.008 -2.668
{ ca  lys a 315  B21.20}-1.732 28.813 0.257
{ ca  ala a 316  B18.30}1.319 26.719 0.959
{ ca  ala a 317  B16.40}3.646 25.390 3.628
{ ca  leu a 318  B15.05}6.944 27.155 2.908
{ ca  val a 319  B14.08}10.464 26.339 4.015
{ ca  val a 320  B14.06}13.305 28.826 3.449
{ ca  glu a 321  B14.60}16.212 27.063 5.083
{ ca  val a 322  B15.31}18.937 28.922 6.943
{ ca  val a 323  B17.62}21.141 26.392 8.716
{ ca  glu a 324  B22.55}23.544 28.786 10.418
{ ca  glu a 325  B22.63}22.217 29.316 13.956
{ ca  asn a 326  B16.71}22.747 33.060 13.643
{ ca  tyr a 327  B12.86}20.700 33.890 10.535
{ ca  his a 328  B11.97}21.890 37.505 10.074
{ ca  asp a 329  B13.73}23.265 37.844 6.514
{ ca  ala a 330  B14.04}23.385 34.033 6.410
{ ca  pro a 331  B15.68}22.954 31.742 3.391
{ ca  ile a 332  B18.80}19.583 30.352 2.356
{ ca  val a 333  B20.72}20.390 26.673 1.810
{ ca  gly a 334  B17.71}17.274 25.594 -0.062
{ ca  ile a 335  B18.01}13.561 26.048 -0.455
{ ca  ala a 336  B16.29}10.552 23.724 -0.261
{ ca  val a 337  B16.42}6.929 24.419 -1.120
{ ca  val a 338  B19.21}3.981 22.092 -0.472
{ ca  asn a 339  B22.29}0.479 23.058 -1.553
{ ca  glu a 340  B25.98}-2.608 21.599 -3.218
{ ca  his a 341  B24.45}-0.603 20.971 -6.402
{ ca  gly a 342  B21.29}2.119 18.928 -4.783
{ ca  arg a 343  B19.73}5.547 19.041 -3.189
{ ca  phe a 344  B20.10}8.446 21.049 -4.612
{ ca  phe a 345  B21.09}12.105 21.735 -3.790
{ ca  leu a 346  B23.66}13.755 24.804 -5.292
{ ca  arg a 347  B26.09}17.410 25.781 -5.459
{ ca  pro a 348  B27.18}17.779 29.164 -3.790
{ ca  glu a 349  B30.84}19.925 30.773 -6.480
{ ca  thr a 350  B29.74}17.141 30.089 -8.916
{ ca  ala a 351  B25.17}14.098 30.815 -6.782
{ ca  leu a 352  B24.40}15.324 34.089 -5.288
{ ca  ala a 353  B27.19}16.375 35.256 -8.746
{ ca  asp a 354  B28.40}12.878 34.644 -10.133
{ ca  pro a 355  B27.52}10.660 37.781 -10.167
{ ca  gln a 356  B26.50}7.453 35.715 -9.886
{ ca  phe a 357  B21.85}8.693 33.778 -6.867
{ ca  val a 358  B19.56}9.940 36.941 -5.186
{ ca  ala a 359  B18.07}6.650 38.685 -5.938
{ ca  trp a 360  B17.82}4.808 35.674 -4.536
{ ca  leu a 361  B17.53}6.953 35.850 -1.379
{ ca  gly a 362  B18.60}5.973 39.499 -0.925
{ ca  asp a 363  B21.33}2.277 39.161 -1.757
{ ca  glu a 364  B23.49}0.407 39.272 1.563
{ ca  thr a 365  B22.35}-2.643 37.657 -0.091
{ ca  lys a 366  B20.48}-0.668 34.475 -0.778
{ ca  lys a 367  B18.47}-0.725 32.681 2.590
{ ca  lys a 368  B15.68}2.238 30.709 3.841
{ ca  ser a 369  B14.70}2.538 28.348 6.794
{ ca  met a 370  B12.45}6.077 28.121 8.175
{ ca  phe a 371  B11.42}8.185 27.163 11.214
{ ca  asp a 372  B12.01}10.193 30.118 12.618
{ ca  ser a 373  B11.55}9.170 32.576 9.909
{ ca  lys a 374  B11.58}11.245 35.291 11.638
{ ca  arg a 375  B11.48}14.461 33.428 10.722
{ ca  ala a 376  B12.58}13.366 33.342 7.037
{ ca  ala a 377  B12.66}12.077 36.940 7.118
{ ca  val a 378  B13.42}15.395 38.239 8.452
{ ca  ala a 379  B12.89}17.592 36.113 6.149
{ ca  leu a 380  B13.56}15.506 37.529 3.286
{ ca  lys a 381  B13.31}15.708 41.187 4.515
{ ca  trp a 382  B14.19}19.507 40.874 4.265
{ ca  lys a 383  B16.92}19.015 39.863 0.613
{ ca  gly a 384  B16.71}16.634 42.747 -0.036
{ ca  ile a 385  B16.84}13.556 40.505 -0.215
{ ca  glu a 386  B19.49}10.258 40.994 1.665
{ ca  leu a 387  B15.22}8.357 38.029 3.048
{ ca  cys a 388  B15.39}4.626 38.632 3.560
{ ca  gly a 389  B15.15}1.489 36.605 4.151
{ ca  val a 390  B16.09}2.792 34.277 6.878
{ ca  ser a 391  B15.12}-0.525 33.222 8.427
{ ca  phe a 392  B12.63}0.701 30.359 10.597
{ ca  asp a 393  B12.62}4.034 29.781 12.335
{ ca  leu a 394  B12.00}4.318 26.292 13.793
{ ca  leu a 395  B11.51}7.176 27.251 16.122
{ ca  leu a 396  B12.03}5.063 29.944 17.797
{ ca  ala a 397  B11.27}1.974 27.664 17.831
{ ca  ala a 398  B12.14}3.966 24.918 19.576
{ ca  tyr a 399  B11.95}5.427 27.384 22.041
{ ca  leu a 400  B11.33}1.987 28.698 23.050
{ ca  leu a 401  B12.71}0.593 25.179 23.468
{ ca  asp a 402  B13.50}3.408 24.151 25.815
{ ca  pro a 403  B13.99}6.588 26.245 26.389
{ ca  ala a 404  B16.17}8.088 23.367 28.340
{ ca  gln a 405  B21.18}8.383 21.077 25.332
{ ca  gly a 406  B21.46}11.400 23.130 24.276
{ ca  val a 407  B20.29}10.325 22.834 20.633
{ ca  asp a 408  B20.39}13.124 24.098 18.378
{ ca  asp a 409  B15.81}12.640 22.177 15.113
{ ca  val a 410  B13.26}9.709 20.894 13.056
{ ca  arg a 411  B16.49}10.335 17.326 14.269
{ ca  ala a 412  B14.31}9.780 18.264 17.891
{ ca  ala a 413  B13.62}6.565 20.127 17.100
{ ca  ala a 414  B14.72}5.270 17.262 14.925
{ ca  lys a 415  B19.97}5.932 14.684 17.650
{ ca  met a 416  B21.25}3.457 16.536 19.868
{ ca  lys a 417  B18.40}0.783 15.192 17.586
{ ca  gln a 418  B18.65}2.261 11.741 16.901
{ ca  tyr a 419  B15.94}3.625 12.773 13.499
{ ca  glu a 420  B15.75}7.135 11.390 13.047
{ ca  ala a 421  B14.68}7.615 11.389 9.231
{ ca  val a 422  B15.89}10.276 14.091 9.508
{ ca  arg a 423  B17.83}13.790 14.051 10.941
{ ca  pro a 424  B17.76}15.133 16.309 13.702
{ ca  asp a 425  B17.96}17.394 19.007 12.242
{ ca  glu a 426  B21.20}20.361 17.883 14.316
{ ca  ala a 427  B20.82}20.027 14.431 12.803
{ ca  val a 428  B23.63}20.539 15.724 9.288
{ ca  tyr a 429  B25.96}22.882 18.680 9.907
{ ca  gly a 430  B34.33}24.861 17.301 12.826
{ ca  lys a 431  B44.63}26.197 19.338 15.741
{ ca  gly a 432  B48.51}29.236 21.591 16.040
{ ca  ala a 433  B51.28}32.333 20.559 14.094
{ ca  lys a 434  B50.75}30.076 18.027 12.425
{ ca  arg a 435  B46.41}27.386 20.571 11.616
{ ca  ala a 436  B38.77}27.003 20.838 7.833
{ ca  val a 437  B33.69}24.485 21.003 5.003
{ ca  pro a 438  B30.97}24.075 17.575 3.382
{ ca  asp a 439  B30.95}24.180 16.930 -0.350
{ ca  glu a 440  B27.85}21.150 17.968 -2.404
{ ca  pro a 441  B27.21}19.320 14.633 -2.385
{ ca  val a 442  B24.23}19.359 14.495 1.424
{ ca  leu a 443  B20.73}18.822 18.247 1.912
{ ca  ala a 444  B20.31}15.903 18.361 -0.508
{ ca  glu a 445  B21.21}14.071 15.462 1.091
{ ca  his a 446  B18.38}14.428 16.945 4.575
{ ca  leu a 447  B15.62}13.065 20.360 3.579
{ ca  val a 448  B15.53}10.151 18.764 1.733
{ ca  arg a 449  B13.78}9.315 16.561 4.739
{ ca  lys a 450  B12.74}9.386 19.608 7.022
{ ca  ala a 451  B12.72}7.085 21.536 4.682
{ ca  ala a 452  B13.99}4.833 18.469 4.500
{ ca  ala a 453  B13.32}4.661 18.243 8.306
{ ca  ile a 454  B13.73}3.756 21.933 8.495
{ ca  trp a 455  B15.74}1.074 21.489 5.837
{ ca  glu a 456  B18.69}-0.400 18.574 7.762
{ ca  leu a 457  B17.19}-0.070 19.986 11.279
{ ca  glu a 458  B16.90}-1.476 23.475 10.824
{ ca  arg a 459  B19.36}-5.115 22.482 11.391
{ ca  pro a 460  B16.81}-4.667 20.334 14.496
{ ca  phe a 461  B15.06}-2.438 22.991 16.097
{ ca  leu a 462  B15.66}-4.928 25.785 15.322
{ ca  asp a 463  B18.15}-7.805 23.654 16.630
{ ca  glu a 464  B16.09}-6.048 23.020 19.927
{ ca  leu a 465  B14.08}-5.065 26.701 20.228
{ ca  arg a 466  B19.12}-8.739 27.621 19.747
{ ca  arg a 467  B17.46}-9.790 25.080 22.420
{ ca  asn a 468  B13.56}-7.162 26.677 24.700
{ ca  glu a 469  B17.84}-8.538 30.167 23.878
{ ca  gln a 470  B15.68}-5.079 30.912 22.417
{ ca  asp a 471  B17.62}-6.100 31.404 18.795
{ ca  arg a 472  B17.87}-5.994 35.216 19.074
{ ca  leu a 473  B14.20}-2.763 34.933 21.146
{ ca  leu a 474  B13.75}-1.082 33.397 18.119
{ ca  val a 475  B14.58}-2.698 35.371 15.302
{ ca  glu a 476  B15.56}-3.049 38.795 16.889
{ ca  leu a 477  B12.56}-0.089 38.884 19.264
{ ca  glu a 478  B10.95}2.821 36.509 18.630
{ ca  gln a 479  B11.72}2.756 36.330 14.824
{ ca  pro a 480  B12.58}2.521 40.123 14.332
{ ca  leu a 481  B11.37}5.189 40.564 17.037
{ ca  ser a 482  B11.57}7.451 38.173 15.157
{ ca  ser a 483  B12.47}7.504 40.624 12.208
{ ca  ile a 484  B10.78}8.298 43.527 14.526
{ ca  leu a 485  B10.18}11.193 41.596 16.102
{ ca  ala a 486  B10.52}12.554 40.771 12.644
{ ca  glu a 487  B12.55}12.597 44.495 11.885
{ ca  met a 488  B11.19}14.365 45.288 15.199
{ ca  glu a 489  B11.33}17.011 42.589 14.714
{ ca  phe a 490  B13.58}17.638 43.593 11.131
{ ca  ala a 491  B12.77}17.978 47.309 11.988
{ ca  gly a 492  B12.55}20.526 46.503 14.702
{ ca  val a 493  B12.50}22.093 48.910 17.197
{ ca  lys a 494  B14.58}25.110 51.066 16.333
{ ca  val a 495  B15.51}28.154 50.641 18.527
{ ca  asp a 496  B18.14}30.852 53.252 19.147
{ ca  thr a 497  B21.10}33.679 50.721 19.006
{ ca  lys a 498  B26.37}36.302 53.386 19.687
{ ca  arg a 499  B27.95}34.632 54.277 22.970
{ ca  leu a 500  B27.85}34.512 50.558 23.785
{ ca  glu a 501  B31.85}38.217 50.069 23.057
{ ca  gln a 502  B35.90}39.093 53.115 25.192
{ ca  met a 503  B35.78}37.054 51.653 28.057
{ ca  gly a 504  B35.34}38.603 48.258 27.467
{ ca  lys a 505  B36.92}41.992 49.912 27.710
{ ca  glu a 506  B37.05}41.291 51.608 31.006
{ ca  leu a 507  B35.46}39.534 48.531 32.375
{ ca  ala a 508  B34.54}42.706 46.546 31.729
{ ca  glu a 509  B37.71}44.735 48.981 33.822
{ ca  gln a 510  B38.12}42.314 48.731 36.739
{ ca  leu a 511  B36.64}42.167 44.946 36.509
{ ca  gly a 512  B36.85}45.934 44.736 36.744
{ ca  thr a 513  B37.56}46.017 47.004 39.806
{ ca  val a 514  B37.55}43.294 45.074 41.608
{ ca  glu a 515  B37.45}44.952 41.816 40.600
{ ca  gln a 516  B38.74}48.369 42.847 41.887
{ ca  arg a 517  B37.40}46.783 44.040 45.145
{ ca  ile a 518  B33.94}45.002 40.705 45.533
{ ca  tyr a 519  B35.73}48.277 38.826 45.130
{ ca  glu a 520  B38.96}49.843 41.170 47.704
{ ca  leu a 521  B35.44}47.130 40.596 50.285
{ ca  ala a 522  B36.74}47.237 36.874 49.416
{ ca  gly a 523  B40.07}50.925 36.414 50.036
