@text Hydrogen Bond Practice KINEMAGE 1 - A beta hairpin, with polar H's, pointID's, and balls: This kinemage shows the backbone (in white), sidechains (cyan), and polar hydrogens (gray) for a small piece out of a protein structure, with red balls on the O atoms and skyblue balls on the N atoms. The ends are truncated at Calphas for clarity. Move the image around to see the arrangement in 3D. Occasionally return to View1, or find a view you like and choose "Set Reader's View" on the Views pulldown menu so you can get back to it. The object of the exercise is to find the hydrogen bonds and draw them in, starting on a simple example with clear, unambiguous H-bonds and lots of clues included. This kinemage has the drawline function already turned on. Click on two atoms to draw a green line between them, which is shortened at each end for less confusion with the covalent bonds. In this exercise, you should work with the H atoms turned on, and draw the H-bond between the H and the O (either direction is always fine); the scoring function in kins 1 & 3 will think you did it wrong if you draw between N and O (in later exercises you will practice finding H-bonds without the help of seeing the H's). [Tip: If you uncheck the drawline button temporarily, you can take advantage of the atom-identity and distance displays at the bottom of the screen, without producing any new lines.] Turn off the sidechains and start looking for possible donor-acceptor pairs on the backbone, with suitable geometry. The H-bond donor should be a peptide NH and the acceptor a backbone CO. They should approximately point at each other, with an H-O distance less than 2.5A (1.7-2.0A is best). The N-H-O angle is best at 180 and should be above about 135 degrees. [For the NH, both the electrostatic dipole interaction and the bonding contribution in an H-bond are optimal at 180.] The C-O-H angle is less critical, but should be above 100 degrees. [For the CO, the electrostatic effect is optimal at 180, but the bonding contribution is best at the lone-pair positions, at an angle near 120.] H-bond energy decreases with each factor that is non-ideal, but of course setting specific limits is arbitrary. In this kinemage, however, all the possible H-bonds are close to ideal. When you find a pair with suitable geometry, draw in the H-bond. (If you don't like it, once you move it around and look from all angles, then remove it with the "eraselast" button.) Once you have drawn lines for all the backbone H-bonds, turn the sidechains back on and see if you can find any sidechain-to-backbone or sidechain-sidechain H-bonds and draw them in also, again checking for suitable geometry. There are many more potential H-bond donors (e.g., any OH, Lys NH3, Asn/Gln NH2) and acceptors (e.g., the exposed side of an OH O, Asp/Glu carboxyl O, Asn/Gln CO) on the sidechains. When you are done, choose "Score & Stay" on the Kinemage pulldown menu, and the program will both give you an overall score and show what you got right and wrong: correct H-bonds will stay green, incorrect ones will be hotpink, and ones you didn't find will be shown in lilac. Study the ones you got wrong, to figure out what makes them unacceptable. If you want to try again, turn off "score" and "answer". You can then either edit and add to your previous H-bonds (the "new group"), or you can erase them all and start over. When done, you can get a new score. Then choose "Next" on the Kinemage menu to move on to the next exercise. [If it's grayed out, there are no more exercises and you should quit Mage.] KINEMAGE 2 - Retrial on beta hairpin, without H's and balls This is the same beta hairpin you last worked on, but this time the task is to draw all the H-bonds without the help of seeing the N and O balls and the polar H atoms in the display. Again, first draw in the backbone H-bonds, this time clicking on an O and an N atom. You may want to keep on the sidechains, to mark where the Calphas are. Then find and draw the sidechain H-bonds. When done, use the "Score & Stay" function and study any you got wrong. Cycle thru the exercise again if you want, or choose Next to move on. KINEMAGE 3 - A small helix, with polar H's, pointID's, and balls: This exercise is set up the same way as the first one, but for an alpha-helix plus a bit extra on each end. First, turn off the sidechains and identify and draw in the alpha-helical H-bonds in the regular central part of the helix (keep on the H atoms and the N and O balls, and draw between H and O, checking for suitable geometry as described above). Most of the helical H-bonds have nearly ideal geometry and the classic alpha-helix pattern of CO(i)-NH(i+4). At the C-terminus, however, that pattern is distorted, with some of the H-bonds weak or marginal (with bad angles and/or longer distances), and sometimes bifurcated. Although the cutoff is fairly arbitrary, O(36)-NH(40) and O(38)-NH(41) are acceptable, O(37)-NH(40) is very marginal (both angles are bad), and O(37)-NH(41) is clearly unacceptable (the N-H-O angle is 110). You may need to use measures to check out marginal cases, but for good H-bonds you should learn to spot them by eye. Make your analysis, and draw in the H-bonds for the C-terminal end of the helix. Once you have drawn lines for all the backbone H-bonds, turn the sidechains back on and see if you can find any sidechain-to-backbone H-bonds and draw them in also, again checking for suitable geometry. There are many more potential H-bond donors (e.g., any OH, Lys NH3) and acceptors (e.g., Asp Od, Glu Oe, His N) on the sidechains. In this case, there are no sidechain-sidechain H-bonds. When you are done, choose "Score & Stay" and study any you got wrong. Turn off "score" and "answer", erase your previous H-bonds, and try the task again with the N/O atom balls turned off (leave on the H atoms, and draw from them). Score again, and choose "Next" to move on. KINEMAGE 4 - A small loop and beta piece, without H's and balls In this exercise, you see the structure with just the heavier atoms for backbone and sidechains, the way it would usually be shown in a published figure or in most graphics programs. First identify the backbone H-bonds, and draw them in by clicking on the N and the O atoms. (In this kinemage, the score will not work if you draw from the H.) [The balls and H atoms can be turned on temporarily, if you get confused or to check your assignments, but try to do without them .] This example includes good H-bonds with quite non-linear C-O-H angles. Turn sidechains back on, look for sidechain-to-mainchain H-bonds, and draw them in. [Turn on H's temporarily to remind you of where they should be, but don't draw from them.] When you are done, choose "Score & Stay" and study any you got wrong. To try again, turn off "score" and "answer", erase your previous H-bonds, and start over. Score again, and choose "Next" to move on. KINEMAGE 5 - Protein/DNA complex (partial) This time you will identify H-bonds that make up one part of the functional binding site for the complex of lambda repressor with its DNA operator site. The protein is in shades of yellow, and the DNA has white backbone and lilac bases. Polar H atoms (gray) and atom balls on N, O, & P are included. The second, more distant, DNA strand has its backbone simplified. First look for and draw H-bonds between protein sidechains and DNA bases, which provide sequence-specific interactions (mostly on the top half of the interface, in View1). Draw between the hydrogen and the acceptor atom. Then draw lines to show the H-bonds between protein and the DNA backbone; at least one should involve an atom on the protein backbone. Turn off the DNA but leave on the protein and your "new group" of drawn H-bonds. Look for two places where sidechains that contact DNA are also held in place by H-bonds between two of the sidechains; draw in those H-bonds. Use "Score & Stay", study any wrong or missing H-bonds, and cycle thru the exercise again if you want. Several features not used in the scoring are visible for study. As in many protein/DNA interactions, here there are indirect H-bonds that join lambda to the DNA through well-ordered water molecules; two such interfacial waters can be turned on for examination. Turn on the "Hb dots" button to visualize directly the favorable atomic overlaps that constitute these protein/DNA H-bonds, shown as lens shapes of pale green dots (including the ones thru the waters). Also, you may want to practice drawing the base-pair H-bonds in the DNA (3 for GC, 2 for AT). Remember that they are not included in the scoring function, so you must evaluate their appearance for yourself. This is the last H-bond practice example. When done, quit out of Mage. HbondPractice.kin was authored by Jane S. Richardson, copyright 2002. It is freely available for educational use. See http://kinemage.biochem.duke.edu for the Mage display software, which should be version 6.14 or later to work with this kinemage. @kinemage 1 @caption Draw a line (between H and O) for each good hydrogen bond in this piece of protein. There are backbone, sidechain-mainchain and sidechain-sidechain H-bonds. (Sidechains and N/O balls can be turned off or on.) @drawline @shortline 0.4 @nosavealert @bigfonts @zoom 1.05 @zslab 200 @ztran 0 @center 11.185 -2.130 16.181 @matrix -0.188716 0.968370 -0.163236 -0.615031 -0.246132 -0.749104 -0.765588 -0.040972 0.642027 @master {mainchain} @master {atoms} @master {H's} @master {sidechain} @comment {mut from 1ifcH112_129.pdb} @group {molecule} dominant @balllist {mc N} color= sky master= {mainchain} master= {atoms} radius= 0.150 { n leu 113 }-0.134 -0.709 16.422 { n ile 114 }2.516 -2.617 15.895 { n leu 115 }5.710 -2.478 14.811 { n thr 116 }8.399 -4.473 14.144 { n phe 117 }11.839 -4.864 13.887 { n glu 118 }14.604 -6.823 12.863 { n gly 119 }18.046 -7.059 12.703 { n ser 120 }21.176 -8.231 12.073 { n gly 121 }21.321 -9.460 14.661 { n val 122 }20.187 -7.547 16.397 { n glu 123 }17.287 -6.067 17.703 { n ala 124 }14.609 -3.933 17.105 { n lys 125 }11.801 -1.845 17.850 { n ala 126 }9.020 -0.025 16.644 { n ile 127 }6.234 1.564 17.653 { n phe 128 }2.979 2.278 16.907 { n lys 129 }0.128 4.366 17.205 @balllist {mc O} color= red master= {mainchain} master= {atoms} radius= 0.150 { o glu 112 }-1.574 -2.365 16.888 { o leu 113 }2.628 -0.401 15.961 { o ile 114 }4.462 -4.385 14.696 { o leu 115 }8.513 -2.514 15.256 { o thr 116 }10.289 -5.907 12.631 { o phe 117 }14.120 -5.912 14.865 { o glu 118 }16.562 -7.645 11.096 { o gly 119 }20.663 -6.668 13.618 { o ser 120 }23.249 -8.380 14.918 { o gly 121 }20.712 -8.822 18.192 { o val 122 }17.767 -6.653 15.613 { o glu 123 }15.771 -4.185 19.034 { o ala 124 }12.116 -3.321 16.209 { o lys 125 }10.618 0.556 18.145 { o ala 126 }6.370 0.144 15.924 { o ile 127 }4.349 3.538 18.251 { o phe 128 }0.314 2.129 17.600 @vectorlist {mc} color= white master= {mainchain} { ca glu 112 }P -1.613 -0.426 18.320 { c glu 112 }-1.092 -1.270 17.148 { o glu 112 }-1.574 -2.365 16.888 { c glu 112 }P -1.092 -1.270 17.148 { n leu 113 }-0.134 -0.709 16.422 { ca leu 113 }0.528 -1.378 15.313 { c leu 113 }2.003 -1.429 15.729 { o leu 113 }2.628 -0.401 15.961 { c leu 113 }P 2.003 -1.429 15.729 { n ile 114 }2.516 -2.617 15.895 { ca ile 114 }3.887 -2.725 16.331 { c ile 114 }4.707 -3.270 15.175 { o ile 114 }4.462 -4.385 14.696 { c ile 114 }P 4.707 -3.270 15.175 { n leu 115 }5.710 -2.478 14.811 { ca leu 115 }6.655 -2.838 13.793 { c leu 115 }7.945 -3.270 14.467 { o leu 115 }8.513 -2.514 15.256 { c leu 115 }P 7.945 -3.270 14.467 { n thr 116 }8.399 -4.473 14.144 { ca thr 116 }9.613 -5.028 14.733 { c thr 116 }10.620 -5.301 13.637 { o thr 116 }10.289 -5.907 12.631 { c thr 116 }P 10.620 -5.301 13.637 { n phe 117 }11.839 -4.864 13.887 { ca phe 117 }12.907 -5.110 12.948 { c phe 117 }13.933 -6.000 13.640 { o phe 117 }14.120 -5.912 14.865 { c phe 117 }P 13.933 -6.000 13.640 { n glu 118 }14.604 -6.823 12.863 { ca glu 118 }15.789 -7.542 13.358 { c glu 118 }16.835 -7.419 12.268 { o glu 118 }16.562 -7.645 11.096 { c glu 118 }P 16.835 -7.419 12.268 { n gly 119 }18.046 -7.059 12.703 { ca gly 119 }19.166 -6.910 11.795 { c gly 119 }20.426 -7.249 12.575 { o gly 119 }20.663 -6.668 13.618 { c gly 119 }P 20.426 -7.249 12.575 { n ser 120 }21.176 -8.231 12.073 { ca ser 120 }22.432 -8.627 12.684 { c ser 120 }22.377 -8.823 14.182 { o ser 120 }23.249 -8.380 14.918 { c ser 120 }P 22.377 -8.823 14.182 { n gly 121 }21.321 -9.460 14.661 { ca gly 121 }21.253 -9.717 16.077 { c gly 121 }20.700 -8.643 16.986 { o gly 121 }20.712 -8.822 18.192 { c gly 121 }P 20.700 -8.643 16.986 { n val 122 }20.187 -7.547 16.397 { ca val 122 }19.602 -6.463 17.155 { c val 122 }18.119 -6.391 16.754 { o val 122 }17.767 -6.653 15.613 { c val 122 }P 18.119 -6.391 16.754 { n glu 123 }17.287 -6.067 17.703 { ca glu 123 }15.857 -5.954 17.465 { c glu 123 }15.422 -4.591 17.919 { o glu 123 }15.771 -4.185 19.034 { c glu 123 }P 15.422 -4.591 17.919 { n ala 124 }14.609 -3.933 17.105 { ca ala 124 }14.029 -2.653 17.481 { c ala 124 }12.556 -2.663 17.123 { o ala 124 }12.116 -3.321 16.209 { c ala 124 }P 12.556 -2.663 17.123 { n lys 125 }11.801 -1.845 17.850 { ca lys 125 }10.394 -1.753 17.540 { c lys 125 }10.018 -0.298 17.468 { o lys 125 }10.618 0.556 18.145 { c lys 125 }P 10.018 -0.298 17.468 { n ala 126 }9.020 -0.025 16.644 { ca ala 126 }8.345 1.281 16.550 { c ala 126 }6.882 0.977 16.650 { o ala 126 }6.370 0.144 15.924 { c ala 126 }P 6.882 0.977 16.650 { n ile 127 }6.234 1.564 17.653 { ca ile 127 }4.844 1.240 17.957 { c ile 127 }4.023 2.468 17.725 { o ile 127 }4.349 3.538 18.251 { c ile 127 }P 4.023 2.468 17.725 { n phe 128 }2.979 2.278 16.907 { ca phe 128 }2.092 3.281 16.459 { c phe 128 }0.742 3.199 17.152 { o phe 128 }0.314 2.129 17.600 { c phe 128 }P 0.742 3.199 17.152 { n lys 129 }0.128 4.366 17.205 { ca lys 129 }-1.217 4.494 17.722 @vectorlist {mc H} color= gray master= {mainchain} master= {H's} { n leu 113 }P -0.134 -0.709 16.422 { h leu 113 }0.202 0.218 16.587 { n ile 114 }P 2.516 -2.617 15.895 { h ile 114 }2.037 -3.482 15.745 { n leu 115 }P 5.710 -2.478 14.811 { h leu 115 }5.877 -1.580 15.218 { n thr 116 }P 8.399 -4.473 14.144 { h thr 116 }7.950 -5.077 13.485 { n phe 117 }P 11.839 -4.864 13.887 { h phe 117 }12.104 -4.354 14.706 { n glu 118 }P 14.604 -6.823 12.863 { h glu 118 }14.367 -7.015 11.911 { n gly 119 }P 18.046 -7.059 12.703 { h gly 119 }18.262 -6.871 13.661 { n ser 120 }P 21.176 -8.231 12.073 { h ser 120 }20.933 -8.755 11.257 { n gly 121 }P 21.321 -9.460 14.661 { h gly 121 }20.546 -9.788 14.121 { n val 122 }P 20.187 -7.547 16.397 { h val 122 }20.174 -7.406 15.407 { n glu 123 }P 17.287 -6.067 17.703 { h glu 123 }17.564 -5.876 18.645 { n ala 124 }P 14.609 -3.933 17.105 { h ala 124 }14.342 -4.258 16.198 { n lys 125 }P 11.801 -1.845 17.850 { h lys 125 }12.121 -1.275 18.607 { n ala 126 }P 9.020 -0.025 16.644 { h ala 126 }8.646 -0.704 16.012 { n ile 127 }P 6.234 1.564 17.653 { h ile 127 }6.640 2.251 18.255 { n phe 128 }P 2.979 2.278 16.907 { h phe 128 }2.750 1.375 16.545 { n lys 129 }P 0.128 4.366 17.205 { h lys 129 }0.537 5.226 16.900 @balllist {sc N} color= sky master= {atoms} master= {sidechain} radius= 0.150 { nz lys 125 }9.000 -6.838 19.125 @balllist {sc O} color= red master= {atoms} master= {sidechain} radius= 0.150 { og1 thr 116 }8.398 -6.211 16.456 { oe1 glu 118 }17.218 -10.384 12.028 { oe2 glu 118 }18.817 -10.437 13.534 { og ser 120 }23.782 -7.566 10.963 { oe1 glu 123 }13.529 -8.524 20.372 { oe2 glu 123 }11.687 -8.041 19.244 @vectorlist {sc} color= cyan master= {sidechain} { oe2 glu 112 }0.197 1.744 22.286 { ca leu 113 }P 0.528 -1.378 15.313 { cb leu 113 }0.334 -0.627 13.981 { cg leu 113 }1.322 -1.074 12.910 { cd1 leu 113 }0.974 -2.478 12.459 { cg leu 113 }P 1.322 -1.074 12.910 { cd2 leu 113 }1.217 -0.180 11.694 { ca ile 114 }P 3.887 -2.725 16.331 { cb ile 114 }4.045 -3.763 17.427 { cg1 ile 114 }3.363 -3.480 18.762 { cd1 ile 114 }3.110 -4.745 19.605 { cb ile 114 }P 4.045 -3.763 17.427 { cg2 ile 114 }5.512 -4.139 17.575 { ca leu 115 }P 6.655 -2.838 13.793 { cb leu 115 }6.906 -1.673 12.833 { cg leu 115 }7.845 -1.954 11.658 { cd1 leu 115 }7.362 -3.156 10.861 { cg leu 115 }P 7.845 -1.954 11.658 { cd2 leu 115 }7.908 -0.758 10.721 { ca thr 116 }P 9.613 -5.028 14.733 { cb thr 116 }9.350 -6.375 15.419 { og1 thr 116 }8.398 -6.211 16.456 { cb thr 116 }P 9.350 -6.375 15.419 { cg2 thr 116 }10.664 -6.864 16.011 { ca phe 117 }P 12.907 -5.110 12.948 { cb phe 117 }13.545 -3.804 12.471 { cg phe 117 }12.739 -3.080 11.431 { cd1 phe 117 }11.647 -3.686 10.835 { ce1 phe 117 }10.905 -3.021 9.877 { cz phe 117 }11.246 -1.738 9.508 { cg phe 117 }P 12.739 -3.080 11.431 { cd2 phe 117 }13.068 -1.790 11.052 { ce2 phe 117 }12.328 -1.121 10.095 { cz phe 117 }11.246 -1.738 9.508 { ca glu 118 }P 15.789 -7.542 13.358 { cb glu 118 }15.477 -9.006 13.674 { cg glu 118 }16.648 -9.779 14.257 { cd glu 118 }17.632 -10.234 13.197 { oe1 glu 118 }17.218 -10.384 12.028 { cd glu 118 }P 17.632 -10.234 13.197 { oe2 glu 118 }18.817 -10.437 13.534 { ca ser 120 }P 22.432 -8.627 12.684 { cb ser 120 }23.509 -7.592 12.354 { og ser 120 }23.782 -7.566 10.963 { ca val 122 }P 19.602 -6.463 17.155 { cb val 122 }20.319 -5.136 16.848 { cg1 val 122 }19.781 -3.989 17.690 { cb val 122 }P 20.319 -5.136 16.848 { cg2 val 122 }21.800 -5.290 17.161 { ca glu 123 }P 15.857 -5.954 17.465 { cb glu 123 }15.159 -6.915 18.467 { cg glu 123 }13.620 -7.013 18.433 { cd glu 123 }12.968 -7.938 19.460 { oe1 glu 123 }13.529 -8.524 20.372 { cd glu 123 }P 12.968 -7.938 19.460 { oe2 glu 123 }11.687 -8.041 19.244 { ca ala 124 }P 14.029 -2.653 17.481 { cb ala 124 }14.684 -1.475 16.788 { ca lys 125 }P 10.394 -1.753 17.540 { cb lys 125 }9.557 -2.406 18.658 { cg lys 125 }9.818 -3.902 18.912 { cd lys 125 }8.953 -4.545 20.009 { ce lys 125 }9.274 -6.005 20.300 { nz lys 125 }9.000 -6.838 19.125 { ca ala 126 }P 8.345 1.281 16.550 { cb ala 126 }8.680 2.008 15.256 { ca ile 127 }P 4.844 1.240 17.957 { cb ile 127 }4.722 0.725 19.404 { cg1 ile 127 }5.736 -0.370 19.730 { cd1 ile 127 }5.771 -0.766 21.208 { cb ile 127 }P 4.722 0.725 19.404 { cg2 ile 127 }3.311 0.335 19.839 { ca phe 128 }P 2.092 3.281 16.459 { cb phe 128 }1.899 3.075 14.940 { cg phe 128 }3.184 3.106 14.116 { cd1 phe 128 }4.074 2.047 14.119 { ce1 phe 128 }5.241 2.093 13.361 { cz phe 128 }5.538 3.219 12.597 { cg phe 128 }P 3.184 3.106 14.116 { cd2 phe 128 }3.499 4.211 13.333 { ce2 phe 128 }4.655 4.288 12.578 { cz phe 128 }5.538 3.219 12.597 @vectorlist {sc H} color= gray master= {H's} master= {sidechain} { og1 thr 116 }P 8.398 -6.211 16.456 { hg1 thr 116 }7.989 -7.096 16.676 { og ser 120 }P 23.782 -7.566 10.963 { hg ser 120 }24.486 -6.881 10.776 { nz lys 125 }P 9.000 -6.838 19.125 {1hz lys 125 }8.277 -7.494 19.342 { nz lys 125 }P 9.000 -6.838 19.125 {2hz lys 125 }8.706 -6.258 18.366 { nz lys 125 }P 9.000 -6.838 19.125 {3hz lys 125 }9.830 -7.331 18.865 { cb ala 126 }P 8.680 2.008 15.256 {1hb ala 126 }8.155 2.974 15.231 @labellist {instr} color= white screen {Draw the H-bonds, H to acceptor} @group {ref} dominant nobutton off @vectorlist {Drawn} answer { h val 122 }P 20.272 -7.258 15.048 { o gly 119 }20.565 -6.816 13.977 { h gly 119 }P 18.164 -6.828 14.046 { o val 122 }17.865 -6.696 15.228 { h ala 124 }P 14.300 -4.568 15.948 { o phe 117 }14.162 -5.602 15.115 { h phe 117 }P 12.107 -4.127 15.036 { o ala 124 }12.113 -3.548 15.879 { h ala 126 }P 8.619 -1.072 15.858 { o leu 115 }8.540 -2.146 15.410 { h leu 115 }P 5.979 -1.222 15.365 { o ala 126 }6.268 -0.214 15.777 { h phe 128 }P 2.724 0.996 16.420 { o leu 113 }2.654 -0.022 16.086 { h leu 113 }P 0.223 0.571 16.774 { o phe 128 }0.293 1.776 17.413 { h gly 121 }P 20.189 -9.922 14.000 { oe2 glu 118 }19.174 -10.303 13.655 {3hz lys 125 }P 10.197 -7.471 18.940 { oe2 glu 123 }11.320 -7.901 19.169 {2hz lys 125 }P 8.642 -6.248 17.971 { og1 thr 116 }8.462 -6.221 16.851 @kinemage 2 @caption Draw a line (between N & O, or O & O) for each good H-bond in this piece of protein. There are backbone, sidechain-mainchain and sidechain-sidechain H-bonds. (Turn sidechains and N/O balls on only afterward.) @drawline @shortline 0.5 @nosavealert @bigfonts @zoom 1.05 @zslab 200 @ztran 0 @center 11.185 -2.130 16.181 @matrix -0.188716 0.968370 -0.163236 -0.615031 -0.246132 -0.749104 -0.765588 -0.040972 0.642027 @master {mainchain} @master {atoms} @master {H's} @master {sidechain} @comment {mut from 1ifcH112_129.pdb} @group {molecule} dominant @balllist {mc N} color= sky master= {mainchain} master= {atoms} radius= 0.15 off { n leu 113 }-0.134 -0.709 16.422 { n ile 114 }2.516 -2.617 15.895 { n leu 115 }5.710 -2.478 14.811 { n thr 116 }8.399 -4.473 14.144 { n phe 117 }11.839 -4.864 13.887 { n glu 118 }14.604 -6.823 12.863 { n gly 119 }18.046 -7.059 12.703 { n ser 120 }21.176 -8.231 12.073 { n gly 121 }21.321 -9.460 14.661 { n val 122 }20.187 -7.547 16.397 { n glu 123 }17.287 -6.067 17.703 { n ala 124 }14.609 -3.933 17.105 { n lys 125 }11.801 -1.845 17.850 { n ala 126 }9.020 -0.025 16.644 { n ile 127 }6.234 1.564 17.653 { n phe 128 }2.979 2.278 16.907 { n lys 129 }0.128 4.366 17.205 @balllist {mc O} color= red master= {mainchain} master= {atoms} radius= 0.15 off { o glu 112 }-1.574 -2.365 16.888 { o leu 113 }2.628 -0.401 15.961 { o ile 114 }4.462 -4.385 14.696 { o leu 115 }8.513 -2.514 15.256 { o thr 116 }10.289 -5.907 12.631 { o phe 117 }14.120 -5.912 14.865 { o glu 118 }16.562 -7.645 11.096 { o gly 119 }20.663 -6.668 13.618 { o ser 120 }23.249 -8.380 14.918 { o gly 121 }20.712 -8.822 18.192 { o val 122 }17.767 -6.653 15.613 { o glu 123 }15.771 -4.185 19.034 { o ala 124 }12.116 -3.321 16.209 { o lys 125 }10.618 0.556 18.145 { o ala 126 }6.370 0.144 15.924 { o ile 127 }4.349 3.538 18.251 { o phe 128 }0.314 2.129 17.600 @vectorlist {mc} color= white master= {mainchain} { ca glu 112 }P -1.613 -0.426 18.320 { c glu 112 }-1.092 -1.270 17.148 { o glu 112 }-1.574 -2.365 16.888 { c glu 112 }P -1.092 -1.270 17.148 { n leu 113 }-0.134 -0.709 16.422 { ca leu 113 }0.528 -1.378 15.313 { c leu 113 }2.003 -1.429 15.729 { o leu 113 }2.628 -0.401 15.961 { c leu 113 }P 2.003 -1.429 15.729 { n ile 114 }2.516 -2.617 15.895 { ca ile 114 }3.887 -2.725 16.331 { c ile 114 }4.707 -3.270 15.175 { o ile 114 }4.462 -4.385 14.696 { c ile 114 }P 4.707 -3.270 15.175 { n leu 115 }5.710 -2.478 14.811 { ca leu 115 }6.655 -2.838 13.793 { c leu 115 }7.945 -3.270 14.467 { o leu 115 }8.513 -2.514 15.256 { c leu 115 }P 7.945 -3.270 14.467 { n thr 116 }8.399 -4.473 14.144 { ca thr 116 }9.613 -5.028 14.733 { c thr 116 }10.620 -5.301 13.637 { o thr 116 }10.289 -5.907 12.631 { c thr 116 }P 10.620 -5.301 13.637 { n phe 117 }11.839 -4.864 13.887 { ca phe 117 }12.907 -5.110 12.948 { c phe 117 }13.933 -6.000 13.640 { o phe 117 }14.120 -5.912 14.865 { c phe 117 }P 13.933 -6.000 13.640 { n glu 118 }14.604 -6.823 12.863 { ca glu 118 }15.789 -7.542 13.358 { c glu 118 }16.835 -7.419 12.268 { o glu 118 }16.562 -7.645 11.096 { c glu 118 }P 16.835 -7.419 12.268 { n gly 119 }18.046 -7.059 12.703 { ca gly 119 }19.166 -6.910 11.795 { c gly 119 }20.426 -7.249 12.575 { o gly 119 }20.663 -6.668 13.618 { c gly 119 }P 20.426 -7.249 12.575 { n ser 120 }21.176 -8.231 12.073 { ca ser 120 }22.432 -8.627 12.684 { c ser 120 }22.377 -8.823 14.182 { o ser 120 }23.249 -8.380 14.918 { c ser 120 }P 22.377 -8.823 14.182 { n gly 121 }21.321 -9.460 14.661 { ca gly 121 }21.253 -9.717 16.077 { c gly 121 }20.700 -8.643 16.986 { o gly 121 }20.712 -8.822 18.192 { c gly 121 }P 20.700 -8.643 16.986 { n val 122 }20.187 -7.547 16.397 { ca val 122 }19.602 -6.463 17.155 { c val 122 }18.119 -6.391 16.754 { o val 122 }17.767 -6.653 15.613 { c val 122 }P 18.119 -6.391 16.754 { n glu 123 }17.287 -6.067 17.703 { ca glu 123 }15.857 -5.954 17.465 { c glu 123 }15.422 -4.591 17.919 { o glu 123 }15.771 -4.185 19.034 { c glu 123 }P 15.422 -4.591 17.919 { n ala 124 }14.609 -3.933 17.105 { ca ala 124 }14.029 -2.653 17.481 { c ala 124 }12.556 -2.663 17.123 { o ala 124 }12.116 -3.321 16.209 { c ala 124 }P 12.556 -2.663 17.123 { n lys 125 }11.801 -1.845 17.850 { ca lys 125 }10.394 -1.753 17.540 { c lys 125 }10.018 -0.298 17.468 { o lys 125 }10.618 0.556 18.145 { c lys 125 }P 10.018 -0.298 17.468 { n ala 126 }9.020 -0.025 16.644 { ca ala 126 }8.345 1.281 16.550 { c ala 126 }6.882 0.977 16.650 { o ala 126 }6.370 0.144 15.924 { c ala 126 }P 6.882 0.977 16.650 { n ile 127 }6.234 1.564 17.653 { ca ile 127 }4.844 1.240 17.957 { c ile 127 }4.023 2.468 17.725 { o ile 127 }4.349 3.538 18.251 { c ile 127 }P 4.023 2.468 17.725 { n phe 128 }2.979 2.278 16.907 { ca phe 128 }2.092 3.281 16.459 { c phe 128 }0.742 3.199 17.152 { o phe 128 }0.314 2.129 17.600 { c phe 128 }P 0.742 3.199 17.152 { n lys 129 }0.128 4.366 17.205 { ca lys 129 }-1.217 4.494 17.722 @vectorlist {mc H} color= gray master= {mainchain} master= {H's} off { n leu 113 }P -0.134 -0.709 16.422 { h leu 113 }0.202 0.218 16.587 { n ile 114 }P 2.516 -2.617 15.895 { h ile 114 }2.037 -3.482 15.745 { n leu 115 }P 5.710 -2.478 14.811 { h leu 115 }5.877 -1.580 15.218 { n thr 116 }P 8.399 -4.473 14.144 { h thr 116 }7.950 -5.077 13.485 { n phe 117 }P 11.839 -4.864 13.887 { h phe 117 }12.104 -4.354 14.706 { n glu 118 }P 14.604 -6.823 12.863 { h