{ ca  gln a 524  B41.37}51.212 35.041 46.485
{ ca  glu a 525  B39.78}49.737 34.584 42.996
{ ca  phe a 526  B35.61}46.878 32.288 41.925
{ ca  asn a 527  B34.85}44.004 32.096 39.415
{ ca  ile a 528  B33.38}41.402 34.460 40.871
{ ca  asn a 529  B37.00}38.918 32.892 38.432
{ ca  ser a 530  B40.48}39.762 29.406 39.629
{ ca  pro a 531  B42.87}37.171 28.505 42.262
{ ca  lys a 532  B42.60}39.409 25.892 43.798
{ ca  gln a 533  B38.82}42.382 28.270 43.876
{ ca  leu a 534  B32.55}40.305 31.045 45.392
{ ca  gly a 535  B30.94}38.851 28.751 48.075
{ ca  val a 536  B28.73}42.300 27.542 49.188
{ ca  ile a 537  B27.19}43.582 31.082 49.466
{ ca  leu a 538  B25.61}40.482 32.262 51.329
{ ca  phe a 539  B26.54}39.601 29.391 53.669
{ ca  glu a 540  B25.64}42.950 27.674 54.151
{ ca  lys a 541  B26.38}45.728 30.210 53.634
{ ca  leu a 542  B24.36}43.879 33.177 55.125
{ ca  gln a 543  B24.33}41.720 31.139 57.493
{ ca  leu a 544  B25.27}38.561 33.014 56.600
{ ca  pro a 545  B29.27}35.409 31.563 58.183
{ ca  val a 546  B35.97}33.557 28.985 56.119
{ ca  leu a 547  B44.07}29.933 29.894 56.738
{ ca  lys a 548  B50.71}28.742 28.169 53.540
{ ca  lys a 549  B53.88}30.020 24.734 52.471
{ ca  thr a 550  B54.14}29.901 24.054 48.719
{ ca  lys a 551  B54.57}29.165 20.432 47.670
{ ca  thr a 552  B54.61}32.721 19.357 48.557
{ ca  gly a 553  B51.51}34.659 22.555 49.044
{ ca  tyr a 554  B44.61}33.791 26.153 49.765
{ ca  ser a 555  B38.43}31.393 28.652 48.244
{ ca  thr a 556  B35.48}32.670 31.985 47.006
{ ca  ser a 557  B33.91}29.320 33.272 45.810
{ ca  ala a 558  B35.11}28.867 37.038 45.997
{ ca  asp a 559  B38.38}26.651 37.067 49.078
{ ca  val a 560  B36.57}29.112 34.815 50.916
{ ca  leu a 561  B34.40}32.042 37.094 50.086
{ ca  glu a 562  B36.40}29.780 39.986 50.984
{ ca  lys a 563  B32.65}29.442 38.389 54.435
{ ca  leu a 564  B28.44}33.212 37.783 54.769
{ ca  ala a 565  B27.55}34.258 41.246 53.649
{ ca  pro a 566  B27.84}34.542 42.417 57.291
{ ca  tyr a 567  B27.48}37.226 39.803 58.006
{ ca  his a 568  B25.63}39.865 40.589 55.390
{ ca  glu a 569  B26.27}40.837 43.368 52.937
{ ca  ile a 570  B24.50}41.238 40.818 50.157
{ ca  val a 571  B25.11}37.505 40.099 49.898
{ ca  glu a 572  B28.95}36.512 43.581 48.772
{ ca  asn a 573  B26.95}39.233 43.336 46.153
{ ca  ile a 574  B24.25}38.018 39.961 44.898
{ ca  leu a 575  B24.63}34.476 41.286 44.437
{ ca  his a 576  B25.78}35.760 44.361 42.587
{ ca  tyr a 577  B25.44}37.991 42.272 40.340
{ ca  arg a 578  B24.85}34.956 40.068 39.499
{ ca  gln a 579  B24.39}32.983 43.236 38.715
{ ca  leu a 580  B21.83}35.598 44.670 36.366
{ ca  gly a 581  B18.23}36.371 41.247 35.031
{ ca  lys a 582  B17.52}32.827 40.715 33.854
{ ca  leu a 583  B18.23}32.794 44.114 32.161
{ ca  gln a 584  B20.51}35.983 43.286 30.300
{ ca  ser a 585  B21.20}35.192 39.753 29.184
{ ca  thr a 586  B20.71}31.534 40.081 28.278
{ ca  tyr a 587  B19.64}30.703 43.721 27.676
{ ca  ile a 588  B20.62}33.916 44.833 25.975
{ ca  glu a 589  B21.43}35.692 41.843 24.410
{ ca  gly a 590  B20.20}32.583 39.745 23.890
{ ca  leu a 591  B20.09}30.720 42.732 22.470
{ ca  leu a 592  B20.78}33.491 43.678 20.083
{ ca  lys a 593  B19.47}33.455 40.068 18.842
{ ca  val a 594  B16.35}29.907 40.346 17.509
{ ca  val a 595  B17.72}29.957 43.904 16.147
{ ca  arg a 596  B18.79}29.762 43.882 12.329
{ ca  pro a 597  B20.99}33.053 45.366 11.008
{ ca  asp a 598  B20.10}31.428 47.201 8.105
{ ca  thr a 599  B17.14}28.505 48.930 9.826
{ ca  lys a 600  B17.83}29.656 48.737 13.484
{ ca  lys a 601  B15.39}26.196 47.460 14.303
{ ca  val a 602  B14.91}25.261 44.639 16.591
{ ca  his a 603  B12.95}22.269 42.481 15.516
{ ca  thr a 604  B11.73}20.825 40.466 18.371
{ ca  ile a 605  B12.19}18.342 37.660 17.832
{ ca  phe a 606  B13.60}15.332 37.699 20.085
{ ca  asn a 607  B11.55}14.327 34.152 20.880
{ ca  gln a 608  B10.67}10.529 34.400 20.905
{ ca  ala a 609  B11.16}9.913 30.727 21.731
{ ca  leu a 610  B11.99}12.083 29.940 24.717
{ ca  thr a 611  B12.27}11.100 31.327 28.133
{ ca  gln a 612  B11.33}8.535 29.529 30.254
{ ca  thr a 613  B11.70}6.686 32.761 31.081
{ ca  gly a 614  B10.78}6.243 34.378 27.674
{ ca  arg a 615  B11.22}9.203 36.765 27.926
{ ca  leu a 616  B11.20}11.690 37.076 25.067
{ ca  ser a 617  B11.88}15.381 36.207 25.451
{ ca  ser a 618  B12.54}18.221 37.896 23.527
{ ca  thr a 619  B14.16}21.517 36.420 22.278
{ ca  glu a 620  B17.78}24.638 37.238 20.270
{ ca  pro a 621  B15.33}24.786 39.625 21.946
{ ca  asn a 622  B12.86}22.357 39.603 24.857
{ ca  leu a 623  B13.46}21.193 43.212 24.788
{ ca  gln a 624  B10.80}18.825 42.529 27.710
{ ca  asn a 625  B12.85}21.574 42.319 30.346
{ ca  ile a 626  B13.94}23.754 45.368 29.655
{ ca  pro a 627  B15.09}25.095 46.821 32.943
{ ca  ile a 628  B18.17}23.242 49.637 34.707
{ ca  arg a 629  B24.04}23.367 49.151 38.489
{ ca  leu a 630  B24.05}26.991 50.065 39.179
{ ca  glu a 631  B24.93}28.266 53.284 37.567
{ ca  glu a 632  B25.23}31.414 51.642 36.333
{ ca  gly a 633  B20.98}29.439 49.177 34.223
{ ca  arg a 634  B19.84}26.611 51.526 33.348
{ ca  lys a 635  B20.40}29.129 53.548 31.333
{ ca  ile a 636  B18.39}29.229 50.639 28.858
{ ca  arg a 637  B16.26}25.932 52.129 27.626
{ ca  gln a 638  B17.94}27.755 55.185 26.309
{ ca  ala a 639  B16.57}28.961 52.877 23.504
{ ca  phe a 640  B15.40}25.405 52.265 22.269
{ ca  val a 641  B14.33}24.599 55.175 19.990
{ ca  pro a 642  B15.06}22.052 56.250 17.336
{ ca  ser a 643  B18.76}22.505 54.744 13.856
{ ca  glu a 644  B22.74}22.075 58.068 12.047
{ ca  ser a 645  B21.80}23.320 61.638 12.373
{ ca  asp a 646  B21.96}21.249 63.865 14.579
{ ca  trp a 647  B17.63}19.194 60.984 15.947
{ ca  leu a 648  B14.88}18.804 60.197 19.657
{ ca  ile a 649  B13.83}18.066 57.180 21.864
{ ca  phe a 650  B13.32}14.608 57.148 23.470
{ ca  ala a 651  B13.41}13.864 54.762 26.374
{ ca  ala a 652  B13.37}10.442 54.175 27.949
{ ca  asp a 653  B13.31}9.811 51.851 30.923
{ ca  tyr a 654  B13.00}6.776 50.668 32.877
{ ca  ser a 655  B13.71}6.892 51.699 36.539
{ ca  gln a 656  B12.70}6.221 48.610 38.730
{ ca  ile a 657  B12.41}4.203 46.730 36.104
{ ca  glu a 658  B12.32}4.414 43.385 37.983
{ ca  leu a 659  B11.80}3.010 44.792 41.222
{ ca  arg a 660  B11.11}0.334 46.715 39.281
{ ca  val a 661  B12.19}-0.528 43.494 37.463
{ ca  leu a 662  B12.04}-0.692 41.747 40.885
{ ca  ala a 663  B12.26}-3.012 44.462 42.217
{ ca  his a 664  B13.42}-5.286 43.873 39.214
{ ca  ile a 665  B15.03}-5.403 40.047 39.269
{ ca  ala a 666  B15.86}-5.626 39.773 43.076
{ ca  glu a 667  B18.37}-8.057 42.686 43.160
{ ca  asp a 668  B16.58}-6.494 43.646 46.490
{ ca  asp a 669  B17.33}-8.190 46.851 47.668
{ ca  asn a 670  B15.57}-5.155 48.140 49.576
{ ca  leu a 671  B15.36}-2.723 47.421 46.719
{ ca  met a 672  B14.91}-5.117 48.892 44.154
{ ca  glu a 673  B14.28}-5.640 52.041 46.193
{ ca  ala a 674  B14.66}-1.851 52.418 46.586
{ ca  phe a 675  B14.01}-1.343 52.461 42.819
{ ca  arg a 676  B15.13}-4.397 54.687 42.301
{ ca  arg a 677  B15.14}-2.573 57.251 44.521
{ ca  asp a 678  B16.66}0.633 56.398 42.598
{ ca  leu a 679  B17.17}2.436 55.918 45.949
{ ca  asp a 680  B17.33}5.975 54.665 46.343
{ ca  ile a 681  B16.81}4.911 51.020 46.939
{ ca  his a 682  B14.46}7.968 50.070 48.893
{ ca  thr a 683  B13.49}7.432 52.931 51.329
{ ca  lys a 684  B14.95}3.737 51.994 51.426
{ ca  thr a 685  B14.32}4.460 48.327 52.074
{ ca  ala a 686  B14.76}6.882 49.282 54.903
{ ca  met a 687  B16.40}4.235 51.560 56.463
{ ca  asp a 688  B18.18}1.770 48.693 56.483
{ ca  ile a 689  B19.25}3.946 45.771 57.571
{ ca  phe a 690  B21.50}5.894 47.718 60.194
{ ca  gln a 691  B27.35}2.828 49.706 61.214
{ ca  val a 692  B24.99}4.318 53.193 61.035
{ ca  ser a 693  B25.77}3.369 56.430 59.300
{ ca  glu a 694  B28.95}5.211 57.506 56.177
{ ca  asp a 695  B31.38}7.258 59.912 58.279
{ ca  glu a 696  B27.75}8.655 57.142 60.383
{ ca  val a 697  B21.99}9.675 54.656 57.729
{ ca  thr a 698  B17.40}13.458 54.593 57.697
{ ca  pro a 699  B15.75}15.756 53.674 54.813
{ ca  asn a 700  B14.02}16.299 50.230 56.376
{ ca  met a 701  B14.93}12.533 49.639 56.616
{ ca  arg a 702  B14.62}12.031 50.589 52.938
{ ca  arg a 703  B14.41}14.883 48.298 51.876
{ ca  gln a 704  B15.09}13.354 45.347 53.673
{ ca  ala a 705  B14.54}9.768 46.089 52.518
{ ca  lys a 706  B13.77}11.173 46.219 48.960
{ ca  ala a 707  B13.82}12.665 42.758 49.479
{ ca  val a 708  B14.43}9.249 41.535 50.656
{ ca  asn a 709  B16.24}7.622 42.967 47.535
{ ca  phe a 710  B18.23}10.206 41.092 45.415
{ ca  gly a 711  B17.90}9.485 37.868 47.240
{ ca  ile a 712  B17.80}5.751 38.285 46.817
{ ca  val a 713  B16.21}6.118 38.575 43.034
{ ca  tyr a 714  B18.30}8.674 35.742 42.757
{ ca  gly a 715  B20.96}6.413 33.401 44.761
{ ca  ile a 716  B24.14}7.006 33.958 48.479
{ ca  ser a 717  B26.06}8.766 31.546 50.861
{ ca  asp a 718  B28.54}10.269 32.288 54.281
{ ca  tyr a 719  B30.34}13.586 30.690 53.355
{ ca  gly a 720  B25.07}13.930 32.655 50.126
{ ca  leu a 721  B22.37}13.207 35.942 51.911
{ ca  ala a 722  B22.50}15.405 34.987 54.917
{ ca  gln a 723  B25.22}18.281 34.293 52.532
{ ca  asn a 724  B23.35}17.754 37.540 50.661
{ ca  leu a 725  B21.31}17.525 39.703 53.804
{ ca  asn a 726  B23.98}20.085 37.695 55.775
{ ca  ile a 727  B23.95}17.635 37.150 58.661
{ ca  ser a 728  B24.39}16.177 34.016 60.256
{ ca  arg a 729  B28.34}13.400 31.988 58.733
{ ca  lys a 730  B27.55}11.058 32.798 61.601
{ ca  glu a 731  B24.61}11.708 36.527 61.163
{ ca  ala a 732  B21.42}11.081 36.282 57.415
{ ca  ala a 733  B19.78}7.885 34.317 58.074
{ ca  glu a 734  B21.25}6.796 37.146 60.380
{ ca  phe a 735  B18.72}7.376 39.750 57.640
{ ca  ile a 736  B17.47}5.280 37.613 55.283
{ ca  glu a 737  B23.07}2.430 37.149 57.749
{ ca  arg a 738  B21.06}2.289 40.899 58.351
{ ca  tyr a 739  B17.66}2.282 41.446 54.563
{ ca  phe a 740  B18.05}-0.702 39.158 54.086
{ ca  glu a 741  B19.77}-2.494 40.902 56.941
{ ca  ser a 742  B17.33}-2.187 44.235 55.082
{ ca  phe a 743  B15.15}-2.828 42.710 51.619
{ ca  pro a 744  B15.42}-5.514 40.015 52.227
{ ca  gly a 745  B15.35}-6.583 40.046 48.591
{ ca  val a 746  B14.99}-3.052 39.130 47.516
{ ca  lys a 747  B16.92}-3.065 36.391 50.152
{ ca  arg a 748  B18.64}-6.286 34.990 48.699
{ ca  tyr a 749  B16.42}-4.868 35.114 45.133
{ ca  met a 750  B15.01}-1.714 33.195 46.128
{ ca  glu a 751  B16.31}-3.797 30.514 47.836
{ ca  asn a 752  B15.64}-6.289 30.406 44.933
{ ca  ile a 753  B15.45}-3.794 30.369 42.085
{ ca  val a 754  B17.19}-2.001 27.382 43.667
{ ca  gln a 755  B20.43}-5.266 25.401 44.050
{ ca  glu a 756  B19.57}-6.230 26.356 40.484
{ ca  ala a 757  B16.12}-2.898 25.136 39.119
{ ca  lys a 758  B18.86}-3.611 21.898 41.004
{ ca  gln a 759  B16.88}-7.196 21.732 39.712
{ ca  lys a 760  B16.25}-6.560 22.597 36.045
{ ca  gly a 761  B13.22}-2.948 21.420 35.652
{ ca  tyr a 762  B13.67}-1.632 24.827 34.531
{ ca  val a 763  B13.83}-1.805 28.585 35.127
{ ca  thr a 764  B15.02}-2.493 31.335 32.584
{ ca  thr a 765  B13.12}-1.800 34.999 31.933
{ ca  leu a 766  B15.63}-4.029 37.960 30.953
{ ca  leu a 767  B13.89}-3.808 37.121 27.253
{ ca  his a 768  B14.56}-4.199 33.340 27.768
{ ca  arg a 769  B13.93}-0.587 32.233 27.636
{ ca  arg a 770  B13.47}-0.281 29.036 29.658
{ ca  arg a 771  B11.97}2.249 27.026 31.642
{ ca  tyr a 772  B12.86}1.597 23.485 32.847
{ ca  leu a 773  B12.98}2.860 22.735 36.323
{ ca  pro a 774  B16.16}2.877 18.937 36.813
{ ca  asp a 775  B16.10}5.154 19.182 39.881
{ ca  ile a 776  B16.78}2.488 21.004 41.848
{ ca  thr a 777  B18.44}1.079 17.580 42.842
{ ca  ser a 778  B20.05}4.503 16.160 43.777
{ ca  arg a 779  B22.27}4.875 14.561 47.188
{ ca  asn a 780  B22.89}8.396 15.976 47.472
{ ca  phe a 781  B21.59}8.121 19.267 49.386
{ ca  asn a 782  B21.92}10.928 21.045 47.525
{ ca  val a 783  B19.00}9.756 19.972 44.087
{ ca  arg a 784  B16.67}6.147 20.880 44.925
{ ca  ser a 785  B16.65}7.144 24.248 46.406
{ ca  phe a 786  B15.60}9.091 25.262 43.291
{ ca  ala a 787  B12.67}5.909 24.609 41.260
{ ca  glu a 788  B13.77}3.783 26.569 43.734
{ ca  arg a 789  B13.48}6.152 29.531 43.367
{ ca  met a 790  B12.27}5.843 29.238 39.568
{ ca  ala a 791  B10.68}2.068 29.181 39.924
{ ca  met a 792  B13.06}2.299 32.388 41.909
{ ca  asn a 793  B11.89}4.854 34.155 39.674
{ ca  thr a 794  B12.86}4.081 33.026 36.104
{ ca  pro a 795  B11.59}0.700 34.808 35.753
{ ca  ile a 796  B12.15}2.470 37.996 36.959
{ ca  gln a 797  B11.37}5.692 37.921 34.932
{ ca  gly a 798  B10.95}3.753 36.388 32.018
{ ca  ser a 799  B10.59}0.921 38.949 31.981
{ ca  ala a 800  B11.83}3.547 41.712 32.119
{ ca  ala a 801  B11.55}5.161 40.070 29.066
{ ca  asp a 802  B10.03}1.767 39.940 27.305
{ ca  ile a 803  B10.35}1.226 43.638 27.973
{ ca  ile a 804  B10.09}4.529 44.958 26.636
{ ca  lys a 805  B11.59}4.268 42.700 23.556
{ ca  lys a 806  B12.41}0.853 44.168 22.738
{ ca  ala a 807  B11.83}2.292 47.664 23.384
{ ca  met a 808  B11.48}4.994 46.994 20.788
{ ca  ile a 809  B11.75}2.347 46.046 18.185
{ ca  asp a 810  B11.67}0.203 49.084 19.049
{ ca  leu a 811  B12.40}3.275 51.340 18.947
{ ca  asn a 812  B13.28}4.408 50.245 15.515
{ ca  ala a 813  B14.51}0.917 50.791 14.133
{ ca  arg a 814  B15.57}0.953 54.341 15.566
{ ca  leu a 815  B15.50}4.474 54.938 14.295
{ ca  lys a 816  B19.00}3.327 53.939 10.807
{ ca  glu a 817  B18.67}0.162 56.081 10.888
{ ca  glu a 818  B18.11}2.261 59.097 11.838
{ ca  arg a 819  B18.01}4.955 58.177 9.278
{ ca  leu a 820  B16.33}7.503 58.842 12.023
{ ca  gln a 821  B15.03}11.039 57.687 11.259
{ ca  ala a 822  B13.05}11.411 56.485 14.856
{ ca  his a 823  B13.12}11.682 52.717 15.277
{ ca  leu a 824  B11.76}12.174 50.091 18.013
{ ca  leu a 825  B11.56}15.694 48.819 18.680
{ ca  leu a 826  B12.54}15.174 46.765 21.830
{ ca  gln a 827  B12.68}12.793 45.447 24.451
{ ca  val a 828  B12.68}14.061 44.497 27.887
{ ca  his a 829  B10.21}11.070 42.990 29.648
{ ca  asp a 830  B11.90}9.359 46.145 30.890
{ ca  glu a 831  B14.46}11.031 48.793 28.737
{ ca  leu a 832  B12.67}11.211 49.727 25.044
{ ca  ile a 833  B13.38}14.258 51.388 23.509
{ ca  leu a 834  B13.43}13.971 53.320 20.234
{ ca  glu a 835  B11.51}16.108 55.741 18.212
{ ca  ala a 836  B12.49}14.703 58.609 16.196
{ ca  pro a 837  B13.32}15.571 61.964 14.631
{ ca  lys a 838  B16.43}16.078 64.548 17.358
{ ca  glu a 839  B16.60}13.148 66.350 15.723
{ ca  glu a 840  B14.21}10.796 63.546 16.729
{ ca  met a 841  B14.41}11.584 63.503 20.442
{ ca  glu a 842  B15.36}8.737 65.767 21.516
{ ca  arg a 843  B15.95}6.219 63.636 19.631
{ ca  leu a 844  B15.99}7.685 60.429 21.073
{ ca  cys a 845  B15.50}7.513 61.815 24.602
{ ca  arg a 846  B16.06}3.743 61.924 24.252
{ ca  leu a 847  B15.48}3.179 58.961 21.939
{ ca  val a 848  B15.19}5.246 56.096 23.406
{ ca  pro a 849  B14.69}4.134 56.402 27.046
{ ca  glu a 850  B15.62}0.482 56.704 25.996
{ ca  val a 851  B14.14}0.569 53.617 23.770
{ ca  met a 852  B12.73}2.362 51.590 26.474
{ ca  glu a 853  B13.92}-0.004 52.802 29.195
{ ca  gln a 854  B15.31}-3.088 52.066 27.076
{ ca  ala a 855  B15.95}-2.043 48.641 25.670
{ ca  val a 856  B17.81}-4.403 46.946 28.138
{ ca  thr a 857  B18.96}-6.931 48.322 30.660
{ ca  leu a 858  B16.01}-6.400 47.130 34.248
{ ca  arg a 859  B15.67}-8.161 47.872 37.556
{ ca  val a 860  B14.93}-5.260 50.186 38.275
{ ca  pro a 861  B15.37}-3.509 52.642 35.948
{ ca  leu a 862  B15.95}-0.351 51.697 34.089
{ ca  lys a 863  B16.24}2.424 54.287 34.280
{ ca  val a 864  B13.89}5.399 54.761 31.969
{ ca  asp a 865  B16.18}8.523 56.857 32.534
{ ca  tyr a 866  B15.34}10.798 57.941 29.693
{ ca  his a 867  B15.60}14.131 59.566 28.894
{ ca  tyr a 868  B15.40}16.209 60.256 25.832
{ ca  gly a 869  B13.57}19.775 61.305 25.063
{ ca  ser a 870  B15.41}22.708 61.051 22.678
{ ca  thr a 871  B14.74}23.631 57.547 23.885
{ ca  trp a 872  B14.86}21.787 54.712 25.645
{ ca  tyr a 873  B18.48}23.631 55.817 28.807
{ ca  asp a 874  B22.32}22.119 59.295 28.504
{ ca  ala a 875  B25.49}18.624 57.935 27.993
{ ca  lys a 876  B27.91}18.162 58.334 31.763
@group {3bdpp mc} nobutton dominant
@subgroup {mainchain} dominant master= {subunit 2}
@vectorlist {mc} color= yellowtint master= {mainchain}
{ o5*   g p 7  B65.62}P 32.010 18.622 20.292
{"}32.010 18.622 20.292
{ c5*   g p 7  B63.83}32.712 18.797 21.539
{ c4*   g p 7  B62.78}31.989 18.227 22.738
{ o4*   g p 7  B62.02}32.887 18.237 23.871
{ c4*   g p 7  B62.78}P 31.989 18.227 22.738
{ c3*   g p 7  B62.24}30.734 18.983 23.180
{ o3*   g p 7  B63.10}29.787 18.016 23.655
{ c3*   g p 7  B62.24}P 30.734 18.983 23.180
{ c2*   g p 7  B61.37}31.235 19.858 24.319
{ o4*   g p 7  B62.02}P 32.887 18.237 23.871
{ c1*   g p 7  B60.73}32.350 19.016 24.933
{ c2*   g p 7  B61.37}P 31.235 19.858 24.319
{ c1*   g p 7  B60.73}32.350 19.016 24.933
{ c2*   g p 7  B61.37}31.235 19.858 24.319
{ o3*   g p 7  B63.10}P 29.787 18.016 23.655
{ p     c p 8  B64.13}28.283 18.462 24.026
{ o1p   c p 8  B64.15}28.107 19.876 23.576
{ p     c p 8  B64.13}P 28.283 18.462 24.026
{ o2p   c p 8  B64.35}27.327 17.414 23.565
{ p     c p 8  B64.13}P 28.283 18.462 24.026
{ o5*   c p 8  B63.61}28.259 18.412 25.620
{ c5*   c p 8  B61.44}29.420 18.796 26.378
{ c4*   c p 8  B59.74}29.204 18.546 27.853
{ o4*   c p 8  B58.56}30.381 19.027 28.539
{ c4*   c p 8  B59.74}P 29.204 18.546 27.853
{ c3*   c p 8  B59.17}28.026 19.306 28.461
{ o3*   c p 8  B59.71}27.438 18.533 29.530
{ c3*   c p 8  B59.17}P 28.026 19.306 28.461
{ c2*   c p 8  B58.10}28.658 20.607 28.935
{ o4*   c p 8  B58.56}P 30.381 19.027 28.539
{ c1*   c p 8  B56.98}30.117 20.248 29.216
{ c2*   c p 8  B58.10}P 28.658 20.607 28.935
{ c1*   c p 8  B56.98}30.117 20.248 29.216
{ c2*   c p 8  B58.10}28.658 20.607 28.935
{ o3*   c p 8  B59.71}P 27.438 18.533 29.530
{ p     a p 9  B60.77}26.375 19.219 30.537
{ o1p   a p 9  B60.80}25.973 20.493 29.876
{ p     a p 9  B60.77}P 26.375 19.219 30.537
{ o2p   a p 9  B60.69}25.318 18.253 30.982
{ p     a p 9  B60.77}P 26.375 19.219 30.537
{ o5*   a p 9  B59.47}27.256 19.605 31.814
{ c5*   a p 9  B55.82}27.409 18.720 32.955
{ c4*   a p 9  B53.57}27.804 19.540 34.163
{ o4*   a p 9  B52.09}29.018 20.264 33.827
{ c4*   a p 9  B53.57}P 27.804 19.540 34.163
{ c3*   a p 9  B52.82}26.746 20.604 34.489
{ o3*   a p 9  B53.34}26.666 20.949 35.886
{ c3*   a p 9  B52.82}P 26.746 20.604 34.489
{ c2*   a p 9  B51.07}27.282 21.839 33.791
{ o4*   a p 9  B52.09}P 29.018 20.264 33.827
{ c1*   a p 9  B49.26}28.787 21.660 33.914
{ c2*   a p 9  B51.07}P 27.282 21.839 33.791
{ c1*   a p 9  B49.26}28.787 21.660 33.914
{ c2*   a p 9  B51.07}27.282 21.839 33.791
{ o3*   a p 9  B53.34}P 26.666 20.949 35.886
{ p     t p 10  B53.22}26.986 19.869 37.042
{ o1p   t p 10  B53.14}25.706 19.612 37.768
{ p     t p 10  B53.22}P 26.986 19.869 37.042
{ o2p   t p 10  B53.20}27.774 18.719 36.496
{ p     t p 10  B53.22}P 26.986 19.869 37.042