glu 118 }14.367 -7.015 11.911 { n gly 119 }P 18.046 -7.059 12.703 { h gly 119 }18.262 -6.871 13.661 { n ser 120 }P 21.176 -8.231 12.073 { h ser 120 }20.933 -8.755 11.257 { n gly 121 }P 21.321 -9.460 14.661 { h gly 121 }20.546 -9.788 14.121 { n val 122 }P 20.187 -7.547 16.397 { h val 122 }20.174 -7.406 15.407 { n glu 123 }P 17.287 -6.067 17.703 { h glu 123 }17.564 -5.876 18.645 { n ala 124 }P 14.609 -3.933 17.105 { h ala 124 }14.342 -4.258 16.198 { n lys 125 }P 11.801 -1.845 17.850 { h lys 125 }12.121 -1.275 18.607 { n ala 126 }P 9.020 -0.025 16.644 { h ala 126 }8.646 -0.704 16.012 { n ile 127 }P 6.234 1.564 17.653 { h ile 127 }6.640 2.251 18.255 { n phe 128 }P 2.979 2.278 16.907 { h phe 128 }2.750 1.375 16.545 { n lys 129 }P 0.128 4.366 17.205 { h lys 129 }0.537 5.226 16.900 @balllist {sc N} color= sky master= {atoms} master= {sidechain} radius= 0.15 off { nz lys 125 }9.000 -6.838 19.125 @balllist {sc O} color= red master= {atoms} master= {sidechain} radius= 0.15 off { og1 thr 116 }8.398 -6.211 16.456 { oe1 glu 118 }17.218 -10.384 12.028 { oe2 glu 118 }18.817 -10.437 13.534 { og ser 120 }23.782 -7.566 10.963 { oe1 glu 123 }13.529 -8.524 20.372 { oe2 glu 123 }11.687 -8.041 19.244 @vectorlist {sc} color= cyan master= {sidechain} { oe2 glu 112 }0.197 1.744 22.286 { ca leu 113 }P 0.528 -1.378 15.313 { cb leu 113 }0.334 -0.627 13.981 { cg leu 113 }1.322 -1.074 12.910 { cd1 leu 113 }0.974 -2.478 12.459 { cg leu 113 }P 1.322 -1.074 12.910 { cd2 leu 113 }1.217 -0.180 11.694 { ca ile 114 }P 3.887 -2.725 16.331 { cb ile 114 }4.045 -3.763 17.427 { cg1 ile 114 }3.363 -3.480 18.762 { cd1 ile 114 }3.110 -4.745 19.605 { cb ile 114 }P 4.045 -3.763 17.427 { cg2 ile 114 }5.512 -4.139 17.575 { ca leu 115 }P 6.655 -2.838 13.793 { cb leu 115 }6.906 -1.673 12.833 { cg leu 115 }7.845 -1.954 11.658 { cd1 leu 115 }7.362 -3.156 10.861 { cg leu 115 }P 7.845 -1.954 11.658 { cd2 leu 115 }7.908 -0.758 10.721 { ca thr 116 }P 9.613 -5.028 14.733 { cb thr 116 }9.350 -6.375 15.419 { og1 thr 116 }8.398 -6.211 16.456 { cb thr 116 }P 9.350 -6.375 15.419 { cg2 thr 116 }10.664 -6.864 16.011 { ca phe 117 }P 12.907 -5.110 12.948 { cb phe 117 }13.545 -3.804 12.471 { cg phe 117 }12.739 -3.080 11.431 { cd1 phe 117 }11.647 -3.686 10.835 { ce1 phe 117 }10.905 -3.021 9.877 { cz phe 117 }11.246 -1.738 9.508 { cg phe 117 }P 12.739 -3.080 11.431 { cd2 phe 117 }13.068 -1.790 11.052 { ce2 phe 117 }12.328 -1.121 10.095 { cz phe 117 }11.246 -1.738 9.508 { ca glu 118 }P 15.789 -7.542 13.358 { cb glu 118 }15.477 -9.006 13.674 { cg glu 118 }16.648 -9.779 14.257 { cd glu 118 }17.632 -10.234 13.197 { oe1 glu 118 }17.218 -10.384 12.028 { cd glu 118 }P 17.632 -10.234 13.197 { oe2 glu 118 }18.817 -10.437 13.534 { ca ser 120 }P 22.432 -8.627 12.684 { cb ser 120 }23.509 -7.592 12.354 { og ser 120 }23.782 -7.566 10.963 { ca val 122 }P 19.602 -6.463 17.155 { cb val 122 }20.319 -5.136 16.848 { cg1 val 122 }19.781 -3.989 17.690 { cb val 122 }P 20.319 -5.136 16.848 { cg2 val 122 }21.800 -5.290 17.161 { ca glu 123 }P 15.857 -5.954 17.465 { cb glu 123 }15.159 -6.915 18.467 { cg glu 123 }13.620 -7.013 18.433 { cd glu 123 }12.968 -7.938 19.460 { oe1 glu 123 }13.529 -8.524 20.372 { cd glu 123 }P 12.968 -7.938 19.460 { oe2 glu 123 }11.687 -8.041 19.244 { ca ala 124 }P 14.029 -2.653 17.481 { cb ala 124 }14.684 -1.475 16.788 { ca lys 125 }P 10.394 -1.753 17.540 { cb lys 125 }9.557 -2.406 18.658 { cg lys 125 }9.818 -3.902 18.912 { cd lys 125 }8.953 -4.545 20.009 { ce lys 125 }9.274 -6.005 20.300 { nz lys 125 }9.000 -6.838 19.125 { ca ala 126 }P 8.345 1.281 16.550 { cb ala 126 }8.680 2.008 15.256 { ca ile 127 }P 4.844 1.240 17.957 { cb ile 127 }4.722 0.725 19.404 { cg1 ile 127 }5.736 -0.370 19.730 { cd1 ile 127 }5.771 -0.766 21.208 { cb ile 127 }P 4.722 0.725 19.404 { cg2 ile 127 }3.311 0.335 19.839 { ca phe 128 }P 2.092 3.281 16.459 { cb phe 128 }1.899 3.075 14.940 { cg phe 128 }3.184 3.106 14.116 { cd1 phe 128 }4.074 2.047 14.119 { ce1 phe 128 }5.241 2.093 13.361 { cz phe 128 }5.538 3.219 12.597 { cg phe 128 }P 3.184 3.106 14.116 { cd2 phe 128 }3.499 4.211 13.333 { ce2 phe 128 }4.655 4.288 12.578 { cz phe 128 }5.538 3.219 12.597 @vectorlist {sc H} color= gray master= {H's} master= {sidechain} off { og1 thr 116 }P 8.398 -6.211 16.456 { hg1 thr 116 }7.989 -7.096 16.676 { og ser 120 }P 23.782 -7.566 10.963 { hg ser 120 }24.486 -6.881 10.776 { nz lys 125 }P 9.000 -6.838 19.125 {1hz lys 125 }8.277 -7.494 19.342 { nz lys 125 }P 9.000 -6.838 19.125 {2hz lys 125 }8.706 -6.258 18.366 { nz lys 125 }P 9.000 -6.838 19.125 {3hz lys 125 }9.830 -7.331 18.865 { cb ala 126 }P 8.680 2.008 15.256 {1hb ala 126 }8.155 2.974 15.231 @labellist {instr} color= white screen {Draw the H-bonds, N to O or O to O} @group {ref} dominant nobutton off @vectorlist {Drawn} answer { n val 122 }P 20.268 -7.398 15.927 { o gly 119 }20.582 -6.817 14.088 { o val 122 }P 17.814 -6.722 15.120 { n gly 119 }17.999 -6.990 13.196 { n ala 124 }P 14.528 -4.260 16.735 { o phe 117 }14.201 -5.585 15.235 { o ala 124 }P 12.067 -3.596 15.795 { n phe 117 }11.888 -4.589 14.301 { n ala 126 }P 8.932 -0.455 16.404 { o leu 115 }8.601 -2.084 15.496 { o ala 126 }P 6.257 -0.304 15.734 { n leu 115 }5.823 -2.030 15.001 { n phe 128 }P 2.918 1.810 16.742 { o leu 113 }2.689 0.067 16.126 { o phe 128 }P 0.242 1.672 17.410 { n leu 113 }-0.062 -0.252 16.612 { oe2 glu 118 }P 19.247 -10.269 13.727 { n gly 121 }20.891 -9.628 14.468 { oe2 glu 123 }P 11.231 -7.837 19.224 { nz lys 125 }9.456 -7.042 19.145 { og1 thr 116 }P 8.505 -6.323 16.931 { nz lys 125 }8.893 -6.726 18.650 @kinemage 3 @caption Draw a line (between H and O) for each good hydrogen bond in this small piece of protein. There are both mainchain-mainchain and sidechain-mainchain H-bonds. (Sidechains and balls can be turned off or on.) @drawline @shortline 0.4 @nosavealert @bigfonts @comment {modified from 1lmb4H30_43.pdb} @zoom 1.40 @zslab 180 @ztran 0 @center 1.345 -13.409 -9.327 @matrix -0.263321 -0.365344 -0.892853 0.861821 0.326805 -0.387893 0.433504 -0.871620 0.228807 @group {molecule} dominant @subgroup {mainchain} @balllist {mc N} color= sky master= {mainchain} master= {atoms} radius= 0.1 { n leu 31 } <1lmb4H30_44> 1.509 -17.607 -18.106 { n ser 32 }0.212 -14.835 -16.071 { n gln 33 }-0.075 -11.631 -14.531 { n glu 34 }-1.825 -11.839 -12.471 { n ser 35 }-1.915 -14.612 -12.074 { n val 36 }0.732 -15.079 -11.303 { n ala 37 }0.830 -13.513 -8.879 { n asp 38 }-1.002 -14.996 -7.252 { n lys 39 }0.451 -17.373 -6.978 { n met 40 }2.363 -16.422 -5.413 { n gly 41 }1.014 -15.674 -3.273 { n met 42 }-0.061 -12.998 -2.975 { n gly 43 }-1.526 -9.874 -4.177 @balllist {mc O} color= red master= {mainchain} master= {atoms} radius= 0.1 { o gly 30 }0.099 -19.179 -17.354 { o leu 31 }0.481 -14.972 -18.317 { o ser 32 }0.447 -13.661 -13.778 { o gln 33 }-0.099 -11.762 -11.027 { o glu 34 }-2.437 -14.171 -9.951 { o ser 35 }-0.184 -16.537 -9.824 { o val 36 }2.164 -15.207 -8.131 { o ala 37 }0.340 -14.389 -5.534 { o asp 38 }-0.506 -17.488 -4.933 { o lys 39 }3.020 -18.406 -4.790 { o met 40 }2.857 -15.174 -2.179 { o gly 41 }0.208 -13.318 -0.732 { o met 42 }-1.713 -11.977 -4.768 @vectorlist {mc} color= white master= {mainchain} { n gly 30 }2.548 -19.698 -19.773 { ca gly 30 }P 1.135 -19.540 -19.503 { c gly 30 }0.869 -18.762 -18.213 { o gly 30 }0.099 -19.179 -17.354 { c gly 30 }P 0.869 -18.762 -18.213 { n leu 31 }1.509 -17.607 -18.106 { ca leu 31 }1.394 -16.737 -16.942 { c leu 31 }0.642 -15.433 -17.187 { o leu 31 }0.481 -14.972 -18.317 { c leu 31 }P 0.642 -15.433 -17.187 { n ser 32 }0.212 -14.835 -16.071 { ca ser 32 }-0.455 -13.546 -15.983 { c ser 32 }0.009 -12.938 -14.673 { o ser 32 }0.447 -13.661 -13.778 { c ser 32 }P 0.009 -12.938 -14.673 { n gln 33 }-0.075 -11.631 -14.531 { ca gln 33 }0.336 -11.036 -13.276 { c gln 33 }-0.547 -11.576 -12.160 { o gln 33 }-0.099 -11.762 -11.027 { c gln 33 }P -0.547 -11.576 -12.160 { n glu 34 }-1.825 -11.839 -12.471 { ca glu 34 }-2.714 -12.368 -11.452 { c glu 34 }-2.343 -13.792 -11.107 { o glu 34 }-2.437 -14.171 -9.951 { c glu 34 }P -2.343 -13.792 -11.107 { n ser 35 }-1.915 -14.612 -12.074 { ca ser 35 }-1.544 -15.954 -11.657 { c ser 35 }-0.277 -15.882 -10.849 { o ser 35 }-0.184 -16.537 -9.824 { c ser 35 }P -0.277 -15.882 -10.849 { n val 36 }0.732 -15.079 -11.303 { ca val 36 }2.007 -14.945 -10.542 { c val 36 }1.684 -14.564 -9.069 { o val 36 }2.164 -15.207 -8.131 { c val 36 }P 1.684 -14.564 -9.069 { n ala 37 }0.830 -13.513 -8.879 { ca ala 37 }0.400 -13.036 -7.540 { c ala 37 }-0.092 -14.205 -6.674 { o ala 37 }0.340 -14.389 -5.534 { c ala 37 }P -0.092 -14.205 -6.674 { n asp 38 }-1.002 -14.996 -7.252 { ca asp 38 }-1.574 -16.157 -6.598 { c asp 38 }-0.495 -17.069 -6.093 { o asp 38 }-0.506 -17.488 -4.933 { c asp 38 }P -0.495 -17.069 -6.093 { n lys 39 }0.451 -17.373 -6.978 { ca lys 39 }1.546 -18.237 -6.615 { c lys 39 }2.358 -17.688 -5.522 { o lys 39 }3.020 -18.406 -4.790 { c lys 39 }P 2.358 -17.688 -5.522 { n met 40 }2.363 -16.422 -5.413 { ca met 40 }3.158 -15.892 -4.382 { c met 40 }2.321 -15.566 -3.191 { o met 40 }2.857 -15.174 -2.179 { c met 40 }P 2.321 -15.566 -3.191 { n gly 41 }1.014 -15.674 -3.273 { ca gly 41 }0.244 -15.315 -2.098 { c gly 41 }0.097 -13.781 -1.875 { o gly 41 }0.208 -13.318 -0.732 { c gly 41 }P 0.097 -13.781 -1.875 { n met 42 }-0.061 -12.998 -2.975 { ca met 42 }-0.253 -11.534 -2.939 { c met 42 }-1.224 -11.130 -4.034 { o met 42 }-1.713 -11.977 -4.768 { c met 42 }P -1.224 -11.130 -4.034 { n gly 43 }-1.526 -9.874 -4.177 { ca gly 43 }-2.452 -9.543 -5.233 @vectorlist {mc H} color= gray master= {mainchain} master= {H's} { n leu 31 } P 1.509, -17.607, -18.106 { h leu 31 } L 2.116, -17.250, -18.816 { n ser 32 } P 0.212, -14.835, -16.071 { h ser 32 } L 0.328, -15.260, -15.173 { n gln 33 } P -0.075, -11.631, -14.531 { h gln 33 } L -0.405, -10.993, -15.227 { n glu 34 } P -1.825, -11.839, -12.471 { h glu 34 } L -2.238, -11.700, -13.371 { n ser 35 } P -1.915, -14.612, -12.074 { h ser 35 } L -1.825, -14.397, -13.046 { n val 36 } P 0.732, -15.079, -11.303 { h val 36 } L 0.690, -14.543, -12.146 { n ala 37 } P 0.830, -13.513, -8.879 { h ala 37 } L 0.434, -12.990, -9.634 { n asp 38 } P -1.002, -14.996, -7.252 { h asp 38 } L -1.352, -14.842, -8.176 { n lys 39 } P 0.451, -17.373, -6.978 { h lys 39 } L 0.473, -17.039, -7.920 { n met 40 } P 2.363, -16.422, -5.413 { h met 40 } L 1.862, -15.770, -5.982 { n gly 41 } P 1.014, -15.674, -3.273 { h gly 41 } L 0.495, -15.981, -4.071 { n met 42 } P -0.061, -12.998, -2.975 { h met 42 } L -0.058, -13.370, -3.903 { n gly 43 } P -1.526, -9.874, -4.177 { h gly 43 } L -1.180, -9.113, -3.627 @subgroup {sidechain} @balllist {sc S} color= yellow master= {atoms} master= {sidechain} radius= 0.1 { sd met 40 }5.592 -13.245 -6.599 { sd met 42 }3.271 -9.738 -4.200 @balllist {sc N} color= sky master= {atoms} master= {sidechain} radius= 0.1 { ne2 gln 33 }2.570 -6.978 -14.856 { nz lys 39 }3.182 -21.622 -11.199 @balllist {sc O} color= red master= {atoms} master= {sidechain} radius= 0.1 { og ser 32 }-2.398 -14.063 -14.717 { oe1 gln 33 }0.955 -6.766 -13.288 { oe1 glu 34 }-5.474 -9.703 -11.201 { oe2 glu 34 }-6.031 -9.541 -13.372 { og ser 35 }-0.351 -16.518 -13.629 { od1 asp 38 }-4.306 -15.491 -6.973 { od2 asp 38 }-4.313 -16.520 -8.954 @vectorlist {sc} color= cyan master= {sidechain} { ca leu 31 }P 1.394 -16.737 -16.942 { cb leu 31 }2.846 -16.319 -16.492 { cg leu 31 }3.698 -17.466 -15.933 { cd1 leu 31 }5.140 -17.021 -15.656 { cg leu 31 }P 3.698 -17.466 -15.933 { cd2 leu 31 }3.055 -18.001 -14.662 { ca ser 32 }P -0.455 -13.546 -15.983 { cb ser 32 }-1.958 -13.618 -15.979 { og ser 32 }-2.398 -14.063 -14.717 { ca gln 33 }P 0.336 -11.036 -13.276 { cb gln 33 }0.279 -9.497 -13.299 { cg gln 33 }1.392 -8.938 -14.181 { cd gln 33 }1.619 -7.463 -14.064 { oe1 gln 33 }0.955 -6.766 -13.288 { cd gln 33 }P 1.619 -7.463 -14.064 { ne2 gln 33 }2.570 -6.978 -14.856 { ca glu 34 }P -2.714 -12.368 -11.452 { cb glu 34 }-4.175 -12.205 -11.806 { cg glu 34 }-4.265 -11.018 -12.750 { cd glu 34 }-5.343 -10.029 -12.476 { oe1 glu 34 }-5.474 -9.703 -11.201 { cd glu 34 }P -5.343 -10.029 -12.476 { oe2 glu 34 }-6.031 -9.541 -13.372 { ca ser 35 }P -1.544 -15.954 -11.657 { cb ser 35 }-1.363 -16.962 -12.760 { og ser 35 }-0.351 -16.518 -13.629 { ca val 36 }P 2.007 -14.945 -10.542 { cb val 36 }3.059 -13.993 -11.180 { cg1 val 36 }4.269 -13.843 -10.259 { cb val 36 }P 3.059 -13.993 -11.180 { cg2 val 36 }3.498 -14.476 -12.568 { ca ala 37 }P 0.400 -13.036 -7.540 { cb ala 37 }-0.676 -11.956 -7.649 { ca asp 38 }P -1.574 -16.157 -6.598 { cb asp 38 }-2.484 -16.930 -7.554 { cg asp 38 }-3.791 -16.239 -7.786 { od1 asp 38 }-4.306 -15.491 -6.973 { cg asp 38 }P -3.791 -16.239 -7.786 { od2 asp 38 }-4.313 -16.520 -8.954 { ca lys 39 }P 1.546 -18.237 -6.615 { cb lys 39 }2.477 -18.460 -7.750 { cg lys 39 }2.394 -19.881 -8.179 { cd lys 39 }2.001 -20.086 -9.626 { ce lys 39 }2.259 -21.520 -10.037 { nz lys 39 }3.182 -21.622 -11.199 { ca met 40 }P 3.158 -15.892 -4.382 { cb met 40 }3.911 -14.615 -4.841 { cg met 40 }4.877 -14.806 -6.007 { sd met 40 }5.592 -13.245 -6.599 { ce met 40 }6.654 -12.819 -5.196 { ca met 42 }P -0.253 -11.534 -2.939 { cb met 42 }1.033 -10.701 -2.982 { cg met 42 }1.829 -10.821 -4.261 { sd met 42 }3.271 -9.738 -4.200 { ce met 42 }4.288 -10.637 -3.007 @vectorlist {sc H} color= gray master= {sidechain} master= {H's} { og ser 32 } P -2.398, -14.063, -14.717 { hg ser 32 } L -3.397, -14.111, -14.710 { ne2 gln 33 } P 2.570, -6.978, -14.856 {1he2 gln 33 } L 2.780, -6.000, -14.844 { ne2 gln 33 } P 2.570, -6.978, -14.856 {2he2 gln 33 } L 3.075, -7.591, -15.464 { og ser 35 } P -0.351, -16.518, -13.629 { hg ser 35 } 0.516 -16.937 -13.508 { nz lys 39 } P 3.182, -21.622, -11.199 {1hz lys 39 } L 3.321, -22.585, -11.432 { nz lys 39 } P 3.182, -21.622, -11.199 {2hz lys 39 } L 2.786, -21.144, -11.983 { nz lys 39 } P 3.182, -21.622, -11.199 {3hz lys 39 } L 4.061, -21.206, -10.965 @subgroup {instructions} dominant @labellist {instructions} color= white screen {Draw in the H-bonds} -180, 180, 100 @group {answer} dominant nobutton off @vectorlist {Drawn} answer { h val 36 }P 0.638 -14.354 -12.495 { o ser 32 }0.499 -13.850 -13.429 { h ala 37 }P 0.324 -12.736 -9.922 { o gln 33 }0.011 -12.016 -10.739 { h asp 38 }P -1.551 -14.719 -8.501 { o glu 34 }-2.238 -14.294 -9.626 { h lys 39 }P 0.346 -16.942 -8.287 { o ser 35 }-0.057 -16.634 -9.457 { h gly 41 }P 0.295 -16.282 -4.243 { o asp 38 }-0.306 -17.187 -4.761 { h met 42 }P 0.023 -13.578 -4.235 { o ala 37 }0.259 -14.181 -5.202 { h met 40 }P 1.916 -15.670 -6.365 { o val 36 }2.110 -15.307 -7.748 { h met 40 }P 1.573 -15.507 -5.897 { o ala 37 }0.629 -14.652 -5.619 { h ser 35 }P -1.952 -14.323 -13.418 { og ser 32 }-2.271 -14.137 -14.345 { h ser 32 }P 0.199 -15.499 -14.879 { og ser 35 }-0.222 -16.279 -13.923 @kinemage 4 @caption Draw a line (between donor & acceptor non-H atoms) for each good hydrogen bond in this piece of protein. There are backbone and sidechain-mainchain H-bonds. (Turn on H's or balls only for cross-check.) @drawline @shortline 0.5 @nosavealert @bigfonts @zoom 1.20 @zslab 220 @ztran 0 @center 27.513 -13.521 57.462 @matrix -0.092565 -0.987902 -0.124424 0.322317 0.088503 -0.942486 0.942095 -0.127346 0.310225 @master {mainchain} @master {atoms} @master {H's} @master {Hbonds} @master {sidechain} @group {molecule} dominant @subgroup {mainchain} @balllist {mc N} color= sky master= {mainchain} master= {atoms} off radius= 0.150 { n phe b 77 } 33.500 -11.906 55.687 { n glu b 78 }30.454 -13.742 56.192 { n gly b 79 }27.429 -15.725 56.047 { n lys b 80 }23.851 -15.179 56.278 { n asn b 81 }23.372 -12.659 57.250 { n gly b 82 }25.815 -11.472 57.401 { n glu b 83 }27.021 -12.361 59.683 { n leu b 84 }28.742 -14.373 60.348 @balllist {mc O} color= red master= {mainchain} master= {atoms} off radius= 0.150 { o gly b 76 }34.684 -13.224 57.086 { o phe b 77 }31.305 -12.837 54.329 { o glu b 78 }28.181 -14.184 57.483 { o gly b 79 }25.490 -13.967 55.280 { o lys b 80 }22.599 -12.071 55.225 { o asn b 81 }25.071 -9.914 58.820 { o gly b 82 }28.523 -10.674 59.542 { o glu b 83 }28.695 -13.898 62.546 { o leu b 84 }31.127 -14.202 58.973 { oxt leu b 84 }31.968 -15.918 59.992 @vectorlist {mc} color= white master= {mainchain} { ca gly b 76 }P 35.874 -12.201 55.270 { c gly b 76 }34.630 -12.480 56.094 { o gly b 76 }34.684 -13.224 57.086 { c gly b 76 }P 34.630 -12.480 56.094 { n phe b 77 }33.500 -11.906 55.687 { ca phe b 77 }32.251 -12.160 56.402 { c phe b 77 }31.293 -12.949 55.546 { o phe b 77 }31.305 -12.837 54.329 { c phe b 77 }P 31.293 -12.949 55.546 { n glu b 78 }30.454 -13.742 56.192 { ca glu b 78 }29.455 -14.530 55.486 { c glu b 78 }28.297 -14.804 56.433 { o glu b 78 }28.181 -14.184 57.483 { c glu b 78 }P 28.297 -14.804 56.433 { n gly b 79 }27.429 -15.725 56.047 { ca gly b 79 }26.131 -15.809 56.680 { c gly b 79 }25.123 -14.902 56.010 { o gly b 79 }25.490 -13.967 55.280 { c gly b 79 }P 25.123 -14.902 56.010 { n lys b 80 }23.851 -15.179 56.278 { ca lys b 80 }22.741 -14.422 55.709 { c lys b 80 }22.894 -12.939 56.041 { o lys b 80 }22.599 -12.071 55.225 { c lys b 80 }P 22.894 -12.939 56.041 { n asn b 81 }23.372 -12.659 57.250 { ca asn b 81 }23.418 -11.294 57.773 { c asn b 81 }24.850 -10.849 58.071 { o asn b 81 }25.071 -9.914 58.820 { c asn b 81 }P 24.850 -10.849 58.071 { n gly b 82 }25.815 -11.472 57.401 { ca gly b 82 }27.227 -11.140 57.597 { c gly b 82 }27.654 -11.384 59.040 { o gly b 82 }28.523 -10.674 59.542 { c gly b 82 }P 27.654 -11.384 59.040 { n glu b 83 }27.021 -12.361 59.683 { ca glu b 83 }27.270 -12.610 61.111 { c glu b 83 }28.286 -13.708 61.400 { o glu b 83 }28.695 -13.898 62.546 { c glu b 83 }P 28.286 -13.708 61.400 { n leu b 84 }28.742 -14.373 60.348 { ca leu b 84 }29.689 -15.464 60.468 { c leu b 84 }31.018 -15.156 59.771 { o leu b 84 }31.127 -14.202 58.973 { c leu b 84 }P 31.018 -15.156 59.771 { oxt leu b 84 }31.968 -15.918 59.992 @vectorlist {mc H} color= gray nobutton master= {mainchain} master= {H's} off { n phe b 77 }P 33.500 -11.906 55.687 { h phe b 77 }33.423 -11.290 54.903 { ca phe b 77 }P 32.251 -12.160 56.402 { ha phe b 77 }32.490 -12.748 57.300 { n glu b 78 }P 30.454 -13.742 56.192 { h glu b 78 }30.444 -13.855 57.185 { ca glu b 78 }P 29.455 -14.530 55.486 { ha glu b 78 }29.109 -13.983 54.597 { n gly b 79 }P 27.429 -15.725 56.047 { h gly b 79 }27.595 -16.398 55.326 { ca gly b 79 }P 26.131 -15.809 56.680 {1ha gly b 79 }25.771 -16.848 56.644 { n lys b 80 }P 23.851 -15.179 56.278 { h lys b 80 }23.566 -15.921 56.885 { ca lys b 80 }P 22.741 -14.422 55.709 { ha lys b 80 }22.737 -14.551 54.617 { n asn b 81 }P 23.372 -12.659 57.250 { h asn b 81 }23.729 -13.350 57.879 { ca asn b 81 }P 23.418 -11.294 57.773 { ha asn b 81 }23.018 -10.619 57.002 { n gly b 82 }P 25.815 -11.472 57.401 { h cys b 82 }25.651 -12.195 56.730 { ca gly b 82 }P 27.227 -11.140 57.597 { ha cys b 82 }27.802 -11.794 56.925 { n glu b 83 }P 27.021 -12.361 59.683 { h glu b 83 }26.355 -12.975 59.260 { ca glu b 83 }P 27.270 -12.610 61.111 { ha glu b 83 }27.720 -11.676 61.478 { n leu b 84 }P 28.742 -14.373 60.348 { h leu b 84 }28.469 -14.173 59.407 { ca leu b 84 }P 29.689 -15.464 60.468 { ha leu b 84 }29.893 -15.612 61.539 @subgroup {sidechain} @balllist {sc N} color= sky master= {atoms} master= {sidechain} off radius= 0.150 { nz lys b 80 }18.414 -13.380 52.602 { nd2 asn b 81 }20.665 -12.668 59.412 @balllist {sc O} color= red master= {atoms} master= {sidechain} off radius= 0.150 { oe1 glu b 78 }31.775 -18.128 54.687 { oe2 glu b 78 }33.529 -16.812 54.887 { od1 asn b 81 }20.423 -10.992 57.989 { oe1 glu b 83 }24.814 -13.739 59.482 { oe2 glu b 83 }24.374 -15.749 60.226 @vectorlist {sc} color= cyan master= {sidechain} { ca phe b 77 }P 32.251 -12.160 56.402 { cb phe b 77 }31.607 -10.861 56.818 { cg phe b 77 }32.393 -10.097 57.812 { cd1 phe b 77 }33.439 -9.263 57.407 { ce1 phe b 77 }34.182 -8.567 58.338 { cz phe b 77 }33.893 -8.693 59.690 { cg phe b 77 }P 32.393 -10.097 57.812 { cd2 phe b 77 }32.104 -10.216 59.174 { ce2 phe b 77 }32.858 -9.515 60.108 { cz phe b 77 }33.893 -8.693 59.690 { ca glu b 78 }P 29.455 -14.530 55.486 { cb glu b 78 }30.068 -15.872 55.067 { cg glu b 78 }31.442 -15.765 54.422 { cd glu b 78 }32.308 -16.991 54.681 { oe1 glu b 78 }31.775 -18.128 54.687 { cd glu b 78 }P 32.308 -16.991 54.681 { oe2 glu b 78 }33.529 -16.812 54.887 { ca lys b 80 }P 22.741 -14.422 55.709 { cb lys b 80 }21.434 -14.932 56.304 { cg lys b 80 }20.216 -14.073 55.951 { cd lys b 80 }19.977 -14.036 54.449 { ce lys b 80 }18.672 -13.315 54.080 { nz lys b 80 }18.414 -13.380 52.602 { ca asn b 81 }P 23.418 -11.294 57.773 { cb asn b 81 }22.554 -11.199 59.045 { cg asn b 81 }21.105 -11.601 58.784 { od1 asn b 81 }20.423 -10.992 57.989 { cg asn b 81 }P 21.105 -11.601 58.784 { nd2 asn b 81 }20.665 -12.668 59.412 { ca glu b 83 }P 27.270 -12.610 61.111 { cb glu b 83 }25.968 -12.888 61.866 { cg glu b 83 }25.425 -14.289 61.736 { cd glu b 83 }24.828 -14.606 60.384 { oe1 glu b 83 }24.814 -13.739 59.482 { cd glu b 83 }P 24.828 -14.606 60.384 { oe2 glu b 83 }24.374 -15.749 60.226 { ca leu b 84 }P 29.689 -15.464 60.468 { cb leu b 84 }29.084 -16.725 59.841 { cg leu b 84 }27.764 -17.188 60.465 { cd1 leu b 84 }27.093 -18.259 59.615 { cg leu b 84 }P 27.764 -17.188 60.465 { cd2 leu b 84 }28.055 -17.699 61.829 @vectorlist {sc H} color= gray master= {H's} master= {sidechain} off { cb phe b 77 }P 31.607 -10.861 56.818 {1hb phe b 77 }31.455 -10.236 55.926 { cb phe b 77 }P 31.607 -10.861 56.818 {2hb phe b 77 }30.612 -11.073 57.236 { cd1 phe b 77 }P 33.439 -9.263 57.407 { hd1 phe b 77 }33.672 -9.161 56.337 { cd2 phe b 77 }P 32.104 -10.216 59.174 { hd2 phe b 77 }31.280 -10.864 59.507 { ce1 phe b 77 }P 34.182 -8.567 58.338 { he1 phe b 77 }35.003 -7.913 58.009 { ce2 phe b 77 }P 32.858 -9.515 60.108 { he2 phe b 77 }32.633 -9.613 61.180 { cz phe b 77 }P 33.893 -8.693 59.690 { hz phe b 77 }34.487 -8.139 60.432 { ca gly b 79 }P 26.131 -15.809 56.680 {2ha gly b 79 }26.222 -15.536 57.742 { cb lys b 80 }P 21.434 -14.932 56.304 {1hb lys b 80 }21.259 -15.960 55.954 { cb lys b 80 }P 21.434 -14.932 56.304 {2hb lys b 80 }21.534 -14.978 57.399 { cg lys b 80 }P 20.216 -14.073 55.951 {1hg lys b 80 }19.324 -14.473 56.456 { cg lys b 80 }P 20.216 -14.073 55.951 {2hg lys b 80 }20.366 -13.050 56.325 { cd lys b 80 }P 19.977 -14.036 54.449 {1hd lys b 80 }20.822 -13.531 53.959 { cd lys b 80 }P 19.977 -14.036 54.449 {2hd lys b 80 }19.947 -15.065 54.060 { ce lys b 80 }P 18.672 -13.315 54.080 {1he lys b 80 }17.831 -13.772 54.622 { ce lys b 80 }P 18.672 -13.315 54.080 {2he lys b 80 }18.727 -12.264 54.400 { nz lys b 80 }P 18.414 -13.380 52.602 {1hz lys b 80 }18.008 -12.519 52.296 { nz lys b 80 }P 18.414 -13.380 52.602 {2hz lys b 80 }19.276 -13.532 52.119 { nz lys b 80 }P 18.414 -13.380 52.602 {3hz lys b 80 }17.785 -14.132 52.406 { cb asn b 81 }P 22.554 -11.199 59.045 {1hb asn b 81 }22.979 -11.848 59.825 { cb asn b 81 }P 22.554 -11.199 59.045 {2hb asn b 81 }22.584 -10.170 59.432 { nd2 asn b 81 }P 20.665 -12.668 59.412 {1hd2 asn b 81 }19.739 -13.003 59.240 { nd2 asn b 81 }P 20.665 -12.668 59.412 {2hd2 asn b 81 }21.257 -13.145 60.062 { cb glu b 83 }P 25.968 -12.888 61.866 {1hb glu b 83 }26.131 -12.675 62.933 { cb glu b 83 }P 25.968 -12.888 61.866 {2hb glu b 83 }25.202 -12.183 61.511 { cg glu b 83 }P 25.425 -14.289 61.736 {1hg glu b 83 }26.236 -15.003 61.941 { cg glu b 83 }P 25.425 -14.289 61.736 {2hg glu b 83 }24.656 -14.444 62.508 { cb leu b 84 }P 29.084 -16.725 59.841 {1hb leu b 84 }28.921 -16.541 58.769 { cb leu b 84 }P 29.084 -16.725 59.841 {2hb leu b 84 }29.816 -17.542 59.919 { cg leu b 84 }P 27.764 -17.188 60.465 { hg leu b 84 }27.063 -16.342 60.519 { cd1 leu b 84 }P 27.093 -18.259 59.615 {1hd1 leu b 84 }26.151 -18.568 60.091 { cd1 leu b 84 }P 27.093 -18.259 59.615 {2hd1 leu b 84 }26.883 -17.855 58.614 { cd1 leu b 84 }P 27.093 -18.259 59.615 {3hd1 leu b 84 }27.761 -19.129 59.526 { cd2 leu b 84 }P 28.055 -17.699 61.829 {1hd2 leu b 84 }27.121 -18.039 62.301 { cd2 leu b 84 }P 28.055 -17.699 61.829 {2hd2 leu b 84 }28.760 -18.541 61.763 { cd2 leu b 84 }P 28.055 -17.699 61.829 {3hd2 leu b 84 }28.500 -16.896 62.435 @labellist {instr} color= white static screen {Draw the H-bonds (eg, N to O)}-180.000 180.000 100.000 @group {ref} dominant nobutton off @subgroup {} nobutton @vectorlist {Drawn} answer { o leu b 84 }P 31.011 -14.123 58.493 { n glu b 78 }30.570 -13.821 56.672 { n leu b 84 }P 28.646 -14.341 59.858 { o glu b 78 }28.277 -14.216 57.973 { n gly b 82 }P 25.766 -11.851 57.079 { o gly b 79 }25.539 -13.588 55.602 { oe1 glu b 83 }P 24.563 -13.551 59.093 { n asn b 81 }23.623 -12.847 57.639 { oe1 glu b 83 }P 25.237 -13.475 59.521 { n glu b 83 }26.598 -12.625 59.644 @kinemage 5 @caption Draw in the H-bonds between the protein (yellows) and the DNA bases (lilac) or backbone (white), using the H atoms. Also find 2 H-bonds between DNA-binding sidechains. @comment {from 1lmbH3comp.pdb} @drawline @shortline 0.4 @nosavealert @bigfonts @onewidth @zoom 1.6 @zslab 230 @center 21.781 -4.591 25.231 @matrix -0.46011 -0.68865 -0.56041 0.37463 0.42167 -0.82574 0.80494 -0.58989 0.06398 @master {dna bb} @master {dna bases} @master {mainchain} @master {sidechain} @master {H's} @group {1lmb DNA} dominant @subgroup {a strand} dominant @balllist {mc O} color= red radius= 