{ o5*   t p 10  B51.32}27.955 20.683 38.020
{ c5*   t p 10  B48.23}29.363 20.836 37.695
{ c4*   t p 10  B44.93}29.934 22.115 38.275
{ o4*   t p 10  B43.61}30.472 23.000 37.255
{ c4*   t p 10  B44.93}P 29.934 22.115 38.275
{ c3*   t p 10  B42.95}29.037 22.970 39.169
{ o3*   t p 10  B40.96}29.775 23.283 40.354
{ c3*   t p 10  B42.95}P 29.037 22.970 39.169
{ c2*   t p 10  B42.01}28.771 24.210 38.323
{ o4*   t p 10  B43.61}P 30.472 23.000 37.255
{ c1*   t p 10  B41.37}30.024 24.333 37.461
{ c2*   t p 10  B42.01}P 28.771 24.210 38.323
{ c1*   t p 10  B41.37}30.024 24.333 37.461
{ c2*   t p 10  B42.01}28.771 24.210 38.323
{ o3*   t p 10  B40.96}P 29.775 23.283 40.354
{ p     g p 11  B39.49}29.083 24.102 41.548
{ o1p   g p 11  B38.73}27.605 24.056 41.484
{ p     g p 11  B39.49}P 29.083 24.102 41.548
{ o2p   g p 11  B40.26}29.770 23.656 42.772
{ p     g p 11  B39.49}P 29.083 24.102 41.548
{ o5*   g p 11  B38.22}29.581 25.577 41.252
{ c5*   g p 11  B35.16}30.981 25.831 41.091
{ c4*   g p 11  B34.30}31.200 27.290 40.788
{ o4*   g p 11  B33.06}30.889 27.587 39.403
{ c4*   g p 11  B34.30}P 31.200 27.290 40.788
{ c3*   g p 11  B33.49}30.333 28.224 41.638
{ o3*   g p 11  B33.66}31.124 29.378 41.969
{ c3*   g p 11  B33.49}P 30.333 28.224 41.638
{ c2*   g p 11  B32.02}29.215 28.619 40.687
{ o4*   g p 11  B33.06}P 30.889 27.587 39.403
{ c1*   g p 11  B31.72}29.975 28.668 39.374
{ c2*   g p 11  B32.02}P 29.215 28.619 40.687
{ c1*   g p 11  B31.72}29.975 28.668 39.374
{ c2*   g p 11  B32.02}29.215 28.619 40.687
{ o3*   g p 11  B33.66}P 31.124 29.378 41.969
{ p     a p 12  B32.22}30.736 30.299 43.236
{ o1p   a p 12  B29.86}29.364 30.016 43.732
{ p     a p 12  B32.22}P 30.736 30.299 43.236
{ o2p   a p 12  B31.35}31.911 30.168 44.150
{ p     a p 12  B32.22}P 30.736 30.299 43.236
{ o5*   a p 12  B32.98}30.681 31.765 42.601
{ c5*   a p 12  B31.27}31.832 32.334 41.943
{ c4*   a p 12  B30.00}31.421 33.149 40.734
{ o4*   a p 12  B28.85}30.896 32.297 39.689
{ c4*   a p 12  B30.00}P 31.421 33.149 40.734
{ c3*   a p 12  B29.43}30.348 34.223 40.900
{ o3*   a p 12  B29.03}30.899 35.464 41.355
{ c3*   a p 12  B29.43}P 30.348 34.223 40.900
{ c2*   a p 12  B29.86}29.910 34.444 39.468
{ o4*   a p 12  B28.85}P 30.896 32.297 39.689
{ c1*   a p 12  B27.90}30.262 33.150 38.751
{ c2*   a p 12  B29.86}P 29.910 34.444 39.468
{ c1*   a p 12  B27.90}30.262 33.150 38.751
{ c2*   a p 12  B29.86}29.910 34.444 39.468
{ o3*   a p 12  B29.03}P 30.899 35.464 41.355
{ p     t p 13  B27.55}29.916 36.698 41.705
{ o1p   t p 13  B29.29}28.657 36.181 42.262
{ p     t p 13  B27.55}P 29.916 36.698 41.705
{ o2p   t p 13  B29.11}30.741 37.642 42.493
{ p     t p 13  B27.55}P 29.916 36.698 41.705
{ o5*   t p 13  B29.44}29.559 37.398 40.318
{ c5*   t p 13  B29.63}30.599 37.948 39.488
{ c4*   t p 13  B31.19}30.002 38.725 38.340
{ o4*   t p 13  B31.30}29.418 37.814 37.370
{ c4*   t p 13  B31.19}P 30.002 38.725 38.340
{ c3*   t p 13  B31.44}28.900 39.709 38.742
{ o3*   t p 13  B31.43}29.045 40.972 38.083
{ c3*   t p 13  B31.44}P 28.900 39.709 38.742
{ c2*   t p 13  B31.12}27.626 39.028 38.289
{ o4*   t p 13  B31.30}P 29.418 37.814 37.370
{ c1*   t p 13  B31.40}28.082 38.192 37.097
{ c2*   t p 13  B31.12}P 27.626 39.028 38.289
{ c1*   t p 13  B31.40}28.082 38.192 37.097
{ c2*   t p 13  B31.12}27.626 39.028 38.289
{ o3*   t p 13  B31.43}P 29.045 40.972 38.083
{ p     g p 14  B31.16}28.057 42.188 38.470
{ o1p   g p 14  B30.99}27.232 41.802 39.652
{ p     g p 14  B31.16}P 28.057 42.188 38.470
{ o2p   g p 14  B31.98}28.838 43.449 38.491
{ p     g p 14  B31.16}P 28.057 42.188 38.470
{ o5*   g p 14  B30.08}27.052 42.253 37.243
{ c5*   g p 14  B26.70}27.492 42.692 35.965
{ c4*   g p 14  B25.38}26.390 42.478 34.963
{ o4*   g p 14  B24.42}26.273 41.071 34.628
{ c4*   g p 14  B25.38}P 26.390 42.478 34.963
{ c3*   g p 14  B24.19}25.005 42.867 35.460
{ o3*   g p 14  B24.30}24.773 44.277 35.341
{ c3*   g p 14  B24.19}P 25.005 42.867 35.460
{ c2*   g p 14  B24.56}24.116 42.071 34.528
{ o4*   g p 14  B24.42}P 26.273 41.071 34.628
{ c1*   g p 14  B24.25}24.927 40.808 34.244
{ c2*   g p 14  B24.56}P 24.116 42.071 34.528
{ c1*   g p 14  B24.25}24.927 40.808 34.244
{ c2*   g p 14  B24.56}24.116 42.071 34.528
{ o3*   g p 14  B24.30}P 24.773 44.277 35.341
{ p     c p 15  B24.90}23.568 44.961 36.164
{ o1p   c p 15  B26.55}23.446 44.273 37.477
{ p     c p 15  B24.90}P 23.568 44.961 36.164
{ o2p   c p 15  B25.57}23.763 46.428 36.120
{ p     c p 15  B24.90}P 23.568 44.961 36.164
{ o5*   c p 15  B23.24}22.229 44.595 35.377
{ c5*   c p 15  B22.01}22.012 45.067 34.040
{ c4*   c p 15  B20.16}20.778 44.428 33.447
{ o4*   c p 15  B19.03}20.907 42.991 33.395
{ c4*   c p 15  B20.16}P 20.778 44.428 33.447
{ c3*   c p 15  B19.78}19.478 44.690 34.184
{ o3*   c p 15  B21.32}18.962 45.940 33.719
{ c3*   c p 15  B19.78}P 19.478 44.690 34.184
{ c2*   c p 15  B18.77}18.616 43.519 33.750
{ o4*   c p 15  B19.03}P 20.907 42.991 33.395
{ c1*   c p 15  B19.85}19.632 42.384 33.567
{ c2*   c p 15  B18.77}P 18.616 43.519 33.750
{ c1*   c p 15  B19.85}19.632 42.384 33.567
{ c2*   c p 15  B18.77}18.616 43.519 33.750
@vectorlist {backbone} color= yellowtint master= {pseudo_mc} off
{ c4*   g p 7  B62.78}P 31.989 18.227 22.738
{ c1*   g p 7  B60.73}32.350 19.016 24.933
{ c4*   g p 7  B62.78}P 31.989 18.227 22.738
{ p     c p 8  B64.13}28.283 18.462 24.026
{ c4*   c p 8  B59.74}29.204 18.546 27.853
{ c1*   c p 8  B56.98}30.117 20.248 29.216
{ c4*   c p 8  B59.74}P 29.204 18.546 27.853
{ p     a p 9  B60.77}26.375 19.219 30.537
{ c4*   a p 9  B53.57}27.804 19.540 34.163
{ c1*   a p 9  B49.26}28.787 21.660 33.914
{ c4*   a p 9  B53.57}P 27.804 19.540 34.163
{ p     t p 10  B53.22}26.986 19.869 37.042
{ c4*   t p 10  B44.93}29.934 22.115 38.275
{ c1*   t p 10  B41.37}30.024 24.333 37.461
{ c4*   t p 10  B44.93}P 29.934 22.115 38.275
{ p     g p 11  B39.49}29.083 24.102 41.548
{ c4*   g p 11  B34.30}31.200 27.290 40.788
{ c1*   g p 11  B31.72}29.975 28.668 39.374
{ c4*   g p 11  B34.30}P 31.200 27.290 40.788
{ p     a p 12  B32.22}30.736 30.299 43.236
{ c4*   a p 12  B30.00}31.421 33.149 40.734
{ c1*   a p 12  B27.90}30.262 33.150 38.751
{ c4*   a p 12  B30.00}P 31.421 33.149 40.734
{ p     t p 13  B27.55}29.916 36.698 41.705
{ c4*   t p 13  B31.19}30.002 38.725 38.340
{ c1*   t p 13  B31.40}28.082 38.192 37.097
{ c4*   t p 13  B31.19}P 30.002 38.725 38.340
{ p     g p 14  B31.16}28.057 42.188 38.470
{ c4*   g p 14  B25.38}26.390 42.478 34.963
{ c1*   g p 14  B24.25}24.927 40.808 34.244
{ c4*   g p 14  B25.38}P 26.390 42.478 34.963
{ p     c p 15  B24.90}23.568 44.961 36.164
{ c4*   c p 15  B20.16}20.778 44.428 33.447
{ c1*   c p 15  B19.85}19.632 42.384 33.567
@subgroup {het groups} master= {hets}
@vectorlist {het} color= pink master= {hets}
{ p   2dt p 16  B19.79}P 17.858 46.724 34.563
{"}17.858 46.724 34.563
{ o1p 2dt p 16  B19.88}18.351 46.697 35.969
{ p   2dt p 16  B19.79}P 17.858 46.724 34.563
{ o2p 2dt p 16  B21.19}17.623 48.032 33.871
{ p   2dt p 16  B19.79}P 17.858 46.724 34.563
{ o5* 2dt p 16  B20.63}16.532 45.853 34.412
{ n1  2dt p 16  B19.79}P 15.120 42.269 35.391
{ c6  2dt p 16  B20.78}16.065 43.061 36.008
{ n1  2dt p 16  B19.79}P 15.120 42.269 35.391
{ c2  2dt p 16  B20.29}14.891 40.973 35.808
{ o2  2dt p 16  B20.68}14.031 40.268 35.320
{ c2  2dt p 16  B20.29}P 14.891 40.973 35.808
{ n3  2dt p 16  B20.03}15.694 40.545 36.847
{ c4  2dt p 16  B20.67}16.648 41.276 37.517
{ o4  2dt p 16  B20.75}17.267 40.769 38.444
{ c6  2dt p 16  B20.78}P 16.065 43.061 36.008
{ c5  2dt p 16  B21.88}16.826 42.644 37.039
{ c5m 2dt p 16  B21.61}17.838 43.518 37.714
{ o5* 2dt p 16  B20.63}P 16.532 45.853 34.412
{ c5* 2dt p 16  B19.96}15.781 45.861 33.177
{ c4* 2dt p 16  B19.70}14.637 44.873 33.227
{ o4* 2dt p 16  B20.07}15.184 43.555 33.429
{ n1  2dt p 16  B19.79}P 15.120 42.269 35.391
{ c1* 2dt p 16  B20.09}14.322 42.783 34.256
{ c2* 2dt p 16  B19.73}P 13.122 43.666 34.603
{ c3* 2dt p 16  B19.99}13.626 45.074 34.352
{ c4  2dt p 16  B20.67}P 16.648 41.276 37.517
{ c5  2dt p 16  B21.88}16.826 42.644 37.039
{ c2* 2dt p 16  B19.73}P 13.122 43.666 34.603
{ c1* 2dt p 16  B20.09}14.322 42.783 34.256
{ o4* 2dt p 16  B20.07}P 15.184 43.555 33.429
{ c1* 2dt p 16  B20.09}14.322 42.783 34.256
{ c4* 2dt p 16  B19.70}P 14.637 44.873 33.227
{ c3* 2dt p 16  B19.99}13.626 45.074 34.352
@group {3bdpt mc} nobutton dominant
@subgroup {mainchain} dominant master= {subunit 3}
@vectorlist {mc} color= greentint master= {mainchain}
{ o5*   a t 18  B38.79}P 13.237 30.864 42.585
{"}13.237 30.864 42.585
{ c5*   a t 18  B42.77}13.057 32.134 41.964
{ c4*   a t 18  B45.00}12.166 32.252 40.742
{ o4*   a t 18  B46.68}12.099 33.650 40.356
{ c4*   a t 18  B45.00}P 12.166 32.252 40.742
{ c3*   a t 18  B45.77}12.650 31.506 39.492
{ o3*   a t 18  B45.85}11.523 31.087 38.696
{ c3*   a t 18  B45.77}P 12.650 31.506 39.492
{ c2*   a t 18  B45.64}13.457 32.552 38.744
{ o4*   a t 18  B46.68}P 12.099 33.650 40.356
{ c1*   a t 18  B45.72}12.844 33.885 39.166
{ c2*   a t 18  B45.64}P 13.457 32.552 38.744
{ c1*   a t 18  B45.72}12.844 33.885 39.166
{ c2*   a t 18  B45.64}13.457 32.552 38.744
{ o3*   a t 18  B45.85}P 11.523 31.087 38.696
{ p     g t 19  B45.19}11.747 30.113 37.425
{ o1p   g t 19  B46.02}12.638 28.990 37.803
{ p     g t 19  B45.19}P 11.747 30.113 37.425