0.15 master= {dna bb} master= {atoms} { o3* a a 2 } P 28.455, -7.949, 28.898 { o1p t a 3 } P 27.688, -7.428, 26.578 { o2p t a 3 } P 27.555, -9.830, 27.498 { o5* t a 3 } P 26.018, -8.047, 28.362 { o4* t a 3 } P 24.295, -6.545, 30.255 { o3* t a 3 } P 22.188, -8.951, 29.641 { o1p a a 4 } P 20.897, -9.566, 27.591 { o2p a a 4 } P 20.661, -10.874, 29.775 { o5* a a 4 } P 19.719, -8.603, 29.584 { o4* a a 4 } P 19.021, -6.090, 30.958 { o3* a a 4 } P 16.211, -7.505, 31.378 { o1p c a 5 } P 14.604, -8.016, 29.530 { o2p c a 5 } P 13.925, -8.277, 31.974 { o5* c a 5 } P 14.234, -6.008, 31.021 { o4* c a 5 } P 14.685, -3.048, 30.966 { o3* c a 5 } P 11.526, -3.164, 31.775 { o1p c a 6 } P 9.514, -3.993, 30.523 { o2p c a 6 } P 9.342, -2.612, 32.709 { o5* c a 6 } P 10.020, -1.548, 30.473 { o4* c a 6 } P 11.385, 1.014, 29.068 { o3* c a 6 } P 8.144, 1.757, 29.347 { o1p a a 7 } P 6.309, 0.562, 28.140 { o2p a a 7 } P 5.794, 2.249, 30.019 @balllist {mc P} color= yellow radius= 0.2 master= {dna bb} master= {atoms} { p t a 3 } P 27.459, -8.360, 27.709 { p a a 4 } P 20.852, -9.597, 29.062 { p c a 5 } P 14.682, -7.556, 30.936 { p c a 6 } P 10.000, -2.894, 31.390 { p a a 7 } P 6.614, 1.821, 28.844 @vectorlist {mc} color= white master= {dna bb} { c3* a a 2 B16.35}P 29.026 -6.620 29.071 {"}29.026 -6.620 29.071 { o3* a a 2 B17.25}28.455 -7.949 28.898 { p t a 3 B20.00}27.459 -8.360 27.709 { o1p t a 3 B18.28}27.688 -7.428 26.578 { p t a 3 B20.00}P 27.459 -8.360 27.709 { o2p t a 3 B20.42}27.555 -9.830 27.498 { p t a 3 B20.00}P 27.459 -8.360 27.709 { o5* t a 3 B19.54}26.018 -8.047 28.362 { c5* t a 3 B21.06}25.589 -8.535 29.677 { c4* t a 3 B17.38}24.234 -7.962 30.052 { o4* t a 3 B15.41}24.295 -6.545 30.255 { c4* t a 3 B17.38}P 24.234 -7.962 30.052 { c3* t a 3 B15.51}23.175 -8.194 28.987 { o3* t a 3 B20.58}22.188 -8.951 29.641 { c3* t a 3 B15.51}P 23.175 -8.194 28.987 { c2* t a 3 B12.29}22.706 -6.786 28.601 { o4* t a 3 B15.41}P 24.295 -6.545 30.255 { c1* t a 3 B13.09}23.059 -6.033 29.860 { c2* t a 3 B12.29}P 22.706 -6.786 28.601 { c1* t a 3 B13.09}23.059 -6.033 29.860 { c2* t a 3 B12.29}22.706 -6.786 28.601 { p t a 3 B20.00}P 27.459 -8.360 27.709 {"}27.459 -8.360 27.709 { o3* t a 3 B20.58}P 22.188 -8.951 29.641 { p a a 4 B19.69}20.852 -9.597 29.062 { o1p a a 4 B15.23}20.897 -9.566 27.591 { p a a 4 B19.69}P 20.852 -9.597 29.062 { o2p a a 4 B22.39}20.661 -10.874 29.775 { p a a 4 B19.69}P 20.852 -9.597 29.062 { o5* a a 4 B18.57}19.719 -8.603 29.584 { c5* a a 4 B19.13}19.581 -8.408 30.992 { c4* a a 4 B19.48}18.518 -7.385 31.280 { o4* a a 4 B19.48}19.021 -6.090 30.958 { c4* a a 4 B19.48}P 18.518 -7.385 31.280 { c3* a a 4 B19.09}17.259 -7.582 30.479 { o3* a a 4 B22.64}16.211 -7.505 31.378 { c3* a a 4 B19.09}P 17.259 -7.582 30.479 { c2* a a 4 B12.13}17.274 -6.441 29.448 { o4* a a 4 B19.48}P 19.021 -6.090 30.958 { c1* a a 4 B15.27}18.103 -5.388 30.173 { c2* a a 4 B12.13}P 17.274 -6.441 29.448 { c1* a a 4 B15.27}18.103 -5.388 30.173 { c2* a a 4 B12.13}17.274 -6.441 29.448 { o3* a a 4 B22.64}P 16.211 -7.505 31.378 { p c a 5 B24.11}14.682 -7.556 30.936 { o1p c a 5 B21.22}14.604 -8.016 29.530 { p c a 5 B24.11}P 14.682 -7.556 30.936 { o2p c a 5 B35.12}13.925 -8.277 31.974 { p c a 5 B24.11}P 14.682 -7.556 30.936 { o5* c a 5 B21.46}14.234 -6.008 31.021 { c5* c a 5 B23.70}14.312 -5.117 32.198 { c4* c a 5 B28.31}13.753 -3.739 31.816 { o4* c a 5 B29.82}14.685 -3.048 30.966 { c4* c a 5 B28.31}P 13.753 -3.739 31.816 { c3* c a 5 B32.54}12.460 -3.795 31.012 { o3* c a 5 B39.27}11.526 -3.164 31.775 { c3* c a 5 B32.54}P 12.460 -3.795 31.012 { c2* c a 5 B29.35}12.693 -2.996 29.719 { o4* c a 5 B29.82}P 14.685 -3.048 30.966 { c1* c a 5 B26.20}14.030 -2.317 29.945 { c2* c a 5 B29.35}P 12.693 -2.996 29.719 { c1* c a 5 B26.20}14.030 -2.317 29.945 { c2* c a 5 B29.35}12.693 -2.996 29.719 { o3* c a 5 B39.27}P 11.526 -3.164 31.775 { p c a 6 B42.11}10.000 -2.894 31.390 { o1p c a 6 B38.65}9.514 -3.993 30.523 { p c a 6 B42.11}P 10.000 -2.894 31.390 { o2p c a 6 B44.49}9.342 -2.612 32.709 { p c a 6 B42.11}P 10.000 -2.894 31.390 { o5* c a 6 B43.20}10.020 -1.548 30.473 { c5* c a 6 B42.23}10.601 -0.292 30.908 { c4* c a 6 B39.46}10.294 0.851 29.957 { o4* c a 6 B34.05}11.385 1.014 29.068 { c4* c a 6 B39.46}P 10.294 0.851 29.957 { c3* c a 6 B45.39}9.049 0.652 29.118 { o3* c a 6 B52.91}8.144 1.757 29.347 { c3* c a 6 B45.39}P 9.049 0.652 29.118 { c2* c a 6 B37.97}9.532 0.583 27.685 { o4* c a 6 B34.05}P 11.385 1.014 29.068 { c1* c a 6 B32.19}10.908 1.187 27.772 { c2* c a 6 B37.97}P 9.532 0.583 27.685 { c1* c a 6 B32.19}10.908 1.187 27.772 { c2* c a 6 B37.97}9.532 0.583 27.685 { o3* c a 6 B52.91}P 8.144 1.757 29.347 { p a a 7 B60.12}6.614 1.821 28.844 { o1p a a 7 B60.70}6.309 0.562 28.140 { p a a 7 B60.12}P 6.614 1.821 28.844 { o2p a a 7 B62.41}5.794 2.249 30.019 @balllist {sc N} color= sky radius= 0.15 master= {dna bases} master= {atoms} { n1 t a 3 } P 23.290, -4.701, 29.678 { n3 t a 3 } P 22.958, -2.519, 30.233 { n9 a a 4 } P 18.913, -4.514, 29.324 { n7 a a 4 } P 20.423, -3.894, 27.756 { n6 a a 4 } P 21.003, -0.837, 27.318 { n1 a a 4 } P 19.453, -0.482, 29.005 { n3 a a 4 } P 18.277, -2.254, 30.164 { n1 c a 5 } P 14.973, -2.347, 28.778 { n3 c a 5 } P 16.322, -0.924, 27.456 { n4 c a 5 } P 17.624, -1.764, 25.812 { n1 c a 6 } P 11.782, 0.499, 26.923 { n3 c a 6 } P 13.521, 0.665, 25.379 { n4 c a 6 } P 14.348, -1.199, 24.399 @balllist {sc O} color= red radius= 0.15 master= {dna bases} master= {atoms} { o2 t a 3 } P 21.773, -4.130, 31.276 { o4 t a 3 } P 24.090, -0.855, 29.246 { o2 c a 5 } P 15.027, -0.089, 29.094 { o2 c a 6 } P 12.668, 2.449, 26.385 @vectorlist {bases} color= lilactint master= {dna bases} { c1* t a 3 B13.09}P 23.059 -6.033 29.860 { n1 t a 3 B14.40}23.290 -4.701 29.678 { c2 t a 3 B16.92}22.619 -3.811 30.464 { o2 t a 3 B16.92}21.773 -4.130 31.276 { c2 t a 3 B16.92}P 22.619 -3.811 30.464 { n3 t a 3 B18.81}22.958 -2.519 30.233 { c4 t a 3 B19.22}23.899 -2.055 29.339 { o4 t a 3 B17.89}24.090 -0.855 29.246 { c4 t a 3 B19.22}P 23.899 -2.055 29.339 { c5 t a 3 B17.12}24.589 -3.058 28.558 { c5m t a 3 B12.96}25.631 -2.655 27.554 { n1 t a 3 B14.40}P 23.290 -4.701 29.678 { c6 t a 3 B12.24}24.261 -4.334 28.777 { c5 t a 3 B17.12}24.589 -3.058 28.558 { c6 t a 3 B12.24}24.261 -4.334 28.777 { c5 t a 3 B17.12}24.589 -3.058 28.558 { c1* a a 4 B15.27}P 18.103 -5.388 30.173 { n9 a a 4 B14.83}18.913 -4.514 29.324 { c8 a a 4 B14.13}19.809 -4.901 28.357 { n7 a a 4 B14.52}20.423 -3.894 27.756 { c5 a a 4 B18.60}19.901 -2.756 28.383 { c6 a a 4 B19.13}20.148 -1.346 28.210 { n6 a a 4 B14.25}21.003 -0.837 27.318 { c6 a a 4 B19.13}P 20.148 -1.346 28.210 { n1 a a 4 B22.81}19.453 -0.482 29.005 { c2 a a 4 B20.41}18.595 -0.970 29.903 { n3 a a 4 B19.46}18.277 -2.254 30.164 { c4 a a 4 B19.49}18.983 -3.116 29.363 { c5 a a 4 B18.60}19.901 -2.756 28.383 { n9 a a 4 B14.83}P 18.913 -4.514 29.324 { c4 a a 4 B19.49}18.983 -3.116 29.363 { c5 a a 4 B18.60}19.901 -2.756 28.383 { c4 a a 4 B19.49}18.983 -3.116 29.363 { c5 a a 4 B18.60}19.901 -2.756 28.383 { c4 a a 4 B19.49}P 18.983 -3.116 29.363 { n3 a a 4 B19.46}18.277 -2.254 30.164 { c1* c a 5 B26.20}P 14.030 -2.317 29.945 { n1 c a 5 B18.54}14.973 -2.347 28.778 { c2 c a 5 B22.02}15.437 -1.067 28.461 { o2 c a 5 B23.31}15.027 -0.089 29.094 { c2 c a 5 B22.02}P 15.437 -1.067 28.461 { n3 c a 5 B21.59}16.322 -0.924 27.456 { c4 c a 5 B14.34}16.754 -1.975 26.800 { n4 c a 5 B15.15}17.624 -1.764 25.812 { c4 c a 5 B14.34}P 16.754 -1.975 26.800 { c5 c a 5 B16.45}16.314 -3.286 27.100 { c6 c a 5 B14.80}15.435 -3.429 28.097 { c5 c a 5 B16.45}16.314 -3.286 27.100 { n1 c a 5 B18.54}P 14.973 -2.347 28.778 { c6 c a 5 B14.80}15.435 -3.429 28.097 { c5 c a 5 B16.45}16.314 -3.286 27.100 { c1* c a 6 B32.19}P 10.908 1.187 27.772 { n1 c a 6 B24.70}11.782 0.499 26.923 { c2 c a 6 B23.79}12.673 1.246 26.227 { o2 c a 6 B22.93}12.668 2.449 26.385 { c2 c a 6 B23.79}P 12.673 1.246 26.227 { n3 c a 6 B23.19}13.521 0.665 25.379 { c4 c a 6 B19.20}13.480 -0.635 25.248 { n4 c a 6 B23.64}14.348 -1.199 24.399 { c4 c a 6 B19.20}P 13.480 -0.635 25.248 { c5 c a 6 B20.42}12.559 -1.433 25.961 { c6 c a 6 B19.68}11.723 -0.823 26.790 { c5 c a 6 B20.42}12.559 -1.433 25.961 { n1 c a 6 B24.70}P 11.782 0.499 26.923 { c6 c a 6 B19.68}11.723 -0.823 26.790 { c5 c a 6 B20.42}12.559 -1.433 25.961 @vectorlist {sc H} color= gray master= {H's} master= {dna bases} { n3 t a 3 B18.81}P 22.958 -2.519 30.233 { h3 t a 3 B18.81}22.473 -1.828 30.769 { n6 a a 4 B14.25}P 21.003 -0.837 27.318 {1h6 a a 4 B14.25}21.126 0.153 27.252 { n6 a a 4 B14.25}P 21.003 -0.837 27.318 {2h6 a a 4 B14.25}21.520 -1.446 26.717 { n4 c a 5 B15.15}P 17.624 -1.764 25.812 {1h4 c a 5 B15.15}17.980 -2.536 25.285 { n4 c a 5 B15.15}P 17.624 -1.764 25.812 {2h4 c a 5 B15.15}17.921 -0.834 25.598 { n4 c a 6 B23.64}P 14.348 -1.199 24.399 {1h4 c a 6 B23.64}14.349 -2.191 24.270 { n4 c a 6 B23.64}P 14.348 -1.199 24.399 {2h4 c a 6 B23.64}14.995 -0.629 23.894 @subgroup {strand b} @vectorlist {backbone} color= white master= {dna bb} { p g b 36 B46.91}P 20.418 5.196 17.633 { c4* g b 36 B32.87}18.619 7.514 20.064 { c1* g b 36 B27.74}18.471 6.188 22.001 { c4* g b 36 B32.87}P 18.619 7.514 20.064 { p g b 37 B42.58}20.209 9.620 22.981 { c4* g b 37 B31.04}17.520 8.983 25.797 { c1* g b 37 B30.34}17.917 6.957 26.831 { c4* g b 37 B31.04}P 17.520 8.983 25.797 { p t b 38 B38.36}18.319 9.883 29.454 { c4* t b 38 B26.41}16.598 6.830 31.230 { c1* t b 38 B24.06}17.876 4.928 31.152 { c4* t b 38 B26.41}P 16.598 6.830 31.230 { p a b 39 B33.10}16.665 6.402 35.088 { c4* a b 39 B20.91}15.866 2.618 35.133 { c1* a b 39 B20.20}17.853 1.420 34.983 @balllist {sc N} color= sky radius= 0.15 master= {dna bases} master= {atoms} { n9 g b 36 } P 18.101, 4.808, 22.235 { n7 g b 36 } P 18.498, 2.620, 21.914 { n1 g b 36 } P 15.372, 2.323, 23.788 { n2 g b 36 } P 14.055, 3.968, 24.630 { n3 g b 36 } P 15.980, 4.663, 23.491 { n9 g b 37 } P 18.213, 5.553, 26.513 { n7 g b 37 } P 19.561, 4.113, 25.490 { n1 g b 37 } P 16.976, 1.797, 26.917 { n2 g b 37 } P 15.161, 2.467, 28.170 { n3 g b 37 } P 16.575, 4.078, 27.424 { n1 t b 38 } P 18.807, 4.203, 30.347 { n3 t b 38 } P 19.604, 2.258, 29.412 { n9 a b 39 } P 19.039, 1.592, 34.180 { n7 a b 39 } P 20.667, 2.739, 33.156 { n6 a b 39 } P 22.598, 1.259, 31.311 { n1 a b 39 } P 21.336, -0.603, 31.842 { n3 a b 39 } P 19.447, -0.588, 33.316 @balllist {sc O} color= red radius= 0.15 master= {dna bases} master= {atoms} { o6 g b 36 } P 16.516, 0.525, 23.048 { o6 g b 37 } P 18.747, 0.998, 25.707 { o2 t b 38 } P 17.770, 2.206, 30.719 { o4 t b 38 } P 21.430, 2.284, 28.104 @vectorlist {sc} color= lilactint master= {dna bases} { c1* g b 36 B27.74}P 18.471 6.188 22.001 { n9 g b 36 B23.55}18.101 4.808 22.235 { c8 g b 36 B24.43}18.916 3.837 21.698 { n7 g b 36 B23.46}18.498 2.620 21.914 { c5 g b 36 B21.87}17.320 2.776 22.627 { c6 g b 36 B22.22}16.428 1.765 23.124 { o6 g b 36 B22.28}16.516 0.525 23.048 { c6 g b 36 B22.22}P 16.428 1.765 23.124 { n1 g b 36 B23.64}15.372 2.323 23.788 { c2 g b 36 B24.54}15.173 3.668 23.953 { n2 g b 36 B26.64}14.055 3.968 24.630 { c2 g b 36 B24.54}P 15.173 3.668 23.953 { n3 g b 36 B22.09}15.980 4.663 23.491 { c4 g b 36 B21.52}17.053 4.134 22.836 { c5 g b 36 B21.87}17.320 2.776 22.627 { n9 g b 36 B23.55}P 18.101 4.808 22.235 { c4 g b 36 B21.52}17.053 4.134 22.836 { c5 g b 36 B21.87}17.320 2.776 22.627 { c4 g b 36 B21.52}17.053 4.134 22.836 { c5 g b 36 B21.87}17.320 2.776 22.627 { c4 g b 36 B21.52}P 17.053 4.134 22.836 { n3 g b 36 B22.09}15.980 4.663 23.491 { c1* g b 37 B30.34}P 17.917 6.957 26.831 { n9 g b 37 B29.95}18.213 5.553 26.513 { c8 g b 37 B30.36}19.329 5.368 25.760 { n7 g b 37 B28.40}19.561 4.113 25.490 { c5 g b 37 B26.15}18.505 3.421 26.106 { c6 g b 37 B24.42}18.158 1.992 26.193 { o6 g b 37 B22.43}18.747 0.998 25.707 { c6 g b 37 B24.42}P 18.158 1.992 26.193 { n1 g b 37 B20.37}16.976 1.797 26.917 { c2 g b 37 B17.36}16.260 2.811 27.500 { n2 g b 37 B21.27}15.161 2.467 28.170 { c2 g b 37 B17.36}P 16.260 2.811 27.500 { n3 g b 37 B22.93}16.575 4.078 27.424 { c4 g b 37 B24.52}17.679 4.312 26.726 { c5 g b 37 B26.15}18.505 3.421 26.106 { n9 g b 37 B29.95}P 18.213 5.553 26.513 { c4 g b 37 B24.52}17.679 4.312 26.726 { c5 g b 37 B26.15}18.505 3.421 26.106 { c4 g b 37 B24.52}17.679 4.312 26.726 { c5 g b 37 B26.15}18.505 3.421 26.106 { c4 g b 37 B24.52}P 17.679 4.312 26.726 { n3 g b 37 B22.93}16.575 4.078 27.424 { c1* t b 38 B24.06}P 17.876 4.928 31.152 { n1 t b 38 B21.85}18.807 4.203 30.347 { c2 t b 38 B21.85}18.665 2.842 30.194 { o2 t b 38 B22.75}17.770 2.206 30.719 { c2 t b 38 B21.85}P 18.665 2.842 30.194 { n3 t b 38 B19.11}19.604 2.258 29.412 { c4 t b 38 B21.21}20.641 2.912 