{ o2p   g t 19  B45.25}10.407 29.835 36.829
{ p     g t 19  B45.19}P 11.747 30.113 37.425
{ o5*   g t 19  B46.12}12.614 30.983 36.410
{ c5*   g t 19  B43.66}12.009 31.621 35.263
{ c4*   g t 19  B41.18}13.075 32.051 34.280
{ o4*   g t 19  B41.81}13.876 33.118 34.849
{ c4*   g t 19  B41.18}P 13.075 32.051 34.280
{ c3*   g t 19  B39.25}14.064 30.954 33.855
{ o3*   g t 19  B35.49}14.426 31.162 32.493
{ c3*   g t 19  B39.25}P 14.064 30.954 33.855
{ c2*   g t 19  B38.79}15.322 31.291 34.643
{ o4*   g t 19  B41.81}P 13.876 33.118 34.849
{ c1*   g t 19  B39.98}15.241 32.809 34.647
{ c2*   g t 19  B38.79}P 15.322 31.291 34.643
{ c1*   g t 19  B39.98}15.241 32.809 34.647
{ c2*   g t 19  B38.79}15.322 31.291 34.643
{ o3*   g t 19  B35.49}P 14.426 31.162 32.493
{ p     c t 20  B30.85}13.453 30.716 31.303
{ o1p   c t 20  B34.22}13.817 29.312 31.016
{ p     c t 20  B30.85}P 13.453 30.716 31.303
{ o2p   c t 20  B31.04}12.036 31.067 31.512
{ p     c t 20  B30.85}P 13.453 30.716 31.303
{ o5*   c t 20  B30.68}14.068 31.592 30.120
{ c5*   c t 20  B26.43}15.490 31.553 29.864
{ c4*   c t 20  B25.35}16.064 32.948 29.777
{ o4*   c t 20  B24.71}16.148 33.625 31.054
{ c4*   c t 20  B25.35}P 16.064 32.948 29.777
{ c3*   c t 20  B24.32}17.486 32.950 29.247
{ o3*   c t 20  B23.12}17.399 32.937 27.829
{ c3*   c t 20  B24.32}P 17.486 32.950 29.247
{ c2*   c t 20  B23.61}18.039 34.267 29.749
{ o4*   c t 20  B24.71}P 16.148 33.625 31.054
{ c1*   c t 20  B25.29}17.271 34.512 31.043
{ c2*   c t 20  B23.61}P 18.039 34.267 29.749
{ c1*   c t 20  B25.29}17.271 34.512 31.043
{ c2*   c t 20  B23.61}18.039 34.267 29.749
{ o3*   c t 20  B23.12}P 17.399 32.937 27.829
{ p     a t 21  B23.81}18.635 32.432 26.969
{ o1p   a t 21  B26.59}19.063 31.119 27.503
{ p     a t 21  B23.81}P 18.635 32.432 26.969
{ o2p   a t 21  B24.84}18.295 32.565 25.532
{ p     a t 21  B23.81}P 18.635 32.432 26.969
{ o5*   a t 21  B23.92}19.798 33.450 27.340
{ c5*   a t 21  B22.00}19.778 34.799 26.893
{ c4*   a t 21  B22.25}21.187 35.334 26.889
{ o4*   a t 21  B22.52}21.658 35.488 28.250
{ c4*   a t 21  B22.25}P 21.187 35.334 26.889
{ c3*   a t 21  B21.51}22.201 34.434 26.189
{ o3*   a t 21  B20.99}23.082 35.285 25.459
{ c3*   a t 21  B21.51}P 22.201 34.434 26.189
{ c2*   a t 21  B21.66}22.910 33.720 27.339
{ o4*   a t 21  B22.52}P 21.658 35.488 28.250
{ c1*   a t 21  B21.95}22.845 34.731 28.484
{ c2*   a t 21  B21.66}P 22.910 33.720 27.339
{ c1*   a t 21  B21.95}22.845 34.731 28.484
{ c2*   a t 21  B21.66}22.910 33.720 27.339
{ o3*   a t 21  B20.99}P 23.082 35.285 25.459
{ p     t t 22  B22.61}24.306 34.666 24.633
{ o1p   t t 22  B22.91}24.083 33.217 24.422
{ p     t t 22  B22.61}P 24.306 34.666 24.633
{ o2p   t t 22  B22.77}24.540 35.561 23.458
{ p     t t 22  B22.61}P 24.306 34.666 24.633
{ o5*   t t 22  B22.22}25.538 34.846 25.609
{ c5*   t t 22  B24.28}25.777 36.121 26.192
{ c4*   t t 22  B25.23}27.016 36.091 27.049
{ o4*   t t 22  B24.99}26.748 35.612 28.383
{ c4*   t t 22  B25.23}P 27.016 36.091 27.049
{ c3*   t t 22  B26.18}28.196 35.288 26.520
{ o3*   t t 22  B28.49}29.346 36.116 26.524
{ c3*   t t 22  B26.18}P 28.196 35.288 26.520
{ c2*   t t 22  B25.87}28.327 34.132 27.502
{ o4*   t t 22  B24.99}P 26.748 35.612 28.383
{ c1*   t t 22  B24.68}27.750 34.707 28.791
{ c2*   t t 22  B25.87}P 28.327 34.132 27.502
{ c1*   t t 22  B24.68}27.750 34.707 28.791
{ c2*   t t 22  B25.87}28.327 34.132 27.502
{ o3*   t t 22  B28.49}P 29.346 36.116 26.524
{ p     c t 23  B30.02}30.659 35.642 25.746
{ o1p   c t 23  B30.44}30.357 34.333 25.123
{ p     c t 23  B30.02}P 30.659 35.642 25.746
{ o2p   c t 23  B30.29}31.171 36.759 24.913
{ p     c t 23  B30.02}P 30.659 35.642 25.746
{ o5*   c t 23  B29.47}31.693 35.400 26.923
{ c5*   c t 23  B28.54}31.797 36.333 28.000
{ c4*   c t 23  B28.47}32.530 35.690 29.151
{ o4*   c t 23  B27.89}31.643 34.872 29.954
{ c4*   c t 23  B28.47}P 32.530 35.690 29.151
{ c3*   c t 23  B28.43}33.669 34.778 28.702
{ o3*   c t 23  B30.34}34.845 35.038 29.441
{ c3*   c t 23  B28.43}P 33.669 34.778 28.702
{ c2*   c t 23  B28.37}33.162 33.377 28.992
{ o4*   c t 23  B27.89}P 31.643 34.872 29.954
{ c1*   c t 23  B28.22}32.249 33.606 30.177
{ c2*   c t 23  B28.37}P 33.162 33.377 28.992
{ c1*   c t 23  B28.22}32.249 33.606 30.177
{ c2*   c t 23  B28.37}33.162 33.377 28.992
{ o3*   c t 23  B30.34}P 34.845 35.038 29.441
{ p     a t 24  B31.24}36.255 34.524 28.882
{ o1p   a t 24  B32.97}35.965 33.492 27.861
{ p     a t 24  B31.24}P 36.255 34.524 28.882
{ o2p   a t 24  B32.41}37.109 35.684 28.534
{ p     a t 24  B31.24}P 36.255 34.524 28.882
{ o5*   a t 24  B32.32}36.893 33.772 30.132
{ c5*   a t 24  B31.72}36.892 34.379 31.434
{ c4*   a t 24  B32.22}37.201 33.347 32.494
{ o4*   a t 24  B32.45}36.049 32.505 32.753
{ c4*   a t 24  B32.22}P 37.201 33.347 32.494
{ c3*   a t 24  B32.67}38.366 32.405 32.192
{ o3*   a t 24  B34.34}39.233 32.361 33.345
{ c3*   a t 24  B32.67}P 38.366 32.405 32.192
{ c2*   a t 24  B31.08}37.683 31.079 31.851
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{ c1*   a t 24  B30.28}36.370 31.126 32.632
{ c2*   a t 24  B31.08}P 37.683 31.079 31.851
{ c1*   a t 24  B30.28}36.370 31.126 32.632
{ c2*   a t 24  B31.08}37.683 31.079 31.851
{ o3*   a t 24  B34.34}P 39.233 32.361 33.345
{ p     t t 25  B34.77}40.605 31.512 33.305
{ o1p   t t 25  B35.29}40.730 30.969 31.915
{ p     t t 25  B34.77}P 40.605 31.512 33.305
{ o2p   t t 25  B34.24}41.716 32.324 33.896
{ p     t t 25  B34.77}P 40.605 31.512 33.305
{ o5*   t t 25  B33.06}40.280 30.303 34.273
{ c5*   t t 25  B33.31}38.972 29.785 34.277
{ c4*   t t 25  B33.26}38.800 28.788 35.386
{ o4*   t t 25  B33.98}37.538 28.151 35.128
{ c4*   t t 25  B33.26}P 38.800 28.788 35.386
{ c3*   t t 25  B33.97}39.833 27.674 35.366
{ o3*   t t 25  B35.90}39.974 27.201 36.706
{ c3*   t t 25  B33.97}P 39.833 27.674 35.366
{ c2*   t t 25  B32.67}39.214 26.632 34.449
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{ c1*   t t 25  B32.95}37.717 26.841 34.612
{ c2*   t t 25  B32.67}P 39.214 26.632 34.449
{ c1*   t t 25  B32.95}37.717 26.841 34.612
{ c2*   t t 25  B32.67}39.214 26.632 34.449
{ o3*   t t 25  B35.90}P 39.974 27.201 36.706
{ p     g t 26  B37.70}41.112 26.127 37.064
{ o1p   g t 26  B35.58}42.342 26.496 36.315
{ p     g t 26  B37.70}P 41.112 26.127 37.064
{ o2p   g t 26  B37.72}41.167 25.990 38.554
{ p     g t 26  B37.70}P 41.112 26.127 37.064
{ o5*   g t 26  B39.02}40.490 24.769 36.526
{ c5*   g t 26  B42.26}39.381 24.160 37.216
{ c4*   g t 26  B45.49}39.002 22.863 36.541
{ o4*   g t 26  B45.25}38.246 23.107 35.329
{ c4*   g t 26  B45.49}P 39.002 22.863 36.541
{ c3*   g t 26  B47.55}40.188 21.977 36.135
{ o3*   g t 26  B52.81}39.798 20.610 36.293
{ c3*   g t 26  B47.55}P 40.188 21.977 36.135
{ c2*   g t 26  B45.74}40.310 22.225 34.642
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{ c1*   g t 26  B44.23}38.845 22.368 34.278
{ c2*   g t 26  B45.74}P 40.310 22.225 34.642
{ c1*   g t 26  B44.23}38.845 22.368 34.278
{ c2*   g t 26  B45.74}40.310 22.225 34.642
{ o3*   g t 26  B52.81}P 39.798 20.610 36.293
{ p     c t 27  B56.77}40.562 19.652 37.342
{ o1p   c t 27  B56.10}41.980 19.537 36.885
{ p     c t 27  B56.77}P 40.562 19.652 37.342
{ o2p   c t 27  B55.25}40.263 20.119 38.734
{ p     c t 27  B56.77}P 40.562 19.652 37.342
{ o5*   c t 27  B57.77}39.817 18.258 37.116
{ c5*   c t 27  B60.15}38.392 18.128 37.392
{ c4*   c t 27  B61.08}37.683 17.360 36.292
{ o4*   c t 27  B61.12}37.503 18.171 35.103
{ c4*   c t 27  B61.08}P 37.683 17.360 36.292
{ c3*   c t 27  B61.68}38.339 16.054 35.829
{ o3*   c t 27  B62.93}37.320 15.050 35.612
{ c3*   c t 27  B61.68}P 38.339 16.054 35.829
{ c2*   c t 27  B61.04}38.958 16.422 34.488
{ o4*   c t 27  B61.12}P 37.503 18.171 35.103
{ c1*   c t 27  B60.46}37.992 17.477 33.958
{ c2*   c t 27  B61.04}P 38.958 16.422 34.488
{ c1*   c t 27  B60.46}37.992 17.477 33.958
{ c2*   c t 27  B61.04}38.958 16.422 34.488
@vectorlist {backbone} color= greentint master= {pseudo_mc} off
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{ c1*   a t 18  B45.72}12.844 33.885 39.166
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{ c4*   g t 19  B41.18}13.075 32.051 34.280
{ c1*   g t 19  B39.98}15.241 32.809 34.647
{ c4*   g t 19  B41.18}P 13.075 32.051 34.280
{ p     c t 20  B30.85}13.453 30.716 31.303
{ c4*   c t 20  B25.35}16.064 32.948 29.777
{ c1*   c t 20  B25.29}17.271 34.512 31.043
{ c4*   c t 20  B25.35}P 16.064 32.948 29.777
{ p     a t 21  B23.81}18.635 32.432 26.969
{ c4*   a t 21  B22.25}21.187 35.334 26.889
{ c1*   a t 21  B21.95}22.845 34.731 28.484
{ c4*   a t 21  B22.25}P 21.187 35.334 26.889
{ p     t t 22  B22.61}24.306 34.666 24.633
{ c4*   t t 22  B25.23}27.016 36.091 27.049
{ c1*   t t 22  B24.68}27.750 34.707 28.791
{ c4*   t t 22  B25.23}P 27.016 36.091 27.049
{ p     c t 23  B30.02}30.659 35.642 25.746
{ c4*   c t 23  B28.47}32.530 35.690 29.151
{ c1*   c t 23  B28.22}32.249 33.606 30.177
{ c4*   c t 23  B28.47}P 32.530 35.690 29.151
{ p     a t 24  B31.24}36.255 34.524 28.882
{ c4*   a t 24  B32.22}37.201 33.347 32.494
{ c1*   a t 24  B30.28}36.370 31.126 32.632
{ c4*   a t 24  B32.22}P 37.201 33.347 32.494
{ p     t t 25  B34.77}40.605 31.512 33.305
{ c4*   t t 25  B33.26}38.800 28.788 35.386
{ c1*   t t 25  B32.95}37.717 26.841 34.612
{ c4*   t t 25  B33.26}P 38.800 28.788 35.386
{ p     g t 26  B37.70}41.112 26.127 37.064
{ c4*   g t 26  B45.49}39.002 22.863 36.541
{ c1*   g t 26  B44.23}38.845 22.368 34.278
{ c4*   g t 26  B45.49}P 39.002 22.863 36.541
{ p     c t 27  B56.77}40.562 19.652 37.342
{ c4*   c t 27  B61.08}37.683 17.360 36.292
{ c1*   c t 27  B60.46}37.992 17.477 33.958
@group {3bdp hets} nobutton dominant
@subgroup {het groups} master= {hets}
@vectorlist {het} color= pink master= {hets}
{ s   so4   910  B46.09}P 14.036 52.785 43.813
{"}14.036 52.785 43.813
{ o1  so4   910  B45.82}15.147 52.997 42.705
{ s   so4   910  B46.09}P 14.036 52.785 43.813
{ o2  so4   910  B45.70}12.818 51.910 43.269
{ s   so4   910  B46.09}P 14.036 52.785 43.813
{ o3  so4   910  B45.82}14.728 51.991 45.129
{ s   so4   910  B46.09}P 14.036 52.785 43.813
{ o4  so4   910  B46.56}13.455 54.304 44.256
{ s   so4   912  B39.43}P 4.165 9.861 -1.404
{"}4.165 9.861 -1.404
{ o1  so4   912  B41.22}5.091 11.078 -1.014
{ s   so4   912  B39.43}P 4.165 9.861 -1.404
{ o2  so4   912  B41.37}4.680 9.198 -2.743
{ s   so4   912  B39.43}P 4.165 9.861 -1.404
{ o3  so4   912  B41.48}4.263 8.692 -0.207
{ s   so4   912  B39.43}P 4.165 9.861 -1.404
{ o4  so4   912  B39.38}2.589 10.410 -1.612
{ s   so4   915  B44.61}P 10.344 51.963 38.983
{"}10.344 51.963 38.983
{ o1  so4   915  B44.72}11.894 52.119 38.623
{ s   so4   915  B44.61}P 10.344 51.963 38.983
{ o2  so4   915  B44.38}9.762 50.601 38.343
{ s   so4   915  B44.61}P 10.344 51.963 38.983
{ o3  so4   915  B45.97}10.192 51.895 40.665
{ s   so4   915  B44.61}P 10.344 51.963 38.983
{ o4  so4   915  B44.04}9.465 53.275 38.392
{ s   so4   920  B52.43}P 45.946 38.316 59.340
{"}45.946 38.316 59.340
{ o1  so4   920  B52.98}46.362 36.917 58.693
{ s   so4   920  B52.43}P 45.946 38.316 59.340
{ o2  so4   920  B52.36}46.282 38.333 60.906
{ s   so4   920  B52.43}P 45.946 38.316 59.340
{ o3  so4   920  B52.44}46.794 39.549 58.563
{ s   so4   920  B52.43}P 45.946 38.316 59.340
{ o4  so4   920  B52.85}44.284 38.542 59.147
@balllist {water O} color= red master= {water} off radius= 0.150
{ o   hoh   1001  1.00B18.09}6.655 44.335 31.255
{ o   hoh   1002  1.00B26.09}8.442 39.067 37.158
{ o   hoh   1003  1.00B16.05}6.438 45.904 39.918
{ o   hoh   1004  1.00B14.89}8.390 35.329 23.847
{ o   hoh   1005  1.00B16.07}7.949 40.099 32.198
{ o   hoh   1006  1.00B16.83}17.729 40.535 31.051
{ o   hoh   1007  1.00B41.15}27.098 37.271 22.168
{ o   hoh   1008  1.00B15.68}9.384 27.211 7.536
{ o   hoh   1009  1.00B15.32}17.559 37.566 27.740
{ o   hoh   1010  1.00B13.21}19.014 38.049 29.919
{ o   hoh   1011  1.00B25.21}8.144 42.756 33.092
{ o   hoh   1012  1.00B17.80}8.238 47.704 36.066
{ o   hoh   1013  1.00B23.27}18.010 47.868 31.074
{ o   hoh   1016  1.00B16.96}3.442 50.851 34.907
{ o   hoh   1017  1.00B18.79}-5.103 50.560 33.272
{ o   hoh   1018  1.00B26.29}26.405 47.281 37.355
{ o   hoh   1021  1.00B21.00}13.248 48.735 33.496
{ o   hoh   1025  1.00B33.89}12.837 41.529 38.055
{ o   hoh   1028  1.00B18.43}15.134 36.617 28.827
{ o   hoh   1029  1.00B26.39}15.908 31.276 15.138
{ o   hoh   1030  1.00B17.36}18.233 45.950 17.524
{ o   hoh   1031  1.00B18.27}13.699 33.774 15.045
{ o   hoh   1032  1.00B18.31}9.944 34.192 16.393
{ o   hoh   1033  1.00B15.17}8.751 33.685 13.921
{ o   hoh   1034  1.00B22.96}12.307 30.321 8.631
{ o   hoh   1035  1.00B16.69}11.404 28.420 6.799
{ o   hoh   1037  1.00B19.64}11.204 40.179 27.357
{ o   hoh   1039  1.00B14.64}11.199 33.532 24.661
{ o   hoh   1040  1.00B17.36}3.955 31.305 25.779
{ o   hoh   1041  1.00B15.69}1.715 29.773 26.529
{ o   hoh   1042  1.00B18.83}3.939 24.910 30.247
{ o   hoh   1043  1.00B46.14}5.557 23.567 32.405
{ o   hoh   1045  1.00B19.36}12.141 33.470 17.785
{ o   hoh   1046  1.00B14.89}14.448 37.107 31.474
{ o   hoh   1049  1.00B31.75}31.121 40.503 42.191
{ o   hoh   1050  1.00B26.80}25.975 37.735 30.003
{ o   hoh   2001  1.00B25.97}15.706 25.103 -8.484
{ o   hoh   2002  1.00B19.00}2.317 28.053 -3.274
{ o   hoh   2003  1.00B18.24}9.295 40.083 -1.918
{ o   hoh   2004  1.00B31.92}5.275 43.395 -0.395
{ o   hoh   2005  1.00B33.05}26.027 34.537 3.888
{ o   hoh   2006  1.00B23.26}2.530 14.185 5.285
{ o   hoh   2007  1.00B14.10}20.931 36.629 4.466
{ o   hoh   2008  1.00B15.68}11.957 39.570 4.449
{ o   hoh   2009  1.00B29.42}-1.581 24.174 5.874
{ o   hoh   2010  1.00B26.36}24.744 28.166 5.532
{ o   hoh   2011  1.00B16.05}6.633 15.153 6.661
{ o   hoh   2013  1.00B17.89}26.740 41.518 7.673
{ o   hoh   2015  1.00B40.58}-3.461 30.050 8.313
{ o   hoh   2016  1.00B17.86}14.431 47.385 10.141
{ o   hoh   2017  1.00B35.71}2.954 41.325 10.175
{ o   hoh   2018  1.00B16.58}12.930 19.096 12.160
{ o   hoh   2019  1.00B20.31}13.035 22.814 12.242
{ o   hoh   2020  1.00B16.45}-0.981 37.021 12.168
{ o   hoh   2021  1.00B13.07}12.869 48.495 14.247
{ o   hoh   2022  1.00B13.00}1.764 47.377 14.440
{ o   hoh   2023  1.00B17.63}8.199 14.259 14.973
{ o   hoh   2024  1.00B19.29}9.504 50.365 15.219
{ o   hoh   2025  1.00B22.89}16.850 19.197 16.148
{ o   hoh   2026  1.00B32.27}25.723 41.491 14.596
{ o   hoh   2028  1.00B17.74}21.745 52.780 17.077
{ o   hoh   2029  1.00B43.81}-5.452 17.908 25.204
{ o   hoh   2031  1.00B13.74}20.628 44.541 17.766
{ o   hoh   2033  1.00B17.14}12.000 67.209 19.084
{ o   hoh   2034  1.00B18.45}3.238 62.906 19.829
{ o   hoh   2035  1.00B29.28}2.580 65.703 19.880
{ o   hoh   2036  1.00B32.86}12.347 27.291 20.969
{ o   hoh   2037  1.00B12.07}-6.390 34.438 22.317
{ o   hoh   2038  1.00B25.52}7.595 24.440 23.232
{ o   hoh   2040  1.00B12.47}-1.822 51.250 23.334
{ o   hoh   2041  1.00B19.00}5.778 67.294 23.517
{ o   hoh   2044  1.00B36.44}36.140 37.676 26.581
{ o   hoh   2045  1.00B19.44}-4.372 29.259 27.599
{ o   hoh   2046  1.00B17.17}-7.258 22.619 28.800
{ o   hoh   2047  1.00B29.90}12.899 27.912 28.912
{ o   hoh   2048  1.00B17.48}20.202 45.728 28.806
{ o   hoh   2049  1.00B16.80}8.377 40.990 29.385
{ o   hoh   2050  1.00B18.47}20.658 54.021 30.248
{ o   hoh   2051  1.00B17.81}-4.381 20.614 32.222
{ o   hoh   2053  1.00B19.78}9.874 60.217 33.039
{ o   hoh   2054  1.00B23.22}33.984 52.319 33.378
{ o   hoh   2055  1.00B15.44}-0.412 19.949 34.420
{ o   hoh   2056  1.00B11.92}-8.808 19.520 35.106
{ o   hoh   2057  1.00B29.66}-7.611 29.109 33.329
{ o   hoh   2058  1.00B27.57}-4.682 31.458 35.733
{ o   hoh   2059  1.00B19.84}5.517 21.849 37.361
{ o   hoh   2060  1.00B37.21}30.451 44.377 36.706
{ o   hoh   2061  1.00B38.75}7.729 30.482 39.309
{ o   hoh   2062  1.00B37.53}-2.769 19.750 38.499
{ o   hoh   2101  1.00B19.36}13.144 15.130 7.565
{ o   hoh   2102  1.00B31.47}-8.988 50.207 46.514
{ o   hoh   2103  1.00B16.96}0.374 8.669 13.872
{ o   hoh   2105  1.00B14.33}22.790 37.877 2.920
{ o   hoh   2109  1.00B22.22}4.635 52.845 39.921
{ o   hoh   2110  1.00B47.47}2.040 16.562 2.844
{ o   hoh   2111  1.00B30.29}37.472 43.411 52.239
{ o   hoh   2112  1.00B23.06}10.284 12.821 14.237
{ o   hoh   2113  1.00B31.72}25.643 39.346 28.047
{ o   hoh   2115  1.00B17.76}3.558 43.504 12.550
{ o   hoh   2116  1.00B22.11}22.845 63.928 25.984
{ o   hoh   2123  1.00B27.76}7.190 53.133 43.279
{ o   hoh   2126  1.00B21.04}22.041 55.168 32.012
{ o   hoh   2131  1.00B26.29}-2.639 54.257 50.434
{ o   hoh   2132  1.00B21.51}-3.504 21.718 8.160
{ o   hoh   2135  1.00B19.95}7.653 6.718 14.626
{ o   hoh   2137  1.00B28.81}-3.171 53.993 32.553
{ o   hoh   2138  1.00B32.95}-7.647 38.449 45.964
{ o   hoh   2139  1.00B27.96}-6.388 45.209 50.735
{ o   hoh   2140  1.00B31.75}8.758 22.446 40.997
{ o   hoh   2144  1.00B21.43}8.108 40.492 26.642
{ o   hoh   2145  1.00B18.23}15.207 28.845 8.202
{ o   hoh   2147  1.00B26.82}25.829 44.901 39.327
{ o   hoh   2148  1.00B32.83}12.905 30.051 -12.072
{ o   hoh   2149  1.00B21.94}4.476 35.876 -8.764
{ o   hoh   2151  1.00B44.19}20.803 53.645 52.650
{ o   hoh   2154  1.00B18.49}16.336 52.764 51.567
{ o   hoh   2156  1.00B32.84}16.455 13.903 4.372
{ o   hoh   2157  1.00B33.44}25.590 31.183 13.584
{ o   hoh   2158  1.00B28.14}7.865 17.064 21.110
{ o   hoh   2159  1.00B25.24}9.464 54.467 11.780
{ o   hoh   2160  1.00B23.18}-2.496 25.714 -2.110
{ o   hoh   2161  1.00B38.77}30.716 36.559 32.173
{ o   hoh   2163  1.00B25.17}-5.475 36.857 23.597
{ o   hoh   2167  1.00B27.38}13.914 27.633 14.401
{ o   hoh   2170  1.00B30.26}29.155 46.923 36.816
{ o   hoh   2171  1.00B28.25}4.336 66.946 26.045
{ o   hoh   2172  1.00B28.29}24.355 53.639 10.925
{ o   hoh   2174  1.00B27.96}14.046 45.651 5.372
{ o   hoh   2178  1.00B25.34}-3.455 30.936 11.135
{ o   hoh   2184  1.00B32.54}-4.513 38.676 55.503
{ o   hoh   2187  1.00B33.18}32.164 31.892 54.169
{ o   hoh   2188  1.00B24.73}3.150 54.262 42.411
{ o   hoh   2189  1.00B42.15}21.350 64.863 17.768
{ o   hoh   2194  1.00B28.47}15.474 63.100 29.005
{ o   hoh   2196  1.00B34.56}0.489 61.836 20.734
{ o   hoh   2201  1.00B33.56}-4.043 36.046 34.831
{ o   hoh   2202  1.00B40.44}-6.829 37.375 52.845
{ o   hoh   2203  1.00B31.31}-12.243 49.716 42.695
{ o   hoh   2204  1.00B21.49}10.397 47.993 14.114
{ o   hoh   2211  1.00B37.88}-7.643 52.221 35.896
{ o   hoh   2212  1.00B21.69}17.480 51.326 29.444
{ o   hoh   2214  1.00B16.15}-1.732 23.562 25.493
{ o   hoh   2216  1.00B24.21}9.342 40.469 8.641
{ o   hoh   2221  1.00B21.72}25.464 36.131 11.064
{ o   hoh   2227  1.00B42.10}21.175 46.072 3.802
{ o   hoh   2228  1.00B34.23}3.623 58.774 32.060