28.787 { o4 t b 38 B19.30}21.430 2.284 28.104 { c4 t b 38 B21.21}P 20.641 2.912 28.787 { c5 t b 38 B22.77}20.709 4.327 28.998 { c5m t b 38 B25.69}21.812 5.102 28.355 { n1 t b 38 B21.85}P 18.807 4.203 30.347 { c6 t b 38 B20.64}19.808 4.908 29.759 { c5 t b 38 B22.77}20.709 4.327 28.998 { c6 t b 38 B20.64}19.808 4.908 29.759 { c5 t b 38 B22.77}20.709 4.327 28.998 { c1* a b 39 B20.20}P 17.853 1.420 34.983 { n9 a b 39 B22.15}19.039 1.592 34.180 { c8 a b 39 B21.24}19.646 2.791 33.969 { n7 a b 39 B18.54}20.667 2.739 33.156 { c5 a b 39 B19.80}20.723 1.417 32.805 { c6 a b 39 B20.67}21.568 0.711 31.970 { n6 a b 39 B17.81}22.598 1.259 31.311 { c6 a b 39 B20.67}P 21.568 0.711 31.970 { n1 a b 39 B20.65}21.336 -0.603 31.842 { c2 a b 39 B21.33}20.310 -1.153 32.510 { n3 a b 39 B20.49}19.447 -0.588 33.316 { c4 a b 39 B21.07}19.723 0.697 33.441 { c5 a b 39 B19.80}20.723 1.417 32.805 { n9 a b 39 B22.15}P 19.039 1.592 34.180 { c4 a b 39 B21.07}19.723 0.697 33.441 { c5 a b 39 B19.80}20.723 1.417 32.805 { c4 a b 39 B21.07}19.723 0.697 33.441 { c5 a b 39 B19.80}20.723 1.417 32.805 { c4 a b 39 B21.07}P 19.723 0.697 33.441 { n3 a b 39 B20.49}19.447 -0.588 33.316 @vectorlist {sc H} color= gray master= {H's} master= {dna bases} { n1 g b 36 B23.64}P 15.372 2.323 23.788 { h1 g b 36 B23.64}14.694 1.703 24.183 { n2 g b 36 B26.64}P 14.055 3.968 24.630 {1h2 g b 36 B26.64}13.817 4.924 24.805 { n2 g b 36 B26.64}P 14.055 3.968 24.630 {2h2 g b 36 B26.64}13.459 3.236 24.960 { n1 g b 37 B20.37}P 16.976 1.797 26.917 { h1 g b 37 B20.37}16.633 0.863 27.015 { n2 g b 37 B21.27}P 15.161 2.467 28.170 {1h2 g b 37 B21.27}14.605 3.170 28.613 { n2 g b 37 B21.27}P 15.161 2.467 28.170 {2h2 g b 37 B21.27}14.892 1.506 28.230 { n3 t b 38 B19.11}P 19.604 2.258 29.412 { h3 t b 38 B19.11}19.538 1.269 29.278 { n6 a b 39 B17.81}P 22.598 1.259 31.311 {1h6 a b 39 B17.81}23.173 0.692 30.721 { n6 a b 39 B17.81}P 22.598 1.259 31.311 {2h6 a b 39 B17.81}22.792 2.235 31.409 @group {1lmb repr c} dominant @subgroup {mainchain} dominant @balllist {mc N} color= sky radius= 0.15 master= {mainchain} master= {atoms} { n ser c 32 } P 31.129, -8.780, 23.018 { n gln c 33 } P 27.849, -7.615, 23.810 { n glu c 34 } P 27.716, -5.076, 22.534 { n ser c 35 } P 29.972, -4.992, 20.721 { n val c 36 } P 29.330, -7.058, 18.988 { n ala c 37 } P 27.039, -5.945, 18.001 { n gln c 44 } P 23.606, -1.995, 20.562 { n ser c 45 } P 21.178, -2.493, 22.002 { n gly c 46 } P 19.465, -3.460, 19.986 { n val c 47 } P 20.699, -5.848, 19.354 { n gly c 48 } P 20.598, -7.150, 21.791 { n ala c 49 } P 17.809, -7.487, 21.907 { n leu c 50 } P 17.356, -9.484, 19.981 { n phe c 51 } P 18.887, -11.623, 20.970 { n asn c 52 } P 17.492, -12.099, 23.273 @balllist {mc O} color= red radius= 0.15 master= {mainchain} master= {atoms} { o ser c 32 } P 29.098, -7.904, 21.993 { o gln c 33 } P 26.498, -6.031, 20.896 { o glu c 34 } P 28.749, -3.614, 19.460 { o ser c 35 } P 30.440, -5.996, 17.351 { o val c 36 } P 27.673, -6.863, 16.040 { o gly c 43 } P 22.303, -3.097, 19.117 { o gln c 44 } P 21.843, -4.651, 22.008 { o ser c 45 } P 18.391, -4.579, 21.619 { o gly c 46 } P 18.719, -6.647, 18.708 { o val c 47 } P 20.336, -9.042, 20.637 { o gly c 48 } P 18.221, -9.288, 23.182 { o ala c 49 } P 15.476, -10.075, 21.109 { o leu c 50 } P 17.201, -12.885, 20.173 { o phe c 51 } P 18.316, -14.178, 23.387 @vectorlist {mc} color= yellowtint master= {mainchain} { ca leu c 31 B21.87}P 32.862 -10.286 22.182 { c leu c 31 B23.24}32.037 -9.685 23.329 { o leu c 31 B21.37}32.189 -10.067 24.478 { c leu c 31 B23.24}P 32.037 -9.685 23.329 { n ser c 32 B22.32}31.129 -8.780 23.018 { ca ser c 32 B20.33}30.241 -8.200 24.018 { c ser c 32 B17.64}29.005 -7.899 23.216 { o ser c 32 B13.95}29.098 -7.904 21.993 { c ser c 32 B17.64}P 29.005 -7.899 23.216 { n gln c 33 B18.29}27.849 -7.615 23.810 { ca gln c 33 B16.85}26.698 -7.322 22.942 { c gln c 33 B18.92}26.961 -6.082 22.040 { o gln c 33 B15.33}26.498 -6.031 20.896 { c gln c 33 B18.92}P 26.961 -6.082 22.040 { n glu c 34 B20.59}27.716 -5.076 22.534 { ca glu c 34 B23.35}28.016 -3.880 21.708 { c glu c 34 B12.40}28.939 -4.165 20.531 { o glu c 34 B17.60}28.749 -3.614 19.460 { c glu c 34 B12.40}P 28.939 -4.165 20.531 { n ser c 35 B19.71}29.972 -4.992 20.721 { ca ser c 35 B24.27}30.893 -5.297 19.618 { c ser c 35 B24.01}30.199 -6.149 18.551 { o ser c 35 B24.39}30.440 -5.996 17.351 { c ser c 35 B24.01}P 30.199 -6.149 18.551 { n val c 36 B20.37}29.330 -7.058 18.988 { ca val c 36 B14.53}28.630 -7.847 18.012 { c val c 36 B17.30}27.738 -6.840 17.261 { o val c 36 B22.55}27.673 -6.863 16.040 { c val c 36 B17.30}P 27.738 -6.840 17.261 { n ala c 37 B14.63}27.039 -5.945 18.001 { ca ala c 37 B15.98}26.175 -4.943 17.367 { ca met c 42 B21.25}P 23.395 -1.989 14.625 { ca gly c 43 B17.85}P 23.128 -0.950 18.352 { c gly c 43 B17.63}22.979 -2.110 19.389 { o gly c 43 B17.79}22.303 -3.097 19.117 { c gly c 43 B17.63}P 22.979 -2.110 19.389 { n gln c 44 B14.54}23.606 -1.995 20.562 { ca gln c 44 B11.96}23.531 -3.017 21.584 { c gln c 44 B14.80}22.101 -3.467 21.889 { o gln c 44 B17.38}21.843 -4.651 22.008 { c gln c 44 B14.80}P 22.101 -3.467 21.889 { n ser c 45 B16.12}21.178 -2.493 22.002 { ca ser c 45 B12.77}19.747 -2.707 22.269 { c ser c 45 B12.97}19.147 -3.680 21.264 { o ser c 45 B17.01}18.391 -4.579 21.619 { c ser c 45 B12.97}P 19.147 -3.680 21.264 { n gly c 46 B11.51}19.465 -3.460 19.986 { ca gly c 46 B11.25}18.951 -4.288 18.914 { c gly c 46 B11.02}19.448 -5.703 18.980 { o gly c 46 B12.86}18.719 -6.647 18.708 { c gly c 46 B11.02}P 19.448 -5.703 18.980 { n val c 47 B12.94}20.699 -5.848 19.354 { ca val c 47 B11.11}21.299 -7.152 19.470 { c val c 47 B11.32}20.702 -7.872 20.689 { o val c 47 B12.24}20.336 -9.042 20.637 { c val c 47 B11.32}P 20.702 -7.872 20.689 { n gly c 48 B13.05}20.598 -7.150 21.791 { ca gly c 48 B12.23}20.028 -7.727 22.976 { c gly c 48 B16.48}18.605 -8.231 22.698 { o gly c 48 B16.06}18.221 -9.288 23.182 { c gly c 48 B16.48}P 18.605 -8.231 22.698 { n ala c 49 B10.62}17.809 -7.487 21.907 { ca ala c 49 B10.48}16.434 -7.923 21.594 { c ala c 49 B13.56}16.381 -9.268 20.878 { o ala c 49 B16.69}15.476 -10.075 21.109 { c ala c 49 B13.56}P 16.381 -9.268 20.878 { n leu c 50 B9.77}17.356 -9.484 19.981 { ca leu c 50 B8.80}17.434 -10.719 19.233 { c leu c 50 B14.40}17.830 -11.836 20.168 { o leu c 50 B15.79}17.201 -12.885 20.173 { c leu c 50 B14.40}P 17.830 -11.836 20.168 { n phe c 51 B13.63}18.887 -11.623 20.970 { ca phe c 51 B11.44}19.353 -12.658 21.903 { c phe c 51 B13.18}18.330 -13.049 22.911 { o phe c 51 B15.74}18.316 -14.178 23.387 { c phe c 51 B13.18}P 18.330 -13.049 22.911 { n asn c 52 B13.73}17.492 -12.099 23.273 { ca asn c 52 B14.86}16.488 -12.341 24.285 { c asn c 52 B13.48}15.079 -12.724 23.823 @vectorlist {mc H} color= gray master= {mainchain} master= {H's} { n ser c 32 B22.32}P 31.129 -8.780 23.018 { h ser c 32 B22.32}30.986 -8.432 22.091 { n gln c 33 B18.29}P 27.849 -7.615 23.810 { h gln c 33 B18.29}27.684 -7.581 24.796 { n glu c 34 B20.59}P 27.716 -5.076 22.534 { h glu c 34 B20.59}28.111 -5.063 23.452 { n ser c 35 B19.71}P 29.972 -4.992 20.721 { h ser c 35 B19.71}30.186 -5.444 21.587 { n val c 36 B20.37}P 29.330 -7.058 18.988 { h val c 36 B20.37}29.114 -7.248 19.946 { n ala c 37 B14.63}P 27.039 -5.945 18.001 { h ala c 37 B14.63}27.061 -5.904 19.000 { n gln c 44 B14.54}P 23.606 -1.995 20.562 { h gln c 44 B14.54}24.165 -1.205 20.815 { n ser c 45 B16.12}P 21.178 -2.493 22.002 { h ser c 45 B16.12}21.413 -1.525 21.909 { n gly c 46 B11.51}P 19.465 -3.460 19.986 { h gly c 46 B11.51}20.069 -2.723 19.682 { n val c 47 B12.94}P 20.699 -5.848 19.354 { h val c 47 B12.94}21.309 -5.088 19.579 { n gly c 48 B13.05}P 20.598 -7.150 21.791 { h gly c 48 B13.05}20.892 -6.198 21.880 { n ala c 49 B10.62}P 17.809 -7.487 21.907 { h ala c 49 B10.62}18.079 -6.619 21.490 { n leu c 50 B9.77}P 17.356 -9.484 19.981 { h leu c 50 B9.77}18.079 -8.826 19.771 { n phe c 51 B13.63}P 18.887 -11.623 20.970 { h phe c 51 B13.63}19.416 -10.774 20.990 { n asn c 52 B13.73}P 17.492 -12.099 23.273 { h asn c 52 B13.73}17.487 -11.175 22.890 @vectorlist {backbone} color= yellowtint master= {mainchain} { ca leu c 18 B9.95}P 21.707 -18.335 19.861 { ca lys c 19 B14.50}22.331 -16.668 23.275 { ca ala c 20 B16.21}23.766 -19.932 24.693 { ca ile c 21 B14.09}26.261 -19.936 21.914 { ca tyr c 22 B10.46}27.215 -16.330 22.519 { ca glu c 23 B18.19}27.577 -17.007 26.212 { ca lys c 24 B17.07}29.836 -19.793 25.617 { ca lys c 25 B13.47}32.147 -18.241 22.986 { ca lys c 26 B16.41}32.206 -14.738 24.121 { ca asn c 27 B27.31}35.418 -14.929 25.995 { ca glu c 28 B30.26}37.464 -16.749 23.406 { ca leu c 29 B15.77}36.211 -14.480 20.589 { ca gly c 30 B21.78}36.501 -11.282 22.840 { ca leu c 31 B21.87}32.862 -10.286 22.182 { ca ser c 35 B24.27}P 30.893 -5.297 19.618 { ca ala c 37 B15.98}P 26.175 -4.943 17.367 { ca asp c 38 B26.79}29.082 -2.780 15.864 { ca lys c 39 B26.71}29.907 -5.668 13.599 { ca met c 40 B22.43}26.317 -5.987 12.313 { ca gly c 41 B26.62}25.856 -2.329 11.940 { ca met c 42 B21.25}23.395 -1.989 14.625 { ca gly c 43 B17.85}23.128 -0.950 18.352 @subgroup {sidechain} @balllist {sc N} color= sky radius= 0.15 master= {sidechain} master= {atoms} { nz lys c 19 } P 20.152, -13.256, 28.120 { nz lys c 26 } P 30.510, -11.583, 28.503 { ne2 gln c 33 } P 23.228, -9.480, 25.725 { ne2 gln c 44 } P 22.391, -4.512, 25.155 { nd2 asn c 52 } P 18.570, -10.162, 25.998 @balllist {sc O} color= red radius= 0.15 master= {sidechain} master= {atoms} { oh tyr c 22 } P 28.197, -10.323, 24.935 { oe1 glu c 23 } P 26.933, -14.810, 28.588 { oe2 glu c 23 } P 24.974, -13.944, 28.014 { og ser c 32 } P 30.863, -5.907, 23.659 { oe1 gln c 33 } P 22.961, -7.339, 25.043 { oe1 glu c 34 } P 28.790, -0.279, 22.866 { oe2 glu c 34 } P 27.658, -0.193, 24.792 { oe1 gln c 44 } P 22.649, -2.269, 25.082 { og ser c 45 } P 18.810, -0.676, 23.232 { od1 asn c 52 } P 18.082, -12.179, 26.892 @vectorlist {sc} color= gold master= {sidechain} { ca lys c 19 B14.50}P 22.331 -16.668 23.275 { cb lys c 19 B13.97}21.310 -16.040 24.196 { cg lys c 19 B12.18}21.886 -15.231 25.334 { cd lys c 19 B14.67}20.777 -14.755 26.247 { ce lys c 19 B18.33}21.218 -13.667 27.197 { nz lys c 19 B14.41}20.152 -13.256 28.120 { ca tyr c 22 B10.46}P 27.215 -16.330 22.519 { cb tyr c 22 B14.35}26.222 -15.125 22.434 { cg tyr c 22 B18.49}26.739 -13.835 23.083 { cd1 tyr c 22 B17.20}27.630 -12.969 22.433 { ce1 tyr c 22 B16.45}28.118 -11.784 23.005 { cz tyr c 22 B15.16}27.743 -11.469 24.314 { oh tyr c 22 B20.08}28.197 -10.323 24.935 { cg tyr c 22 B18.49}P 26.739 -13.835 23.083 { cd2 tyr c 22 B18.67}26.368 -13.482 24.376 { ce2 tyr c 22 B12.47}26.858 -12.314 24.974 { cz tyr c 22 B15.16}27.743 -11.469 24.314 { ca glu c 23 B18.19}P 27.577 -17.007 26.212 { cb glu c 23 B25.06}26.498 -17.320 27.299 { cg glu c 23 B26.30}25.362 -16.262 27.508 { cd glu c 23 B28.43}25.736 -14.887 28.063 { oe1 glu c 23 B28.50}26.933 -14.810 28.588 { cd glu c 23 B28.43}P 25.736 -14.887 28.063 { oe2 glu c 23 B34.64}24.974 -13.944 28.014 { ca lys c 26 B16.41}P 32.206 -14.738 24.121 { cb lys c 26 B18.84}31.193 -13.964 24.912 { cg lys c 26 B19.31}31.195 -14.392 26.361 { cd lys c 26 B25.56}30.172 -13.655 27.182 { ce lys c 26 B35.68}30.415 -12.168 27.160 { nz lys c 26 B42.31}30.510 -11.583 28.503 { ca ser c 32 B20.33}P 30.241 -8.200 24.018 { cb ser c 32 B18.24}30.777 -6.916 24.645 { og ser c 32 B19.61}30.863 -5.907 23.659 { ca gln c 33 B16.85}P 26.698 -7.322 22.942 { cb gln c 33 B12.41}25.366 -7.198 23.690 { cg gln c 33 B12.08}24.888 -8.533 24.262 { cd gln c 33 B15.21}23.607 -8.399 25.049 { oe1 gln c 33 B17.84}22.961 -7.339 25.043 { cd gln c 33 B15.21}P 23.607 -8.399 25.049 { ne2 gln c 33 B14.49}23.228 -9.480 25.725 { ca glu c 34 B23.35}P 28.016 -3.880 21.708 { cb glu c 34 B37.32}28.727 -2.803 22.493 { cg glu c 34 B51.69}27.896 -2.285 23.646 { cd glu c 34 B64.28}28.089 -0.817 23.839 { oe1 glu c 34 B64.36}28.790 -0.279 22.866 { cd glu c 34 B64.28}P 28.089 -0.817 23.839 { oe2 glu c 34 B64.16}27.658 -0.193 24.792 { ca gln c 44 B11.96}P 23.531 -3.017 21.584 { cb gln c 44 B11.98}24.216 -2.519 22.839 { cg gln c 44 B14.32}24.214 -3.593 23.898 { cd gln c 44 B21.15}23.017 -3.410 24.766 { oe1 gln c 44 B23.20}22.649 -2.269 25.082 { cd gln c 44 B21.15}P 23.017 -3.410 24.766 { ne2 gln c 44 B20.33}22.391 -4.512 25.155 { ca ser c 45 B12.77}P 19.747 -2.707 22.269 { cb ser c 45 B16.47}18.988 -1.398 22.040 { og ser c 45 B28.64}18.810 -0.676 23.232 { ca ala c 49 B10.48}P 16.434 -7.923 21.594 { cb ala c 49 B12.71}15.720 -6.889 20.751 { ca phe c 51 B11.44}P 19.353 -12.658 21.903 { cb phe c 51 B12.71}20.569 -12.218 22.739 { cg phe c 51 B18.49}21.877 -12.204 