{ o   hoh   2229  1.00B27.68}-11.545 23.297 34.494
{ o   hoh   2234  1.00B17.57}13.566 49.850 11.535
{ o   hoh   2236  1.00B33.58}17.085 25.913 10.701
{ o   hoh   2237  1.00B30.10}10.815 41.771 -2.069
{ o   hoh   2242  1.00B22.09}16.329 48.675 8.883
{ o   hoh   2244  1.00B24.87}8.523 51.858 13.182
{ o   hoh   2246  1.00B48.10}-3.367 53.187 22.486
{ o   hoh   2248  1.00B29.37}5.463 22.693 -11.782
{ o   hoh   2249  1.00B33.03}0.929 31.025 -0.912
{ o   hoh   2250  1.00B25.90}13.370 26.552 7.819
{ o   hoh   2251  1.00B39.74}0.572 33.970 -8.067
{ o   hoh   2253  1.00B22.61}5.279 18.003 -6.933
{ o   hoh   2254  1.00B22.58}-0.853 29.805 5.371
{ o   hoh   2255  1.00B18.87}7.481 36.752 11.151
{ o   hoh   2256  1.00B21.52}7.661 38.620 9.430
{ o   hoh   2257  1.00B38.90}4.376 41.851 8.043
{ o   hoh   2258  1.00B37.94}3.243 37.315 9.771
{ o   hoh   2259  1.00B23.20}3.821 38.098 7.095
{ o   hoh   2261  1.00B41.80}-4.644 34.167 10.114
{ o   hoh   2264  1.00B29.90}11.354 11.434 8.142
{ o   hoh   2265  1.00B42.55}13.753 11.049 6.029
{ o   hoh   2266  1.00B16.93}14.276 13.560 5.723
{ o   hoh   2267  1.00B36.08}10.379 8.167 10.040
{ o   hoh   2270  1.00B43.32}18.687 26.474 12.284
{ o   hoh   2277  1.00B21.79}10.337 41.644 36.444
{ o   hoh   2279  1.00B23.88}10.729 54.262 36.278
{ o   hoh   2280  1.00B26.23}13.279 54.752 30.617
{ o   hoh   2284  1.00B47.80}21.041 35.665 39.346
{ o   hoh   2288  1.00B35.59}25.977 39.177 25.353
{ o   hoh   2289  1.00B48.50}28.898 39.289 24.424
{ o   hoh   2290  1.00B34.75}22.304 31.030 24.533
{ o   hoh   2291  1.00B29.88}21.615 30.649 28.006
{ o   hoh   2294  1.00B34.50}27.508 28.735 28.814
{ o   hoh   2295  1.00B34.29}25.856 31.749 26.113
{ o   hoh   2301  1.00B44.99}12.181 49.543 42.585
{ o   hoh   2302  1.00B23.30}3.416 45.333 47.824
{ o   hoh   2303  1.00B21.42}15.170 51.332 49.526
{ o   hoh   2304  1.00B27.04}15.953 46.036 48.887
{ o   hoh   2305  1.00B34.70}13.868 44.079 38.434
{ o   hoh   2306  1.00B34.54}8.195 41.802 5.780
{ o   hoh   2307  1.00B29.70}11.005 42.393 5.225
{ o   hoh   2308  1.00B25.69}1.007 38.790 11.663
{ o   hoh   2309  1.00B30.54}5.290 44.977 11.039
{ o   hoh   2310  1.00B29.83}6.207 47.415 12.399
{ o   hoh   2312  1.00B29.71}-0.850 44.102 13.962
{ o   hoh   2313  1.00B24.13}-2.564 42.812 16.160
{ o   hoh   2314  1.00B37.34}-0.692 46.962 14.122
{ o   hoh   2315  1.00B33.72}5.213 49.221 10.867
{ o   hoh   2317  1.00B26.72}2.677 48.585 12.386
{ o   hoh   2318  1.00B40.41}-2.659 49.271 17.209
{ o   hoh   2319  1.00B43.93}-3.735 38.552 21.785
{ o   hoh   2321  1.00B28.78}-2.085 42.620 19.892
{ o   hoh   2322  1.00B28.35}-2.687 45.285 19.117
{ o   hoh   2323  1.00B28.42}-2.041 52.015 17.523
{ o   hoh   2324  1.00B15.69}19.791 51.059 13.714
{ o   hoh   2325  1.00B19.78}18.398 51.333 11.366
{ o   hoh   2326  1.00B25.94}13.065 45.718 8.022
{ o   hoh   2327  1.00B17.32}26.833 44.531 8.094
{ o   hoh   2328  1.00B20.34}25.124 45.941 9.698
{ o   hoh   2329  1.00B31.05}23.069 47.059 8.434
{ o   hoh   2330  1.00B31.01}15.258 55.335 51.471
{ o   hoh   2331  1.00B32.84}13.641 56.065 52.874
{ o   hoh   2332  1.00B38.35}17.967 42.789 56.246
{ o   hoh   2333  1.00B24.10}15.279 44.455 46.591
{ o   hoh   2338  1.00B36.79}0.804 16.429 37.971
{ o   hoh   2339  1.00B30.94}0.947 18.133 32.541
{ o   hoh   2340  1.00B38.10}7.249 23.511 38.335
{ o   hoh   2341  1.00B36.84}7.459 25.976 32.702
{ o   hoh   2355  1.00B38.65}24.729 31.955 21.930
{ o   hoh   2356  1.00B49.16}28.921 36.646 14.775
{ o   hoh   2358  1.00B20.84}0.081 13.512 6.700
{ o   hoh   2360  1.00B27.56}-11.121 24.066 18.510
{ o   hoh   2363  1.00B44.03}21.595 53.390 10.113
{ o   hoh   2364  1.00B34.96}23.447 47.808 5.369
{ o   hoh   2365  1.00B49.92}13.412 42.651 -4.786
{ o   hoh   2366  1.00B26.66}15.758 44.718 3.424
{ o   hoh   2368  1.00B37.35}26.138 58.123 16.512
{ o   hoh   2369  1.00B41.37}25.869 60.592 20.102
{ o   hoh   2370  1.00B39.00}23.555 60.885 16.699
{ o   hoh   2371  1.00B47.14}26.678 53.757 12.420
{ o   hoh   2373  1.00B23.53}-9.530 55.994 45.342
{ o   hoh   2374  1.00B42.31}-4.964 58.830 27.534
{ o   hoh   2375  1.00B31.00}-2.523 36.409 9.991
{ o   hoh   2376  1.00B33.07}-1.036 37.107 7.339
{ o   hoh   2377  1.00B22.96}-8.350 23.576 26.202
{ o   hoh   2378  1.00B37.82}-7.491 20.927 23.902
{ o   hoh   2379  1.00B35.38}-0.558 19.843 21.572
{ o   hoh   2380  1.00B22.97}-1.000 21.259 24.389
{ o   hoh   2381  1.00B37.75}-5.398 16.388 21.361
{ o   hoh   2382  1.00B30.09}-5.630 18.836 21.589
{ o   hoh   2383  1.00B31.23}-4.175 15.230 24.976
{ o   hoh   2385  1.00B29.99}-2.259 19.740 26.765
{ o   hoh   2386  1.00B30.16}-4.087 15.446 15.060
{ o   hoh   2390  1.00B40.45}6.440 9.399 21.920
{ o   hoh   2391  1.00B40.22}2.739 19.423 25.309
{ o   hoh   2392  1.00B25.32}2.410 25.836 -13.504
{ o   hoh   2394  1.00B29.62}2.508 35.734 -7.106
{ o   hoh   2395  1.00B32.62}2.059 37.946 -6.806
{ o   hoh   2398  1.00B37.93}-1.809 32.507 -6.435
{ o   hoh   2399  1.00B32.95}-4.922 31.657 1.009
{ o   hoh   2401  1.00B35.28}-5.272 30.342 4.363
{ o   hoh   2402  1.00B40.73}-3.755 29.470 -5.778
{ o   hoh   2403  1.00B27.40}26.456 33.325 8.177
{ o   hoh   2405  1.00B32.18}24.624 39.279 15.293
{ o   hoh   2406  1.00B34.14}30.002 40.167 13.442
{ o   hoh   2407  1.00B19.47}23.392 41.666 2.947
{ o   hoh   2408  1.00B23.11}24.143 43.205 0.814
{ o   hoh   2410  1.00B33.99}22.813 24.306 -0.219
{ o   hoh   2414  1.00B24.60}9.723 40.718 -8.467
{ o   hoh   2415  1.00B31.70}1.183 42.863 -0.584
{ o   hoh   2416  1.00B31.66}8.551 41.864 -6.144
{ o   hoh   2417  1.00B34.70}4.666 41.411 -4.559
{ o   hoh   2419  1.00B24.06}13.613 17.413 17.597
{ o   hoh   2420  1.00B31.39}15.436 10.578 12.690
{ o   hoh   2422  1.00B36.68}11.973 10.677 11.002
{ o   hoh   2424  1.00B23.63}4.280 11.030 18.482
{ o   hoh   2425  1.00B32.47}-1.469 14.281 13.493
{ o   hoh   2426  1.00B46.09}22.698 13.955 6.671
{ o   hoh   2427  1.00B25.56}24.960 17.181 7.764
{ o   hoh   2428  1.00B43.19}16.684 12.322 1.745
{ o   hoh   2429  1.00B29.88}-5.399 19.511 17.826
{ o   hoh   2430  1.00B18.92}-5.172 22.014 24.971
{ o   hoh   2431  1.00B22.97}29.865 57.331 22.602
{ o   hoh   2435  1.00B41.00}32.749 27.644 44.032
{ o   hoh   2436  1.00B50.31}35.806 28.002 46.180
{ o   hoh   2437  1.00B27.29}38.750 28.487 57.006
{ o   hoh   2441  1.00B43.69}46.928 39.733 54.201
{ o   hoh   2442  1.00B49.48}43.405 47.002 49.092
{ o   hoh   2446  1.00B41.07}28.605 51.083 6.559
{ o   hoh   2457  1.00B41.43}20.929 61.984 9.918
{ o   hoh   2459  1.00B27.69}18.057 64.877 13.022
{ o   hoh   2460  1.00B20.21}12.633 55.917 34.234
{ o   hoh   2461  1.00B30.78}16.525 57.950 34.687
{ o   hoh   2462  1.00B20.11}-9.199 43.277 49.599
{ o   hoh   2463  1.00B22.49}-9.138 52.507 45.543
{ o   hoh   2465  1.00B35.43}4.889 56.431 49.541
{ o   hoh   2466  1.00B33.82}10.945 56.402 52.724
{ o   hoh   2467  1.00B40.23}1.971 58.314 57.091
{ o   hoh   2471  1.00B47.79}16.303 42.137 46.738
{ o   hoh   2472  1.00B48.17}17.928 41.816 49.428
{ o   hoh   2476  1.00B38.01}3.480 28.050 48.347
{ o   hoh   2484  1.00B48.45}9.854 41.141 62.076
{ o   hoh   2486  1.00B34.52}-1.246 36.679 57.208
{ o   hoh   2487  1.00B37.59}-6.678 34.497 52.798
{ o   hoh   2490  1.00B44.79}-8.250 31.881 41.155
{ o   hoh   2491  1.00B39.64}-1.129 18.745 37.125
{ o   hoh   2496  1.00B44.90}2.075 13.443 41.011
{ o   hoh   2498  1.00B34.62}3.537 15.687 40.692
{ o   hoh   2501  1.00B36.32}5.767 12.943 44.885
{ o   hoh   2504  1.00B32.14}4.929 17.075 50.979
{ o   hoh   2506  1.00B33.51}2.754 22.467 51.529
{ o   hoh   2510  1.00B40.74}23.894 41.832 38.882
{ o   hoh   2511  1.00B31.83}23.493 37.756 39.409
{ o   hoh   2515  1.00B41.39}9.329 45.615 43.283
{ o   hoh   2516  1.00B37.21}12.397 57.724 36.305
{ o   hoh   2517  1.00B30.64}27.085 34.395 43.221
{ o   hoh   2521  1.00B32.75}28.483 59.607 21.398
{ o   hoh   2522  1.00B32.72}27.791 61.749 23.394
{ o   hoh   2526  1.00B40.53}27.243 40.498 42.387
{ o   hoh   2528  1.00B38.03}11.386 48.471 7.110
{ o   hoh   2529  1.00B32.89}16.151 51.074 10.386
{ o   hoh   2533  1.00B33.61}12.330 53.700 10.689
{ o   hoh   2534  1.00B36.93}15.454 49.012 6.181
{ o   hoh   2538  1.00B42.49}25.137 63.290 15.098
{ o   hoh   2539  1.00B39.82}14.982 56.960 8.429
{ o   hoh   2545  1.00B26.28}8.927 26.416 22.213
{ o   hoh   2547  1.00B39.33}-2.480 16.245 20.818
{ o   hoh   2552  1.00B32.10}-7.705 20.124 42.964
{ o   hoh   2553  1.00B29.09}6.118 51.634 12.596
{ o   hoh   2554  1.00B29.60}-6.726 52.585 29.911
{ o   hoh   2555  1.00B33.81}-9.886 46.582 33.905
{ o   hoh   2556  1.00B25.93}-1.983 57.161 29.433
{ o   hoh   2560  1.00B43.11}6.346 60.776 39.025
{ o   hoh   2561  1.00B37.85}6.077 59.350 34.251
{ o   hoh   2562  1.00B28.22}7.728 56.379 38.587
{ o   hoh   2572  1.00B25.64}-0.453 52.154 11.094
{ o   hoh   2574  1.00B26.23}0.883 61.153 8.890
{ o   hoh   2576  1.00B31.51}2.741 62.903 9.271
{ o   hoh   2577  1.00B48.92}5.584 62.863 7.344
{ o   hoh   2578  1.00B24.47}8.290 65.037 14.124
{ o   hoh   2579  1.00B31.45}10.668 63.222 10.945

{ o   hoh   2585  1.00B49.84}-9.181 19.641 16.203
{ o   hoh   2589  1.00B34.43}-3.324 18.171 23.820
{ o   hoh   2597  1.00B39.73}17.707 54.818 31.381
{ o   hoh   2598  1.00B31.59}18.564 14.297 16.646
{ o   hoh   2611  1.00B41.90}1.125 7.927 0.651
{ o   hoh   2615  1.00B38.61}18.917 51.822 51.884
{ o   hoh   2616  1.00B37.72}3.816 61.265 57.855
{ o   hoh   2617  1.00B42.02}6.240 50.231 64.626
{ o   hoh   2620  1.00B31.11}-4.197 27.130 48.217
{ o   hoh   2663  1.00B21.63}10.959 50.266 35.366
{ o   hoh   2664  1.00B33.44}-0.518 53.817 8.861
{ o   hoh   2666  1.00B33.56}27.500 31.338 42.258
{ o   hoh   2667  1.00B42.11}26.165 37.691 41.339
{ o   hoh   2669  1.00B28.53}0.867 53.102 58.905
{ o   hoh   2670  1.00B43.62}11.376 11.685 -3.764
{ o   hoh   2674  1.00B33.78}12.449 26.059 23.533
{ o   hoh   2675  1.00B31.93}13.469 30.909 18.709
{ o   hoh   2678  1.00B39.45}15.594 30.015 37.651
{ o   hoh   2679  1.00B25.46}13.131 27.576 10.545
{ o   hoh   2680  1.00B28.62}13.024 52.440 63.257
{ o   hoh   2682  1.00B27.42}19.927 31.999 17.385
{ o   hoh   2683  1.00B37.72}19.212 48.326 8.448
{ o   hoh   2684  1.00B26.21}14.118 51.319 61.280
{ o   hoh   2685  1.00B41.59}39.558 44.573 26.338
{ o   hoh   2686  1.00B36.86}43.959 24.158 56.399
{ o   hoh   2687  1.00B44.20}18.403 56.572 51.933
{ o   hoh   2688  1.00B30.52}4.665 27.943 -15.907
{ o   hoh   2689  1.00B39.46}13.772 34.270 31.834
{ o   hoh   2691  1.00B33.73}16.244 56.590 62.375
{ o   hoh   2693  1.00B27.19}9.586 42.802 9.537
{ o   hoh   2694  1.00B34.52}15.683 46.420 37.665
{ o   hoh   2700  1.00B38.68}10.920 24.779 8.399
{ o   hoh   2701  1.00B45.77}37.715 27.061 39.870
{ o   hoh   2703  1.00B40.25}11.487 12.753 16.474
{ o   hoh   2707  1.00B41.08}3.245 18.469 -8.577
{ o   hoh   2708  1.00B42.60}0.808 63.706 57.122
{ o   hoh   2711  1.00B36.29}35.213 29.967 36.368
{ o   hoh   2712  1.00B47.35}49.694 45.354 37.302
{ o   hoh   2719  1.00B42.44}17.775 28.908 28.157
{ o   hoh   2722  1.00B44.77}-3.948 39.885 13.114
{ o   hoh   2723  1.00B32.31}-9.256 28.844 42.761
{ o   hoh   2726  1.00B39.18}41.980 24.864 57.788
{ o   hoh   2732  1.00B33.93}-11.000 48.767 34.543
{ o   hoh   2735  1.00B38.15}24.422 45.309 41.517
{ o   hoh   2742  1.00B48.49}35.075 31.294 63.710
{ o   hoh   2747  1.00B38.89}32.751 29.055 28.019
{ o   hoh   2748  1.00B38.69}39.238 25.308 46.926
{ o   hoh   2750  1.00B44.95}8.756 58.004 49.262
{ o   hoh   2752  1.00B39.72}-0.326 58.485 54.041
{ o   hoh   2754  1.00B37.29}7.422 42.002 -3.602
{ o   hoh   2757  1.00B36.21}32.986 29.296 38.012
{ o   hoh   2758  1.00B38.64}24.113 21.090 -0.176
{ o   hoh   2762  1.00B48.42}39.603 54.275 21.327
{ o   hoh   2765  1.00B45.13}10.741 62.748 31.478
{ o   hoh   2767  1.00B45.67}17.126 17.191 18.369
{ o   hoh   2769  1.00B49.48}31.745 58.655 25.726
{ o   hoh   2771  1.00B34.25}4.410 60.089 42.934
{ o   hoh   2773  1.00B41.59}-10.117 19.140 39.828
{ o   hoh   2775  1.00B46.36}-0.874 19.557 -10.210
{ o   hoh   2779  1.00B40.86}-5.344 49.498 23.229
{ o   hoh   2785  1.00B43.09}14.709 65.763 11.232
{ o   hoh   2793  1.00B28.09}-6.147 28.463 34.678
{ o   hoh   2794  1.00B27.13}10.467 66.104 24.909
{ o   hoh   2796  1.00B35.10}9.279 54.038 41.841
{ o   hoh   2797  1.00B36.68}8.373 41.632 39.127
{ o   hoh   2800  1.00B27.68}20.752 45.656 8.416
{ o   hoh   2801  1.00B28.36}22.187 32.387 0.295
{ o   hoh   2802  1.00B30.84}19.453 64.957 24.186
{ o   hoh   2804  1.00B35.28}18.729 44.707 49.726
{ o   hoh   2805  1.00B38.37}19.969 33.966 62.730
{ o   hoh   2807  1.00B30.42}12.953 55.867 39.814
{ o   hoh   2808  1.00B35.17}33.996 36.770 24.801
{ o   hoh   2809  1.00B44.07}25.582 28.066 33.574
{ o   hoh   2810  1.00B36.05}36.652 33.683 41.559
{ o   hoh   2814  1.00B46.49}12.707 35.315 34.900
{ o   hoh   2816  1.00B44.87}24.709 34.462 0.991
{ o   hoh   2818  1.00B31.99}-9.731 27.470 27.177
{ o   hoh   2821  1.00B40.45}33.673 54.480 17.045
{ o   hoh   2822  1.00B44.18}39.471 27.258 60.338
{ o   hoh   2823  1.00B34.53}16.472 57.290 59.924
{ o   hoh   2824  1.00B39.78}28.136 52.772 41.493
{ o   hoh   2825  1.00B33.80}-1.710 47.814 11.586
{ o   hoh   2827  1.00B37.54}24.657 51.666 42.756
{ o   hoh   2829  1.00B44.11}26.414 33.428 58.102
{ o   hoh   2832  1.00B35.17}17.617 48.524 47.768
{ o   hoh   2833  1.00B38.68}-6.095 61.817 30.552
{ o   hoh   2834  1.00B36.76}-3.906 51.837 31.005
{ o   hoh   2835  1.00B49.57}11.072 13.381 21.858
{ o   hoh   2837  1.00B32.60}-6.364 54.071 34.426
{ o   hoh   2840  1.00B45.68}24.908 14.320 2.804
{ o   hoh   2847  1.00B40.01}1.005 11.417 37.494
{ o   hoh   2848  1.00B48.46}25.980 27.799 3.031
{ o   hoh   2853  1.00B45.07}20.495 66.821 20.436
{ o   hoh   2855  1.00B44.01}2.968 19.458 31.355
{ o   hoh   2861  1.00B44.42}49.295 46.707 53.058
{ o   hoh   2878  1.00B45.15}33.299 32.079 37.714
{ o   hoh   2884  1.00B40.63}-13.075 25.600 20.192
{ o   hoh   2885  1.00B47.90}-7.544 34.534 15.793
{ o   hoh   2886  1.00B38.39}3.551 34.726 -10.942
{ o   hoh   2888  1.00B42.32}15.478 60.088 57.136
{ o   hoh   2889  1.00B48.56}17.601 35.907 64.081
{ o   hoh   2892  1.00B44.19}-10.379 39.110 42.458
{ o   hoh   2899  1.00B38.74}22.871 36.964 52.964
{ o   hoh   2903  1.00B36.39}-5.554 31.600 11.948
{ o   hoh   2911  1.00B41.91}27.761 61.505 29.486
{ o   hoh   2914  1.00B38.08}12.007 15.793 -9.858
{ o   hoh   2918  1.00B33.75}12.478 24.186 10.273
@subgroup {A  } dominant master= {subunit 2}
@vectorlist {A  } color= pink master= {sidechain}
{ c1*   a p 9  B49.26}P 28.787 21.660 33.914
{ n9    a p 9  B46.66}29.543 22.331 32.856
{ c8    a p 9  B45.43}29.152 22.510 31.558
{ n7    a p 9  B45.23}29.982 23.237 30.852
{ c5    a p 9  B44.30}31.004 23.540 31.740
{ c6    a p 9  B43.92}32.180 24.305 31.605
{ n6    a p 9  B43.15}32.533 24.937 30.480
{ c6    a p 9  B43.92}P 32.180 24.305 31.605
{ n1    a p 9  B42.96}32.989 24.410 32.683
{ c2    a p 9  B43.04}32.628 23.797 33.811
{ n3    a p 9  B44.10}31.544 23.059 34.063
{ c4    a p 9  B44.83}30.761 22.968 32.972
{ c5    a p 9  B44.30}31.004 23.540 31.740
{ n9    a p 9  B46.66}P 29.543 22.331 32.856
{ c4    a p 9  B44.83}30.761 22.968 32.972
{ c5    a p 9  B44.30}31.004 23.540 31.740
{ c4    a p 9  B44.83}30.761 22.968 32.972
{ c5    a p 9  B44.30}31.004 23.540 31.740
{ c4    a p 9  B44.83}P 30.761 22.968 32.972
{ n3    a p 9  B44.10}31.544 23.059 34.063
{ c1*   a p 12  B27.90}P 30.262 33.150 38.751
{ n9    a p 12  B26.04}29.072 32.500 38.232
{ c8    a p 12  B25.20}28.164 31.664 38.814
{ n7    a p 12  B25.80}27.178 31.322 38.015
{ c5    a p 12  B25.21}27.473 31.975 36.820
{ c6    a p 12  B23.91}26.821 32.031 35.560
{ n6    a p 12  B22.28}25.689 31.392 35.275
{ c6    a p 12  B23.91}P 26.821 32.031 35.560
{ n1    a p 12  B24.37}27.390 32.788 34.593
{ c2    a p 12  B24.67}28.524 33.444 34.875
{ n3    a p 12  B24.61}29.225 33.469 36.006
{ c4    a p 12  B25.37}28.639 32.701 36.946
{ c5    a p 12  B25.21}27.473 31.975 36.820
{ n9    a p 12  B26.04}P 29.072 32.500 38.232
{ c4    a p 12  B25.37}28.639 32.701 36.946
{ c5    a p 12  B25.21}27.473 31.975 36.820
{ c4    a p 12  B25.37}28.639 32.701 36.946
{ c5    a p 12  B25.21}27.473 31.975 36.820
{ c4    a p 12  B25.37}P 28.639 32.701 36.946
{ n3    a p 12  B24.61}29.225 33.469 36.006
@subgroup {A  } dominant master= {subunit 3}
@vectorlist {A  } color= pink master= {sidechain}
{ c1*   a t 18  B45.72}P 12.844 33.885 39.166
{ n9    a t 18  B45.21}13.888 34.850 39.497
{ c8    a t 18  B44.46}14.779 34.788 40.538
{ n7    a t 18  B44.42}15.615 35.794 40.581
{ c5    a t 18  B43.95}15.247 36.575 39.494
{ c6    a t 18  B42.63}15.741 37.781 38.992
{ n6    a t 18  B41.75}16.757 38.447 39.538
{ c6    a t 18  B42.63}P 15.741 37.781 38.992
{ n1    a t 18  B42.87}15.148 38.290 37.893
{ c2    a t 18  B43.33}14.124 37.619 37.344
{ n3    a t 18  B43.99}13.570 36.479 37.723
{ c4    a t 18  B44.59}14.184 36.002 38.817
{ c5    a t 18  B43.95}15.247 36.575 39.494
{ n9    a t 18  B45.21}P 13.888 34.850 39.497
{ c4    a t 18  B44.59}14.184 36.002 38.817
{ c5    a t 18  B43.95}15.247 36.575 39.494
{ c4    a t 18  B44.59}14.184 36.002 38.817
{ c5    a t 18  B43.95}15.247 36.575 39.494
{ c4    a t 18  B44.59}P 14.184 36.002 38.817
{ n3    a t 18  B43.99}13.570 36.479 37.723
{ c1*   a t 21  B21.95}P 22.845 34.731 28.484
{ n9    a t 21  B22.92}22.743 34.169 29.844
{ c8    a t 21  B22.26}21.920 33.149 30.281
{ n7    a t 21  B21.72}22.009 32.915 31.572
{ c5    a t 21  B21.75}22.963 33.822 32.014
{ c6    a t 21  B22.74}23.506 34.081 33.293
{ n6    a t 21  B22.77}23.130 33.431 34.399
{ c6    a t 21  B22.74}P 23.506 34.081 33.293
{ n1    a t 21  B22.62}24.452 35.049 33.398
{ c2    a t 21  B23.20}24.805 35.715 32.293
{ n3    a t 21  B22.32}24.356 35.570 31.034
{ c4    a t 21  B22.21}23.432 34.595 30.964
{ c5    a t 21  B21.75}22.963 33.822 32.014
{ n9    a t 21  B22.92}P 22.743 34.169 29.844
{ c4    a t 21  B22.21}23.432 34.595 30.964
{ c5    a t 21  B21.75}22.963 33.822 32.014
{ c4    a t 21  B22.21}23.432 34.595 30.964
{ c5    a t 21  B21.75}22.963 33.822 32.014
{ c4    a t 21  B22.21}P 23.432 34.595 30.964
{ n3    a t 21  B22.32}24.356 35.570 31.034
{ c1*   a t 24  B30.28}P 36.370 31.126 32.632
{ n9    a t 24  B28.95}35.215 30.470 32.007
{ c8    a t 24  B28.16}34.790 30.606 30.706
{ n7    a t 24  B27.25}33.698 29.926 30.427
{ c5    a t 24  B27.31}33.378 29.296 31.621
{ c6    a t 24  B27.09}32.328 28.442 31.981
{ n6    a t 24  B26.94}31.366 28.074 31.143
{ c6    a t 24  B27.09}P 32.328 28.442 31.981
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@subgroup {G  } dominant master= {subunit 3}
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@subgroup {C  } dominant master= {sub