21.976 { cd1 phe c 51 B20.42}22.010 -12.740 20.698 { ce1 phe c 51 B20.86}23.241 -12.714 20.022 { cz phe c 51 B15.82}24.385 -12.127 20.578 { cg phe c 51 B18.49}P 21.877 -12.204 21.976 { cd2 phe c 51 B20.67}23.037 -11.642 22.524 { ce2 phe c 51 B19.06}24.269 -11.594 21.855 { cz phe c 51 B15.82}24.385 -12.127 20.578 { ca asn c 52 B14.86}P 16.488 -12.341 24.285 { cb asn c 52 B15.16}16.500 -11.244 25.355 { cg asn c 52 B15.35}17.791 -11.231 26.149 { od1 asn c 52 B20.07}18.082 -12.179 26.892 { cg asn c 52 B15.35}P 17.791 -11.231 26.149 { nd2 asn c 52 B17.19}18.570 -10.162 25.998 @vectorlist {sc H} color= gray master= {H's} master= {sidechain} { nz lys c 19 B14.41}P 20.152 -13.256 28.120 {1hz lys c 19 B14.41}20.455 -12.462 28.647 { nz lys c 19 B14.41}P 20.152 -13.256 28.120 {2hz lys c 19 B14.41}19.333 -13.017 27.599 { nz lys c 19 B14.41}P 20.152 -13.256 28.120 {3hz lys c 19 B14.41}19.942 -14.009 28.744 { oh tyr c 22 B20.08}P 28.197 -10.323 24.935 { hh tyr c 22 B20.08}27.703 -10.191 25.794 { nz lys c 26 B42.31}P 30.510 -11.583 28.503 {1hz lys c 26 B42.31}30.937 -10.681 28.445 { nz lys c 26 B42.31}P 30.510 -11.583 28.503 {2hz lys c 26 B42.31}29.594 -11.493 28.894 { nz lys c 26 B42.31}P 30.510 -11.583 28.503 {3hz lys c 26 B42.31}31.064 -12.176 29.087 { og ser c 32 B19.61}P 30.863 -5.907 23.659 { hg ser c 32 B19.61}31.213 -5.066 24.072 { ne2 gln c 33 B14.49}P 23.228 -9.480 25.725 {1he2 gln c 33 B14.49}22.385 -9.463 26.263 { ne2 gln c 33 B14.49}P 23.228 -9.480 25.725 {2he2 gln c 33 B14.49}23.786 -10.309 25.696 { ne2 gln c 44 B20.33}P 22.391 -4.512 25.155 {1he2 gln c 44 B20.33}21.578 -4.447 25.733 { ne2 gln c 44 B20.33}P 22.391 -4.512 25.155 {2he2 gln c 44 B20.33}22.732 -5.408 24.870 { og ser c 45 B28.64}P 18.810 -0.676 23.232 { hg ser c 45 B28.64}18.166 0.073 23.076 { nd2 asn c 52 B17.19}P 18.570 -10.162 25.998 {1hd2 asn c 52 B17.19}19.434 -10.099 26.497 { nd2 asn c 52 B17.19}P 18.570 -10.162 25.998 {2hd2 asn c 52 B17.19}18.291 -9.422 25.386 @subgroup {instr} @labellist {instr} color= white screen {Draw the protein-DNA H-bonds} -180 180 100 @group {waters} dominant off @balllist {wat} radius= 0.2 color= peach {o hoh 38} 20.343 -7.416 26.211 {o hoh 61} 27.778 -4.942 25.658 @group {Hb dots} recessiveon off @subgroup {prot/dna} dominant @dotlist {x} color= sky master= {H-bonds} {1HZ LYS19 } greentint 20.260 -11.482 28.690 {"} greentint 20.510 -11.464 28.691 {"} greentint 20.756 -11.509 28.689 {"} greentint 20.984 -11.614 28.684 {"} greentint 19.972 -11.638 28.942 {"} greentint 20.205 -11.541 28.946 {"} greentint 20.455 -11.508 28.948 {"} greentint 20.705 -11.541 28.946 {"} greentint 20.938 -11.638 28.942 {"} greentint 21.138 -11.791 28.935 {"} greentint 20.015 -11.739 29.179 {"} greentint 20.254 -11.642 29.183 {"} greentint 20.511 -11.620 29.184 {"} greentint 20.764 -11.675 29.182 {"} greentint 20.988 -11.802 29.176 {"} greentint 21.166 -11.990 29.168 {"} greentint 20.029 -11.929 29.378 {"} greentint 20.261 -11.813 29.383 {"} greentint 20.520 -11.789 29.384 {"} greentint 20.770 -11.860 29.381 {"} greentint 20.978 -12.017 29.374 {"} greentint 20.198 -12.071 29.531 {"} greentint 20.447 -12.000 29.534 {"} greentint 20.698 -12.063 29.531 { H GLN33 } greentint 28.343 -7.867 25.491 {"} greentint 28.207 -8.088 25.482 {"} greentint 27.258 -8.176 25.478 {"} greentint 27.083 -7.984 25.486 {"} greentint 26.989 -7.742 25.497 {"} greentint 26.989 -7.482 25.508 {"} greentint 27.083 -7.240 25.519 {"} greentint 27.258 -7.048 25.527 {"} greentint 27.490 -6.932 25.532 {"} greentint 27.749 -6.908 25.533 {"} greentint 27.999 -6.979 25.530 {"} greentint 28.207 -7.136 25.523 {"} greentint 28.343 -7.357 25.514 {"} greentint 28.391 -7.612 25.502 {"} greentint 28.121 -7.861 25.651 {"} greentint 27.941 -8.047 25.642 {"} greentint 27.692 -8.118 25.639 {"} greentint 27.441 -8.055 25.642 {"} greentint 27.255 -7.876 25.650 {"} greentint 27.184 -7.627 25.661 {"} greentint 27.247 -7.376 25.672 {"} greentint 27.427 -7.190 25.680 {"} greentint 27.676 -7.119 25.683 {"} greentint 27.927 -7.182 25.680 {"} greentint 28.113 -7.362 25.672 {"} greentint 28.184 -7.610 25.662 {"} greentint 27.813 -7.847 25.751 {"} greentint 27.555 -7.847 25.751 {"} greentint 27.425 -7.623 25.761 {"} greentint 27.555 -7.399 25.771 {"} greentint 27.813 -7.399 25.771 {"} greentint 27.943 -7.623 25.761 {"} greentint 27.684 -7.625 25.795 {1HE2 GLN33 } greentint 21.548 -9.957 26.501 {"} greentint 21.452 -9.724 26.511 {"} greentint 21.419 -9.474 26.522 {"} greentint 21.452 -9.225 26.532 {"} greentint 21.548 -8.992 26.543 {"} greentint 21.756 -10.079 26.737 {"} greentint 21.608 -9.868 26.746 {"} greentint 21.530 -9.622 26.757 {"} greentint 21.527 -9.364 26.768 {"} greentint 21.601 -9.117 26.779 {"} greentint 21.745 -8.902 26.788 {"} greentint 21.959 -10.058 26.945 {"} greentint 21.784 -9.866 26.953 {"} greentint 21.690 -9.624 26.964 {"} greentint 21.690 -9.364 26.975 {"} greentint 21.784 -9.122 26.986 {"} greentint 21.959 -8.930 26.994 {"} greentint 22.142 -9.937 27.109 {"} greentint 21.956 -9.758 27.117 {"} greentint 21.885 -9.509 27.128 {"} greentint 21.948 -9.258 27.139 {"} greentint 22.128 -9.072 27.147 {"} greentint 22.126 -9.505 27.228 {1HE2 GLN44 } greentint 20.883 -4.348 26.445 {"} greentint 20.977 -4.106 26.456 {"} greentint 21.152 -3.914 26.464 {"} greentint 21.078 -4.493 26.598 {"} greentint 21.141 -4.242 26.609 {"} greentint 21.321 -4.056 26.617 {"} greentint 21.319 -4.489 26.698 {"} greentint 21.449 -4.265 26.708 {1HD2 ASN52 } greentint 20.157 -9.409 26.527 {"} greentint 20.306 -9.611 26.518 {"} greentint 20.401 -9.843 26.508 {"} greentint 20.434 -10.091 26.497 {"} greentint 20.367 -10.360 26.745 {"} greentint 19.917 -9.275 26.792 {"} greentint 20.117 -9.428 26.785 {"} greentint 20.271 -9.628 26.777 {"} greentint 20.367 -9.861 26.766 {"} greentint 20.400 -10.110 26.756 {"} greentint 20.264 -10.368 26.986 {"} greentint 19.743 -9.312 27.032 {"} greentint 19.967 -9.439 27.026 {"} greentint 20.145 -9.627 27.018 {"} greentint 20.259 -9.858 27.008 {"} greentint 20.300 -10.113 26.997 {"} greentint 20.093 -10.385 27.192 {"} greentint 19.749 -9.497 27.231 {"} greentint 19.957 -9.654 27.224 {"} greentint 20.093 -9.875 27.215 {"} greentint 20.141 -10.130 27.203 {"} greentint 19.871 -10.379 27.352 {"} greentint 19.677 -9.700 27.381 {"} greentint 19.863 -9.880 27.373 {"} greentint 19.934 -10.128 27.363 {"} greentint 19.563 -9.917 27.472 {"} greentint 19.693 -10.141 27.462 @dotlist {x} color= red master= {H-bonds} { HH TYR22 } greentint 26.919 -9.845 26.310 {"} greentint 27.063 -9.630 26.319 {"} greentint 27.263 -9.468 26.326 {"} greentint 27.502 -9.371 26.330 {"} greentint 27.759 -9.349 26.331 {"} greentint 28.012 -9.404 26.329 {"} greentint 28.236 -9.531 26.323 {"} greentint 27.102 -10.594 26.484 {"} greentint 27.008 -10.352 26.495 {"} greentint 27.008 -10.092 26.506 {"} greentint 27.102 -9.850 26.517 {"} greentint 27.277 -9.658 26.525 {"} greentint 27.509 -9.542 26.530 {"} greentint 27.768 -9.518 26.531 {"} greentint 28.018 -9.589 26.528 {"} greentint 28.226 -9.746 26.521 {"} greentint 28.362 -9.967 26.512 {"} greentint 28.410 -10.222 26.500 {"} greentint 28.140 -10.471 26.649 {"} greentint 27.960 -10.657 26.640 {"} greentint 27.711 -10.728 26.637 {"} greentint 27.460 -10.665 26.640 {"} greentint 27.274 -10.486 26.648 {"} greentint 27.203 -10.237 26.659 {"} greentint 27.266 -9.986 26.670 {"} greentint 27.446 -9.800 26.678 {"} greentint 27.695 -9.729 26.681 {"} greentint 27.946 -9.792 26.678 {"} greentint 28.132 -9.972 26.670 {"} greentint 28.203 -10.220 26.660 {"} greentint 27.832 -10.457 26.749 {"} greentint 27.574 -10.457 26.749 {"} greentint 27.444 -10.233 26.759 {"} greentint 27.832 -10.009 26.769 {"} greentint 27.962 -10.233 26.759 {"} greentint 27.703 -10.235 26.793 { OE1 GLN44 } greentint 21.693 -1.487 25.741 {"} greentint 21.599 -1.924 25.942 {"} greentint 21.716 -1.692 25.952 {"} greentint 21.882 -1.494 25.960 {"} greentint 22.090 -1.339 25.967 {"} greentint 21.714 -2.194 26.121 {"} greentint 21.781 -1.946 26.132 {"} greentint 21.912 -1.726 26.141 {"} greentint 22.098 -1.549 26.149 {"} greentint 22.325 -1.429 26.154 {"} greentint 21.956 -2.069 26.282 {"} greentint 22.084 -1.848 26.292 {"} greentint 22.280 -1.683 26.299 {"} greentint 22.207 -2.081 26.397 { HG SER45 } greentint 17.471 -0.026 22.364 {"} greentint 17.471 0.234 22.375 {"} greentint 17.565 0.476 22.386 {"} greentint 17.740 0.668 22.394 {"} greentint 17.389 -0.288 22.560 {"} greentint 17.311 -0.042 22.570 {"} greentint 17.308 0.216 22.582 {"} greentint 17.382 0.463 22.593 {"} greentint 17.526 0.677 22.602 {"} greentint 17.726 0.840 22.609 {"} greentint 17.329 -0.398 22.796 {"} greentint 17.233 -0.165 22.807 {"} greentint 17.200 0.084 22.817 {"} greentint 17.329 0.567 22.838 {"} greentint 17.483 0.767 22.847 {"} greentint 17.683 0.920 22.854 {"} greentint 17.916 1.016 22.858 {"} greentint 17.362 -0.521 23.050 {"} greentint 17.239 -0.302 23.060 {"} greentint 17.175 -0.060 23.070 {"} greentint 17.352 0.654 23.101 {"} greentint 17.522 0.838 23.109 {"} greentint 17.733 0.974 23.115 {"} greentint 17.971 1.053 23.119 {"} greentint 17.329 -0.421 23.314 {"} greentint 17.233 -0.188 23.324 {"} greentint 17.200 0.062 23.335 {"} greentint 17.233 0.311 23.345 {"} greentint 17.329 0.544 23.356 {"} greentint 17.483 0.744 23.364 {"} greentint 17.683 0.897 23.371 {"} greentint 17.916 0.994 23.375 {"} greentint 17.389 -0.332 23.559 {"} greentint 17.311 -0.086 23.570 {"} greentint 17.308 0.172 23.581 {"} greentint 17.382 0.419 23.592 {"} greentint 17.526 0.634 23.601 {"} greentint 17.726 0.796 23.608 {"} greentint 17.471 -0.088 23.777 {"} greentint 17.471 0.172 23.788 {"} greentint 17.565 0.414 23.799 @dotlist {x} color= white master= {H-bonds} { C6 G36 } greentint 18.000 1.014 22.960 {"} greentint 18.004 1.010 23.222 @dotlist {x} color= sky master= {H-bonds} { N7 A4 } greentint 20.859 -4.081 26.280 {"} greentint 21.119 -4.079 26.383 {"} greentint 20.993 -4.302 26.374 {"} greentint 21.161 -3.826 26.394 {"} greentint 21.340 -4.097 26.523 {"} greentint 21.236 -4.335 26.512 {"} greentint 21.073 -4.536 26.504 {"} greentint 21.446 -4.352 26.685 {"} greentint 21.302 -4.574 26.676 {2H6 A4 } greentint 21.649 -1.628 25.742 {"} greentint 21.779 -1.404 25.752 {"} greentint 21.957 -1.651 25.841 {"} greentint 21.777 -1.837 25.833 {"} greentint 21.528 -1.908 25.830 {"} greentint 22.020 -1.400 25.852 {"} greentint 22.179 -1.670 25.999 {"} greentint 22.043 -1.891 25.990 {"} greentint 21.835 -2.048 25.983 {"} greentint 22.227 -1.415 26.011 {"} greentint 22.350 -1.671 26.207 {"} greentint 22.240 -1.905 26.196 {"} greentint 22.066 -2.095 26.188 {"} greentint 21.844 -2.227 26.182 @dotlist {x} color= red master= {H-bonds} { O1P T3 } greentint 27.688 -7.367 25.179 {"} greentint 27.824 -7.586 25.194 {"} greentint 27.567 -7.595 25.193 {"} greentint 27.431 -7.377 25.203 {"} greentint 27.552 -7.150 25.213 {"} greentint 27.809 -7.141 25.213 {"} greentint 27.945 -7.359 25.204 {"} greentint 28.126 -7.624 25.263 {"} greentint 27.941 -7.809 25.255 {"} greentint 27.688 -7.876 25.252 {"} greentint 27.435 -7.809 25.255 {"} greentint 27.250 -7.624 25.263 {"} greentint 27.182 -7.371 25.274 {"} greentint 27.250 -7.118 25.285 {"} greentint 27.435 -6.933 25.293 {"} greentint 27.688 -6.866 25.296 {"} greentint 27.941 -6.933 25.293 {"} greentint 28.126 -7.118 25.285 {"} greentint 28.194 -7.371 25.274 {"} greentint 28.383 -7.620 25.378 {"} greentint 28.258 -7.843 25.368 {"} greentint 28.064 -8.010 25.361 {"} greentint 27.824 -8.100 25.357 {"} greentint 27.568 -8.103 25.357 {"} greentint 27.327 -8.018 25.361 {"} greentint 27.129 -7.856 25.368 {"} greentint 26.998 -7.636 25.377 {"} greentint 26.951 -7.384 25.388 {"} greentint 28.425 -7.368 25.389 { O2P T3 } greentint 27.555 -9.769 26.099 {"} greentint 27.434 -9.997 26.113 {"} greentint 27.298 -9.779 26.123 {"} greentint 27.419 -9.552 26.133 {"} greentint 27.676 -9.543 26.133 {"} greentint 27.812 -9.761 26.124 {"} greentint 27.993 -10.026 26.183 {"} greentint 27.555 -10.278 26.172 {"} greentint 27.302 -10.211 26.175 {"} greentint 27.117 -10.026 26.183 {"} greentint 27.049 -9.773 26.194 {"} greentint 27.117 -9.520 26.205 {"} greentint 27.808 -9.335 26.213 {"} greentint 27.993 -9.520 26.205 {"} greentint 28.061 -9.773 26.194 {"} greentint 28.250 -10.022 26.298 {"} greentint 28.125 -10.245 26.288 {"} greentint 27.931 -10.412 26.281 {"} greentint 27.691 -10.502 26.277 {"} greentint 27.435 -10.505 26.277 {"} greentint 27.194 -10.420 26.281 {"} greentint 26.996 -10.258 26.288 {"} greentint 26.865 -10.038 26.297 {"} greentint 28.292 -9.770 26.309 {"} greentint 28.361 -10.274 26.443 {"} greentint 28.199 -10.474 26.434 {"} greentint 27.989 -10.622 26.428 {"} greentint 27.747 -10.707 26.424 {"} greentint 27.491 -10.725 26.423 {"} greentint 27.239 -10.673 26.426 { O1P A4 } greentint 21.403 -9.509 26.287 {"} greentint 21.592 -9.758 26.391 {"} greentint 20.338 -9.994 26.381 {"} greentint 20.207 -9.774 26.390 {"} greentint 20.160 -9.522 26.401 {"} greentint 21.587 -9.255 26.413 {"} greentint 21.634 -9.506 26.402 {"} greentint 21.805 -9.775 26.546 {"} greentint 21.703 -10.010 26.536 {"} greentint 20.353 -10.291 26.524 {"} greentint 20.165 -10.116 26.531 {"} greentint 20.032 -9.896 26.541 {"} greentint 19.963 -9.649 26.552 {"} greentint 19.963 -9.393 26.563 {"} greentint 21.703 -9.031 26.579 {"} greentint 21.805 -9.267 26.568 {"} greentint 21.840 -9.521 26.557 {"} greentint 21.986 -9.779 26.737 {"} greentint 21.899 -10.023 26.727 {"} greentint 20.136 -10.347 26.712 {"} greentint 19.968 -10.149 26.721 {"} greentint 19.850 -9.919 26.731 {"} greentint 19.788 -9.667 26.742 {"} greentint 19.786 -9.408 26.753 {"} greentint 21.892 -9.021 26.770 {"} greentint 21.982 -9.264 26.760 {"} greentint 22.014 -9.521 26.748 {"} greentint 22.125 -9.791 26.957 {"} greentint 22.049 -10.033 26.946 {"} greentint 20.130 -10.529 26.924 {"} greentint 19.946 -10.354 26.932 {"} greentint 19.801 -10.146 26.941 {"} greentint 19.701 -9.914 26.951 {"} greentint 19.650 -9.665 26.962 {"} greentint 19.650 -9.412 26.973 {"} greentint 22.049 -9.045 26.989 {"} greentint 22.125 -9.287 26.979 {"} greentint 22.150 -9.539 26.968 {"} greentint 19.844 -10.387 27.172 {"} greentint 19.704 -10.173 27.181 {"} greentint 19.607 -9.936 27.191 {"} greentint 19.557 -9.685 27.202 {"} greentint 19.556 -9.430 27.213 {"} greentint 22.218 -9.287 27.220 {"} greentint 22.244 -9.541 27.209 {"} greentint 19.712 -10.294 27.430 {"} greentint 19.597 -10.063 27.440 {"} greentint 19.527 -9.816 27.451 { O2P A4 } greentint 20.797 -11.546 28.554 {"} greentint 20.541 -11.549 28.554 {"} greentint 20.853 -11.751 28.701 {"} greentint 20.597 -11.769 28.700 {"} greentint 20.345 -11.717 28.703 {"} greentint 20.117 -11.599 28.708 {"} greentint 21.111 -11.859 28.888 {"} greentint 20.863 -11.935 28.884 {"} greentint 20.604 -11.952 28.883 {"} greentint 20.349 -11.909 28.885 {"} greentint 20.110 -11.808 28.890 {"} greentint 21.096 -12.021 29.100 {"} greentint 20.851 -12.084 29.098 {"} greentint 20.598 -12.097 29.097 {"} greentint 20.347 -12.059 29.099 {"} greentint 20.109 -11.971 29.102 {"} greentint 19.894 -11.837 29.108 {"} greentint 20.986 -12.163 29.335 {"} greentint 20.733 -12.201 29.334 {"} greentint 20.477 -12.190 29.334 {"} greentint 20.228 -12.131 29.337 {"} greentint 19.995 -12.026 29.341 {"} greentint 20.532 -12.255 29.585 {"} greentint 20.280 -12.208 29.587 { O6 G36 } greentint 17.744 0.300 22.414 {"} greentint 17.668 0.058 22.403 {"} greentint 17.545 -0.163 22.393 {"} greentint 17.769 0.552 22.425 {"} greentint 17.840 0.295 22.654 {"} greentint 17.769 0.049 22.644 {"} greentint 17.653 -0.179 22.634 {"} greentint 17.496 -0.381 22.625 {"} greentint 17.837 0.804 22.677 {"} greentint 17.863 0.550 22.666 {"} greentint 17.701 -0.203 22.887 {"} greentint 17.546 -0.408 22.878 {"} greentint 17.886 0.787 22.930 {"} greentint 17.910 0.531 22.919 {"} greentint 17.706 -0.207 23.145 {"} greentint 17.552 -0.413 23.136 {"} greentint 17.885 0.783 23.189 {"} greentint 17.910 0.528 23.177 {"} greentint 17.838 0.254 23.420 {"} greentint 17.766 0.008 23.409 {"} greentint 17.649 -0.219 23.399 {"} greentint 17.491 -0.420 23.390 {"} greentint 17.838 0.763 23.442 {"} greentint 17.863 0.508 23.431 {"} greentint 17.745 0.254 23.661 {"} greentint 17.671 0.011 23.650 {"} greentint 17.549 -0.211 23.641 {"} greentint 17.769 0.506 23.672 {"} greentint 17.603 0.231 23.880 @subgroup {thru H2O} dominant @dotlist {x} color=white master={H-bonds} { C8 A4 }greentint 20.302,-5.691,26.875 {"}greentint 20.064,-5.789,26.871 {"}greentint 19.809,-5.823,26.869 {"}greentint 20.374,-5.892,27.030 {"}greentint 20.135,-5.989,27.025 {"}greentint 19.882,-6.032,27.024 {"}greentint 19.625,-6.020,27.024 {"}greentint 20.603,-5.967,27.218 {"}greentint 19.614,-6.206,27.208 @dotlist {x} color=sky master={H-bonds} { H GLU34 }greentint 27.611,-5.109,24.317 {"}greentint 27.674,-4.858,24.328 {"}greentint 27.854,-4.672,24.336 {"}greentint 28.240,-5.329,24.407 {"}greentint 27.982,-5.329,24.407 {"}greentint 27.852,-5.105,24.417 {"}greentint 27.982,-4.881,24.427 {"}greentint 28.240,-4.881,24.427 {"}greentint 28.370,-5.105,24.417 {"}greentint 28.111,-5.107,24.451 @dotlist {x} color=red master={H-bonds} { O1P T3 }greentint 27.372,-6.495,25.583 {"}greentint 27.624,-6.443,25.585 {"}greentint 27.880,-6.460,25.585 {"}greentint 28.122,-6.546,25.581 {"}greentint 27.122,-6.429,25.777 {"}greentint 27.360,-6.324,25.782 {"}greentint 27.615,-6.277,25.784 {"}greentint 27.874,-6.291,25.783 {"}greentint 28.123,-6.363,25.780 {"}greentint 28.349,-6.491,25.774 {"}greentint 27.136,-6.277,26.004 {"}greentint 27.374,-6.189,26.007 {"}greentint 27.625,-6.150,26.009 {"}greentint 27.878,-6.163,26.009 {"}greentint 28.123,-6.227,26.006 {"}greentint 28.351,-6.338,26.001 {"}greentint 27.008,-6.250,26.246 {"}greentint 27.240,-6.143,26.251 {"}greentint 27.488,-6.081,26.253 {"}greentint 27.744,-6.067,26.254 {"}greentint 27.998,-6.102,26.252 {"}greentint 28.240,-6.184,26.249 {"}greentint 28.462,-6.311,26.243 {"}greentint 27.067,-6.176,26.503 {"}greentint 27.307,-6.083,26.507 {"}greentint 27.559,-6.036,26.509 {"}greentint 27.817,-6.036,26.509 {"}greentint 28.069,-6.083,26.507 {"}greentint 28.309,-6.176,26.503 {"}greentint 27.299,-6.096,26.765 {"}greentint 27.551,-6.048,26.768 {"}greentint 27.808,-6.046,26.768 {"}greentint 28.062,-6.092,26.766 { O1P A4 }greentint 20.521,-8.881,26.429 {"}greentint 20.761,-8.790,26.433 {"}greentint 21.017,-8.788,26.434 {"}greentint 20.165,-8.926,26.583 {"}greentint 20.353,-8.751,26.591 {"}greentint 20.581,-8.633,26.596 {"}greentint 20.833,-8.581,26.598 {"}greentint 21.089,-8.598,26.598 {"}greentint 20.124,-8.723,26.783 {"}greentint 20.331,-8.567,26.790 {"}greentint 20.569,-8.462,26.795 {"}greentint 20.824,-8.415,26.797 {"}greentint 21.083,-8.429,26.796 {"}greentint 21.332,-8.501,26.793 {"}greentint 19.946,-8.723,27.003 {"}greentint 20.130,-8.549,27.011 {"}greentint 20.345,-8.415,27.017 {"}greentint 20.583,-8.327,27.020 {"}greentint 20.834,-8.288,27.022 {"}greentint 21.087,-8.301,27.022 {"}greentint 21.332,-8.365,27.019 {"}greentint 20.009,-8.538,27.252 {"}greentint 20.217,-8.388,27.259 {"}greentint 20.449,-8.281,27.264 {"}greentint 20.697,-8.219,27.266 {"}greentint 20.953,-8.205,27.267 {"}greentint 21.207,-8.240,27.265 {"}greentint 20.276,-8.314,27.516 {"}greentint 20.516,-8.221,27.520 {"}greentint 20.768,-8.174,27.522 { OE1 GLN33 }greentint 21.591,-7.589,24.903 {"}greentint 21.567,-7.333,24.914 {"}greentint 21.591,-7.077,24.925 {"}greentint 21.664,-7.855,25.150 {"}greentint 21.592,-7.609,25.161 {"}greentint 21.567,-7.353,25.172 {"}greentint 21.589,-7.097,25.183 {"}greentint 21.658,-6.849,25.194 {"}greentint 21.764,-7.972,25.399 {"}greentint 21.669,-7.735,25.409 {"}greentint 21.621,-7.484,25.420 {"}greentint 21.621,-7.228,25.431 {"}greentint 21.669,-6.977,25.442 {"}greentint 21.764,-6.739,25.453 {"}greentint 21.869,-7.981,25.640 {"}greentint 21.768,-7.749,25.650 {"}greentint 21.715,-7.501,25.661 {"}greentint 21.713,-7.248,25.672 {"}greentint 21.763,-6.999,25.682 {"}greentint 21.861,-6.766,25.693 {"}greentint 22.028,-7.989,25.859 {"}greentint 21.911,-7.758,25.869 {"}greentint 21.851,-7.505,25.880 {"}greentint 21.851,-7.246,25.892 {"}greentint 21.911,-6.994,25.903 {"}greentint 22.099,-7.767,26.060 {"}greentint 22.028,-7.521,26.071 {"}greentint 22.026,-7.264,26.082 {"}greentint 22.093,-7.016,26.093 @dotlist {x} color=red master={H-bonds} { H? HOH38 }greentint 20.766,-9.006,26.342 {"}greentint 21.250,-8.764,26.611 {"}greentint 21.058,-8.925,26.604 {"}greentint 20.832,-9.033,26.599 {"}greentint 20.586,-9.082,26.597 {"}greentint 20.336,-9.068,26.598 {"}greentint 20.097,-8.993,26.601 {"}greentint 21.352,-8.579,26.878 {"}greentint 21.199,-8.779,26.870 {"}greentint 20.999,-8.933,26.863 {"}greentint 20.766,-9.029,26.859 {"}greentint 20.516,-9.062,26.857 {"}greentint 20.266,-9.029,26.859 {"}greentint 20.033,-8.933,26.863 {"}greentint 21.345,-8.355,27.130 {"}greentint 21.236,-8.588,27.119 {"}greentint 21.062,-8.779,27.111 {"}greentint 20.840,-8.910,27.105 {"}greentint 20.588,-8.970,27.103 {"}greentint 20.331,-8.953,27.103 {"}greentint 20.090,-8.861,27.107 {"}greentint 21.175,-8.372,27.336 {"}greentint 21.038,-8.592,27.326 {"}greentint 20.831,-8.749,27.320 {"}greentint 20.581,-8.820,27.317 {"}greentint 20.322,-8.796,27.318 {"}greentint 20.089,-8.680,27.323 {"}greentint 20.953,-8.366,27.495 {"}greentint 20.773,-8.552,27.487 {"}greentint 20.524,-8.623,27.484 {"}greentint 20.273,-8.560,27.487 {"}greentint 20.645,-8.352,27.596 {"}greentint 20.386,-8.352,27.596 {"}greentint 19.751,-5.764,26.891 {"}greentint 19.988,-5.685,26.895 {"}greentint 20.238,-5.667,26.895 {"}greentint 19.501,-5.994,27.140 {"}greentint 19.701,-5.841,27.147 {"}greentint 20.184,-5.711,27.152 {"}greentint 20.434,-5.744,27.151 {"}greentint 20.717,-6.005,27.381 {"}greentint 21.693,-7.594,24.928 {"}greentint 21.685,-7.094,24.950 {"}greentint 21.756,-7.343,24.939 {"}greentint 21.915,-7.613,25.086 {"}greentint 21.778,-7.834,25.077 {"}greentint 21.778,-6.882,25.118 {"}greentint 21.915,-7.103,25.108 {"}greentint 21.963,-7.358,25.097 {"}greentint 22.086,-7.614,25.293 {"}greentint 21.976,-7.848,25.283 {"}greentint 21.802,-8.039,25.275 {"}greentint 21.789,-6.686,25.334 {"}greentint 21.967,-6.873,25.326 {"}greentint 22.081,-7.104,25.316 {"}greentint 22.122,-7.359,25.305 {"}greentint 22.189,-7.628,25.534 {"}greentint 22.092,-7.860,25.524 {"}greentint 21.939,-8.060,25.515 {"}greentint 21.939,-6.695,25.575 {"}greentint 22.092,-6.895,25.566 {"}greentint 22.189,-7.128,25.556 {"}greentint 22.222,-7.378,25.545 {"}greentint 22.226,-7.630,25.793 {"}greentint 22.136,-7.863,25.783 {"}greentint 22.128,-6.901,25.825 {"}greentint 22.222,-7.133,25.815 {"}greentint 22.256,-7.381,25.804 {"}greentint 22.189,-7.650,26.051 {"}greentint 22.189,-7.151,26.073 {"}greentint 22.222,-7.400,26.062 { H? HOH61 }greentint 28.232,-6.565,25.659 {"}greentint 27.999,-6.662,25.654 {"}greentint 27.749,-6.695,25.653 {"}greentint 27.499,-6.662,25.654 {"}greentint 27.266,-6.565,25.659 {"}greentint 28.292,-6.580,25.917 {"}greentint 28.066,-6.689,25.912 {"}greentint 27.820,-6.737,25.910 {"}greentint 27.570,-6.724,25.911 {"}greentint 27.331,-6.648,25.914 {"}greentint 27.118,-6.516,25.920 {"}greentint 28.432,-6.435,26.182 {"}greentint 28.232,-6.588,26.176 {"}greentint 27.999,-6.684,26.172 {"}greentint 27.749,-6.717,26.170 {"}greentint 27.499,-6.684,26.172 {"}greentint 27.266,-6.588,26.176 {"}greentint 27.066,-6.435,26.182 {"}greentint 28.295,-6.434,26.424 {"}greentint 28.073,-6.565,26.418 {"}greentint 27.822,-6.625,26.416 {"}greentint 27.564,-6.608,26.416 {"}greentint 27.323,-6.516,26.420 {"}greentint 27.120,-6.357,26.427 {"}greentint 28.272,-6.248,26.639 {"}greentint 28.064,-6.404,26.632 {"}greentint 27.814,-6.475,26.629 {"}greentint 27.556,-6.451,26.630 {"}greentint 27.323,-6.335,26.635 {"}greentint 27.148,-6.144,26.644 {"}greentint 28.006,-6.207,26.800 {"}greentint 27.757,-6.278,26.797 {"}greentint 27.506,-6.215,26.800 { O HOH61 }greentint 27.778,-4.881,24.259 {"}greentint 27.914,-5.100,24.274 {"}greentint 27.657,-5.109,24.273 {"}greentint 27.899,-4.655,24.293 {"}greentint 28.035,-4.873,24.284 {"}greentint 28.216,-5.138,24.343 {"}greentint 28.031,-5.323,24.335 {"}greentint 27.778,-5.390,24.332 {"}greentint 28.284,-4.885,24.354 @group {ref} dominant nobutton off @vectorlist {drawn} answer { hg ser c 45 B28.64}P 17.780 0.179 23.069 { o6 g b 36 }16.902 0.419 23.055 {2h6 a a 4 B14.25}P 21.730 -1.599 26.413 { oe1 gln c 44 }22.439 -2.116 25.386 {1he2 gln c 44 B20.33}P 21.385 -4.355 26.071 { n7 a a 4 }20.616 -3.986 27.418 {1he2 gln c 33 B14.49}P 22.087 -9.484 26.529 { o1p a a 4 }21.195 -9.545 27.325 {1hd2 asn c 52 B17.19}P 19.742 -9.987 26.727 { o1p a a 4 }20.589 -9.678 27.361 {1hz lys c 19 B14.41}P 20.497 -12.138 28.877 { o2p a a 4 }20.619 -11.198 29.545 { hh tyr c 22 B20.08}P 27.669 -10.108 26.184 { o2p t a 3 }27.589 -9.913 27.108 { h gln c 33 B18.29}P 27.685 -7.547 25.195 { o1p t a 3 }27.687 -7.462 26.179 {2he2 gln c 44 B20.33}P 22.779 -5.804 24.905 { oe1 gln c 33 B17.84}22.914 -6.943 25.008 {2hz lys c 19 B14.41}P 19.032 -12.815 27.429 { od1 asn c 52 B20.07}18.383 -12.381 27.062